make[1]: Entering directory `/projects/compbio/experiments/protein-predict/casp7/T0312' /projects/compbio/experiments/protein-predict/casp7/starter-directory/Make.main:725: SECONDARY_TARGET = T0312.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/T0312.} ;\ 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/T0312/ -e s/START_COL/1/ \ -e s/COSTFCN/anglevector/ \ -e s/_domain// \ -e s/read-pdb/read-pdb+servers/ \ -e s/REAL_PDB/2h6lA/ \ < /projects/compbio/experiments/protein-predict/casp7/starter-directory/evaluate.under \ | nice -2 /cse/grads/jarchie/projects/cvs/karplus/undertaker/undertaker # command:# Seed set to 1182808977 # 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= 7.213 sec, elapsed time= 7.268 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= 7.296 sec, elapsed time= 7.368 sec. # command:# Prefix for input files set to # command:# Making conformation for sequence T0312 numbered 1 through 146 Created new target T0312 from T0312.a2m # command:# command:# No conformations to remove in PopConform # command:# cleared Id set # command:# command:2h6lA expands to /projects/compbio/data/pdb/2h6l.pdb.gz 2h6lA:Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Read 140 residues and 1114 atoms. # WARNING: incomplete conformation T0312 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= 10.293 sec, elapsed time= 10.461 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 142 # 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 = -42.321 # GDT_score(maxd=8.000,maxw=2.900)= -42.672 # GDT_score(maxd=8.000,maxw=3.200)= -40.918 # GDT_score(maxd=8.000,maxw=3.500)= -39.099 # GDT_score(maxd=10.000,maxw=3.800)= -42.002 # GDT_score(maxd=10.000,maxw=4.000)= -40.743 # GDT_score(maxd=10.000,maxw=4.200)= -39.478 # GDT_score(maxd=12.000,maxw=4.300)= -43.165 # GDT_score(maxd=12.000,maxw=4.500)= -41.844 # GDT_score(maxd=12.000,maxw=4.700)= -40.534 # GDT_score(maxd=14.000,maxw=5.200)= -40.988 # GDT_score(maxd=14.000,maxw=5.500)= -39.201 # command:# Prefix for output files set to # command:Warning: Couldn't open file T0312.model1-real.pdb for output Error: Couldn't open file T0312.model1-real.pdb for output superimposing iter= 0 total_weight= 1674 rmsd (weighted)= 10.0857 (unweighted)= 28.8467 superimposing iter= 1 total_weight= 2651.69 rmsd (weighted)= 6.13416 (unweighted)= 28.7474 superimposing iter= 2 total_weight= 1540.93 rmsd (weighted)= 5.02148 (unweighted)= 28.7561 superimposing iter= 3 total_weight= 1521.07 rmsd (weighted)= 4.13392 (unweighted)= 28.8252 superimposing iter= 4 total_weight= 1701.67 rmsd (weighted)= 3.21778 (unweighted)= 28.9016 superimposing iter= 5 total_weight= 1784.69 rmsd (weighted)= 2.46197 (unweighted)= 28.9518 EXPDTA model1.ts-submitted MODEL 1 REMARK 44 REMARK 44 model 1 is called model1.ts-submitted ATOM 1 N MET A 1 52.445 10.715 28.025 1.00 0.00 ATOM 2 CA MET A 1 51.786 9.482 28.456 1.00 0.00 ATOM 3 CB MET A 1 52.691 8.280 28.194 1.00 0.00 ATOM 4 CG MET A 1 52.912 7.968 26.721 1.00 0.00 ATOM 5 SD MET A 1 53.977 6.534 26.466 1.00 0.00 ATOM 6 CE MET A 1 52.894 5.210 26.994 1.00 0.00 ATOM 7 O MET A 1 52.126 10.523 30.546 1.00 0.00 ATOM 8 C MET A 1 51.479 9.702 29.919 1.00 0.00 ATOM 9 N LYS A 2 50.386 9.108 30.370 1.00 0.00 ATOM 10 CA LYS A 2 49.975 9.251 31.783 1.00 0.00 ATOM 11 CB LYS A 2 48.616 8.588 32.014 1.00 0.00 ATOM 12 CG LYS A 2 48.090 8.713 33.439 1.00 0.00 ATOM 13 CD LYS A 2 46.708 8.089 33.574 1.00 0.00 ATOM 14 CE LYS A 2 46.199 8.179 35.005 1.00 0.00 ATOM 15 NZ LYS A 2 44.861 7.544 35.160 1.00 0.00 ATOM 16 O LYS A 2 51.603 9.355 33.528 1.00 0.00 ATOM 17 C LYS A 2 51.036 8.646 32.721 1.00 0.00 ATOM 18 N VAL A 3 51.408 7.398 32.448 1.00 0.00 ATOM 19 CA VAL A 3 52.471 6.731 33.235 1.00 0.00 ATOM 20 CB VAL A 3 52.508 5.226 32.945 1.00 0.00 ATOM 21 CG1 VAL A 3 53.725 4.533 33.570 1.00 0.00 ATOM 22 CG2 VAL A 3 51.277 4.609 33.568 1.00 0.00 ATOM 23 O VAL A 3 54.657 7.434 33.954 1.00 0.00 ATOM 24 C VAL A 3 53.851 7.384 33.039 1.00 0.00 ATOM 25 N PHE A 4 54.128 7.734 31.789 1.00 0.00 ATOM 26 CA PHE A 4 55.400 8.384 31.443 1.00 0.00 ATOM 27 CB PHE A 4 56.161 7.552 30.410 1.00 0.00 ATOM 28 CG PHE A 4 56.415 6.136 30.840 1.00 0.00 ATOM 29 CD1 PHE A 4 55.423 5.173 30.726 1.00 0.00 ATOM 30 CD2 PHE A 4 57.645 5.763 31.359 1.00 0.00 ATOM 31 CE1 PHE A 4 55.656 3.869 31.122 1.00 0.00 ATOM 32 CE2 PHE A 4 57.882 4.460 31.754 1.00 0.00 ATOM 33 CZ PHE A 4 56.885 3.512 31.637 1.00 0.00 ATOM 34 O PHE A 4 54.671 9.963 29.770 1.00 0.00 ATOM 35 C PHE A 4 55.054 9.768 30.935 1.00 0.00 ATOM 36 N GLU A 5 54.910 10.661 31.898 1.00 0.00 ATOM 37 CA GLU A 5 54.584 12.055 31.573 1.00 0.00 ATOM 38 CB GLU A 5 54.414 12.883 32.842 1.00 0.00 ATOM 39 CG GLU A 5 53.292 12.384 33.760 1.00 0.00 ATOM 40 CD GLU A 5 53.183 13.259 35.006 1.00 0.00 ATOM 41 OE1 GLU A 5 54.022 14.175 35.168 1.00 0.00 ATOM 42 OE2 GLU A 5 52.193 13.053 35.737 1.00 0.00 ATOM 43 O GLU A 5 56.850 12.260 30.723 1.00 0.00 ATOM 44 C GLU A 5 55.689 12.649 30.684 1.00 0.00 ATOM 45 N PHE A 6 55.202 13.202 29.595 1.00 0.00 ATOM 46 CA PHE A 6 56.046 13.804 28.562 1.00 0.00 ATOM 47 CB PHE A 6 55.540 13.424 27.168 1.00 0.00 ATOM 48 CG PHE A 6 55.785 11.988 26.808 1.00 0.00 ATOM 49 CD1 PHE A 6 56.523 11.162 27.643 1.00 0.00 ATOM 50 CD2 PHE A 6 55.278 11.457 25.630 1.00 0.00 ATOM 51 CE1 PHE A 6 56.749 9.839 27.310 1.00 0.00 ATOM 52 CE2 PHE A 6 55.502 10.136 25.295 1.00 0.00 ATOM 53 CZ PHE A 6 56.238 9.327 26.136 1.00 0.00 ATOM 54 O PHE A 6 55.126 16.021 28.411 1.00 0.00 ATOM 55 C PHE A 6 56.119 15.329 28.675 1.00 0.00 ATOM 56 N GLU A 7 57.332 15.812 28.844 1.00 0.00 ATOM 57 CA GLU A 7 57.578 17.230 28.555 1.00 0.00 ATOM 58 CB GLU A 7 57.735 18.166 29.751 1.00 0.00 ATOM 59 CG GLU A 7 56.344 18.740 30.043 1.00 0.00 ATOM 60 CD GLU A 7 56.269 19.776 31.166 1.00 0.00 ATOM 61 OE1 GLU A 7 55.440 20.697 30.989 1.00 0.00 ATOM 62 OE2 GLU A 7 56.941 19.574 32.201 1.00 0.00 ATOM 63 O GLU A 7 59.706 17.166 27.379 1.00 0.00 ATOM 64 C GLU A 7 58.538 17.507 27.419 1.00 0.00 ATOM 65 N VAL A 8 57.862 17.928 26.376 1.00 0.00 ATOM 66 CA VAL A 8 58.545 18.231 25.109 1.00 0.00 ATOM 67 CB VAL A 8 57.480 18.632 24.099 1.00 0.00 ATOM 68 CG1 VAL A 8 56.726 19.917 24.482 1.00 0.00 ATOM 69 CG2 VAL A 8 58.108 18.681 22.721 1.00 0.00 ATOM 70 O VAL A 8 59.523 20.381 25.730 1.00 0.00 ATOM 71 C VAL A 8 59.689 19.258 25.266 1.00 0.00 ATOM 72 N GLY A 9 60.820 18.855 24.713 1.00 0.00 ATOM 73 CA GLY A 9 62.049 19.675 24.624 1.00 0.00 ATOM 74 O GLY A 9 62.870 21.341 23.084 1.00 0.00 ATOM 75 C GLY A 9 62.142 20.378 23.261 1.00 0.00 ATOM 76 N LYS A 10 61.460 19.800 22.268 1.00 0.00 ATOM 77 CA LYS A 10 61.327 20.392 20.928 1.00 0.00 ATOM 78 CB LYS A 10 62.489 19.960 20.034 1.00 0.00 ATOM 79 CG LYS A 10 62.469 20.568 18.637 1.00 0.00 ATOM 80 CD LYS A 10 62.875 22.034 18.667 1.00 0.00 ATOM 81 CE LYS A 10 62.797 22.659 17.282 1.00 0.00 ATOM 82 NZ LYS A 10 62.991 24.134 17.324 1.00 0.00 ATOM 83 O LYS A 10 59.636 18.819 20.279 1.00 0.00 ATOM 84 C LYS A 10 59.989 19.998 20.296 1.00 0.00 ATOM 85 N GLY A 11 59.434 20.980 19.607 1.00 0.00 ATOM 86 CA GLY A 11 58.198 20.843 18.815 1.00 0.00 ATOM 87 O GLY A 11 59.390 22.091 17.169 1.00 0.00 ATOM 88 C GLY A 11 58.512 21.245 17.372 1.00 0.00 ATOM 89 N PHE A 12 58.094 20.404 16.435 1.00 0.00 ATOM 90 CA PHE A 12 58.214 20.712 14.995 1.00 0.00 ATOM 91 CB PHE A 12 59.604 20.376 14.441 1.00 0.00 ATOM 92 CG PHE A 12 59.945 18.890 14.499 1.00 0.00 ATOM 93 CD1 PHE A 12 59.675 18.077 13.402 1.00 0.00 ATOM 94 CD2 PHE A 12 60.506 18.340 15.647 1.00 0.00 ATOM 95 CE1 PHE A 12 59.954 16.722 13.447 1.00 0.00 ATOM 96 CE2 PHE A 12 60.795 16.983 15.684 1.00 0.00 ATOM 97 CZ PHE A 12 60.523 16.172 14.595 1.00 0.00 ATOM 98 O PHE A 12 56.645 18.955 14.474 1.00 0.00 ATOM 99 C PHE A 12 57.117 20.048 14.159 1.00 0.00 ATOM 100 N LEU A 13 56.754 20.729 13.084 1.00 0.00 ATOM 101 CA LEU A 13 55.697 20.239 12.187 1.00 0.00 ATOM 102 CB LEU A 13 54.911 21.417 11.601 1.00 0.00 ATOM 103 CG LEU A 13 54.210 22.312 12.632 1.00 0.00 ATOM 104 CD1 LEU A 13 53.536 23.484 11.933 1.00 0.00 ATOM 105 CD2 LEU A 13 53.194 21.491 13.411 1.00 0.00 ATOM 106 O LEU A 13 57.362 19.637 10.566 1.00 0.00 ATOM 107 C LEU A 13 56.274 19.379 11.068 1.00 0.00 ATOM 108 N LEU A 14 55.380 18.532 10.592 1.00 0.00 ATOM 109 CA LEU A 14 55.643 17.590 9.497 1.00 0.00 ATOM 110 CB LEU A 14 56.053 16.224 10.062 1.00 0.00 ATOM 111 CG LEU A 14 56.482 15.187 9.016 1.00 0.00 ATOM 112 CD1 LEU A 14 57.778 15.626 8.347 1.00 0.00 ATOM 113 CD2 LEU A 14 56.650 13.831 9.683 1.00 0.00 ATOM 114 O LEU A 14 53.290 17.285 9.074 1.00 0.00 ATOM 115 C LEU A 14 54.414 17.459 8.597 1.00 0.00 ATOM 116 N ARG A 15 54.648 17.544 7.297 1.00 0.00 ATOM 117 CA ARG A 15 53.583 17.259 6.320 1.00 0.00 ATOM 118 CB ARG A 15 52.993 18.528 5.724 1.00 0.00 ATOM 119 CG ARG A 15 52.332 19.459 6.728 1.00 0.00 ATOM 120 CD ARG A 15 51.797 20.714 6.139 1.00 0.00 ATOM 121 NE ARG A 15 52.815 21.654 5.698 1.00 0.00 ATOM 122 CZ ARG A 15 52.560 22.821 5.075 1.00 0.00 ATOM 123 NH1 ARG A 15 51.329 23.178 4.784 1.00 0.00 ATOM 124 NH2 ARG A 15 53.584 23.587 4.742 1.00 0.00 ATOM 125 O ARG A 15 55.276 16.055 5.160 1.00 0.00 ATOM 126 C ARG A 15 54.083 16.298 5.228 1.00 0.00 ATOM 127 N LEU A 16 53.144 15.802 4.423 1.00 0.00 ATOM 128 CA LEU A 16 53.382 14.835 3.320 1.00 0.00 ATOM 129 CB LEU A 16 53.175 15.582 2.010 1.00 0.00 ATOM 130 CG LEU A 16 51.760 16.149 1.850 1.00 0.00 ATOM 131 CD1 LEU A 16 51.749 17.081 0.647 1.00 0.00 ATOM 132 CD2 LEU A 16 50.707 15.034 1.761 1.00 0.00 ATOM 133 O LEU A 16 55.677 14.554 2.627 1.00 0.00 ATOM 134 C LEU A 16 54.765 14.133 3.338 1.00 0.00 ATOM 135 N ASP A 17 54.897 13.153 4.226 1.00 0.00 ATOM 136 CA ASP A 17 56.190 12.511 4.494 1.00 0.00 ATOM 137 CB ASP A 17 56.927 13.300 5.568 1.00 0.00 ATOM 138 CG ASP A 17 58.388 12.924 5.752 1.00 0.00 ATOM 139 OD1 ASP A 17 59.152 13.303 4.852 1.00 0.00 ATOM 140 OD2 ASP A 17 58.712 12.391 6.833 1.00 0.00 ATOM 141 O ASP A 17 55.385 10.717 5.907 1.00 0.00 ATOM 142 C ASP A 17 56.100 11.059 4.966 1.00 0.00 ATOM 143 N TYR A 18 56.850 10.237 4.236 1.00 0.00 ATOM 144 CA TYR A 18 57.113 8.835 4.582 1.00 0.00 ATOM 145 CB TYR A 18 58.118 8.222 3.588 1.00 0.00 ATOM 146 CG TYR A 18 57.531 8.041 2.193 1.00 0.00 ATOM 147 CD1 TYR A 18 57.895 8.906 1.168 1.00 0.00 ATOM 148 CD2 TYR A 18 56.666 6.990 1.920 1.00 0.00 ATOM 149 CE1 TYR A 18 57.403 8.714 -0.117 1.00 0.00 ATOM 150 CE2 TYR A 18 56.173 6.798 0.635 1.00 0.00 ATOM 151 CZ TYR A 18 56.537 7.663 -0.391 1.00 0.00 ATOM 152 OH TYR A 18 56.083 7.451 -1.652 1.00 0.00 ATOM 153 O TYR A 18 58.354 9.414 6.604 1.00 0.00 ATOM 154 C TYR A 18 57.638 8.612 6.011 1.00 0.00 ATOM 155 N GLY A 19 57.563 7.341 6.394 1.00 0.00 ATOM 156 CA GLY A 19 57.982 6.848 7.730 1.00 0.00 ATOM 157 O GLY A 19 59.974 7.605 8.883 1.00 0.00 ATOM 158 C GLY A 19 59.493 7.024 7.912 1.00 0.00 ATOM 159 N LYS A 20 60.188 6.662 6.835 1.00 0.00 ATOM 160 CA LYS A 20 61.659 6.745 6.718 1.00 0.00 ATOM 161 CB LYS A 20 62.124 6.155 5.385 1.00 0.00 ATOM 162 CG LYS A 20 63.635 6.156 5.190 1.00 0.00 ATOM 163 CD LYS A 20 64.024 5.489 3.880 1.00 0.00 ATOM 164 CE LYS A 20 65.529 5.526 3.664 1.00 0.00 ATOM 165 NZ LYS A 20 65.923 4.899 2.373 1.00 0.00 ATOM 166 O LYS A 20 63.109 8.436 7.622 1.00 0.00 ATOM 167 C LYS A 20 62.188 8.183 6.847 1.00 0.00 ATOM 168 N ASP A 21 61.549 9.083 6.115 1.00 0.00 ATOM 169 CA ASP A 21 61.902 10.510 6.146 1.00 0.00 ATOM 170 CB ASP A 21 61.151 11.294 5.064 1.00 0.00 ATOM 171 CG ASP A 21 61.568 10.998 3.606 1.00 0.00 ATOM 172 OD1 ASP A 21 62.674 10.435 3.423 1.00 0.00 ATOM 173 OD2 ASP A 21 60.798 11.290 2.662 1.00 0.00 ATOM 174 O ASP A 21 62.700 11.651 8.116 1.00 0.00 ATOM 175 C ASP A 21 61.734 11.164 7.527 1.00 0.00 ATOM 176 N LEU A 22 60.655 10.759 8.187 1.00 0.00 ATOM 177 CA LEU A 22 60.347 11.247 9.541 1.00 0.00 ATOM 178 CB LEU A 22 58.924 10.837 9.940 1.00 0.00 ATOM 179 CG LEU A 22 58.484 11.289 11.338 1.00 0.00 ATOM 180 CD1 LEU A 22 56.999 11.010 11.534 1.00 0.00 ATOM 181 CD2 LEU A 22 59.312 10.567 12.392 1.00 0.00 ATOM 182 O LEU A 22 61.862 11.458 11.398 1.00 0.00 ATOM 183 C LEU A 22 61.365 10.721 10.561 1.00 0.00 ATOM 184 N VAL A 23 61.712 9.452 10.387 1.00 0.00 ATOM 185 CA VAL A 23 62.722 8.795 11.245 1.00 0.00 ATOM 186 CB VAL A 23 62.844 7.294 10.924 1.00 0.00 ATOM 187 CG1 VAL A 23 64.017 6.683 11.677 1.00 0.00 ATOM 188 CG2 VAL A 23 61.554 6.568 11.274 1.00 0.00 ATOM 189 O VAL A 23 64.720 9.786 12.087 1.00 0.00 ATOM 190 C VAL A 23 64.093 9.453 11.089 1.00 0.00 ATOM 191 N ARG A 24 64.470 9.725 9.843 1.00 0.00 ATOM 192 CA ARG A 24 65.733 10.440 9.569 1.00 0.00 ATOM 193 CB ARG A 24 66.028 10.534 8.080 1.00 0.00 ATOM 194 CG ARG A 24 66.403 9.216 7.420 1.00 0.00 ATOM 195 CD ARG A 24 66.576 9.297 5.946 1.00 0.00 ATOM 196 NE ARG A 24 67.684 10.132 5.514 1.00 0.00 ATOM 197 CZ ARG A 24 67.885 10.540 4.246 1.00 0.00 ATOM 198 NH1 ARG A 24 67.080 10.165 3.278 1.00 0.00 ATOM 199 NH2 ARG A 24 68.932 11.311 3.997 1.00 0.00 ATOM 200 O ARG A 24 66.727 12.193 10.884 1.00 0.00 ATOM 201 C ARG A 24 65.747 11.831 10.229 1.00 0.00 ATOM 202 N GLN A 25 64.577 12.475 10.255 1.00 0.00 ATOM 203 CA GLN A 25 64.387 13.772 10.925 1.00 0.00 ATOM 204 CB GLN A 25 62.993 14.330 10.625 1.00 0.00 ATOM 205 CG GLN A 25 62.735 15.708 11.212 1.00 0.00 ATOM 206 CD GLN A 25 63.644 16.768 10.620 1.00 0.00 ATOM 207 OE1 GLN A 25 63.829 16.838 9.402 1.00 0.00 ATOM 208 NE2 GLN A 25 64.220 17.600 11.481 1.00 0.00 ATOM 209 O GLN A 25 65.301 14.447 13.062 1.00 0.00 ATOM 210 C GLN A 25 64.575 13.669 12.449 1.00 0.00 ATOM 211 N ILE A 26 63.904 12.679 13.032 1.00 0.00 ATOM 212 CA ILE A 26 63.997 12.363 14.477 1.00 0.00 ATOM 213 CB ILE A 26 63.109 11.163 14.853 1.00 0.00 ATOM 214 CG1 ILE A 26 61.629 11.549 14.770 1.00 0.00 ATOM 215 CG2 ILE A 26 63.453 10.661 16.246 1.00 0.00 ATOM 216 CD1 ILE A 26 61.229 12.645 15.730 1.00 0.00 ATOM 217 O ILE A 26 65.957 12.624 15.853 1.00 0.00 ATOM 218 C ILE A 26 65.453 12.062 14.881 1.00 0.00 ATOM 219 N GLU A 27 66.086 11.200 14.085 1.00 0.00 ATOM 220 CA GLU A 27 67.472 10.765 14.326 1.00 0.00 ATOM 221 CB GLU A 27 67.863 9.660 13.344 1.00 0.00 ATOM 222 CG GLU A 27 67.173 8.325 13.590 1.00 0.00 ATOM 223 CD GLU A 27 67.517 7.327 12.521 1.00 0.00 ATOM 224 OE1 GLU A 27 68.203 7.688 11.594 1.00 0.00 ATOM 225 OE2 GLU A 27 67.188 6.175 12.684 1.00 0.00 ATOM 226 O GLU A 27 69.281 12.135 15.132 1.00 0.00 ATOM 227 C GLU A 27 68.482 11.917 14.221 1.00 0.00 ATOM 228 N GLU A 28 68.232 12.800 13.254 1.00 0.00 ATOM 229 CA GLU A 28 69.063 14.007 13.028 1.00 0.00 ATOM 230 CB GLU A 28 68.640 14.716 11.740 1.00 0.00 ATOM 231 CG GLU A 28 69.477 15.938 11.391 1.00 0.00 ATOM 232 CD GLU A 28 69.033 16.553 10.093 1.00 0.00 ATOM 233 OE1 GLU A 28 68.120 16.036 9.495 1.00 0.00 ATOM 234 OE2 GLU A 28 69.529 17.602 9.754 1.00 0.00 ATOM 235 O GLU A 28 70.006 15.403 14.761 1.00 0.00 ATOM 236 C GLU A 28 68.983 14.990 14.212 1.00 0.00 ATOM 237 N PHE A 29 67.763 15.213 14.688 1.00 0.00 ATOM 238 CA PHE A 29 67.486 16.065 15.862 1.00 0.00 ATOM 239 CB PHE A 29 65.962 16.092 16.092 1.00 0.00 ATOM 240 CG PHE A 29 65.587 16.802 17.390 1.00 0.00 ATOM 241 CD1 PHE A 29 65.555 18.183 17.443 1.00 0.00 ATOM 242 CD2 PHE A 29 65.369 16.066 18.555 1.00 0.00 ATOM 243 CE1 PHE A 29 65.336 18.825 18.645 1.00 0.00 ATOM 244 CE2 PHE A 29 65.129 16.710 19.763 1.00 0.00 ATOM 245 CZ PHE A 29 65.118 18.099 19.805 1.00 0.00 ATOM 246 O PHE A 29 68.886 16.334 17.816 1.00 0.00 ATOM 247 C PHE A 29 68.227 15.568 17.105 1.00 0.00 ATOM 248 N LEU A 30 68.123 14.260 17.322 1.00 0.00 ATOM 249 CA LEU A 30 68.795 13.570 18.443 1.00 0.00 ATOM 250 CB LEU A 30 68.371 12.094 18.498 1.00 0.00 ATOM 251 CG LEU A 30 66.879 11.889 18.759 1.00 0.00 ATOM 252 CD1 LEU A 30 66.550 10.406 18.622 1.00 0.00 ATOM 253 CD2 LEU A 30 66.463 12.391 20.138 1.00 0.00 ATOM 254 O LEU A 30 70.982 13.995 19.340 1.00 0.00 ATOM 255 C LEU A 30 70.321 13.646 18.361 1.00 0.00 ATOM 256 N GLU A 31 70.846 13.464 17.156 1.00 0.00 ATOM 257 CA GLU A 31 72.303 13.536 16.890 1.00 0.00 ATOM 258 CB GLU A 31 72.612 13.046 15.473 1.00 0.00 ATOM 259 CG GLU A 31 72.425 11.549 15.271 1.00 0.00 ATOM 260 CD GLU A 31 72.626 11.163 13.832 1.00 0.00 ATOM 261 OE1 GLU A 31 72.829 12.038 13.025 1.00 0.00 ATOM 262 OE2 GLU A 31 72.688 9.988 13.556 1.00 0.00 ATOM 263 O GLU A 31 73.821 15.174 17.783 1.00 0.00 ATOM 264 C GLU A 31 72.843 14.963 17.078 1.00 0.00 ATOM 265 N GLU A 32 72.059 15.933 16.604 1.00 0.00 ATOM 266 CA GLU A 32 72.397 17.366 16.718 1.00 0.00 ATOM 267 CB GLU A 32 71.388 18.219 15.944 1.00 0.00 ATOM 268 CG GLU A 32 71.489 18.093 14.430 1.00 0.00 ATOM 269 CD GLU A 32 70.408 18.881 13.744 1.00 0.00 ATOM 270 OE1 GLU A 32 69.583 19.440 14.426 1.00 0.00 ATOM 271 OE2 GLU A 32 70.471 19.019 12.545 1.00 0.00 ATOM 272 O GLU A 32 73.301 18.490 18.682 1.00 0.00 ATOM 273 C GLU A 32 72.443 17.790 18.197 1.00 0.00 ATOM 274 N LYS A 33 71.640 17.148 19.014 1.00 0.00 ATOM 275 CA LYS A 33 71.644 17.477 20.442 1.00 0.00 ATOM 276 CB LYS A 33 70.203 17.453 20.943 1.00 0.00 ATOM 277 CG LYS A 33 69.228 18.360 20.192 1.00 0.00 ATOM 278 CD LYS A 33 69.661 19.783 20.414 1.00 0.00 ATOM 279 CE LYS A 33 68.871 20.673 19.492 1.00 0.00 ATOM 280 NZ LYS A 33 69.391 22.016 19.683 1.00 0.00 ATOM 281 O LYS A 33 72.836 16.817 22.434 1.00 0.00 ATOM 282 C LYS A 33 72.564 16.563 21.270 1.00 0.00 ATOM 283 N GLY A 34 73.097 15.520 20.641 1.00 0.00 ATOM 284 CA GLY A 34 73.918 14.512 21.340 1.00 0.00 ATOM 285 O GLY A 34 73.495 13.696 23.572 1.00 0.00 ATOM 286 C GLY A 34 73.105 13.763 22.406 1.00 0.00 ATOM 287 N ILE A 35 72.016 13.149 21.961 1.00 0.00 ATOM 288 CA ILE A 35 70.972 12.599 22.871 1.00 0.00 ATOM 289 CB ILE A 35 69.562 12.957 22.349 1.00 0.00 ATOM 290 CG1 ILE A 35 69.371 14.454 22.115 1.00 0.00 ATOM 291 CG2 ILE A 35 68.408 12.493 23.249 1.00 0.00 ATOM 292 CD1 ILE A 35 69.537 15.335 23.362 1.00 0.00 ATOM 293 O ILE A 35 71.163 10.255 22.299 1.00 0.00 ATOM 294 C ILE A 35 70.997 11.090 23.191 1.00 0.00 ATOM 295 N HIS A 36 70.621 10.791 24.446 1.00 0.00 ATOM 296 CA HIS A 36 70.255 9.439 24.914 1.00 0.00 ATOM 297 CB HIS A 36 70.289 9.367 26.444 1.00 0.00 ATOM 298 CG HIS A 36 71.592 9.803 27.038 1.00 0.00 ATOM 299 CD2 HIS A 36 71.927 10.913 27.737 1.00 0.00 ATOM 300 ND1 HIS A 36 72.744 9.050 26.941 1.00 0.00 ATOM 301 CE1 HIS A 36 73.731 9.680 27.555 1.00 0.00 ATOM 302 NE2 HIS A 36 73.261 10.811 28.045 1.00 0.00 ATOM 303 O HIS A 36 68.257 9.651 23.566 1.00 0.00 ATOM 304 C HIS A 36 68.860 8.991 24.416 1.00 0.00 ATOM 305 N ALA A 37 68.293 7.975 25.062 1.00 0.00 ATOM 306 CA ALA A 37 66.887 7.577 24.836 1.00 0.00 ATOM 307 CB ALA A 37 66.409 6.614 25.934 1.00 0.00 ATOM 308 O ALA A 37 66.288 9.823 25.525 1.00 0.00 ATOM 309 C ALA A 37 65.994 8.820 24.871 1.00 0.00 ATOM 310 N ALA A 38 64.947 8.741 24.066 1.00 0.00 ATOM 311 CA ALA A 38 64.025 9.872 23.866 1.00 0.00 ATOM 312 CB ALA A 38 64.527 10.770 22.728 1.00 0.00 ATOM 313 O ALA A 38 62.428 8.224 23.141 1.00 0.00 ATOM 314 C ALA A 38 62.627 9.368 23.546 1.00 0.00 ATOM 315 N HIS A 39 61.674 10.211 23.905 1.00 0.00 ATOM 316 CA HIS A 39 60.256 9.971 23.581 1.00 0.00 ATOM 317 CB HIS A 39 59.388 10.067 24.839 1.00 0.00 ATOM 318 CG HIS A 39 59.479 8.864 25.726 1.00 0.00 ATOM 319 CD2 HIS A 39 60.227 8.625 26.829 1.00 0.00 ATOM 320 ND1 HIS A 39 58.734 7.724 25.514 1.00 0.00 ATOM 321 CE1 HIS A 39 59.021 6.834 26.447 1.00 0.00 ATOM 322 NE2 HIS A 39 59.922 7.355 27.257 1.00 0.00 ATOM 323 O HIS A 39 60.107 12.120 22.495 1.00 0.00 ATOM 324 C HIS A 39 59.744 10.947 22.528 1.00 0.00 ATOM 325 N ILE A 40 58.926 10.366 21.668 1.00 0.00 ATOM 326 CA ILE A 40 58.281 11.073 20.559 1.00 0.00 ATOM 327 CB ILE A 40 58.786 10.597 19.179 1.00 0.00 ATOM 328 CG1 ILE A 40 60.206 11.098 18.903 1.00 0.00 ATOM 329 CG2 ILE A 40 57.886 10.985 17.982 1.00 0.00 ATOM 330 CD1 ILE A 40 61.314 10.317 19.628 1.00 0.00 ATOM 331 O ILE A 40 56.184 9.928 20.982 1.00 0.00 ATOM 332 C ILE A 40 56.760 10.978 20.680 1.00 0.00 ATOM 333 N SER A 41 56.193 12.113 20.315 1.00 0.00 ATOM 334 CA SER A 41 54.755 12.256 20.096 1.00 0.00 ATOM 335 CB SER A 41 54.122 13.005 21.252 1.00 0.00 ATOM 336 OG SER A 41 52.723 12.980 21.193 1.00 0.00 ATOM 337 O SER A 41 54.991 14.064 18.538 1.00 0.00 ATOM 338 C SER A 41 54.483 12.973 18.770 1.00 0.00 ATOM 339 N ALA A 42 53.898 12.242 17.838 1.00 0.00 ATOM 340 CA ALA A 42 53.478 12.841 16.564 1.00 0.00 ATOM 341 CB ALA A 42 54.255 12.296 15.371 1.00 0.00 ATOM 342 O ALA A 42 51.387 11.624 16.465 1.00 0.00 ATOM 343 C ALA A 42 51.961 12.708 16.387 1.00 0.00 ATOM 344 N ILE A 43 51.334 13.879 16.352 1.00 0.00 ATOM 345 CA ILE A 43 49.863 14.005 16.336 1.00 0.00 ATOM 346 CB ILE A 43 49.342 14.717 17.598 1.00 0.00 ATOM 347 CG1 ILE A 43 49.773 16.186 17.597 1.00 0.00 ATOM 348 CG2 ILE A 43 49.842 14.012 18.850 1.00 0.00 ATOM 349 CD1 ILE A 43 49.143 17.007 18.698 1.00 0.00 ATOM 350 O ILE A 43 49.891 15.860 14.826 1.00 0.00 ATOM 351 C ILE A 43 49.388 14.770 15.091 1.00 0.00 ATOM 352 N GLY A 44 48.251 14.294 14.592 1.00 0.00 ATOM 353 CA GLY A 44 47.473 14.942 13.518 1.00 0.00 ATOM 354 O GLY A 44 46.536 12.822 12.885 1.00 0.00 ATOM 355 C GLY A 44 46.923 13.933 12.512 1.00 0.00 ATOM 356 N ALA A 45 46.993 14.329 11.247 1.00 0.00 ATOM 357 CA ALA A 45 46.492 13.525 10.119 1.00 0.00 ATOM 358 CB ALA A 45 45.737 14.402 9.123 1.00 0.00 ATOM 359 O ALA A 45 48.646 13.300 9.023 1.00 0.00 ATOM 360 C ALA A 45 47.609 12.752 9.417 1.00 0.00 ATOM 361 N VAL A 46 47.297 11.493 9.155 1.00 0.00 ATOM 362 CA VAL A 46 48.218 10.535 8.527 1.00 0.00 ATOM 363 CB VAL A 46 48.571 9.415 9.529 1.00 0.00 ATOM 364 CG1 VAL A 46 49.392 8.293 8.933 1.00 0.00 ATOM 365 CG2 VAL A 46 49.461 9.969 10.638 1.00 0.00 ATOM 366 O VAL A 46 46.487 9.480 7.235 1.00 0.00 ATOM 367 C VAL A 46 47.577 10.037 7.236 1.00 0.00 ATOM 368 N ARG A 47 48.285 10.306 6.146 1.00 0.00 ATOM 369 CA ARG A 47 47.925 9.829 4.811 1.00 0.00 ATOM 370 CB ARG A 47 48.878 10.344 3.743 1.00 0.00 ATOM 371 CG ARG A 47 48.533 9.922 2.322 1.00 0.00 ATOM 372 CD ARG A 47 49.284 10.651 1.269 1.00 0.00 ATOM 373 NE ARG A 47 48.922 10.284 -0.092 1.00 0.00 ATOM 374 CZ ARG A 47 49.428 9.231 -0.760 1.00 0.00 ATOM 375 NH1 ARG A 47 50.345 8.460 -0.217 1.00 0.00 ATOM 376 NH2 ARG A 47 48.998 9.006 -1.990 1.00 0.00 ATOM 377 O ARG A 47 46.854 7.809 4.181 1.00 0.00 ATOM 378 C ARG A 47 47.812 8.301 4.756 1.00 0.00 ATOM 379 N SER A 48 48.676 7.643 5.509 1.00 0.00 ATOM 380 CA SER A 48 48.742 6.171 5.558 1.00 0.00 ATOM 381 CB SER A 48 49.659 5.741 4.432 1.00 0.00 ATOM 382 OG SER A 48 49.738 4.332 4.539 1.00 0.00 ATOM 383 O SER A 48 50.425 6.153 7.248 1.00 0.00 ATOM 384 C SER A 48 49.361 5.678 6.860 1.00 0.00 ATOM 385 N ALA A 49 48.643 4.788 7.531 1.00 0.00 ATOM 386 CA ALA A 49 49.141 4.129 8.744 1.00 0.00 ATOM 387 CB ALA A 49 48.445 4.742 9.963 1.00 0.00 ATOM 388 O ALA A 49 47.880 2.135 8.312 1.00 0.00 ATOM 389 C ALA A 49 48.958 2.623 8.667 1.00 0.00 ATOM 390 N VAL A 50 50.073 1.953 8.917 1.00 0.00 ATOM 391 CA VAL A 50 50.143 0.485 8.945 1.00 0.00 ATOM 392 CB VAL A 50 51.044 -0.059 7.820 1.00 0.00 ATOM 393 CG1 VAL A 50 51.128 -1.577 7.892 1.00 0.00 ATOM 394 CG2 VAL A 50 50.525 0.380 6.460 1.00 0.00 ATOM 395 O VAL A 50 51.824 0.281 10.707 1.00 0.00 ATOM 396 C VAL A 50 50.672 0.042 10.318 1.00 0.00 ATOM 397 N ILE A 51 49.799 -0.741 10.921 1.00 0.00 ATOM 398 CA ILE A 51 50.005 -1.332 12.255 1.00 0.00 ATOM 399 CB ILE A 51 49.066 -0.704 13.301 1.00 0.00 ATOM 400 CG1 ILE A 51 47.603 -0.922 12.906 1.00 0.00 ATOM 401 CG2 ILE A 51 49.362 0.778 13.461 1.00 0.00 ATOM 402 CD1 ILE A 51 47.102 -2.325 13.167 1.00 0.00 ATOM 403 O ILE A 51 49.169 -3.356 11.268 1.00 0.00 ATOM 404 C ILE A 51 49.779 -2.837 12.190 1.00 0.00 ATOM 405 N GLY A 52 50.307 -3.515 13.190 1.00 0.00 ATOM 406 CA GLY A 52 49.829 -4.855 13.587 1.00 0.00 ATOM 407 O GLY A 52 50.468 -4.184 15.722 1.00 0.00 ATOM 408 C GLY A 52 49.592 -4.768 15.087 1.00 0.00 ATOM 409 N TYR A 53 48.367 -5.067 15.521 1.00 0.00 ATOM 410 CA TYR A 53 47.858 -5.126 16.915 1.00 0.00 ATOM 411 CB TYR A 53 48.842 -4.662 18.020 1.00 0.00 ATOM 412 CG TYR A 53 50.169 -5.436 18.049 1.00 0.00 ATOM 413 CD1 TYR A 53 50.246 -6.729 17.569 1.00 0.00 ATOM 414 CD2 TYR A 53 51.314 -4.801 18.518 1.00 0.00 ATOM 415 CE1 TYR A 53 51.443 -7.411 17.583 1.00 0.00 ATOM 416 CE2 TYR A 53 52.519 -5.478 18.543 1.00 0.00 ATOM 417 CZ TYR A 53 52.585 -6.787 18.077 1.00 0.00 ATOM 418 OH TYR A 53 53.730 -7.495 18.176 1.00 0.00 ATOM 419 O TYR A 53 45.489 -4.898 16.473 1.00 0.00 ATOM 420 C TYR A 53 46.456 -4.515 17.129 1.00 0.00 ATOM 421 N TYR A 54 46.367 -3.522 18.005 1.00 0.00 ATOM 422 CA TYR A 54 45.119 -2.919 18.511 1.00 0.00 ATOM 423 CB TYR A 54 45.465 -1.774 19.483 1.00 0.00 ATOM 424 CG TYR A 54 46.039 -2.264 20.807 1.00 0.00 ATOM 425 CD1 TYR A 54 47.400 -2.135 21.059 1.00 0.00 ATOM 426 CD2 TYR A 54 45.221 -2.823 21.777 1.00 0.00 ATOM 427 CE1 TYR A 54 47.938 -2.573 22.262 1.00 0.00 ATOM 428 CE2 TYR A 54 45.747 -3.259 22.987 1.00 0.00 ATOM 429 CZ TYR A 54 47.102 -3.137 23.219 1.00 0.00 ATOM 430 OH TYR A 54 47.611 -3.512 24.426 1.00 0.00 ATOM 431 O TYR A 54 44.477 -1.448 16.699 1.00 0.00 ATOM 432 C TYR A 54 44.169 -2.367 17.432 1.00 0.00 ATOM 433 N ASP A 55 42.924 -2.782 17.470 1.00 0.00 ATOM 434 CA ASP A 55 41.902 -2.216 16.564 1.00 0.00 ATOM 435 CB ASP A 55 42.088 -2.754 15.144 1.00 0.00 ATOM 436 CG ASP A 55 40.977 -2.368 14.175 1.00 0.00 ATOM 437 OD1 ASP A 55 40.673 -1.203 14.084 1.00 0.00 ATOM 438 OD2 ASP A 55 40.551 -3.214 13.424 1.00 0.00 ATOM 439 O ASP A 55 40.477 -3.756 17.613 1.00 0.00 ATOM 440 C ASP A 55 40.583 -2.604 17.190 1.00 0.00 ATOM 441 N GLN A 56 39.888 -1.576 17.704 1.00 0.00 ATOM 442 CA GLN A 56 38.810 -1.745 18.682 1.00 0.00 ATOM 443 CB GLN A 56 39.540 -1.651 20.018 1.00 0.00 ATOM 444 CG GLN A 56 40.414 -2.861 20.300 1.00 0.00 ATOM 445 CD GLN A 56 40.962 -2.786 21.701 1.00 0.00 ATOM 446 OE1 GLN A 56 41.350 -1.781 22.287 1.00 0.00 ATOM 447 NE2 GLN A 56 40.924 -3.903 22.309 1.00 0.00 ATOM 448 O GLN A 56 37.892 0.473 18.938 1.00 0.00 ATOM 449 C GLN A 56 37.682 -0.688 18.613 1.00 0.00 ATOM 450 N GLU A 57 36.457 -1.177 18.400 1.00 0.00 ATOM 451 CA GLU A 57 35.215 -0.357 18.428 1.00 0.00 ATOM 452 CB GLU A 57 34.132 -0.995 17.553 1.00 0.00 ATOM 453 CG GLU A 57 34.487 -1.082 16.076 1.00 0.00 ATOM 454 CD GLU A 57 33.373 -1.708 15.284 1.00 0.00 ATOM 455 OE1 GLU A 57 32.413 -2.132 15.878 1.00 0.00 ATOM 456 OE2 GLU A 57 33.431 -1.660 14.077 1.00 0.00 ATOM 457 O GLU A 57 35.108 -0.920 20.728 1.00 0.00 ATOM 458 C GLU A 57 34.705 -0.183 19.852 1.00 0.00 ATOM 459 N LYS A 58 33.653 0.610 20.047 1.00 0.00 ATOM 460 CA LYS A 58 33.033 0.820 21.383 1.00 0.00 ATOM 461 CB LYS A 58 32.519 -0.505 21.951 1.00 0.00 ATOM 462 CG LYS A 58 31.462 -1.187 21.095 1.00 0.00 ATOM 463 CD LYS A 58 30.171 -0.382 21.062 1.00 0.00 ATOM 464 CE LYS A 58 29.092 -1.098 20.264 1.00 0.00 ATOM 465 NZ LYS A 58 27.850 -0.286 20.155 1.00 0.00 ATOM 466 O LYS A 58 35.257 1.013 22.332 1.00 0.00 ATOM 467 C LYS A 58 34.122 1.472 22.276 1.00 0.00 ATOM 468 N LYS A 59 33.784 2.531 23.014 1.00 0.00 ATOM 469 CA LYS A 59 34.772 3.410 23.694 1.00 0.00 ATOM 470 CB LYS A 59 34.038 4.358 24.665 1.00 0.00 ATOM 471 CG LYS A 59 34.983 5.369 25.334 1.00 0.00 ATOM 472 CD LYS A 59 34.224 6.229 26.330 1.00 0.00 ATOM 473 CE LYS A 59 35.208 7.202 26.976 1.00 0.00 ATOM 474 NZ LYS A 59 34.502 8.089 27.888 1.00 0.00 ATOM 475 O LYS A 59 37.044 2.525 23.774 1.00 0.00 ATOM 476 C LYS A 59 35.983 2.700 24.364 1.00 0.00 ATOM 477 N GLU A 60 35.808 2.397 25.641 1.00 0.00 ATOM 478 CA GLU A 60 36.826 1.760 26.494 1.00 0.00 ATOM 479 CB GLU A 60 37.448 2.787 27.443 1.00 0.00 ATOM 480 CG GLU A 60 36.478 3.376 28.456 1.00 0.00 ATOM 481 CD GLU A 60 37.156 4.387 29.339 1.00 0.00 ATOM 482 OE1 GLU A 60 37.586 5.395 28.833 1.00 0.00 ATOM 483 OE2 GLU A 60 37.145 4.205 30.534 1.00 0.00 ATOM 484 O GLU A 60 36.828 0.024 28.164 1.00 0.00 ATOM 485 C GLU A 60 36.209 0.601 27.285 1.00 0.00 ATOM 486 N TYR A 61 34.983 0.269 26.913 1.00 0.00 ATOM 487 CA TYR A 61 34.240 -0.903 27.381 1.00 0.00 ATOM 488 CB TYR A 61 32.938 -0.474 28.061 1.00 0.00 ATOM 489 CG TYR A 61 33.142 0.334 29.323 1.00 0.00 ATOM 490 CD1 TYR A 61 33.195 1.720 29.282 1.00 0.00 ATOM 491 CD2 TYR A 61 33.280 -0.292 30.553 1.00 0.00 ATOM 492 CE1 TYR A 61 33.383 2.463 30.431 1.00 0.00 ATOM 493 CE2 TYR A 61 33.467 0.441 31.709 1.00 0.00 ATOM 494 CZ TYR A 61 33.517 1.818 31.645 1.00 0.00 ATOM 495 OH TYR A 61 33.702 2.553 32.794 1.00 0.00 ATOM 496 O TYR A 61 33.832 -1.324 25.040 1.00 0.00 ATOM 497 C TYR A 61 33.981 -1.813 26.157 1.00 0.00 ATOM 498 N VAL A 62 33.905 -3.113 26.388 1.00 0.00 ATOM 499 CA VAL A 62 33.870 -4.133 25.301 1.00 0.00 ATOM 500 CB VAL A 62 34.097 -5.529 25.917 1.00 0.00 ATOM 501 CG1 VAL A 62 33.981 -6.699 24.927 1.00 0.00 ATOM 502 CG2 VAL A 62 35.490 -5.585 26.518 1.00 0.00 ATOM 503 O VAL A 62 31.527 -4.302 25.027 1.00 0.00 ATOM 504 C VAL A 62 32.584 -4.025 24.458 1.00 0.00 ATOM 505 N LYS A 63 32.571 -4.030 23.116 1.00 0.00 ATOM 506 CA LYS A 63 33.492 -4.608 22.114 1.00 0.00 ATOM 507 CB LYS A 63 33.078 -4.192 20.702 1.00 0.00 ATOM 508 CG LYS A 63 31.749 -4.777 20.237 1.00 0.00 ATOM 509 CD LYS A 63 31.414 -4.332 18.823 1.00 0.00 ATOM 510 CE LYS A 63 30.079 -4.904 18.364 1.00 0.00 ATOM 511 NZ LYS A 63 29.731 -4.466 16.986 1.00 0.00 ATOM 512 O LYS A 63 35.654 -4.939 22.998 1.00 0.00 ATOM 513 C LYS A 63 34.971 -4.302 22.215 1.00 0.00 ATOM 514 N LYS A 64 35.441 -3.533 21.233 1.00 0.00 ATOM 515 CA LYS A 64 36.857 -3.207 21.033 1.00 0.00 ATOM 516 CB LYS A 64 37.204 -2.149 22.121 1.00 0.00 ATOM 517 CG LYS A 64 37.208 -2.643 23.552 1.00 0.00 ATOM 518 CD LYS A 64 37.483 -1.604 24.597 1.00 0.00 ATOM 519 CE LYS A 64 38.413 -2.432 25.431 1.00 0.00 ATOM 520 NZ LYS A 64 38.459 -1.835 26.736 1.00 0.00 ATOM 521 O LYS A 64 38.292 -4.842 22.025 1.00 0.00 ATOM 522 C LYS A 64 37.715 -4.505 20.999 1.00 0.00 ATOM 523 N GLU A 65 37.898 -5.221 19.867 1.00 0.00 ATOM 524 CA GLU A 65 38.487 -6.596 19.962 1.00 0.00 ATOM 525 CB GLU A 65 37.381 -7.652 19.979 1.00 0.00 ATOM 526 CG GLU A 65 36.544 -7.708 18.709 1.00 0.00 ATOM 527 CD GLU A 65 35.419 -8.698 18.838 1.00 0.00 ATOM 528 OE1 GLU A 65 35.303 -9.304 19.876 1.00 0.00 ATOM 529 OE2 GLU A 65 34.610 -8.767 17.943 1.00 0.00 ATOM 530 O GLU A 65 39.773 -8.474 19.123 1.00 0.00 ATOM 531 C GLU A 65 39.504 -7.270 19.002 1.00 0.00 ATOM 532 N LEU A 66 40.174 -6.538 18.126 1.00 0.00 ATOM 533 CA LEU A 66 41.053 -7.166 17.111 1.00 0.00 ATOM 534 CB LEU A 66 40.572 -6.808 15.700 1.00 0.00 ATOM 535 CG LEU A 66 39.144 -7.258 15.363 1.00 0.00 ATOM 536 CD1 LEU A 66 38.745 -6.743 13.987 1.00 0.00 ATOM 537 CD2 LEU A 66 39.063 -8.776 15.414 1.00 0.00 ATOM 538 O LEU A 66 42.822 -5.660 17.703 1.00 0.00 ATOM 539 C LEU A 66 42.525 -6.771 17.256 1.00 0.00 ATOM 540 N MET A 67 43.403 -7.749 17.011 1.00 0.00 ATOM 541 CA MET A 67 44.856 -7.556 17.219 1.00 0.00 ATOM 542 CB MET A 67 45.308 -8.278 18.487 1.00 0.00 ATOM 543 CG MET A 67 44.751 -7.694 19.777 1.00 0.00 ATOM 544 SD MET A 67 45.354 -6.026 20.104 1.00 0.00 ATOM 545 CE MET A 67 47.037 -6.368 20.608 1.00 0.00 ATOM 546 O MET A 67 47.061 -7.931 16.516 1.00 0.00 ATOM 547 C MET A 67 45.890 -7.966 16.164 1.00 0.00 ATOM 548 N GLU A 68 45.521 -8.000 14.886 1.00 0.00 ATOM 549 CA GLU A 68 46.411 -8.354 13.739 1.00 0.00 ATOM 550 CB GLU A 68 45.817 -9.514 12.937 1.00 0.00 ATOM 551 CG GLU A 68 45.703 -10.820 13.710 1.00 0.00 ATOM 552 CD GLU A 68 45.184 -11.929 12.836 1.00 0.00 ATOM 553 OE1 GLU A 68 44.905 -11.674 11.690 1.00 0.00 ATOM 554 OE2 GLU A 68 45.172 -13.052 13.281 1.00 0.00 ATOM 555 O GLU A 68 46.064 -6.131 12.931 1.00 0.00 ATOM 556 C GLU A 68 46.689 -7.177 12.775 1.00 0.00 ATOM 557 N PRO A 69 47.606 -7.285 11.789 1.00 0.00 ATOM 558 CA PRO A 69 47.914 -6.176 10.863 1.00 0.00 ATOM 559 CB PRO A 69 48.845 -6.820 9.853 1.00 0.00 ATOM 560 CG PRO A 69 49.642 -7.816 10.683 1.00 0.00 ATOM 561 CD PRO A 69 48.579 -8.385 11.604 1.00 0.00 ATOM 562 O PRO A 69 45.844 -6.190 9.609 1.00 0.00 ATOM 563 C PRO A 69 46.724 -5.509 10.158 1.00 0.00 ATOM 564 N LEU A 70 46.756 -4.173 10.162 1.00 0.00 ATOM 565 CA LEU A 70 45.712 -3.300 9.602 1.00 0.00 ATOM 566 CB LEU A 70 44.621 -3.038 10.648 1.00 0.00 ATOM 567 CG LEU A 70 43.501 -2.091 10.201 1.00 0.00 ATOM 568 CD1 LEU A 70 42.659 -2.751 9.119 1.00 0.00 ATOM 569 CD2 LEU A 70 42.643 -1.716 11.399 1.00 0.00 ATOM 570 O LEU A 70 47.149 -1.366 9.768 1.00 0.00 ATOM 571 C LEU A 70 46.300 -1.967 9.102 1.00 0.00 ATOM 572 N GLU A 71 45.695 -1.482 8.020 1.00 0.00 ATOM 573 CA GLU A 71 46.079 -0.199 7.439 1.00 0.00 ATOM 574 CB GLU A 71 46.816 -0.409 6.115 1.00 0.00 ATOM 575 CG GLU A 71 45.977 -1.061 5.025 1.00 0.00 ATOM 576 CD GLU A 71 46.789 -1.299 3.782 1.00 0.00 ATOM 577 OE1 GLU A 71 47.967 -1.036 3.805 1.00 0.00 ATOM 578 OE2 GLU A 71 46.256 -1.848 2.847 1.00 0.00 ATOM 579 O GLU A 71 43.724 0.269 7.050 1.00 0.00 ATOM 580 C GLU A 71 44.870 0.699 7.223 1.00 0.00 ATOM 581 N ILE A 72 45.185 1.974 7.405 1.00 0.00 ATOM 582 CA ILE A 72 44.220 3.080 7.299 1.00 0.00 ATOM 583 CB ILE A 72 43.745 3.550 8.685 1.00 0.00 ATOM 584 CG1 ILE A 72 44.944 3.822 9.597 1.00 0.00 ATOM 585 CG2 ILE A 72 42.821 2.516 9.310 1.00 0.00 ATOM 586 CD1 ILE A 72 45.399 2.615 10.385 1.00 0.00 ATOM 587 O ILE A 72 46.058 4.398 6.431 1.00 0.00 ATOM 588 C ILE A 72 44.839 4.254 6.546 1.00 0.00 ATOM 589 N LEU A 73 43.935 5.053 5.996 1.00 0.00 ATOM 590 CA LEU A 73 44.297 6.252 5.235 1.00 0.00 ATOM 591 CB LEU A 73 43.917 6.058 3.770 1.00 0.00 ATOM 592 CG LEU A 73 44.674 4.932 3.077 1.00 0.00 ATOM 593 CD1 LEU A 73 44.088 4.732 1.689 1.00 0.00 ATOM 594 CD2 LEU A 73 46.145 5.287 2.892 1.00 0.00 ATOM 595 O LEU A 73 42.470 7.461 6.214 1.00 0.00 ATOM 596 C LEU A 73 43.608 7.518 5.736 1.00 0.00 ATOM 597 N SER A 74 44.279 8.651 5.598 1.00 0.00 ATOM 598 CA SER A 74 43.740 9.982 5.957 1.00 0.00 ATOM 599 CB SER A 74 42.786 10.466 4.883 1.00 0.00 ATOM 600 OG SER A 74 43.414 10.589 3.637 1.00 0.00 ATOM 601 O SER A 74 41.798 10.132 7.414 1.00 0.00 ATOM 602 C SER A 74 43.025 9.986 7.321 1.00 0.00 ATOM 603 N LEU A 75 43.773 9.541 8.312 1.00 0.00 ATOM 604 CA LEU A 75 43.214 9.540 9.666 1.00 0.00 ATOM 605 CB LEU A 75 43.250 8.123 10.254 1.00 0.00 ATOM 606 CG LEU A 75 41.964 7.307 10.072 1.00 0.00 ATOM 607 CD1 LEU A 75 41.742 7.005 8.597 1.00 0.00 ATOM 608 CD2 LEU A 75 42.059 6.021 10.878 1.00 0.00 ATOM 609 O LEU A 75 44.881 11.082 10.354 1.00 0.00 ATOM 610 C LEU A 75 43.878 10.465 10.659 1.00 0.00 ATOM 611 N SER A 76 43.139 10.677 11.733 1.00 0.00 ATOM 612 CA SER A 76 43.600 11.581 12.788 1.00 0.00 ATOM 613 CB SER A 76 42.590 12.692 13.002 1.00 0.00 ATOM 614 OG SER A 76 42.949 13.530 14.066 1.00 0.00 ATOM 615 O SER A 76 43.089 9.861 14.399 1.00 0.00 ATOM 616 C SER A 76 43.836 10.795 14.074 1.00 0.00 ATOM 617 N GLY A 77 44.993 11.100 14.623 1.00 0.00 ATOM 618 CA GLY A 77 45.392 10.613 15.952 1.00 0.00 ATOM 619 O GLY A 77 47.541 11.740 15.718 1.00 0.00 ATOM 620 C GLY A 77 46.872 10.864 16.265 1.00 0.00 ATOM 621 N ASN A 78 47.353 10.016 17.173 1.00 0.00 ATOM 622 CA ASN A 78 48.740 10.119 17.654 1.00 0.00 ATOM 623 CB ASN A 78 48.799 10.710 19.051 1.00 0.00 ATOM 624 CG ASN A 78 48.227 9.813 20.112 1.00 0.00 ATOM 625 ND2 ASN A 78 47.028 10.130 20.533 1.00 0.00 ATOM 626 OD1 ASN A 78 48.829 8.803 20.493 1.00 0.00 ATOM 627 O ASN A 78 49.060 7.731 18.017 1.00 0.00 ATOM 628 C ASN A 78 49.527 8.822 17.667 1.00 0.00 ATOM 629 N VAL A 79 50.812 9.072 17.510 1.00 0.00 ATOM 630 CA VAL A 79 51.844 8.037 17.477 1.00 0.00 ATOM 631 CB VAL A 79 52.403 7.904 16.038 1.00 0.00 ATOM 632 CG1 VAL A 79 51.304 7.619 15.011 1.00 0.00 ATOM 633 CG2 VAL A 79 53.115 9.144 15.531 1.00 0.00 ATOM 634 O VAL A 79 53.410 9.467 18.653 1.00 0.00 ATOM 635 C VAL A 79 52.887 8.351 18.569 1.00 0.00 ATOM 636 N SER A 80 52.996 7.417 19.502 1.00 0.00 ATOM 637 CA SER A 80 53.867 7.573 20.685 1.00 0.00 ATOM 638 CB SER A 80 53.039 7.526 21.954 1.00 0.00 ATOM 639 OG SER A 80 53.836 7.546 23.106 1.00 0.00 ATOM 640 O SER A 80 54.677 5.327 20.426 1.00 0.00 ATOM 641 C SER A 80 54.945 6.497 20.708 1.00 0.00 ATOM 642 N MET A 81 56.125 6.938 21.099 1.00 0.00 ATOM 643 CA MET A 81 57.280 6.045 21.024 1.00 0.00 ATOM 644 CB MET A 81 57.722 5.974 19.572 1.00 0.00 ATOM 645 CG MET A 81 58.445 7.163 18.975 1.00 0.00 ATOM 646 SD MET A 81 58.926 6.773 17.261 1.00 0.00 ATOM 647 CE MET A 81 60.022 8.130 17.000 1.00 0.00 ATOM 648 O MET A 81 58.644 7.580 22.294 1.00 0.00 ATOM 649 C MET A 81 58.457 6.434 21.882 1.00 0.00 ATOM 650 N LYS A 82 59.364 5.475 21.809 1.00 0.00 ATOM 651 CA LYS A 82 60.740 5.665 22.238 1.00 0.00 ATOM 652 CB LYS A 82 61.078 4.715 23.388 1.00 0.00 ATOM 653 CG LYS A 82 62.525 4.788 23.859 1.00 0.00 ATOM 654 CD LYS A 82 62.702 4.105 25.207 1.00 0.00 ATOM 655 CE LYS A 82 62.607 2.592 25.080 1.00 0.00 ATOM 656 NZ LYS A 82 62.887 1.905 26.370 1.00 0.00 ATOM 657 O LYS A 82 61.656 4.366 20.433 1.00 0.00 ATOM 658 C LYS A 82 61.646 5.439 21.031 1.00 0.00 ATOM 659 N ASP A 83 62.621 6.339 21.002 1.00 0.00 ATOM 660 CA ASP A 83 63.841 6.118 20.224 1.00 0.00 ATOM 661 CB ASP A 83 64.193 7.367 19.411 1.00 0.00 ATOM 662 CG ASP A 83 65.447 7.231 18.560 1.00 0.00 ATOM 663 OD1 ASP A 83 66.458 6.830 19.085 1.00 0.00 ATOM 664 OD2 ASP A 83 65.348 7.376 17.364 1.00 0.00 ATOM 665 O ASP A 83 65.103 6.227 22.320 1.00 0.00 ATOM 666 C ASP A 83 64.975 5.738 21.188 1.00 0.00 ATOM 667 N SER A 84 65.566 4.621 20.801 1.00 0.00 ATOM 668 CA SER A 84 66.778 4.125 21.445 1.00 0.00 ATOM 669 CB SER A 84 66.659 2.635 21.703 1.00 0.00 ATOM 670 OG SER A 84 66.620 1.895 20.515 1.00 0.00 ATOM 671 O SER A 84 67.921 4.628 19.391 1.00 0.00 ATOM 672 C SER A 84 68.014 4.427 20.582 1.00 0.00 ATOM 673 N LYS A 85 69.199 4.190 21.156 1.00 0.00 ATOM 674 CA LYS A 85 70.474 4.342 20.406 1.00 0.00 ATOM 675 CB LYS A 85 71.660 3.851 21.257 1.00 0.00 ATOM 676 CG LYS A 85 73.003 3.985 20.538 1.00 0.00 ATOM 677 CD LYS A 85 74.161 3.462 21.393 1.00 0.00 ATOM 678 CE LYS A 85 75.481 3.671 20.645 1.00 0.00 ATOM 679 NZ LYS A 85 76.626 3.197 21.428 1.00 0.00 ATOM 680 O LYS A 85 70.791 4.323 18.041 1.00 0.00 ATOM 681 C LYS A 85 70.423 3.670 19.007 1.00 0.00 ATOM 682 N PRO A 86 69.928 2.423 18.907 1.00 0.00 ATOM 683 CA PRO A 86 69.749 1.729 17.617 1.00 0.00 ATOM 684 CB PRO A 86 69.796 0.243 17.968 1.00 0.00 ATOM 685 CG PRO A 86 69.114 0.244 19.318 1.00 0.00 ATOM 686 CD PRO A 86 69.783 1.431 19.989 1.00 0.00 ATOM 687 O PRO A 86 68.547 1.531 15.650 1.00 0.00 ATOM 688 C PRO A 86 68.505 2.007 16.771 1.00 0.00 ATOM 689 N PHE A 87 67.385 2.519 17.302 1.00 0.00 ATOM 690 CA PHE A 87 66.138 2.673 16.497 1.00 0.00 ATOM 691 CB PHE A 87 65.581 1.282 16.142 1.00 0.00 ATOM 692 CG PHE A 87 65.257 0.409 17.351 1.00 0.00 ATOM 693 CD1 PHE A 87 64.021 0.470 17.974 1.00 0.00 ATOM 694 CD2 PHE A 87 66.229 -0.464 17.799 1.00 0.00 ATOM 695 CE1 PHE A 87 63.763 -0.347 19.060 1.00 0.00 ATOM 696 CE2 PHE A 87 65.972 -1.281 18.886 1.00 0.00 ATOM 697 CZ PHE A 87 64.733 -1.227 19.521 1.00 0.00 ATOM 698 O PHE A 87 65.144 4.229 18.051 1.00 0.00 ATOM 699 C PHE A 87 65.004 3.587 17.031 1.00 0.00 ATOM 700 N CYS A 88 63.792 3.353 16.511 1.00 0.00 ATOM 701 CA CYS A 88 62.564 4.090 16.816 1.00 0.00 ATOM 702 CB CYS A 88 62.241 4.974 15.618 1.00 0.00 ATOM 703 SG CYS A 88 63.584 6.124 15.176 1.00 0.00 ATOM 704 O CYS A 88 61.120 2.284 16.069 1.00 0.00 ATOM 705 C CYS A 88 61.449 3.048 16.981 1.00 0.00 ATOM 706 N HIS A 89 60.943 2.962 18.202 1.00 0.00 ATOM 707 CA HIS A 89 59.900 1.987 18.554 1.00 0.00 ATOM 708 CB HIS A 89 60.342 1.124 19.740 1.00 0.00 ATOM 709 CG HIS A 89 59.349 0.072 20.123 1.00 0.00 ATOM 710 CD2 HIS A 89 59.358 -1.269 19.945 1.00 0.00 ATOM 711 ND1 HIS A 89 58.170 0.366 20.777 1.00 0.00 ATOM 712 CE1 HIS A 89 57.496 -0.753 20.984 1.00 0.00 ATOM 713 NE2 HIS A 89 58.195 -1.757 20.489 1.00 0.00 ATOM 714 O HIS A 89 58.452 3.251 19.970 1.00 0.00 ATOM 715 C HIS A 89 58.579 2.703 18.878 1.00 0.00 ATOM 716 N ILE A 90 57.656 2.672 17.912 1.00 0.00 ATOM 717 CA ILE A 90 56.366 3.407 17.979 1.00 0.00 ATOM 718 CB ILE A 90 56.358 4.539 16.926 1.00 0.00 ATOM 719 CG1 ILE A 90 55.150 5.476 17.040 1.00 0.00 ATOM 720 CG2 ILE A 90 56.508 3.992 15.518 1.00 0.00 ATOM 721 CD1 ILE A 90 55.497 6.850 16.486 1.00 0.00 ATOM 722 O ILE A 90 54.949 1.595 17.207 1.00 0.00 ATOM 723 C ILE A 90 55.079 2.573 17.942 1.00 0.00 ATOM 724 N HIS A 91 54.098 3.071 18.689 1.00 0.00 ATOM 725 CA HIS A 91 52.698 2.610 18.645 1.00 0.00 ATOM 726 CB HIS A 91 52.298 1.968 19.978 1.00 0.00 ATOM 727 CG HIS A 91 52.949 0.644 20.227 1.00 0.00 ATOM 728 CD2 HIS A 91 54.176 0.328 20.706 1.00 0.00 ATOM 729 ND1 HIS A 91 52.316 -0.555 19.976 1.00 0.00 ATOM 730 CE1 HIS A 91 53.126 -1.552 20.289 1.00 0.00 ATOM 731 NE2 HIS A 91 54.261 -1.042 20.733 1.00 0.00 ATOM 732 O HIS A 91 51.910 4.891 18.757 1.00 0.00 ATOM 733 C HIS A 91 51.737 3.756 18.313 1.00 0.00 ATOM 734 N VAL A 92 50.656 3.369 17.666 1.00 0.00 ATOM 735 CA VAL A 92 49.657 4.315 17.155 1.00 0.00 ATOM 736 CB VAL A 92 49.502 4.123 15.629 1.00 0.00 ATOM 737 CG1 VAL A 92 48.591 5.173 15.006 1.00 0.00 ATOM 738 CG2 VAL A 92 50.828 4.234 14.904 1.00 0.00 ATOM 739 O VAL A 92 47.868 2.978 18.050 1.00 0.00 ATOM 740 C VAL A 92 48.309 4.103 17.834 1.00 0.00 ATOM 741 N LEU A 93 47.685 5.240 18.102 1.00 0.00 ATOM 742 CA LEU A 93 46.303 5.324 18.600 1.00 0.00 ATOM 743 CB LEU A 93 46.307 5.515 20.117 1.00 0.00 ATOM 744 CG LEU A 93 44.942 5.244 20.748 1.00 0.00 ATOM 745 CD1 LEU A 93 45.151 4.877 22.212 1.00 0.00 ATOM 746 CD2 LEU A 93 44.014 6.470 20.706 1.00 0.00 ATOM 747 O LEU A 93 45.907 7.657 18.057 1.00 0.00 ATOM 748 C LEU A 93 45.569 6.472 17.895 1.00 0.00 ATOM 749 N LEU A 94 44.650 6.073 17.029 1.00 0.00 ATOM 750 CA LEU A 94 43.793 7.003 16.296 1.00 0.00 ATOM 751 CB LEU A 94 43.984 6.894 14.772 1.00 0.00 ATOM 752 CG LEU A 94 45.418 6.786 14.227 1.00 0.00 ATOM 753 CD1 LEU A 94 45.402 7.094 12.748 1.00 0.00 ATOM 754 CD2 LEU A 94 46.448 7.701 14.882 1.00 0.00 ATOM 755 O LEU A 94 41.857 5.597 16.485 1.00 0.00 ATOM 756 C LEU A 94 42.336 6.714 16.645 1.00 0.00 ATOM 757 N GLY A 95 41.701 7.736 17.227 1.00 0.00 ATOM 758 CA GLY A 95 40.287 7.695 17.643 1.00 0.00 ATOM 759 O GLY A 95 39.681 9.339 15.985 1.00 0.00 ATOM 760 C GLY A 95 39.350 8.329 16.614 1.00 0.00 ATOM 761 N LYS A 96 38.214 7.678 16.409 1.00 0.00 ATOM 762 CA LYS A 96 37.128 8.151 15.521 1.00 0.00 ATOM 763 CB LYS A 96 37.316 7.599 14.107 1.00 0.00 ATOM 764 CG LYS A 96 36.307 8.121 13.090 1.00 0.00 ATOM 765 CD LYS A 96 36.633 7.631 11.687 1.00 0.00 ATOM 766 CE LYS A 96 35.669 8.207 10.662 1.00 0.00 ATOM 767 NZ LYS A 96 36.018 7.795 9.275 1.00 0.00 ATOM 768 O LYS A 96 35.572 6.547 16.370 1.00 0.00 ATOM 769 C LYS A 96 35.769 7.727 16.106 1.00 0.00 ATOM 770 N ASP A 97 35.007 8.720 16.564 1.00 0.00 ATOM 771 CA ASP A 97 33.709 8.501 17.245 1.00 0.00 ATOM 772 CB ASP A 97 32.717 7.818 16.303 1.00 0.00 ATOM 773 CG ASP A 97 32.321 8.651 15.092 1.00 0.00 ATOM 774 OD1 ASP A 97 31.940 9.784 15.274 1.00 0.00 ATOM 775 OD2 ASP A 97 32.552 8.212 13.991 1.00 0.00 ATOM 776 O ASP A 97 32.953 6.991 19.015 1.00 0.00 ATOM 777 C ASP A 97 33.869 7.660 18.534 1.00 0.00 ATOM 778 N GLY A 98 35.025 7.847 19.176 1.00 0.00 ATOM 779 CA GLY A 98 35.427 7.175 20.428 1.00 0.00 ATOM 780 O GLY A 98 36.314 5.066 21.171 1.00 0.00 ATOM 781 C GLY A 98 35.923 5.742 20.210 1.00 0.00 ATOM 782 N GLU A 99 35.962 5.323 18.950 1.00 0.00 ATOM 783 CA GLU A 99 36.504 4.014 18.562 1.00 0.00 ATOM 784 CB GLU A 99 35.756 3.465 17.345 1.00 0.00 ATOM 785 CG GLU A 99 34.272 3.222 17.575 1.00 0.00 ATOM 786 CD GLU A 99 33.615 2.649 16.350 1.00 0.00 ATOM 787 OE1 GLU A 99 34.285 2.494 15.358 1.00 0.00 ATOM 788 OE2 GLU A 99 32.474 2.259 16.440 1.00 0.00 ATOM 789 O GLU A 99 38.446 5.269 17.898 1.00 0.00 ATOM 790 C GLU A 99 37.992 4.179 18.282 1.00 0.00 ATOM 791 N VAL A 100 38.735 3.119 18.530 1.00 0.00 ATOM 792 CA VAL A 100 40.201 3.148 18.409 1.00 0.00 ATOM 793 CB VAL A 100 40.883 2.715 19.725 1.00 0.00 ATOM 794 CG1 VAL A 100 42.416 2.719 19.647 1.00 0.00 ATOM 795 CG2 VAL A 100 40.457 3.645 20.875 1.00 0.00 ATOM 796 O VAL A 100 40.309 1.092 17.178 1.00 0.00 ATOM 797 C VAL A 100 40.664 2.268 17.250 1.00 0.00 ATOM 798 N TYR A 101 41.641 2.821 16.542 1.00 0.00 ATOM 799 CA TYR A 101 42.462 2.098 15.567 1.00 0.00 ATOM 800 CB TYR A 101 42.390 2.754 14.186 1.00 0.00 ATOM 801 CG TYR A 101 40.978 2.730 13.630 1.00 0.00 ATOM 802 CD1 TYR A 101 40.095 3.759 13.932 1.00 0.00 ATOM 803 CD2 TYR A 101 40.552 1.633 12.905 1.00 0.00 ATOM 804 CE1 TYR A 101 38.779 3.677 13.502 1.00 0.00 ATOM 805 CE2 TYR A 101 39.247 1.553 12.476 1.00 0.00 ATOM 806 CZ TYR A 101 38.354 2.571 12.779 1.00 0.00 ATOM 807 OH TYR A 101 37.117 2.544 12.218 1.00 0.00 ATOM 808 O TYR A 101 44.315 3.379 16.358 1.00 0.00 ATOM 809 C TYR A 101 43.896 2.260 16.028 1.00 0.00 ATOM 810 N GLY A 102 44.640 1.175 15.984 1.00 0.00 ATOM 811 CA GLY A 102 46.054 1.282 16.352 1.00 0.00 ATOM 812 O GLY A 102 46.597 -0.994 15.704 1.00 0.00 ATOM 813 C GLY A 102 46.863 0.004 16.354 1.00 0.00 ATOM 814 N GLY A 103 47.942 0.092 17.087 1.00 0.00 ATOM 815 CA GLY A 103 48.877 -1.035 17.204 1.00 0.00 ATOM 816 O GLY A 103 50.570 0.623 16.827 1.00 0.00 ATOM 817 C GLY A 103 50.280 -0.573 16.872 1.00 0.00 ATOM 818 N HIS A 104 51.141 -1.579 16.923 1.00 0.00 ATOM 819 CA HIS A 104 52.580 -1.357 16.722 1.00 0.00 ATOM 820 CB HIS A 104 53.368 -2.642 16.994 1.00 0.00 ATOM 821 CG HIS A 104 54.846 -2.492 16.806 1.00 0.00 ATOM 822 CD2 HIS A 104 55.682 -3.001 15.871 1.00 0.00 ATOM 823 ND1 HIS A 104 55.629 -1.734 17.650 1.00 0.00 ATOM 824 CE1 HIS A 104 56.887 -1.785 17.242 1.00 0.00 ATOM 825 NE2 HIS A 104 56.944 -2.546 16.164 1.00 0.00 ATOM 826 O HIS A 104 52.339 -1.476 14.337 1.00 0.00 ATOM 827 C HIS A 104 52.799 -0.860 15.292 1.00 0.00 ATOM 828 N LEU A 105 53.281 0.368 15.246 1.00 0.00 ATOM 829 CA LEU A 105 53.543 1.050 13.979 1.00 0.00 ATOM 830 CB LEU A 105 53.672 2.550 14.262 1.00 0.00 ATOM 831 CG LEU A 105 53.972 3.401 13.023 1.00 0.00 ATOM 832 CD1 LEU A 105 52.937 3.194 11.931 1.00 0.00 ATOM 833 CD2 LEU A 105 54.053 4.894 13.352 1.00 0.00 ATOM 834 O LEU A 105 55.913 0.597 13.734 1.00 0.00 ATOM 835 C LEU A 105 54.781 0.501 13.260 1.00 0.00 ATOM 836 N PHE A 106 54.498 0.050 12.051 1.00 0.00 ATOM 837 CA PHE A 106 55.556 -0.426 11.141 1.00 0.00 ATOM 838 CB PHE A 106 55.100 -1.679 10.396 1.00 0.00 ATOM 839 CG PHE A 106 54.917 -2.855 11.348 1.00 0.00 ATOM 840 CD1 PHE A 106 53.644 -3.212 11.748 1.00 0.00 ATOM 841 CD2 PHE A 106 56.034 -3.562 11.795 1.00 0.00 ATOM 842 CE1 PHE A 106 53.460 -4.301 12.584 1.00 0.00 ATOM 843 CE2 PHE A 106 55.830 -4.644 12.625 1.00 0.00 ATOM 844 CZ PHE A 106 54.551 -5.008 13.004 1.00 0.00 ATOM 845 O PHE A 106 57.115 0.819 9.799 1.00 0.00 ATOM 846 C PHE A 106 55.929 0.638 10.105 1.00 0.00 ATOM 847 N SER A 107 54.905 1.316 9.623 1.00 0.00 ATOM 848 CA SER A 107 55.056 2.390 8.623 1.00 0.00 ATOM 849 CB SER A 107 55.198 1.796 7.236 1.00 0.00 ATOM 850 OG SER A 107 54.024 1.159 6.812 1.00 0.00 ATOM 851 O SER A 107 52.784 3.005 9.082 1.00 0.00 ATOM 852 C SER A 107 53.889 3.356 8.661 1.00 0.00 ATOM 853 N ALA A 108 54.196 4.571 8.206 1.00 0.00 ATOM 854 CA ALA A 108 53.204 5.655 8.101 1.00 0.00 ATOM 855 CB ALA A 108 52.776 6.140 9.494 1.00 0.00 ATOM 856 O ALA A 108 54.919 6.960 7.062 1.00 0.00 ATOM 857 C ALA A 108 53.729 6.837 7.295 1.00 0.00 ATOM 858 N GLU A 109 52.787 7.559 6.709 1.00 0.00 ATOM 859 CA GLU A 109 53.048 8.820 6.024 1.00 0.00 ATOM 860 CB GLU A 109 52.740 8.657 4.542 1.00 0.00 ATOM 861 CG GLU A 109 53.053 9.893 3.683 1.00 0.00 ATOM 862 CD GLU A 109 52.752 9.648 2.209 1.00 0.00 ATOM 863 OE1 GLU A 109 52.297 8.536 1.848 1.00 0.00 ATOM 864 OE2 GLU A 109 52.828 10.646 1.465 1.00 0.00 ATOM 865 O GLU A 109 50.959 9.793 6.726 1.00 0.00 ATOM 866 C GLU A 109 52.174 9.924 6.636 1.00 0.00 ATOM 867 N VAL A 110 52.841 10.973 7.062 1.00 0.00 ATOM 868 CA VAL A 110 52.160 12.139 7.640 1.00 0.00 ATOM 869 CB VAL A 110 53.142 12.906 8.547 1.00 0.00 ATOM 870 CG1 VAL A 110 52.591 14.247 9.030 1.00 0.00 ATOM 871 CG2 VAL A 110 53.428 12.039 9.774 1.00 0.00 ATOM 872 O VAL A 110 52.279 13.382 5.590 1.00 0.00 ATOM 873 C VAL A 110 51.587 13.020 6.530 1.00 0.00 ATOM 874 N PHE A 111 50.354 13.446 6.766 1.00 0.00 ATOM 875 CA PHE A 111 49.716 14.507 5.980 1.00 0.00 ATOM 876 CB PHE A 111 48.230 14.203 5.781 1.00 0.00 ATOM 877 CG PHE A 111 47.491 15.268 5.022 1.00 0.00 ATOM 878 CD1 PHE A 111 47.605 15.362 3.642 1.00 0.00 ATOM 879 CD2 PHE A 111 46.680 16.177 5.683 1.00 0.00 ATOM 880 CE1 PHE A 111 46.924 16.341 2.942 1.00 0.00 ATOM 881 CE2 PHE A 111 45.998 17.156 4.986 1.00 0.00 ATOM 882 CZ PHE A 111 46.122 17.238 3.614 1.00 0.00 ATOM 883 O PHE A 111 50.308 16.846 6.040 1.00 0.00 ATOM 884 C PHE A 111 49.901 15.876 6.672 1.00 0.00 ATOM 885 N ALA A 112 49.639 15.920 7.988 1.00 0.00 ATOM 886 CA ALA A 112 49.778 17.148 8.804 1.00 0.00 ATOM 887 CB ALA A 112 48.607 18.091 8.526 1.00 0.00 ATOM 888 O ALA A 112 48.826 16.463 10.881 1.00 0.00 ATOM 889 C ALA A 112 49.844 16.837 10.295 1.00 0.00 ATOM 890 N CYS A 113 51.080 16.783 10.807 1.00 0.00 ATOM 891 CA CYS A 113 51.353 16.465 12.215 1.00 0.00 ATOM 892 CB CYS A 113 51.663 14.964 12.357 1.00 0.00 ATOM 893 SG CYS A 113 50.209 14.032 11.749 1.00 0.00 ATOM 894 O CYS A 113 53.216 18.004 12.300 1.00 0.00 ATOM 895 C CYS A 113 52.388 17.337 12.927 1.00 0.00 ATOM 896 N GLU A 114 52.186 17.394 14.241 1.00 0.00 ATOM 897 CA GLU A 114 53.079 18.075 15.190 1.00 0.00 ATOM 898 CB GLU A 114 52.277 18.987 16.121 1.00 0.00 ATOM 899 CG GLU A 114 53.116 19.729 17.149 1.00 0.00 ATOM 900 CD GLU A 114 52.259 20.593 18.034 1.00 0.00 ATOM 901 OE1 GLU A 114 51.065 20.599 17.848 1.00 0.00 ATOM 902 OE2 GLU A 114 52.782 21.159 18.966 1.00 0.00 ATOM 903 O GLU A 114 53.289 15.971 16.370 1.00 0.00 ATOM 904 C GLU A 114 53.845 16.995 15.965 1.00 0.00 ATOM 905 N VAL A 115 55.150 17.201 15.956 1.00 0.00 ATOM 906 CA VAL A 115 56.104 16.286 16.597 1.00 0.00 ATOM 907 CB VAL A 115 57.220 15.801 15.649 1.00 0.00 ATOM 908 CG1 VAL A 115 58.102 14.737 16.324 1.00 0.00 ATOM 909 CG2 VAL A 115 56.663 15.182 14.363 1.00 0.00 ATOM 910 O VAL A 115 57.314 18.030 17.787 1.00 0.00 ATOM 911 C VAL A 115 56.692 16.965 17.837 1.00 0.00 ATOM 912 N PHE A 116 56.635 16.164 18.875 1.00 0.00 ATOM 913 CA PHE A 116 57.125 16.470 20.219 1.00 0.00 ATOM 914 CB PHE A 116 56.017 16.238 21.234 1.00 0.00 ATOM 915 CG PHE A 116 54.788 17.117 21.030 1.00 0.00 ATOM 916 CD1 PHE A 116 53.690 16.537 20.434 1.00 0.00 ATOM 917 CD2 PHE A 116 54.725 18.433 21.483 1.00 0.00 ATOM 918 CE1 PHE A 116 52.518 17.263 20.303 1.00 0.00 ATOM 919 CE2 PHE A 116 53.552 19.161 21.352 1.00 0.00 ATOM 920 CZ PHE A 116 52.446 18.568 20.757 1.00 0.00 ATOM 921 O PHE A 116 58.067 14.268 20.467 1.00 0.00 ATOM 922 C PHE A 116 58.243 15.478 20.544 1.00 0.00 ATOM 923 N VAL A 117 59.393 16.047 20.908 1.00 0.00 ATOM 924 CA VAL A 117 60.564 15.233 21.282 1.00 0.00 ATOM 925 CB VAL A 117 61.687 15.295 20.230 1.00 0.00 ATOM 926 CG1 VAL A 117 62.806 14.293 20.558 1.00 0.00 ATOM 927 CG2 VAL A 117 61.179 14.966 18.825 1.00 0.00 ATOM 928 O VAL A 117 61.294 16.824 22.939 1.00 0.00 ATOM 929 C VAL A 117 61.098 15.638 22.656 1.00 0.00 ATOM 930 N LEU A 118 61.291 14.602 23.468 1.00 0.00 ATOM 931 CA LEU A 118 61.918 14.711 24.798 1.00 0.00 ATOM 932 CB LEU A 118 60.919 14.429 25.929 1.00 0.00 ATOM 933 CG LEU A 118 61.321 14.604 27.394 1.00 0.00 ATOM 934 CD1 LEU A 118 60.123 14.341 28.304 1.00 0.00 ATOM 935 CD2 LEU A 118 62.366 13.602 27.858 1.00 0.00 ATOM 936 O LEU A 118 62.937 12.538 24.935 1.00 0.00 ATOM 937 C LEU A 118 63.115 13.757 24.881 1.00 0.00 ATOM 938 N PRO A 119 64.307 14.344 25.044 1.00 0.00 ATOM 939 CA PRO A 119 65.544 13.594 25.347 1.00 0.00 ATOM 940 CB PRO A 119 66.639 14.603 25.027 1.00 0.00 ATOM 941 CG PRO A 119 66.014 15.965 25.273 1.00 0.00 ATOM 942 CD PRO A 119 64.570 15.767 24.832 1.00 0.00 ATOM 943 O PRO A 119 65.214 13.971 27.677 1.00 0.00 ATOM 944 C PRO A 119 65.602 13.192 26.823 1.00 0.00 ATOM 945 N LEU A 120 66.197 12.063 27.138 1.00 0.00 ATOM 946 CA LEU A 120 66.213 11.601 28.540 1.00 0.00 ATOM 947 CB LEU A 120 65.773 10.140 28.673 1.00 0.00 ATOM 948 CG LEU A 120 64.381 9.887 28.090 1.00 0.00 ATOM 949 CD1 LEU A 120 64.112 8.390 28.089 1.00 0.00 ATOM 950 CD2 LEU A 120 63.314 10.551 28.936 1.00 0.00 ATOM 951 O LEU A 120 68.615 11.446 28.568 1.00 0.00 ATOM 952 C LEU A 120 67.590 11.698 29.194 1.00 0.00 ATOM 953 N SER A 121 67.558 12.029 30.474 1.00 0.00 ATOM 954 CA SER A 121 68.738 11.983 31.358 1.00 0.00 ATOM 955 CB SER A 121 68.946 13.288 32.140 1.00 0.00 ATOM 956 OG SER A 121 67.837 13.573 32.996 1.00 0.00 ATOM 957 O SER A 121 69.678 10.259 32.727 1.00 0.00 ATOM 958 C SER A 121 68.641 10.778 32.306 1.00 0.00 ATOM 959 N GLY A 122 67.424 10.312 32.560 1.00 0.00 ATOM 960 CA GLY A 122 67.189 9.102 33.361 1.00 0.00 ATOM 961 O GLY A 122 64.940 9.044 32.469 1.00 0.00 ATOM 962 C GLY A 122 65.762 8.556 33.233 1.00 0.00 ATOM 963 N GLU A 123 65.582 7.480 33.980 1.00 0.00 ATOM 964 CA GLU A 123 64.335 6.716 34.080 1.00 0.00 ATOM 965 CB GLU A 123 64.453 5.395 33.314 1.00 0.00 ATOM 966 CG GLU A 123 64.724 5.554 31.825 1.00 0.00 ATOM 967 CD GLU A 123 64.774 4.219 31.133 1.00 0.00 ATOM 968 OE1 GLU A 123 65.562 3.394 31.532 1.00 0.00 ATOM 969 OE2 GLU A 123 63.950 3.983 30.283 1.00 0.00 ATOM 970 O GLU A 123 64.907 6.371 36.385 1.00 0.00 ATOM 971 C GLU A 123 63.996 6.463 35.563 1.00 0.00 ATOM 972 N ALA A 124 62.715 6.309 35.872 1.00 0.00 ATOM 973 CA ALA A 124 62.301 5.805 37.187 1.00 0.00 ATOM 974 CB ALA A 124 60.789 5.995 37.366 1.00 0.00 ATOM 975 O ALA A 124 62.802 3.625 36.305 1.00 0.00 ATOM 976 C ALA A 124 62.703 4.317 37.322 1.00 0.00 ATOM 977 N PRO A 125 63.132 3.867 38.506 1.00 0.00 ATOM 978 CA PRO A 125 63.515 2.458 38.751 1.00 0.00 ATOM 979 CB PRO A 125 64.091 2.435 40.168 1.00 0.00 ATOM 980 CG PRO A 125 63.365 3.597 40.835 1.00 0.00 ATOM 981 CD PRO A 125 63.300 4.668 39.737 1.00 0.00 ATOM 982 O PRO A 125 61.204 1.897 38.840 1.00 0.00 ATOM 983 C PRO A 125 62.343 1.496 38.599 1.00 0.00 ATOM 984 N GLU A 126 62.669 0.210 38.502 1.00 0.00 ATOM 985 CA GLU A 126 61.646 -0.851 38.381 1.00 0.00 ATOM 986 CB GLU A 126 62.311 -2.215 38.179 1.00 0.00 ATOM 987 CG GLU A 126 62.966 -2.398 36.818 1.00 0.00 ATOM 988 CD GLU A 126 63.675 -3.722 36.728 1.00 0.00 ATOM 989 OE1 GLU A 126 63.708 -4.424 37.709 1.00 0.00 ATOM 990 OE2 GLU A 126 64.087 -4.080 35.649 1.00 0.00 ATOM 991 O GLU A 126 59.550 -1.301 39.530 1.00 0.00 ATOM 992 C GLU A 126 60.703 -0.933 39.586 1.00 0.00 ATOM 993 N ARG A 127 61.250 -0.563 40.737 1.00 0.00 ATOM 994 CA ARG A 127 60.572 -0.763 42.025 1.00 0.00 ATOM 995 CB ARG A 127 61.551 -1.085 43.145 1.00 0.00 ATOM 996 CG ARG A 127 62.281 -2.410 42.994 1.00 0.00 ATOM 997 CD ARG A 127 63.253 -2.700 44.079 1.00 0.00 ATOM 998 NE ARG A 127 63.979 -3.950 43.920 1.00 0.00 ATOM 999 CZ ARG A 127 65.029 -4.326 44.675 1.00 0.00 ATOM 1000 NH1 ARG A 127 65.505 -3.539 45.614 1.00 0.00 ATOM 1001 NH2 ARG A 127 65.586 -5.499 44.428 1.00 0.00 ATOM 1002 O ARG A 127 58.844 0.384 43.303 1.00 0.00 ATOM 1003 C ARG A 127 59.677 0.447 42.394 1.00 0.00 ATOM 1004 N ALA A 128 59.851 1.548 41.658 1.00 0.00 ATOM 1005 CA ALA A 128 59.113 2.822 41.845 1.00 0.00 ATOM 1006 CB ALA A 128 59.898 4.005 41.252 1.00 0.00 ATOM 1007 O ALA A 128 57.272 1.998 40.508 1.00 0.00 ATOM 1008 C ALA A 128 57.695 2.841 41.294 1.00 0.00 ATOM 1009 N PHE A 129 56.921 3.748 41.874 1.00 0.00 ATOM 1010 CA PHE A 129 55.561 4.050 41.394 1.00 0.00 ATOM 1011 CB PHE A 129 54.572 4.307 42.519 1.00 0.00 ATOM 1012 CG PHE A 129 54.396 3.016 43.263 1.00 0.00 ATOM 1013 CD1 PHE A 129 55.212 2.812 44.360 1.00 0.00 ATOM 1014 CD2 PHE A 129 53.479 2.063 42.817 1.00 0.00 ATOM 1015 CE1 PHE A 129 55.102 1.638 45.059 1.00 0.00 ATOM 1016 CE2 PHE A 129 53.356 0.893 43.533 1.00 0.00 ATOM 1017 CZ PHE A 129 54.166 0.714 44.642 1.00 0.00 ATOM 1018 O PHE A 129 56.457 6.122 40.627 1.00 0.00 ATOM 1019 C PHE A 129 55.560 5.286 40.522 1.00 0.00 ATOM 1020 N ASP A 130 54.498 5.318 39.732 1.00 0.00 ATOM 1021 CA ASP A 130 54.305 6.304 38.656 1.00 0.00 ATOM 1022 CB ASP A 130 53.922 7.666 39.241 1.00 0.00 ATOM 1023 CG ASP A 130 53.371 8.655 38.222 1.00 0.00 ATOM 1024 OD1 ASP A 130 53.023 8.236 37.143 1.00 0.00 ATOM 1025 OD2 ASP A 130 53.156 9.788 38.580 1.00 0.00 ATOM 1026 O ASP A 130 56.475 7.220 38.078 1.00 0.00 ATOM 1027 C ASP A 130 55.611 6.373 37.844 1.00 0.00 ATOM 1028 N GLU A 131 55.926 5.185 37.325 1.00 0.00 ATOM 1029 CA GLU A 131 57.179 4.988 36.579 1.00 0.00 ATOM 1030 CB GLU A 131 57.367 3.510 36.228 1.00 0.00 ATOM 1031 CG GLU A 131 58.690 3.189 35.547 1.00 0.00 ATOM 1032 CD GLU A 131 58.808 1.721 35.249 1.00 0.00 ATOM 1033 OE1 GLU A 131 57.915 0.988 35.604 1.00 0.00 ATOM 1034 OE2 GLU A 131 59.733 1.345 34.569 1.00 0.00 ATOM 1035 O GLU A 131 56.497 5.572 34.342 1.00 0.00 ATOM 1036 C GLU A 131 57.222 5.834 35.299 1.00 0.00 ATOM 1037 N GLN A 132 58.093 6.834 35.332 1.00 0.00 ATOM 1038 CA GLN A 132 58.273 7.802 34.235 1.00 0.00 ATOM 1039 CB GLN A 132 57.745 9.181 34.642 1.00 0.00 ATOM 1040 CG GLN A 132 58.546 9.853 35.743 1.00 0.00 ATOM 1041 CD GLN A 132 57.983 11.211 36.123 1.00 0.00 ATOM 1042 OE1 GLN A 132 57.121 11.756 35.427 1.00 0.00 ATOM 1043 NE2 GLN A 132 58.470 11.764 37.226 1.00 0.00 ATOM 1044 O GLN A 132 60.674 7.551 34.508 1.00 0.00 ATOM 1045 C GLN A 132 59.741 7.944 33.797 1.00 0.00 ATOM 1046 N THR A 133 59.929 8.517 32.626 1.00 0.00 ATOM 1047 CA THR A 133 61.283 8.837 32.138 1.00 0.00 ATOM 1048 CB THR A 133 61.533 8.246 30.739 1.00 0.00 ATOM 1049 CG2 THR A 133 61.326 6.739 30.750 1.00 0.00 ATOM 1050 OG1 THR A 133 60.632 8.842 29.797 1.00 0.00 ATOM 1051 O THR A 133 60.430 11.064 32.007 1.00 0.00 ATOM 1052 C THR A 133 61.431 10.352 32.119 1.00 0.00 ATOM 1053 N GLY A 134 62.684 10.799 32.019 1.00 0.00 ATOM 1054 CA GLY A 134 62.856 12.259 31.958 1.00 0.00 ATOM 1055 O GLY A 134 65.255 12.587 31.976 1.00 0.00 ATOM 1056 C GLY A 134 64.124 13.064 31.947 1.00 0.00 ATOM 1057 N LEU A 135 63.740 14.212 31.401 1.00 0.00 ATOM 1058 CA LEU A 135 64.579 15.299 30.917 1.00 0.00 ATOM 1059 CB LEU A 135 64.014 15.808 29.588 1.00 0.00 ATOM 1060 CG LEU A 135 64.793 16.975 28.978 1.00 0.00 ATOM 1061 CD1 LEU A 135 66.185 16.547 28.585 1.00 0.00 ATOM 1062 CD2 LEU A 135 64.026 17.633 27.838 1.00 0.00 ATOM 1063 O LEU A 135 63.636 17.299 31.873 1.00 0.00 ATOM 1064 C LEU A 135 64.578 16.506 31.848 1.00 0.00 ATOM 1065 N PHE A 136 65.819 16.857 32.121 1.00 0.00 ATOM 1066 CA PHE A 136 66.082 18.089 32.864 1.00 0.00 ATOM 1067 CB PHE A 136 66.449 17.730 34.295 1.00 0.00 ATOM 1068 CG PHE A 136 66.847 18.990 35.067 1.00 0.00 ATOM 1069 CD1 PHE A 136 65.896 19.950 35.334 1.00 0.00 ATOM 1070 CD2 PHE A 136 68.178 19.194 35.386 1.00 0.00 ATOM 1071 CE1 PHE A 136 66.255 21.122 35.978 1.00 0.00 ATOM 1072 CE2 PHE A 136 68.538 20.364 36.029 1.00 0.00 ATOM 1073 CZ PHE A 136 67.582 21.315 36.331 1.00 0.00 ATOM 1074 O PHE A 136 68.304 18.477 32.094 1.00 0.00 ATOM 1075 C PHE A 136 67.168 18.934 32.221 1.00 0.00 ATOM 1076 N LEU A 137 66.836 20.200 32.077 1.00 0.00 ATOM 1077 CA LEU A 137 67.794 21.185 31.555 1.00 0.00 ATOM 1078 CB LEU A 137 67.079 22.188 30.641 1.00 0.00 ATOM 1079 CG LEU A 137 66.813 21.695 29.213 1.00 0.00 ATOM 1080 CD1 LEU A 137 65.946 20.443 29.243 1.00 0.00 ATOM 1081 CD2 LEU A 137 66.138 22.799 28.411 1.00 0.00 ATOM 1082 O LEU A 137 67.808 22.484 33.587 1.00 0.00 ATOM 1083 C LEU A 137 68.460 21.865 32.757 1.00 0.00 ATOM 1084 N TRP A 138 69.735 21.536 32.919 1.00 0.00 ATOM 1085 CA TRP A 138 70.543 22.062 34.052 1.00 0.00 ATOM 1086 CB TRP A 138 71.926 21.407 34.071 1.00 0.00 ATOM 1087 CG TRP A 138 71.916 20.007 34.604 1.00 0.00 ATOM 1088 CD1 TRP A 138 72.156 19.623 35.890 1.00 0.00 ATOM 1089 CD2 TRP A 138 71.653 18.806 33.869 1.00 0.00 ATOM 1090 CE2 TRP A 138 71.751 17.733 34.772 1.00 0.00 ATOM 1091 CE3 TRP A 138 71.342 18.535 32.530 1.00 0.00 ATOM 1092 NE1 TRP A 138 72.062 18.257 36.002 1.00 0.00 ATOM 1093 CZ2 TRP A 138 71.554 16.417 34.387 1.00 0.00 ATOM 1094 CZ3 TRP A 138 71.144 17.216 32.144 1.00 0.00 ATOM 1095 CH2 TRP A 138 71.246 16.186 33.046 1.00 0.00 ATOM 1096 O TRP A 138 70.625 24.067 32.783 1.00 0.00 ATOM 1097 C TRP A 138 70.642 23.564 33.909 1.00 0.00 ATOM 1098 N LEU A 139 70.678 24.256 35.030 1.00 0.00 ATOM 1099 CA LEU A 139 70.723 25.732 35.099 1.00 0.00 ATOM 1100 CB LEU A 139 71.836 26.355 34.266 1.00 0.00 ATOM 1101 CG LEU A 139 73.231 25.904 34.643 1.00 0.00 ATOM 1102 CD1 LEU A 139 74.183 26.365 33.552 1.00 0.00 ATOM 1103 CD2 LEU A 139 73.646 26.513 35.989 1.00 0.00 ATOM 1104 O LEU A 139 69.033 27.385 35.283 1.00 0.00 ATOM 1105 C LEU A 139 69.426 26.416 34.645 1.00 0.00 ATOM 1106 N GLU A 140 68.750 25.870 33.653 1.00 0.00 ATOM 1107 CA GLU A 140 67.469 26.419 33.203 1.00 0.00 ATOM 1108 CB GLU A 140 67.380 26.392 31.674 1.00 0.00 ATOM 1109 CG GLU A 140 68.405 27.270 30.971 1.00 0.00 ATOM 1110 CD GLU A 140 68.257 27.191 29.476 1.00 0.00 ATOM 1111 OE1 GLU A 140 67.416 26.455 29.020 1.00 0.00 ATOM 1112 OE2 GLU A 140 68.904 27.950 28.794 1.00 0.00 ATOM 1113 O GLU A 140 66.587 24.580 34.496 1.00 0.00 ATOM 1114 C GLU A 140 66.358 25.597 33.855 1.00 0.00 ATOM 1115 N HIS A 141 65.182 26.205 33.933 1.00 0.00 ATOM 1116 CA HIS A 141 64.070 25.565 34.653 1.00 0.00 ATOM 1117 CB HIS A 141 63.223 26.613 35.381 1.00 0.00 ATOM 1118 CG HIS A 141 63.974 27.372 36.432 1.00 0.00 ATOM 1119 CD2 HIS A 141 64.416 28.650 36.463 1.00 0.00 ATOM 1120 ND1 HIS A 141 64.352 26.805 37.630 1.00 0.00 ATOM 1121 CE1 HIS A 141 64.997 27.703 38.354 1.00 0.00 ATOM 1122 NE2 HIS A 141 65.048 28.831 37.669 1.00 0.00 ATOM 1123 O HIS A 141 62.126 25.208 33.301 1.00 0.00 ATOM 1124 C HIS A 141 63.213 24.765 33.686 1.00 0.00 ATOM 1125 N HIS A 142 63.687 23.575 33.319 1.00 0.00 ATOM 1126 CA HIS A 142 62.970 22.855 32.258 1.00 0.00 ATOM 1127 CB HIS A 142 63.489 23.259 30.881 1.00 0.00 ATOM 1128 CG HIS A 142 63.326 24.755 30.545 1.00 0.00 ATOM 1129 CD2 HIS A 142 62.197 25.396 30.256 1.00 0.00 ATOM 1130 ND1 HIS A 142 64.305 25.654 30.610 1.00 0.00 ATOM 1131 CE1 HIS A 142 63.758 26.845 30.386 1.00 0.00 ATOM 1132 NE2 HIS A 142 62.465 26.691 30.155 1.00 0.00 ATOM 1133 O HIS A 142 63.811 20.621 32.648 1.00 0.00 ATOM 1134 C HIS A 142 62.835 21.344 32.440 1.00 0.00 ATOM 1135 N HIS A 143 61.567 20.989 32.626 1.00 0.00 ATOM 1136 CA HIS A 143 61.036 19.619 32.762 1.00 0.00 ATOM 1137 CB HIS A 143 61.022 19.015 31.338 1.00 0.00 ATOM 1138 CG HIS A 143 60.384 19.986 30.314 1.00 0.00 ATOM 1139 CD2 HIS A 143 60.833 20.285 29.107 1.00 0.00 ATOM 1140 ND1 HIS A 143 59.328 20.765 30.535 1.00 0.00 ATOM 1141 CE1 HIS A 143 59.082 21.504 29.455 1.00 0.00 ATOM 1142 NE2 HIS A 143 60.041 21.214 28.580 1.00 0.00 ATOM 1143 O HIS A 143 61.883 17.573 33.757 1.00 0.00 ATOM 1144 C HIS A 143 61.751 18.790 33.842 1.00 0.00 ATOM 1145 N HIS A 144 62.012 19.447 34.978 1.00 0.00 ATOM 1146 CA HIS A 144 62.778 18.885 36.119 1.00 0.00 ATOM 1147 CB HIS A 144 62.896 19.911 37.251 1.00 0.00 ATOM 1148 CG HIS A 144 63.663 19.413 38.436 1.00 0.00 ATOM 1149 CD2 HIS A 144 63.254 19.048 39.674 1.00 0.00 ATOM 1150 ND1 HIS A 144 65.032 19.243 38.419 1.00 0.00 ATOM 1151 CE1 HIS A 144 65.431 18.797 39.596 1.00 0.00 ATOM 1152 NE2 HIS A 144 64.373 18.670 40.375 1.00 0.00 ATOM 1153 O HIS A 144 62.933 16.768 37.271 1.00 0.00 ATOM 1154 C HIS A 144 62.210 17.597 36.716 1.00 0.00 ATOM 1155 N HIS A 145 60.881 17.590 36.784 1.00 0.00 ATOM 1156 CA HIS A 145 60.157 16.496 37.445 1.00 0.00 ATOM 1157 CB HIS A 145 58.708 16.903 37.734 1.00 0.00 ATOM 1158 CG HIS A 145 58.579 17.955 38.792 1.00 0.00 ATOM 1159 CD2 HIS A 145 58.201 19.252 38.718 1.00 0.00 ATOM 1160 ND1 HIS A 145 58.855 17.710 40.122 1.00 0.00 ATOM 1161 CE1 HIS A 145 58.655 18.815 40.820 1.00 0.00 ATOM 1162 NE2 HIS A 145 58.257 19.764 39.992 1.00 0.00 ATOM 1163 O HIS A 145 59.704 14.189 37.147 1.00 0.00 ATOM 1164 C HIS A 145 60.158 15.201 36.628 1.00 0.00 ATOM 1165 N HIS A 146 60.407 15.330 35.327 1.00 0.00 ATOM 1166 CA HIS A 146 60.455 14.132 34.477 1.00 0.00 ATOM 1167 CB HIS A 146 60.391 14.577 33.006 1.00 0.00 ATOM 1168 CG HIS A 146 59.004 15.151 32.677 1.00 0.00 ATOM 1169 CD2 HIS A 146 58.668 16.440 32.600 1.00 0.00 ATOM 1170 ND1 HIS A 146 57.888 14.449 32.504 1.00 0.00 ATOM 1171 CE1 HIS A 146 56.877 15.290 32.369 1.00 0.00 ATOM 1172 NE2 HIS A 146 57.355 16.523 32.404 1.00 0.00 ATOM 1173 O HIS A 146 62.535 13.658 35.638 1.00 0.00 ATOM 1174 C HIS A 146 61.656 13.226 34.856 1.00 0.00 ENDMDL EXPDTA 2h6lA MODEL 2 REMARK 44 REMARK 44 model 2 is called 2h6lA ATOM 1 N MET 1 62.407 -5.292 38.246 1.00 0.00 ATOM 2 CA MET 1 62.087 -4.067 37.461 1.00 0.00 ATOM 3 CB MET 1 61.142 -3.171 38.262 1.00 0.00 ATOM 4 CG MET 1 60.855 -1.838 37.612 1.00 0.00 ATOM 5 SD MET 1 59.588 -0.793 38.629 1.00 0.00 ATOM 6 CE MET 1 60.640 -0.543 40.230 1.00 0.00 ATOM 7 O MET 1 64.239 -3.122 37.952 1.00 0.00 ATOM 8 C MET 1 63.357 -3.296 37.112 1.00 0.00 ATOM 9 N LYS 2 63.448 -2.843 35.866 1.00 0.00 ATOM 10 CA LYS 2 64.608 -2.083 35.416 1.00 0.00 ATOM 11 CB LYS 2 64.971 -2.455 33.977 1.00 0.00 ATOM 12 CG LYS 2 64.931 -3.941 33.679 1.00 0.00 ATOM 13 CD LYS 2 65.885 -4.715 34.563 1.00 0.00 ATOM 14 CE LYS 2 65.973 -6.168 34.116 1.00 0.00 ATOM 15 NZ LYS 2 66.461 -6.281 32.712 1.00 0.00 ATOM 16 O LYS 2 63.254 -0.152 34.977 1.00 0.00 ATOM 17 C LYS 2 64.283 -0.590 35.478 1.00 0.00 ATOM 18 N VAL 3 65.175 0.180 36.088 1.00 0.00 ATOM 19 CA VAL 3 64.984 1.615 36.228 1.00 0.00 ATOM 20 CB VAL 3 64.984 2.030 37.717 1.00 0.00 ATOM 21 CG1 VAL 3 64.762 3.530 37.834 1.00 0.00 ATOM 22 CG2 VAL 3 63.906 1.262 38.482 1.00 0.00 ATOM 23 O VAL 3 67.272 2.115 35.762 1.00 0.00 ATOM 24 C VAL 3 66.098 2.383 35.534 1.00 0.00 ATOM 25 N PHE 4 65.726 3.334 34.685 1.00 0.00 ATOM 26 CA PHE 4 66.712 4.165 33.995 1.00 0.00 ATOM 27 CB PHE 4 66.613 3.981 32.482 1.00 0.00 ATOM 28 CG PHE 4 66.788 2.557 32.042 1.00 0.00 ATOM 29 CD1 PHE 4 65.716 1.679 32.043 1.00 0.00 ATOM 30 CD2 PHE 4 68.040 2.081 31.671 1.00 0.00 ATOM 31 CE1 PHE 4 65.888 0.340 31.687 1.00 0.00 ATOM 32 CE2 PHE 4 68.223 0.747 31.315 1.00 0.00 ATOM 33 CZ PHE 4 67.147 -0.123 31.321 1.00 0.00 ATOM 34 O PHE 4 65.337 6.126 34.108 1.00 0.00 ATOM 35 C PHE 4 66.419 5.608 34.376 1.00 0.00 ATOM 36 N GLU 5 67.389 6.248 35.013 1.00 0.00 ATOM 37 CA GLU 5 67.227 7.617 35.474 1.00 0.00 ATOM 38 CB GLU 5 67.858 7.767 36.860 1.00 0.00 ATOM 39 CG GLU 5 67.563 9.088 37.558 1.00 0.00 ATOM 40 CD GLU 5 68.117 9.128 38.973 1.00 0.00 ATOM 41 OE1 GLU 5 68.140 8.063 39.622 1.00 0.00 ATOM 42 OE2 GLU 5 68.515 10.218 39.435 1.00 0.00 ATOM 43 O GLU 5 68.894 8.400 33.940 1.00 0.00 ATOM 44 C GLU 5 67.829 8.634 34.520 1.00 0.00 ATOM 45 N PHE 6 67.137 9.764 34.370 1.00 0.00 ATOM 46 CA PHE 6 67.584 10.836 33.487 1.00 0.00 ATOM 47 CB PHE 6 66.923 10.721 32.112 1.00 0.00 ATOM 48 CG PHE 6 67.008 9.354 31.487 1.00 0.00 ATOM 49 CD1 PHE 6 66.047 8.386 31.762 1.00 0.00 ATOM 50 CD2 PHE 6 68.022 9.055 30.578 1.00 0.00 ATOM 51 CE1 PHE 6 66.086 7.142 31.138 1.00 0.00 ATOM 52 CE2 PHE 6 68.077 7.811 29.945 1.00 0.00 ATOM 53 CZ PHE 6 67.108 6.852 30.221 1.00 0.00 ATOM 54 O PHE 6 66.552 12.363 35.045 1.00 0.00 ATOM 55 C PHE 6 67.245 12.224 34.034 1.00 0.00 ATOM 56 N GLU 7 67.748 13.244 33.344 1.00 0.00 ATOM 57 CA GLU 7 67.491 14.642 33.666 1.00 0.00 ATOM 58 CB GLU 7 68.788 15.402 33.943 1.00 0.00 ATOM 59 CG GLU 7 69.181 15.551 35.396 1.00 0.00 ATOM 60 CD GLU 7 70.503 16.299 35.552 1.00 0.00 ATOM 61 OE1 GLU 7 71.564 15.735 35.198 1.00 0.00 ATOM 62 OE2 GLU 7 70.481 17.457 36.018 1.00 0.00 ATOM 63 O GLU 7 67.258 14.812 31.294 1.00 0.00 ATOM 64 C GLU 7 66.882 15.211 32.396 1.00 0.00 ATOM 65 N VAL 8 65.940 16.133 32.541 1.00 0.00 ATOM 66 CA VAL 8 65.326 16.752 31.378 1.00 0.00 ATOM 67 CB VAL 8 63.791 16.805 31.514 1.00 0.00 ATOM 68 CG1 VAL 8 63.234 15.390 31.625 1.00 0.00 ATOM 69 CG2 VAL 8 63.400 17.631 32.728 1.00 0.00 ATOM 70 O VAL 8 66.271 18.762 32.280 1.00 0.00 ATOM 71 C VAL 8 65.887 18.168 31.274 1.00 0.00 ATOM 72 N GLY 9 65.940 18.701 30.059 1.00 0.00 ATOM 73 CA GLY 9 66.464 20.040 29.861 1.00 0.00 ATOM 74 O GLY 9 65.271 21.757 28.695 1.00 0.00 ATOM 75 C GLY 9 65.896 20.697 28.616 1.00 0.00 ATOM 76 N LYS 10 66.112 20.068 27.464 1.00 0.00 ATOM 77 CA LYS 10 65.611 20.598 26.199 1.00 0.00 ATOM 78 CB LYS 10 66.570 20.281 25.046 1.00 0.00 ATOM 79 CG LYS 10 67.788 21.190 24.927 1.00 0.00 ATOM 80 CD LYS 10 68.805 20.921 26.011 1.00 0.00 ATOM 81 CE LYS 10 70.119 21.632 25.711 1.00 0.00 ATOM 82 NZ LYS 10 70.708 21.179 24.420 1.00 0.00 ATOM 83 O LYS 10 63.752 19.090 26.445 1.00 0.00 ATOM 84 C LYS 10 64.243 20.041 25.837 1.00 0.00 ATOM 85 N GLY 11 63.638 20.658 24.830 1.00 0.00 ATOM 86 CA GLY 11 62.343 20.236 24.346 1.00 0.00 ATOM 87 O GLY 11 62.810 21.608 22.451 1.00 0.00 ATOM 88 C GLY 11 62.276 20.587 22.873 1.00 0.00 ATOM 89 N PHE 12 61.621 19.746 22.084 1.00 0.00 ATOM 90 CA PHE 12 61.519 19.996 20.655 1.00 0.00 ATOM 91 CB PHE 12 62.469 19.079 19.884 1.00 0.00 ATOM 92 CG PHE 12 63.917 19.324 20.165 1.00 0.00 ATOM 93 CD1 PHE 12 64.581 20.383 19.559 1.00 0.00 ATOM 94 CD2 PHE 12 64.625 18.482 21.016 1.00 0.00 ATOM 95 CE1 PHE 12 65.928 20.604 19.790 1.00 0.00 ATOM 96 CE2 PHE 12 65.977 18.690 21.260 1.00 0.00 ATOM 97 CZ PHE 12 66.633 19.752 20.645 1.00 0.00 ATOM 98 O PHE 12 59.457 18.798 20.460 1.00 0.00 ATOM 99 C PHE 12 60.126 19.766 20.107 1.00 0.00 ATOM 100 N LEU 13 59.691 20.674 19.243 1.00 0.00 ATOM 101 CA LEU 13 58.413 20.530 18.572 1.00 0.00 ATOM 102 CB LEU 13 57.514 21.745 18.808 1.00 0.00 ATOM 103 CG LEU 13 56.781 21.833 20.149 1.00 0.00 ATOM 104 CD1 LEU 13 55.916 23.103 20.177 1.00 0.00 ATOM 105 CD2 LEU 13 55.910 20.600 20.342 1.00 0.00 ATOM 106 O LEU 13 59.629 21.286 16.662 1.00 0.00 ATOM 107 C LEU 13 58.845 20.462 17.113 1.00 0.00 ATOM 108 N LEU 14 58.372 19.472 16.376 1.00 0.00 ATOM 109 CA LEU 14 58.782 19.377 14.986 1.00 0.00 ATOM 110 CB LEU 14 59.600 18.101 14.737 1.00 0.00 ATOM 111 CG LEU 14 60.455 17.483 15.840 1.00 0.00 ATOM 112 CD1 LEU 14 61.002 16.162 15.320 1.00 0.00 ATOM 113 CD2 LEU 14 61.593 18.407 16.261 1.00 0.00 ATOM 114 O LEU 14 56.533 18.818 14.404 1.00 0.00 ATOM 115 C LEU 14 57.591 19.347 14.059 1.00 0.00 ATOM 116 N ARG 15 57.766 19.936 12.883 1.00 0.00 ATOM 117 CA ARG 15 56.734 19.909 11.857 1.00 0.00 ATOM 118 CB ARG 15 56.521 21.295 11.227 1.00 0.00 ATOM 119 CG ARG 15 55.653 21.241 9.966 1.00 0.00 ATOM 120 CD ARG 15 55.446 22.602 9.306 1.00 0.00 ATOM 121 NE ARG 15 54.748 22.450 8.034 1.00 0.00 ATOM 122 CZ ARG 15 54.282 23.451 7.287 1.00 0.00 ATOM 123 NH1 ARG 15 54.433 24.715 7.666 1.00 0.00 ATOM 124 NH2 ARG 15 53.642 23.178 6.160 1.00 0.00 ATOM 125 O ARG 15 58.300 19.302 10.158 1.00 0.00 ATOM 126 C ARG 15 57.325 18.960 10.823 1.00 0.00 ATOM 127 N LEU 16 56.756 17.763 10.713 1.00 0.00 ATOM 128 CA LEU 16 57.236 16.769 9.761 1.00 0.00 ATOM 129 CB LEU 16 56.651 15.395 10.092 1.00 0.00 ATOM 130 CG LEU 16 57.425 14.565 11.117 1.00 0.00 ATOM 131 CD1 LEU 16 57.869 15.439 12.264 1.00 0.00 ATOM 132 CD2 LEU 16 56.562 13.416 11.602 1.00 0.00 ATOM 133 O LEU 16 55.953 17.900 8.096 1.00 0.00 ATOM 134 C LEU 16 56.877 17.129 8.332 1.00 0.00 ATOM 135 N ASP 17 57.613 16.560 7.384 1.00 0.00 ATOM 136 CA ASP 17 57.369 16.812 5.969 1.00 0.00 ATOM 137 CB ASP 17 58.644 16.575 5.152 1.00 0.00 ATOM 138 CG ASP 17 59.738 17.563 5.483 1.00 0.00 ATOM 139 OD1 ASP 17 59.466 18.780 5.467 1.00 0.00 ATOM 140 OD2 ASP 17 60.874 17.126 5.754 1.00 0.00 ATOM 141 O ASP 17 56.178 14.740 5.679 1.00 0.00 ATOM 142 C ASP 17 56.261 15.941 5.398 1.00 0.00 ATOM 143 N TYR 18 55.414 16.563 4.587 1.00 0.00 ATOM 144 CA TYR 18 54.312 15.881 3.934 1.00 0.00 ATOM 145 CB TYR 18 53.486 16.916 3.156 1.00 0.00 ATOM 146 CG TYR 18 52.434 16.346 2.233 1.00 0.00 ATOM 147 CD1 TYR 18 52.779 15.806 0.992 1.00 0.00 ATOM 148 CD2 TYR 18 51.087 16.366 2.589 1.00 0.00 ATOM 149 CE1 TYR 18 51.805 15.300 0.128 1.00 0.00 ATOM 150 CE2 TYR 18 50.112 15.866 1.737 1.00 0.00 ATOM 151 CZ TYR 18 50.475 15.335 0.507 1.00 0.00 ATOM 152 OH TYR 18 49.509 14.851 -0.338 1.00 0.00 ATOM 153 O TYR 18 55.860 15.000 2.317 1.00 0.00 ATOM 154 C TYR 18 54.849 14.800 2.988 1.00 0.00 ATOM 155 N GLY 19 54.181 13.653 2.953 1.00 0.00 ATOM 156 CA GLY 19 54.595 12.577 2.065 1.00 0.00 ATOM 157 O GLY 19 56.098 10.762 1.743 1.00 0.00 ATOM 158 C GLY 19 55.771 11.698 2.466 1.00 0.00 ATOM 159 N LYS 20 56.409 11.980 3.597 1.00 0.00 ATOM 160 CA LYS 20 57.549 11.180 4.051 1.00 0.00 ATOM 161 CB LYS 20 58.707 12.094 4.465 1.00 0.00 ATOM 162 CG LYS 20 59.202 13.019 3.367 1.00 0.00 ATOM 163 CD LYS 20 59.841 12.237 2.227 1.00 0.00 ATOM 164 CE LYS 20 60.372 13.180 1.146 1.00 0.00 ATOM 165 NZ LYS 20 61.181 12.462 0.117 1.00 0.00 ATOM 166 O LYS 20 56.174 10.657 5.933 1.00 0.00 ATOM 167 C LYS 20 57.137 10.327 5.247 1.00 0.00 ATOM 168 N ASP 21 57.877 9.249 5.509 1.00 0.00 ATOM 169 CA ASP 21 57.556 8.365 6.631 1.00 0.00 ATOM 170 CB ASP 21 58.435 7.113 6.613 1.00 0.00 ATOM 171 CG ASP 21 58.027 6.108 7.680 1.00 0.00 ATOM 172 OD1 ASP 21 56.959 5.486 7.525 1.00 0.00 ATOM 173 OD2 ASP 21 58.759 5.952 8.679 1.00 0.00 ATOM 174 O ASP 21 58.698 9.693 8.280 1.00 0.00 ATOM 175 C ASP 21 57.698 9.041 7.989 1.00 0.00 ATOM 176 N LEU 22 56.692 8.854 8.830 1.00 0.00 ATOM 177 CA LEU 22 56.682 9.456 10.149 1.00 0.00 ATOM 178 CB LEU 22 55.345 9.152 10.838 1.00 0.00 ATOM 179 CG LEU 22 54.900 10.158 11.902 1.00 0.00 ATOM 180 CD1 LEU 22 53.468 9.883 12.337 1.00 0.00 ATOM 181 CD2 LEU 22 55.849 10.084 13.074 1.00 0.00 ATOM 182 O LEU 22 58.619 9.774 11.518 1.00 0.00 ATOM 183 C LEU 22 57.851 8.970 11.004 1.00 0.00 ATOM 184 N VAL 23 57.993 7.653 11.142 1.00 0.00 ATOM 185 CA VAL 23 59.072 7.097 11.947 1.00 0.00 ATOM 186 CB VAL 23 59.016 5.557 11.983 1.00 0.00 ATOM 187 CG1 VAL 23 60.039 5.023 12.981 1.00 0.00 ATOM 188 CG2 VAL 23 57.621 5.097 12.346 1.00 0.00 ATOM 189 O VAL 23 61.306 7.924 12.199 1.00 0.00 ATOM 190 C VAL 23 60.444 7.510 11.429 1.00 0.00 ATOM 191 N ARG 24 60.647 7.401 10.120 1.00 0.00 ATOM 192 CA ARG 24 61.933 7.752 9.521 1.00 0.00 ATOM 193 CB ARG 24 61.907 7.485 8.014 1.00 0.00 ATOM 194 CG ARG 24 61.644 6.029 7.649 1.00 0.00 ATOM 195 CD ARG 24 62.761 5.114 8.123 1.00 0.00 ATOM 196 NE ARG 24 62.440 3.707 7.896 1.00 0.00 ATOM 197 CZ ARG 24 63.275 2.697 8.123 1.00 0.00 ATOM 198 NH1 ARG 24 64.496 2.930 8.586 1.00 0.00 ATOM 199 NH2 ARG 24 62.888 1.451 7.892 1.00 0.00 ATOM 200 O ARG 24 63.543 9.454 10.041 1.00 0.00 ATOM 201 C ARG 24 62.366 9.194 9.772 1.00 0.00 ATOM 202 N GLN 25 61.427 10.132 9.682 1.00 0.00 ATOM 203 CA GLN 25 61.752 11.537 9.903 1.00 0.00 ATOM 204 CB GLN 25 60.546 12.419 9.604 1.00 0.00 ATOM 205 CG GLN 25 60.147 12.399 8.147 1.00 0.00 ATOM 206 CD GLN 25 59.112 13.448 7.809 1.00 0.00 ATOM 207 OE1 GLN 25 59.368 14.646 7.915 1.00 0.00 ATOM 208 NE2 GLN 25 57.934 13.000 7.400 1.00 0.00 ATOM 209 O GLN 25 63.205 12.483 11.549 1.00 0.00 ATOM 210 C GLN 25 62.223 11.784 11.325 1.00 0.00 ATOM 211 N ILE 26 61.519 11.208 12.289 1.00 0.00 ATOM 212 CA ILE 26 61.902 11.374 13.678 1.00 0.00 ATOM 213 CB ILE 26 60.894 10.661 14.617 1.00 0.00 ATOM 214 CG1 ILE 26 59.533 11.369 14.523 1.00 0.00 ATOM 215 CG2 ILE 26 61.423 10.654 16.057 1.00 0.00 ATOM 216 CD1 ILE 26 58.445 10.802 15.429 1.00 0.00 ATOM 217 O ILE 26 64.166 11.446 14.473 1.00 0.00 ATOM 218 C ILE 26 63.301 10.802 13.881 1.00 0.00 ATOM 219 N GLU 27 63.527 9.596 13.374 1.00 0.00 ATOM 220 CA GLU 27 64.830 8.961 13.518 1.00 0.00 ATOM 221 CB GLU 27 64.818 7.559 12.890 1.00 0.00 ATOM 222 CG GLU 27 63.721 6.656 13.468 1.00 0.00 ATOM 223 CD GLU 27 64.056 5.174 13.407 1.00 0.00 ATOM 224 OE1 GLU 27 64.627 4.730 12.387 1.00 0.00 ATOM 225 OE2 GLU 27 63.733 4.448 14.379 1.00 0.00 ATOM 226 O GLU 27 67.049 9.847 13.440 1.00 0.00 ATOM 227 C GLU 27 65.941 9.814 12.915 1.00 0.00 ATOM 228 N GLU 28 65.653 10.513 11.821 1.00 0.00 ATOM 229 CA GLU 28 66.672 11.361 11.213 1.00 0.00 ATOM 230 CB GLU 28 66.204 11.879 9.851 1.00 0.00 ATOM 231 CG GLU 28 66.174 10.801 8.772 1.00 0.00 ATOM 232 CD GLU 28 65.554 11.284 7.474 1.00 0.00 ATOM 233 OE1 GLU 28 66.020 12.311 6.936 1.00 0.00 ATOM 234 OE2 GLU 28 64.601 10.634 6.993 1.00 0.00 ATOM 235 O GLU 28 68.112 12.910 12.347 1.00 0.00 ATOM 236 C GLU 28 66.960 12.520 12.154 1.00 0.00 ATOM 237 N PHE 29 65.908 13.070 12.748 1.00 0.00 ATOM 238 CA PHE 29 66.072 14.170 13.682 1.00 0.00 ATOM 239 CB PHE 29 64.713 14.612 14.214 1.00 0.00 ATOM 240 CG PHE 29 64.807 15.616 15.318 1.00 0.00 ATOM 241 CD1 PHE 29 65.244 16.907 15.060 1.00 0.00 ATOM 242 CD2 PHE 29 64.497 15.259 16.628 1.00 0.00 ATOM 243 CE1 PHE 29 65.376 17.832 16.090 1.00 0.00 ATOM 244 CE2 PHE 29 64.623 16.174 17.666 1.00 0.00 ATOM 245 CZ PHE 29 65.065 17.467 17.397 1.00 0.00 ATOM 246 O PHE 29 67.880 14.468 15.250 1.00 0.00 ATOM 247 C PHE 29 66.953 13.751 14.863 1.00 0.00 ATOM 248 N LEU 30 66.653 12.588 15.434 1.00 0.00 ATOM 249 CA LEU 30 67.399 12.073 16.578 1.00 0.00 ATOM 250 CB LEU 30 66.786 10.743 17.045 1.00 0.00 ATOM 251 CG LEU 30 65.301 10.841 17.426 1.00 0.00 ATOM 252 CD1 LEU 30 64.695 9.457 17.659 1.00 0.00 ATOM 253 CD2 LEU 30 65.182 11.694 18.670 1.00 0.00 ATOM 254 O LEU 30 69.739 12.238 17.081 1.00 0.00 ATOM 255 C LEU 30 68.881 11.888 16.267 1.00 0.00 ATOM 256 N GLU 31 69.179 11.328 15.097 1.00 0.00 ATOM 257 CA GLU 31 70.566 11.103 14.682 1.00 0.00 ATOM 258 CB GLU 31 70.610 10.388 13.325 1.00 0.00 ATOM 259 CG GLU 31 70.039 8.971 13.318 1.00 0.00 ATOM 260 CD GLU 31 71.068 7.910 13.688 1.00 0.00 ATOM 261 OE1 GLU 31 71.761 8.079 14.715 1.00 0.00 ATOM 262 OE2 GLU 31 71.179 6.902 12.952 1.00 0.00 ATOM 263 O GLU 31 72.443 12.574 15.004 1.00 0.00 ATOM 264 C GLU 31 71.299 12.437 14.573 1.00 0.00 ATOM 265 N GLU 32 70.622 13.423 13.996 1.00 0.00 ATOM 266 CA GLU 32 71.195 14.751 13.819 1.00 0.00 ATOM 267 CB GLU 32 70.230 15.624 13.018 1.00 0.00 ATOM 268 CG GLU 32 70.588 17.097 12.996 1.00 0.00 ATOM 269 CD GLU 32 69.619 17.909 12.167 1.00 0.00 ATOM 270 OE1 GLU 32 68.403 17.847 12.450 1.00 0.00 ATOM 271 OE2 GLU 32 70.075 18.608 11.234 1.00 0.00 ATOM 272 O GLU 32 72.565 16.066 15.285 1.00 0.00 ATOM 273 C GLU 32 71.522 15.422 15.143 1.00 0.00 ATOM 274 N LYS 33 70.631 15.275 16.116 1.00 0.00 ATOM 275 CA LYS 33 70.838 15.882 17.426 1.00 0.00 ATOM 276 CB LYS 33 69.494 16.252 18.063 1.00 0.00 ATOM 277 CG LYS 33 68.728 17.326 17.315 1.00 0.00 ATOM 278 CD LYS 33 69.492 18.645 17.303 1.00 0.00 ATOM 279 CE LYS 33 68.789 19.690 16.445 1.00 0.00 ATOM 280 NZ LYS 33 69.547 20.977 16.401 1.00 0.00 ATOM 281 O LYS 33 72.065 15.403 19.417 1.00 0.00 ATOM 282 C LYS 33 71.602 14.968 18.370 1.00 0.00 ATOM 283 N GLY 34 71.741 13.702 17.994 1.00 0.00 ATOM 284 CA GLY 34 72.440 12.766 18.853 1.00 0.00 ATOM 285 O GLY 34 72.205 12.253 21.178 1.00 0.00 ATOM 286 C GLY 34 71.639 12.420 20.099 1.00 0.00 ATOM 287 N ILE 35 70.320 12.325 19.954 1.00 0.00 ATOM 288 CA ILE 35 69.447 11.973 21.077 1.00 0.00 ATOM 289 CB ILE 35 68.015 12.535 20.887 1.00 0.00 ATOM 290 CG1 ILE 35 68.061 14.032 20.564 1.00 0.00 ATOM 291 CG2 ILE 35 67.196 12.293 22.148 1.00 0.00 ATOM 292 CD1 ILE 35 68.618 14.873 21.664 1.00 0.00 ATOM 293 O ILE 35 68.907 9.827 20.164 1.00 0.00 ATOM 294 C ILE 35 69.347 10.446 21.128 1.00 0.00 ATOM 295 N HIS 36 69.745 9.842 22.243 1.00 0.00 ATOM 296 CA HIS 36 69.701 8.386 22.373 1.00 0.00 ATOM 297 CB HIS 36 71.049 7.866 22.879 1.00 0.00 ATOM 298 CG HIS 36 72.187 8.134 21.944 1.00 0.00 ATOM 299 CD2 HIS 36 72.209 8.660 20.695 1.00 0.00 ATOM 300 ND1 HIS 36 73.498 7.853 22.264 1.00 0.00 ATOM 301 CE1 HIS 36 74.279 8.196 21.254 1.00 0.00 ATOM 302 NE2 HIS 36 73.521 8.688 20.290 1.00 0.00 ATOM 303 O HIS 36 68.298 6.677 23.293 1.00 0.00 ATOM 304 C HIS 36 68.592 7.872 23.279 1.00 0.00 ATOM 305 N ALA 37 67.979 8.776 24.036 1.00 0.00 ATOM 306 CA ALA 37 66.895 8.415 24.941 1.00 0.00 ATOM 307 CB ALA 37 67.451 8.141 26.337 1.00 0.00 ATOM 308 O ALA 37 66.316 10.729 25.111 1.00 0.00 ATOM 309 C ALA 37 65.910 9.578 24.981 1.00 0.00 ATOM 310 N ALA 38 64.621 9.282 24.859 1.00 0.00 ATOM 311 CA ALA 38 63.609 10.334 24.874 1.00 0.00 ATOM 312 CB ALA 38 63.758 11.210 23.633 1.00 0.00 ATOM 313 O ALA 38 61.934 8.619 24.759 1.00 0.00 ATOM 314 C ALA 38 62.185 9.810 24.944 1.00 0.00 ATOM 315 N HIS 39 61.261 10.721 25.237 1.00 0.00 ATOM 316 CA HIS 39 59.842 10.408 25.286 1.00 0.00 ATOM 317 CB HIS 39 59.185 11.004 26.528 1.00 0.00 ATOM 318 CG HIS 39 57.703 10.801 26.575 1.00 0.00 ATOM 319 CD2 HIS 39 56.954 9.681 26.442 1.00 0.00 ATOM 320 ND1 HIS 39 56.816 11.834 26.793 1.00 0.00 ATOM 321 CE1 HIS 39 55.584 11.358 26.794 1.00 0.00 ATOM 322 NE2 HIS 39 55.640 10.054 26.583 1.00 0.00 ATOM 323 O HIS 39 59.678 12.207 23.720 1.00 0.00 ATOM 324 C HIS 39 59.281 11.087 24.044 1.00 0.00 ATOM 325 N ILE 40 58.365 10.414 23.356 1.00 0.00 ATOM 326 CA ILE 40 57.784 10.941 22.129 1.00 0.00 ATOM 327 CB ILE 40 58.141 10.051 20.929 1.00 0.00 ATOM 328 CG1 ILE 40 59.654 10.043 20.708 1.00 0.00 ATOM 329 CG2 ILE 40 57.394 10.524 19.692 1.00 0.00 ATOM 330 CD1 ILE 40 60.104 8.991 19.703 1.00 0.00 ATOM 331 O ILE 40 55.596 10.145 22.683 1.00 0.00 ATOM 332 C ILE 40 56.270 11.030 22.160 1.00 0.00 ATOM 333 N SER 41 55.745 12.093 21.560 1.00 0.00 ATOM 334 CA SER 41 54.309 12.293 21.474 1.00 0.00 ATOM 335 CB SER 41 53.819 13.087 22.676 1.00 0.00 ATOM 336 OG SER 41 52.417 13.239 22.621 1.00 0.00 ATOM 337 O SER 41 54.791 13.894 19.757 1.00 0.00 ATOM 338 C SER 41 54.002 13.059 20.183 1.00 0.00 ATOM 339 N ALA 42 52.867 12.770 19.556 1.00 0.00 ATOM 340 CA ALA 42 52.505 13.469 18.326 1.00 0.00 ATOM 341 CB ALA 42 53.300 12.896 17.144 1.00 0.00 ATOM 342 O ALA 42 50.305 12.539 18.532 1.00 0.00 ATOM 343 C ALA 42 51.019 13.401 18.021 1.00 0.00 ATOM 344 N ILE 43 50.556 14.339 17.200 1.00 0.00 ATOM 345 CA ILE 43 49.167 14.374 16.766 1.00 0.00 ATOM 346 CB ILE 43 48.277 15.321 17.614 1.00 0.00 ATOM 347 CG1 ILE 43 48.803 16.756 17.552 1.00 0.00 ATOM 348 CG2 ILE 43 48.201 14.828 19.051 1.00 0.00 ATOM 349 CD1 ILE 43 47.826 17.779 18.159 1.00 0.00 ATOM 350 O ILE 43 50.211 15.373 14.866 1.00 0.00 ATOM 351 C ILE 43 49.190 14.879 15.332 1.00 0.00 ATOM 352 N GLY 44 48.069 14.758 14.635 1.00 0.00 ATOM 353 CA GLY 44 48.027 15.212 13.259 1.00 0.00 ATOM 354 O GLY 44 46.262 13.675 12.866 1.00 0.00 ATOM 355 C GLY 44 47.257 14.228 12.413 1.00 0.00 ATOM 356 N ALA 45 47.708 14.007 11.183 1.00 0.00 ATOM 357 CA ALA 45 47.030 13.075 10.295 1.00 0.00 ATOM 358 CB ALA 45 45.941 13.800 9.505 1.00 0.00 ATOM 359 O ALA 45 49.071 13.009 9.047 1.00 0.00 ATOM 360 C ALA 45 48.028 12.433 9.343 1.00 0.00 ATOM 361 N VAL 46 47.683 11.244 8.862 1.00 0.00 ATOM 362 CA VAL 46 48.530 10.493 7.943 1.00 0.00 ATOM 363 CB VAL 46 49.082 9.208 8.611 1.00 0.00 ATOM 364 CG1 VAL 46 49.887 9.564 9.855 1.00 0.00 ATOM 365 CG2 VAL 46 47.941 8.283 8.972 1.00 0.00 ATOM 366 O VAL 46 46.509 9.991 6.757 1.00 0.00 ATOM 367 C VAL 46 47.734 10.087 6.710 1.00 0.00 ATOM 368 N ARG 47 48.440 9.837 5.612 1.00 0.00 ATOM 369 CA ARG 47 47.811 9.427 4.358 1.00 0.00 ATOM 370 CB ARG 47 48.647 9.925 3.177 1.00 0.00 ATOM 371 CG ARG 47 48.981 11.420 3.248 1.00 0.00 ATOM 372 CD ARG 47 49.628 11.878 1.944 1.00 0.00 ATOM 373 NE ARG 47 48.702 11.771 0.818 1.00 0.00 ATOM 374 CZ ARG 47 49.078 11.602 -0.446 1.00 0.00 ATOM 375 NH1 ARG 47 50.368 11.517 -0.751 1.00 0.00 ATOM 376 NH2 ARG 47 48.163 11.518 -1.406 1.00 0.00 ATOM 377 O ARG 47 46.856 7.382 3.521 1.00 0.00 ATOM 378 C ARG 47 47.662 7.908 4.289 1.00 0.00 ATOM 379 N SER 48 48.452 7.204 5.092 1.00 0.00 ATOM 380 CA SER 48 48.392 5.746 5.133 1.00 0.00 ATOM 381 CB SER 48 48.877 5.146 3.816 1.00 0.00 ATOM 382 OG SER 48 50.254 5.427 3.623 1.00 0.00 ATOM 383 O SER 48 50.010 6.057 6.858 1.00 0.00 ATOM 384 C SER 48 49.290 5.268 6.256 1.00 0.00 ATOM 385 N ALA 49 49.274 3.970 6.526 1.00 0.00 ATOM 386 CA ALA 49 50.102 3.470 7.601 1.00 0.00 ATOM 387 CB ALA 49 49.576 4.009 8.933 1.00 0.00 ATOM 388 O ALA 49 49.398 1.260 7.001 1.00 0.00 ATOM 389 C ALA 49 50.165 1.963 7.660 1.00 0.00 ATOM 390 N VAL 50 51.109 1.479 8.458 1.00 0.00 ATOM 391 CA VAL 50 51.268 0.058 8.694 1.00 0.00 ATOM 392 CB VAL 50 52.510 -0.527 7.988 1.00 0.00 ATOM 393 CG1 VAL 50 52.658 -2.006 8.358 1.00 0.00 ATOM 394 CG2 VAL 50 52.368 -0.386 6.467 1.00 0.00 ATOM 395 O VAL 50 52.364 0.429 10.792 1.00 0.00 ATOM 396 C VAL 50 51.425 -0.095 10.199 1.00 0.00 ATOM 397 N ILE 51 50.479 -0.792 10.814 1.00 0.00 ATOM 398 CA ILE 51 50.501 -1.017 12.250 1.00 0.00 ATOM 399 CB ILE 51 49.266 -0.397 12.939 1.00 0.00 ATOM 400 CG1 ILE 51 47.991 -1.067 12.423 1.00 0.00 ATOM 401 CG2 ILE 51 49.219 1.109 12.675 1.00 0.00 ATOM 402 CD1 ILE 51 46.743 -0.677 13.186 1.00 0.00 ATOM 403 O ILE 51 50.534 -3.303 11.534 1.00 0.00 ATOM 404 C ILE 51 50.478 -2.520 12.482 1.00 0.00 ATOM 405 N GLY 52 50.389 -2.932 13.737 1.00 0.00 ATOM 406 CA GLY 52 50.350 -4.356 13.999 1.00 0.00 ATOM 407 O GLY 52 50.408 -3.816 16.315 1.00 0.00 ATOM 408 C GLY 52 50.228 -4.681 15.461 1.00 0.00 ATOM 409 N TYR 53 49.898 -5.929 15.755 1.00 0.00 ATOM 410 CA TYR 53 49.785 -6.344 17.138 1.00 0.00 ATOM 411 CB TYR 53 48.330 -6.657 17.487 1.00 0.00 ATOM 412 CG TYR 53 47.721 -7.821 16.756 1.00 0.00 ATOM 413 CD1 TYR 53 47.926 -9.129 17.199 1.00 0.00 ATOM 414 CD2 TYR 53 46.899 -7.619 15.648 1.00 0.00 ATOM 415 CE1 TYR 53 47.320 -10.206 16.560 1.00 0.00 ATOM 416 CE2 TYR 53 46.290 -8.691 15.001 1.00 0.00 ATOM 417 CZ TYR 53 46.501 -9.985 15.466 1.00 0.00 ATOM 418 OH TYR 53 45.871 -11.044 14.859 1.00 0.00 ATOM 419 O TYR 53 50.994 -8.282 16.396 1.00 0.00 ATOM 420 C TYR 53 50.699 -7.545 17.341 1.00 0.00 ATOM 421 N TYR 54 51.161 -7.728 18.570 1.00 0.00 ATOM 422 CA TYR 54 52.073 -8.813 18.881 1.00 0.00 ATOM 423 CB TYR 54 53.105 -8.312 19.888 1.00 0.00 ATOM 424 CG TYR 54 54.298 -9.210 20.060 1.00 0.00 ATOM 425 CD1 TYR 54 55.202 -9.410 19.015 1.00 0.00 ATOM 426 CD2 TYR 54 54.535 -9.858 21.277 1.00 0.00 ATOM 427 CE1 TYR 54 56.319 -10.232 19.176 1.00 0.00 ATOM 428 CE2 TYR 54 55.649 -10.685 21.452 1.00 0.00 ATOM 429 CZ TYR 54 56.537 -10.867 20.400 1.00 0.00 ATOM 430 OH TYR 54 57.641 -11.661 20.575 1.00 0.00 ATOM 431 O TYR 54 50.724 -10.023 20.468 1.00 0.00 ATOM 432 C TYR 54 51.385 -10.064 19.427 1.00 0.00 ATOM 433 N ASP 55 51.525 -11.175 18.713 1.00 0.00 ATOM 434 CA ASP 55 50.949 -12.428 19.187 1.00 0.00 ATOM 435 CB ASP 55 50.958 -13.486 18.087 1.00 0.00 ATOM 436 CG ASP 55 50.261 -14.763 18.511 1.00 0.00 ATOM 437 OD1 ASP 55 50.586 -15.279 19.600 1.00 0.00 ATOM 438 OD2 ASP 55 49.393 -15.250 17.761 1.00 0.00 ATOM 439 O ASP 55 53.059 -13.144 20.085 1.00 0.00 ATOM 440 C ASP 55 51.892 -12.830 20.319 1.00 0.00 ATOM 441 N GLN 56 51.385 -12.806 21.544 1.00 0.00 ATOM 442 CA GLN 56 52.195 -13.115 22.711 1.00 0.00 ATOM 443 CB GLN 56 51.497 -12.575 23.968 1.00 0.00 ATOM 444 CG GLN 56 51.218 -11.073 23.881 1.00 0.00 ATOM 445 CD GLN 56 50.517 -10.505 25.111 1.00 0.00 ATOM 446 OE1 GLN 56 50.098 -9.347 25.114 1.00 0.00 ATOM 447 NE2 GLN 56 50.394 -11.309 26.155 1.00 0.00 ATOM 448 O GLN 56 53.450 -14.890 23.708 1.00 0.00 ATOM 449 C GLN 56 52.578 -14.584 22.898 1.00 0.00 ATOM 450 N GLU 57 51.942 -15.482 22.150 1.00 0.00 ATOM 451 CA GLU 57 52.255 -16.911 22.254 1.00 0.00 ATOM 452 CB GLU 57 50.975 -17.751 22.239 1.00 0.00 ATOM 453 CG GLU 57 50.069 -17.565 23.446 1.00 0.00 ATOM 454 CD GLU 57 50.797 -17.753 24.765 1.00 0.00 ATOM 455 OE1 GLU 57 51.704 -18.612 24.832 1.00 0.00 ATOM 456 OE2 GLU 57 50.456 -17.050 25.740 1.00 0.00 ATOM 457 O GLU 57 54.175 -18.051 21.355 1.00 0.00 ATOM 458 C GLU 57 53.178 -17.370 21.118 1.00 0.00 ATOM 459 N LYS 58 52.837 -17.007 19.885 1.00 0.00 ATOM 460 CA LYS 58 53.661 -17.366 18.736 1.00 0.00 ATOM 461 CB LYS 58 52.903 -17.135 17.429 1.00 0.00 ATOM 462 CG LYS 58 51.696 -18.044 17.226 1.00 0.00 ATOM 463 CD LYS 58 50.974 -17.698 15.926 1.00 0.00 ATOM 464 CE LYS 58 49.758 -18.586 15.690 1.00 0.00 ATOM 465 NZ LYS 58 50.124 -20.014 15.480 1.00 0.00 ATOM 466 O LYS 58 55.909 -16.804 18.115 1.00 0.00 ATOM 467 C LYS 58 54.907 -16.497 18.761 1.00 0.00 ATOM 468 N LYS 59 54.832 -15.402 19.510 1.00 0.00 ATOM 469 CA LYS 59 55.959 -14.488 19.646 1.00 0.00 ATOM 470 CB LYS 59 57.160 -15.227 20.259 1.00 0.00 ATOM 471 CG LYS 59 56.916 -15.716 21.685 1.00 0.00 ATOM 472 CD LYS 59 57.803 -16.907 22.047 1.00 0.00 ATOM 473 CE LYS 59 59.259 -16.511 22.228 1.00 0.00 ATOM 474 NZ LYS 59 59.449 -15.657 23.434 1.00 0.00 ATOM 475 O LYS 59 57.530 -13.885 17.930 1.00 0.00 ATOM 476 C LYS 59 56.365 -13.841 18.327 1.00 0.00 ATOM 477 N GLU 60 55.396 -13.246 17.643 1.00 0.00 ATOM 478 CA GLU 60 55.671 -12.561 16.390 1.00 0.00 ATOM 479 CB GLU 60 55.802 -13.568 15.236 1.00 0.00 ATOM 480 CG GLU 60 54.529 -14.282 14.812 1.00 0.00 ATOM 481 CD GLU 60 54.805 -15.409 13.814 1.00 0.00 ATOM 482 OE1 GLU 60 55.251 -16.496 14.241 1.00 0.00 ATOM 483 OE2 GLU 60 54.592 -15.204 12.600 1.00 0.00 ATOM 484 O GLU 60 53.444 -11.627 16.517 1.00 0.00 ATOM 485 C GLU 60 54.601 -11.509 16.094 1.00 0.00 ATOM 486 N TYR 61 55.000 -10.458 15.392 1.00 0.00 ATOM 487 CA TYR 61 54.066 -9.393 15.066 1.00 0.00 ATOM 488 CB TYR 61 54.830 -8.128 14.676 1.00 0.00 ATOM 489 CG TYR 61 55.346 -7.330 15.856 1.00 0.00 ATOM 490 CD1 TYR 61 54.472 -6.598 16.662 1.00 0.00 ATOM 491 CD2 TYR 61 56.705 -7.297 16.163 1.00 0.00 ATOM 492 CE1 TYR 61 54.941 -5.848 17.745 1.00 0.00 ATOM 493 CE2 TYR 61 57.183 -6.551 17.245 1.00 0.00 ATOM 494 CZ TYR 61 56.294 -5.828 18.030 1.00 0.00 ATOM 495 OH TYR 61 56.749 -5.084 19.093 1.00 0.00 ATOM 496 O TYR 61 53.431 -10.674 13.130 1.00 0.00 ATOM 497 C TYR 61 53.117 -9.802 13.947 1.00 0.00 ATOM 498 N VAL 62 51.941 -9.182 13.947 1.00 0.00 ATOM 499 CA VAL 62 50.911 -9.415 12.948 1.00 0.00 ATOM 500 CB VAL 62 49.685 -10.108 13.563 1.00 0.00 ATOM 501 CG1 VAL 62 48.612 -10.296 12.515 1.00 0.00 ATOM 502 CG2 VAL 62 50.093 -11.457 14.153 1.00 0.00 ATOM 503 O VAL 62 49.901 -7.274 13.259 1.00 0.00 ATOM 504 C VAL 62 50.530 -8.011 12.506 1.00 0.00 ATOM 505 N LYS 63 50.916 -7.636 11.293 1.00 0.00 ATOM 506 CA LYS 63 50.640 -6.293 10.814 1.00 0.00 ATOM 507 CB LYS 63 51.836 -5.767 10.013 1.00 0.00 ATOM 508 CG LYS 63 52.272 -6.647 8.854 1.00 0.00 ATOM 509 CD LYS 63 53.463 -6.041 8.114 1.00 0.00 ATOM 510 CE LYS 63 54.671 -5.879 9.026 1.00 0.00 ATOM 511 NZ LYS 63 55.816 -5.211 8.338 1.00 0.00 ATOM 512 O LYS 63 48.796 -7.038 9.455 1.00 0.00 ATOM 513 C LYS 63 49.364 -6.098 10.016 1.00 0.00 ATOM 514 N LYS 64 48.913 -4.849 9.997 1.00 0.00 ATOM 515 CA LYS 64 47.713 -4.461 9.281 1.00 0.00 ATOM 516 CB LYS 64 46.586 -4.117 10.262 1.00 0.00 ATOM 517 CG LYS 64 45.279 -3.753 9.576 1.00 0.00 ATOM 518 CD LYS 64 44.171 -3.449 10.569 1.00 0.00 ATOM 519 CE LYS 64 42.865 -3.202 9.839 1.00 0.00 ATOM 520 NZ LYS 64 42.593 -4.306 8.875 1.00 0.00 ATOM 521 O LYS 64 48.687 -2.298 8.901 1.00 0.00 ATOM 522 C LYS 64 48.049 -3.243 8.430 1.00 0.00 ATOM 523 N GLU 65 47.639 -3.284 7.170 1.00 0.00 ATOM 524 CA GLU 65 47.892 -2.183 6.255 1.00 0.00 ATOM 525 CB GLU 65 48.232 -2.706 4.860 1.00 0.00 ATOM 526 CG GLU 65 49.646 -3.233 4.726 1.00 0.00 ATOM 527 CD GLU 65 49.898 -3.856 3.369 1.00 0.00 ATOM 528 OE1 GLU 65 49.546 -5.042 3.182 1.00 0.00 ATOM 529 OE2 GLU 65 50.435 -3.152 2.485 1.00 0.00 ATOM 530 O GLU 65 45.540 -1.841 6.160 1.00 0.00 ATOM 531 C GLU 65 46.655 -1.328 6.180 1.00 0.00 ATOM 532 N LEU 66 46.864 -0.021 6.154 1.00 0.00 ATOM 533 CA LEU 66 45.774 0.937 6.070 1.00 0.00 ATOM 534 CB LEU 66 45.608 1.666 7.400 1.00 0.00 ATOM 535 CG LEU 66 45.136 0.827 8.588 1.00 0.00 ATOM 536 CD1 LEU 66 45.396 1.595 9.869 1.00 0.00 ATOM 537 CD2 LEU 66 43.650 0.491 8.436 1.00 0.00 ATOM 538 O LEU 66 47.011 2.772 5.179 1.00 0.00 ATOM 539 C LEU 66 46.132 1.937 4.986 1.00 0.00 ATOM 540 N MET 67 45.464 1.837 3.844 1.00 0.00 ATOM 541 CA MET 67 45.723 2.743 2.738 1.00 0.00 ATOM 542 CB MET 67 45.959 1.949 1.449 1.00 0.00 ATOM 543 CG MET 67 47.264 1.148 1.463 1.00 0.00 ATOM 544 SD MET 67 47.586 0.065 -0.122 1.00 0.00 ATOM 545 CE MET 67 48.176 1.454 -1.335 1.00 0.00 ATOM 546 O MET 67 43.981 3.869 1.501 1.00 0.00 ATOM 547 C MET 67 44.579 3.736 2.573 1.00 0.00 ATOM 548 N GLU 68 44.276 4.421 3.669 1.00 0.00 ATOM 549 CA GLU 68 43.234 5.433 3.702 1.00 0.00 ATOM 550 CB GLU 68 41.899 4.862 4.207 1.00 0.00 ATOM 551 CG GLU 68 40.868 5.957 4.539 1.00 0.00 ATOM 552 CD GLU 68 39.593 5.433 5.175 1.00 0.00 ATOM 553 OE1 GLU 68 39.688 4.612 6.114 1.00 0.00 ATOM 554 OE2 GLU 68 38.495 5.858 4.749 1.00 0.00 ATOM 555 O GLU 68 44.303 6.224 5.690 1.00 0.00 ATOM 556 C GLU 68 43.692 6.514 4.660 1.00 0.00 ATOM 557 N PRO 69 43.420 7.780 4.326 1.00 0.00 ATOM 558 CA PRO 69 43.814 8.893 5.191 1.00 0.00 ATOM 559 CB PRO 69 43.196 10.096 4.492 1.00 0.00 ATOM 560 CG PRO 69 43.301 9.715 3.048 1.00 0.00 ATOM 561 CD PRO 69 42.849 8.272 3.060 1.00 0.00 ATOM 562 O PRO 69 42.057 8.283 6.691 1.00 0.00 ATOM 563 C PRO 69 43.219 8.664 6.575 1.00 0.00 ATOM 564 N LEU 70 44.012 8.893 7.616 1.00 0.00 ATOM 565 CA LEU 70 43.543 8.700 8.986 1.00 0.00 ATOM 566 CB LEU 70 43.994 7.328 9.504 1.00 0.00 ATOM 567 CG LEU 70 43.028 6.135 9.571 1.00 0.00 ATOM 568 CD1 LEU 70 41.920 6.261 8.559 1.00 0.00 ATOM 569 CD2 LEU 70 43.821 4.850 9.351 1.00 0.00 ATOM 570 O LEU 70 45.167 10.326 9.654 1.00 0.00 ATOM 571 C LEU 70 44.093 9.783 9.899 1.00 0.00 ATOM 572 N GLU 71 43.344 10.104 10.949 1.00 0.00 ATOM 573 CA GLU 71 43.787 11.098 11.914 1.00 0.00 ATOM 574 CB GLU 71 42.601 11.671 12.692 1.00 0.00 ATOM 575 CG GLU 71 41.609 12.487 11.888 1.00 0.00 ATOM 576 CD GLU 71 42.055 13.914 11.730 1.00 0.00 ATOM 577 OE1 GLU 71 42.326 14.560 12.766 1.00 0.00 ATOM 578 OE2 GLU 71 42.135 14.394 10.581 1.00 0.00 ATOM 579 O GLU 71 44.456 9.218 13.232 1.00 0.00 ATOM 580 C GLU 71 44.685 10.385 12.914 1.00 0.00 ATOM 581 N ILE 72 45.711 11.072 13.398 1.00 0.00 ATOM 582 CA ILE 72 46.565 10.489 14.417 1.00 0.00 ATOM 583 CB ILE 72 47.951 11.139 14.470 1.00 0.00 ATOM 584 CG1 ILE 72 48.684 10.942 13.140 1.00 0.00 ATOM 585 CG2 ILE 72 48.763 10.516 15.600 1.00 0.00 ATOM 586 CD1 ILE 72 50.031 11.639 13.093 1.00 0.00 ATOM 587 O ILE 72 45.886 11.992 16.150 1.00 0.00 ATOM 588 C ILE 72 45.807 10.861 15.680 1.00 0.00 ATOM 589 N LEU 73 45.043 9.914 16.206 1.00 0.00 ATOM 590 CA LEU 73 44.248 10.165 17.400 1.00 0.00 ATOM 591 CB LEU 73 43.145 9.123 17.498 1.00 0.00 ATOM 592 CG LEU 73 42.288 9.046 16.235 1.00 0.00 ATOM 593 CD1 LEU 73 41.217 7.976 16.397 1.00 0.00 ATOM 594 CD2 LEU 73 41.647 10.409 15.965 1.00 0.00 ATOM 595 O LEU 73 44.791 10.800 19.654 1.00 0.00 ATOM 596 C LEU 73 45.108 10.150 18.649 1.00 0.00 ATOM 597 N SER 74 46.210 9.407 18.568 1.00 0.00 ATOM 598 CA SER 74 47.151 9.282 19.667 1.00 0.00 ATOM 599 CB SER 74 46.545 8.441 20.797 1.00 0.00 ATOM 600 OG SER 74 47.472 8.279 21.857 1.00 0.00 ATOM 601 O SER 74 48.378 7.591 18.486 1.00 0.00 ATOM 602 C SER 74 48.428 8.617 19.163 1.00 0.00 ATOM 603 N LEU 75 49.561 9.227 19.488 1.00 0.00 ATOM 604 CA LEU 75 50.872 8.718 19.106 1.00 0.00 ATOM 605 CB LEU 75 51.412 9.473 17.886 1.00 0.00 ATOM 606 CG LEU 75 52.643 8.844 17.215 1.00 0.00 ATOM 607 CD1 LEU 75 52.676 9.258 15.756 1.00 0.00 ATOM 608 CD2 LEU 75 53.925 9.249 17.940 1.00 0.00 ATOM 609 O LEU 75 51.974 10.062 20.767 1.00 0.00 ATOM 610 C LEU 75 51.776 8.935 20.312 1.00 0.00 ATOM 611 N SER 76 52.313 7.848 20.841 1.00 0.00 ATOM 612 CA SER 76 53.166 7.938 22.012 1.00 0.00 ATOM 613 CB SER 76 52.326 7.724 23.273 1.00 0.00 ATOM 614 OG SER 76 53.163 7.639 24.409 1.00 0.00 ATOM 615 O SER 76 54.115 5.836 21.386 1.00 0.00 ATOM 616 C SER 76 54.279 6.904 21.957 1.00 0.00 ATOM 617 N GLY 77 55.418 7.217 22.553 1.00 0.00 ATOM 618 CA GLY 77 56.496 6.253 22.524 1.00 0.00 ATOM 619 O GLY 77 57.810 7.770 23.818 1.00 0.00 ATOM 620 C GLY 77 57.780 6.750 23.133 1.00 0.00 ATOM 621 N ASN 78 58.857 6.024 22.868 1.00 0.00 ATOM 622 CA ASN 78 60.143 6.387 23.414 1.00 0.00 ATOM 623 CB ASN 78 60.370 5.616 24.713 1.00 0.00 ATOM 624 CG ASN 78 60.309 4.122 24.509 1.00 0.00 ATOM 625 ND2 ASN 78 59.339 3.474 25.147 1.00 0.00 ATOM 626 OD1 ASN 78 61.122 3.552 23.775 1.00 0.00 ATOM 627 O ASN 78 61.123 5.399 21.445 1.00 0.00 ATOM 628 C ASN 78 61.284 6.101 22.448 1.00 0.00 ATOM 629 N VAL 79 62.438 6.665 22.775 1.00 0.00 ATOM 630 CA VAL 79 63.655 6.490 21.996 1.00 0.00 ATOM 631 CB VAL 79 64.266 7.840 21.581 1.00 0.00 ATOM 632 CG1 VAL 79 65.620 7.611 20.927 1.00 0.00 ATOM 633 CG2 VAL 79 63.325 8.575 20.644 1.00 0.00 ATOM 634 O VAL 79 64.763 6.100 24.082 1.00 0.00 ATOM 635 C VAL 79 64.658 5.789 22.893 1.00 0.00 ATOM 636 N SER 80 65.385 4.836 22.324 1.00 0.00 ATOM 637 CA SER 80 66.400 4.099 23.063 1.00 0.00 ATOM 638 CB SER 80 65.768 2.949 23.856 1.00 0.00 ATOM 639 OG SER 80 64.874 2.201 23.059 1.00 0.00 ATOM 640 O SER 80 67.294 3.842 20.860 1.00 0.00 ATOM 641 C SER 80 67.418 3.577 22.058 1.00 0.00 ATOM 642 N MET 81 68.421 2.848 22.536 1.00 0.00 ATOM 643 CA MET 81 69.453 2.328 21.648 1.00 0.00 ATOM 644 CB MET 81 70.835 2.498 22.289 1.00 0.00 ATOM 645 CG MET 81 71.308 3.947 22.392 1.00 0.00 ATOM 646 SD MET 81 71.696 4.784 20.668 1.00 0.00 ATOM 647 CE MET 81 73.530 4.190 20.479 1.00 0.00 ATOM 648 O MET 81 69.100 -0.013 22.052 1.00 0.00 ATOM 649 C MET 81 69.266 0.879 21.223 1.00 0.00 ATOM 650 N LYS 82 69.290 0.669 19.912 1.00 0.00 ATOM 651 CA LYS 82 69.169 -0.657 19.316 1.00 0.00 ATOM 652 CB LYS 82 67.742 -0.911 18.820 1.00 0.00 ATOM 653 CG LYS 82 67.539 -2.310 18.245 1.00 0.00 ATOM 654 CD LYS 82 66.084 -2.575 17.863 1.00 0.00 ATOM 655 CE LYS 82 65.893 -3.990 17.321 1.00 0.00 ATOM 656 NZ LYS 82 64.480 -4.267 16.932 1.00 0.00 ATOM 657 O LYS 82 70.102 0.191 17.269 1.00 0.00 ATOM 658 C LYS 82 70.142 -0.683 18.139 1.00 0.00 ATOM 659 N ASP 83 71.023 -1.675 18.115 1.00 0.00 ATOM 660 CA ASP 83 72.004 -1.772 17.040 1.00 0.00 ATOM 661 CB ASP 83 71.308 -2.014 15.694 1.00 0.00 ATOM 662 CG ASP 83 70.478 -3.292 15.682 1.00 0.00 ATOM 663 OD1 ASP 83 70.996 -4.347 16.108 1.00 0.00 ATOM 664 OD2 ASP 83 69.309 -3.245 15.241 1.00 0.00 ATOM 665 O ASP 83 73.088 0.063 15.907 1.00 0.00 ATOM 666 C ASP 83 72.825 -0.479 16.983 1.00 0.00 ATOM 667 N SER 84 73.203 0.011 18.161 1.00 0.00 ATOM 668 CA SER 84 74.017 1.220 18.323 1.00 0.00 ATOM 669 CB SER 84 75.447 0.950 17.857 1.00 0.00 ATOM 670 OG SER 84 75.491 0.828 16.449 1.00 0.00 ATOM 671 O SER 84 74.323 3.314 17.195 1.00 0.00 ATOM 672 C SER 84 73.520 2.499 17.649 1.00 0.00 ATOM 673 N LYS 85 72.206 2.678 17.582 1.00 0.00 ATOM 674 CA LYS 85 71.643 3.882 16.987 1.00 0.00 ATOM 675 CB LYS 85 71.545 3.740 15.465 1.00 0.00 ATOM 676 CG LYS 85 70.569 2.679 14.996 1.00 0.00 ATOM 677 CD LYS 85 70.484 2.631 13.474 1.00 0.00 ATOM 678 CE LYS 85 69.926 3.924 12.898 1.00 0.00 ATOM 679 NZ LYS 85 69.795 3.865 11.414 1.00 0.00 ATOM 680 O LYS 85 69.549 3.229 17.960 1.00 0.00 ATOM 681 C LYS 85 70.265 4.154 17.571 1.00 0.00 ATOM 682 N PRO 86 69.871 5.432 17.642 1.00 0.00 ATOM 683 CA PRO 86 68.551 5.748 18.198 1.00 0.00 ATOM 684 CB PRO 86 68.447 7.263 18.006 1.00 0.00 ATOM 685 CG PRO 86 69.398 7.546 16.869 1.00 0.00 ATOM 686 CD PRO 86 70.554 6.643 17.165 1.00 0.00 ATOM 687 O PRO 86 67.260 5.005 16.299 1.00 0.00 ATOM 688 C PRO 86 67.421 4.969 17.521 1.00 0.00 ATOM 689 N PHE 87 66.647 4.258 18.333 1.00 0.00 ATOM 690 CA PHE 87 65.546 3.448 17.831 1.00 0.00 ATOM 691 CB PHE 87 65.819 1.981 18.142 1.00 0.00 ATOM 692 CG PHE 87 64.709 1.065 17.736 1.00 0.00 ATOM 693 CD1 PHE 87 64.506 0.748 16.399 1.00 0.00 ATOM 694 CD2 PHE 87 63.856 0.525 18.692 1.00 0.00 ATOM 695 CE1 PHE 87 63.471 -0.095 16.016 1.00 0.00 ATOM 696 CE2 PHE 87 62.816 -0.318 18.323 1.00 0.00 ATOM 697 CZ PHE 87 62.622 -0.631 16.980 1.00 0.00 ATOM 698 O PHE 87 64.085 3.974 19.666 1.00 0.00 ATOM 699 C PHE 87 64.207 3.865 18.447 1.00 0.00 ATOM 700 N CYS 88 63.207 4.094 17.598 1.00 0.00 ATOM 701 CA CYS 88 61.884 4.506 18.061 1.00 0.00 ATOM 702 CB CYS 88 61.238 5.486 17.068 1.00 0.00 ATOM 703 SG CYS 88 62.045 7.096 16.880 1.00 0.00 ATOM 704 O CYS 88 60.836 2.444 17.423 1.00 0.00 ATOM 705 C CYS 88 60.924 3.336 18.261 1.00 0.00 ATOM 706 N HIS 89 60.214 3.354 19.388 1.00 0.00 ATOM 707 CA HIS 89 59.204 2.355 19.703 1.00 0.00 ATOM 708 CB HIS 89 59.503 1.634 21.012 1.00 0.00 ATOM 709 CG HIS 89 58.500 0.574 21.345 1.00 0.00 ATOM 710 CD2 HIS 89 57.457 0.085 20.633 1.00 0.00 ATOM 711 ND1 HIS 89 58.511 -0.120 22.536 1.00 0.00 ATOM 712 CE1 HIS 89 57.518 -0.989 22.543 1.00 0.00 ATOM 713 NE2 HIS 89 56.862 -0.887 21.400 1.00 0.00 ATOM 714 O HIS 89 57.801 3.892 20.878 1.00 0.00 ATOM 715 C HIS 89 57.947 3.191 19.881 1.00 0.00 ATOM 716 N ILE 90 57.036 3.110 18.923 1.00 0.00 ATOM 717 CA ILE 90 55.829 3.922 18.978 1.00 0.00 ATOM 718 CB ILE 90 55.860 4.999 17.870 1.00 0.00 ATOM 719 CG1 ILE 90 57.145 5.814 17.977 1.00 0.00 ATOM 720 CG2 ILE 90 54.619 5.894 17.969 1.00 0.00 ATOM 721 CD1 ILE 90 57.445 6.638 16.741 1.00 0.00 ATOM 722 O ILE 90 54.414 2.263 17.992 1.00 0.00 ATOM 723 C ILE 90 54.528 3.161 18.822 1.00 0.00 ATOM 724 N HIS 91 53.538 3.540 19.622 1.00 0.00 ATOM 725 CA HIS 91 52.222 2.936 19.537 1.00 0.00 ATOM 726 CB HIS 91 51.809 2.323 20.879 1.00 0.00 ATOM 727 CG HIS 91 52.380 0.957 21.115 1.00 0.00 ATOM 728 CD2 HIS 91 53.457 0.337 20.577 1.00 0.00 ATOM 729 ND1 HIS 91 51.811 0.049 21.982 1.00 0.00 ATOM 730 CE1 HIS 91 52.510 -1.072 21.966 1.00 0.00 ATOM 731 NE2 HIS 91 53.514 -0.923 21.121 1.00 0.00 ATOM 732 O HIS 91 51.440 5.199 19.530 1.00 0.00 ATOM 733 C HIS 91 51.266 4.046 19.130 1.00 0.00 ATOM 734 N VAL 92 50.268 3.713 18.322 1.00 0.00 ATOM 735 CA VAL 92 49.326 4.726 17.874 1.00 0.00 ATOM 736 CB VAL 92 49.654 5.235 16.446 1.00 0.00 ATOM 737 CG1 VAL 92 50.999 5.929 16.424 1.00 0.00 ATOM 738 CG2 VAL 92 49.617 4.060 15.459 1.00 0.00 ATOM 739 O VAL 92 47.570 3.088 17.888 1.00 0.00 ATOM 740 C VAL 92 47.890 4.276 17.814 1.00 0.00 ATOM 741 N LEU 93 47.035 5.278 17.673 1.00 0.00 ATOM 742 CA LEU 93 45.604 5.112 17.508 1.00 0.00 ATOM 743 CB LEU 93 44.859 5.565 18.761 1.00 0.00 ATOM 744 CG LEU 93 44.726 4.449 19.796 1.00 0.00 ATOM 745 CD1 LEU 93 45.059 4.961 21.185 1.00 0.00 ATOM 746 CD2 LEU 93 43.314 3.896 19.730 1.00 0.00 ATOM 747 O LEU 93 45.578 7.238 16.375 1.00 0.00 ATOM 748 C LEU 93 45.316 6.032 16.326 1.00 0.00 ATOM 749 N LEU 94 44.832 5.435 15.247 1.00 0.00 ATOM 750 CA LEU 94 44.519 6.155 14.018 1.00 0.00 ATOM 751 CB LEU 94 45.383 5.637 12.862 1.00 0.00 ATOM 752 CG LEU 94 46.857 6.012 12.689 1.00 0.00 ATOM 753 CD1 LEU 94 47.491 6.385 14.003 1.00 0.00 ATOM 754 CD2 LEU 94 47.577 4.836 12.037 1.00 0.00 ATOM 755 O LEU 94 42.509 4.869 14.005 1.00 0.00 ATOM 756 C LEU 94 43.066 5.913 13.673 1.00 0.00 ATOM 757 N GLY 95 42.452 6.871 12.993 1.00 0.00 ATOM 758 CA GLY 95 41.069 6.689 12.613 1.00 0.00 ATOM 759 O GLY 95 40.870 9.066 12.484 1.00 0.00 ATOM 760 C GLY 95 40.297 7.979 12.494 1.00 0.00 ATOM 761 N LYS 96 38.982 7.842 12.405 1.00 0.00 ATOM 762 CA LYS 96 38.087 8.978 12.276 1.00 0.00 ATOM 763 CB LYS 96 37.907 9.321 10.795 1.00 0.00 ATOM 764 CG LYS 96 37.367 8.168 9.966 1.00 0.00 ATOM 765 CD LYS 96 37.554 8.398 8.474 1.00 0.00 ATOM 766 CE LYS 96 39.013 8.232 8.068 1.00 0.00 ATOM 767 NZ LYS 96 39.189 8.254 6.587 1.00 0.00 ATOM 768 O LYS 96 36.227 7.505 12.639 1.00 0.00 ATOM 769 C LYS 96 36.756 8.586 12.908 1.00 0.00 ATOM 770 N ASP 97 36.230 9.468 13.754 1.00 0.00 ATOM 771 CA ASP 97 34.974 9.230 14.458 1.00 0.00 ATOM 772 CB ASP 97 33.792 9.313 13.496 1.00 0.00 ATOM 773 CG ASP 97 33.600 10.704 12.939 1.00 0.00 ATOM 774 OD1 ASP 97 33.872 11.681 13.673 1.00 0.00 ATOM 775 OD2 ASP 97 33.169 10.819 11.773 1.00 0.00 ATOM 776 O ASP 97 35.768 7.652 16.066 1.00 0.00 ATOM 777 C ASP 97 34.970 7.879 15.164 1.00 0.00 ATOM 778 N GLY 98 34.076 6.987 14.748 1.00 0.00 ATOM 779 CA GLY 98 33.993 5.676 15.366 1.00 0.00 ATOM 780 O GLY 98 34.878 3.466 15.153 1.00 0.00 ATOM 781 C GLY 98 34.859 4.616 14.708 1.00 0.00 ATOM 782 N GLU 99 35.562 4.992 13.642 1.00 0.00 ATOM 783 CA GLU 99 36.445 4.066 12.936 1.00 0.00 ATOM 784 CB GLU 99 36.496 4.403 11.444 1.00 0.00 ATOM 785 CG GLU 99 37.184 3.346 10.578 1.00 0.00 ATOM 786 CD GLU 99 37.425 3.823 9.153 1.00 0.00 ATOM 787 OE1 GLU 99 36.632 4.649 8.659 1.00 0.00 ATOM 788 OE2 GLU 99 38.400 3.368 8.520 1.00 0.00 ATOM 789 O GLU 99 38.573 5.138 13.180 1.00 0.00 ATOM 790 C GLU 99 37.830 4.225 13.541 1.00 0.00 ATOM 791 N VAL 100 38.178 3.340 14.468 1.00 0.00 ATOM 792 CA VAL 100 39.473 3.432 15.125 1.00 0.00 ATOM 793 CB VAL 100 39.307 3.792 16.615 1.00 0.00 ATOM 794 CG1 VAL 100 40.669 3.947 17.266 1.00 0.00 ATOM 795 CG2 VAL 100 38.494 5.077 16.749 1.00 0.00 ATOM 796 O VAL 100 39.801 1.057 15.183 1.00 0.00 ATOM 797 C VAL 100 40.308 2.164 15.025 1.00 0.00 ATOM 798 N TYR 101 41.599 2.353 14.770 1.00 0.00 ATOM 799 CA TYR 101 42.556 1.256 14.651 1.00 0.00 ATOM 800 CB TYR 101 43.130 1.195 13.236 1.00 0.00 ATOM 801 CG TYR 101 42.098 1.092 12.142 1.00 0.00 ATOM 802 CD1 TYR 101 41.471 -0.119 11.854 1.00 0.00 ATOM 803 CD2 TYR 101 41.762 2.205 11.375 1.00 0.00 ATOM 804 CE1 TYR 101 40.535 -0.217 10.822 1.00 0.00 ATOM 805 CE2 TYR 101 40.833 2.117 10.345 1.00 0.00 ATOM 806 CZ TYR 101 40.227 0.908 10.070 1.00 0.00 ATOM 807 OH TYR 101 39.340 0.821 9.033 1.00 0.00 ATOM 808 O TYR 101 43.898 2.775 15.908 1.00 0.00 ATOM 809 C TYR 101 43.680 1.602 15.612 1.00 0.00 ATOM 810 N GLY 102 44.393 0.597 16.107 1.00 0.00 ATOM 811 CA GLY 102 45.481 0.879 17.024 1.00 0.00 ATOM 812 O GLY 102 46.216 -1.376 16.764 1.00 0.00 ATOM 813 C GLY 102 46.515 -0.224 17.080 1.00 0.00 ATOM 814 N GLY 103 47.734 0.125 17.477 1.00 0.00 ATOM 815 CA GLY 103 48.776 -0.877 17.582 1.00 0.00 ATOM 816 O GLY 103 50.443 0.844 17.711 1.00 0.00 ATOM 817 C GLY 103 50.191 -0.353 17.548 1.00 0.00 ATOM 818 N HIS 104 51.119 -1.283 17.350 1.00 0.00 ATOM 819 CA HIS 104 52.534 -0.981 17.246 1.00 0.00 ATOM 820 CB HIS 104 53.332 -2.292 17.284 1.00 0.00 ATOM 821 CG HIS 104 54.815 -2.108 17.239 1.00 0.00 ATOM 822 CD2 HIS 104 55.656 -1.908 16.194 1.00 0.00 ATOM 823 ND1 HIS 104 55.601 -2.099 18.370 1.00 0.00 ATOM 824 CE1 HIS 104 56.862 -1.898 18.027 1.00 0.00 ATOM 825 NE2 HIS 104 56.920 -1.778 16.712 1.00 0.00 ATOM 826 O HIS 104 52.130 -0.800 14.883 1.00 0.00 ATOM 827 C HIS 104 52.670 -0.309 15.874 1.00 0.00 ATOM 828 N LEU 105 53.376 0.814 15.817 1.00 0.00 ATOM 829 CA LEU 105 53.544 1.533 14.560 1.00 0.00 ATOM 830 CB LEU 105 53.614 3.038 14.827 1.00 0.00 ATOM 831 CG LEU 105 53.860 3.934 13.616 1.00 0.00 ATOM 832 CD1 LEU 105 52.662 3.854 12.676 1.00 0.00 ATOM 833 CD2 LEU 105 54.083 5.369 14.086 1.00 0.00 ATOM 834 O LEU 105 55.887 1.077 14.370 1.00 0.00 ATOM 835 C LEU 105 54.795 1.095 13.808 1.00 0.00 ATOM 836 N PHE 106 54.631 0.752 12.534 1.00 0.00 ATOM 837 CA PHE 106 55.760 0.333 11.707 1.00 0.00 ATOM 838 CB PHE 106 55.419 -0.945 10.939 1.00 0.00 ATOM 839 CG PHE 106 55.365 -2.171 11.806 1.00 0.00 ATOM 840 CD1 PHE 106 56.533 -2.737 12.303 1.00 0.00 ATOM 841 CD2 PHE 106 54.149 -2.750 12.139 1.00 0.00 ATOM 842 CE1 PHE 106 56.491 -3.863 13.118 1.00 0.00 ATOM 843 CE2 PHE 106 54.097 -3.877 12.957 1.00 0.00 ATOM 844 CZ PHE 106 55.267 -4.433 13.446 1.00 0.00 ATOM 845 O PHE 106 57.297 1.777 10.575 1.00 0.00 ATOM 846 C PHE 106 56.122 1.440 10.736 1.00 0.00 ATOM 847 N SER 107 55.107 2.002 10.086 1.00 0.00 ATOM 848 CA SER 107 55.317 3.102 9.146 1.00 0.00 ATOM 849 CB SER 107 55.764 2.579 7.781 1.00 0.00 ATOM 850 OG SER 107 54.695 1.914 7.122 1.00 0.00 ATOM 851 O SER 107 52.931 3.407 9.176 1.00 0.00 ATOM 852 C SER 107 54.038 3.906 8.959 1.00 0.00 ATOM 853 N ALA 108 54.209 5.156 8.546 1.00 0.00 ATOM 854 CA ALA 108 53.092 6.045 8.294 1.00 0.00 ATOM 855 CB ALA 108 52.553 6.613 9.599 1.00 0.00 ATOM 856 O ALA 108 54.582 7.795 7.613 1.00 0.00 ATOM 857 C ALA 108 53.545 7.174 7.387 1.00 0.00 ATOM 858 N GLU 109 52.770 7.416 6.340 1.00 0.00 ATOM 859 CA GLU 109 53.072 8.497 5.421 1.00 0.00 ATOM 860 CB GLU 109 52.441 8.235 4.063 1.00 0.00 ATOM 861 CG GLU 109 52.898 9.191 2.985 1.00 0.00 ATOM 862 CD GLU 109 52.286 8.864 1.640 1.00 0.00 ATOM 863 OE1 GLU 109 52.279 7.668 1.272 1.00 0.00 ATOM 864 OE2 GLU 109 51.819 9.798 0.951 1.00 0.00 ATOM 865 O GLU 109 51.251 9.703 6.378 1.00 0.00 ATOM 866 C GLU 109 52.435 9.715 6.061 1.00 0.00 ATOM 867 N VAL 110 53.225 10.760 6.258 1.00 0.00 ATOM 868 CA VAL 110 52.723 11.975 6.881 1.00 0.00 ATOM 869 CB VAL 110 53.884 12.813 7.433 1.00 0.00 ATOM 870 CG1 VAL 110 53.365 14.161 7.917 1.00 0.00 ATOM 871 CG2 VAL 110 54.573 12.070 8.554 1.00 0.00 ATOM 872 O VAL 110 52.210 13.123 4.817 1.00 0.00 ATOM 873 C VAL 110 51.886 12.902 5.992 1.00 0.00 ATOM 874 N PHE 111 50.809 13.438 6.569 1.00 0.00 ATOM 875 CA PHE 111 49.972 14.411 5.883 1.00 0.00 ATOM 876 CB PHE 111 48.482 14.155 6.104 1.00 0.00 ATOM 877 CG PHE 111 47.598 15.184 5.443 1.00 0.00 ATOM 878 CD1 PHE 111 47.460 15.215 4.056 1.00 0.00 ATOM 879 CD2 PHE 111 46.967 16.163 6.195 1.00 0.00 ATOM 880 CE1 PHE 111 46.712 16.205 3.430 1.00 0.00 ATOM 881 CE2 PHE 111 46.212 17.167 5.581 1.00 0.00 ATOM 882 CZ PHE 111 46.086 17.189 4.193 1.00 0.00 ATOM 883 O PHE 111 50.829 16.666 5.924 1.00 0.00 ATOM 884 C PHE 111 50.368 15.716 6.567 1.00 0.00 ATOM 885 N ALA 112 50.187 15.739 7.886 1.00 0.00 ATOM 886 CA ALA 112 50.556 16.870 8.734 1.00 0.00 ATOM 887 CB ALA 112 49.428 17.900 8.804 1.00 0.00 ATOM 888 O ALA 112 49.927 15.635 10.693 1.00 0.00 ATOM 889 C ALA 112 50.812 16.269 10.110 1.00 0.00 ATOM 890 N CYS 113 52.024 16.455 10.624 1.00 0.00 ATOM 891 CA CYS 113 52.374 15.892 11.920 1.00 0.00 ATOM 892 CB CYS 113 53.123 14.572 11.719 1.00 0.00 ATOM 893 SG CYS 113 53.435 13.646 13.239 1.00 0.00 ATOM 894 O CYS 113 54.214 17.364 12.338 1.00 0.00 ATOM 895 C CYS 113 53.209 16.827 12.781 1.00 0.00 ATOM 896 N GLU 114 52.768 17.017 14.019 1.00 0.00 ATOM 897 CA GLU 114 53.454 17.869 14.973 1.00 0.00 ATOM 898 CB GLU 114 52.489 18.947 15.490 1.00 0.00 ATOM 899 CG GLU 114 51.831 19.722 14.336 1.00 0.00 ATOM 900 CD GLU 114 50.830 20.802 14.766 1.00 0.00 ATOM 901 OE1 GLU 114 50.230 20.697 15.855 1.00 0.00 ATOM 902 OE2 GLU 114 50.627 21.755 13.984 1.00 0.00 ATOM 903 O GLU 114 53.101 16.299 16.758 1.00 0.00 ATOM 904 C GLU 114 53.911 16.926 16.078 1.00 0.00 ATOM 905 N VAL 115 55.224 16.828 16.238 1.00 0.00 ATOM 906 CA VAL 115 55.813 15.923 17.207 1.00 0.00 ATOM 907 CB VAL 115 56.898 15.036 16.529 1.00 0.00 ATOM 908 CG1 VAL 115 57.360 13.943 17.481 1.00 0.00 ATOM 909 CG2 VAL 115 56.356 14.443 15.239 1.00 0.00 ATOM 910 O VAL 115 57.109 17.675 18.197 1.00 0.00 ATOM 911 C VAL 115 56.466 16.641 18.374 1.00 0.00 ATOM 912 N PHE 116 56.289 16.095 19.570 1.00 0.00 ATOM 913 CA PHE 116 56.923 16.670 20.743 1.00 0.00 ATOM 914 CB PHE 116 55.945 16.824 21.910 1.00 0.00 ATOM 915 CG PHE 116 56.606 17.263 23.193 1.00 0.00 ATOM 916 CD1 PHE 116 57.417 18.396 23.221 1.00 0.00 ATOM 917 CD2 PHE 116 56.429 16.541 24.370 1.00 0.00 ATOM 918 CE1 PHE 116 58.049 18.801 24.394 1.00 0.00 ATOM 919 CE2 PHE 116 57.053 16.936 25.547 1.00 0.00 ATOM 920 CZ PHE 116 57.865 18.070 25.562 1.00 0.00 ATOM 921 O PHE 116 57.715 14.504 21.351 1.00 0.00 ATOM 922 C PHE 116 57.999 15.679 21.132 1.00 0.00 ATOM 923 N VAL 117 59.236 16.143 21.189 1.00 0.00 ATOM 924 CA VAL 117 60.336 15.269 21.566 1.00 0.00 ATOM 925 CB VAL 117 61.412 15.223 20.474 1.00 0.00 ATOM 926 CG1 VAL 117 62.569 14.344 20.922 1.00 0.00 ATOM 927 CG2 VAL 117 60.808 14.702 19.181 1.00 0.00 ATOM 928 O VAL 117 61.372 16.927 22.943 1.00 0.00 ATOM 929 C VAL 117 60.956 15.774 22.857 1.00 0.00 ATOM 930 N LEU 118 61.001 14.908 23.863 1.00 0.00 ATOM 931 CA LEU 118 61.578 15.267 25.153 1.00 0.00 ATOM 932 CB LEU 118 60.572 15.001 26.280 1.00 0.00 ATOM 933 CG LEU 118 60.961 15.438 27.695 1.00 0.00 ATOM 934 CD1 LEU 118 61.006 16.957 27.780 1.00 0.00 ATOM 935 CD2 LEU 118 59.947 14.904 28.682 1.00 0.00 ATOM 936 O LEU 118 62.731 13.273 25.822 1.00 0.00 ATOM 937 C LEU 118 62.820 14.417 25.361 1.00 0.00 ATOM 938 N PRO 119 63.998 14.952 24.995 1.00 0.00 ATOM 939 CA PRO 119 65.238 14.190 25.167 1.00 0.00 ATOM 940 CB PRO 119 66.295 15.097 24.533 1.00 0.00 ATOM 941 CG PRO 119 65.728 16.475 24.737 1.00 0.00 ATOM 942 CD PRO 119 64.271 16.277 24.408 1.00 0.00 ATOM 943 O PRO 119 65.185 14.717 27.515 1.00 0.00 ATOM 944 C PRO 119 65.508 13.906 26.643 1.00 0.00 ATOM 945 N LEU 120 66.084 12.740 26.913 1.00 0.00 ATOM 946 CA LEU 120 66.397 12.343 28.275 1.00 0.00 ATOM 947 CB LEU 120 65.658 11.045 28.618 1.00 0.00 ATOM 948 CG LEU 120 64.132 11.184 28.579 1.00 0.00 ATOM 949 CD1 LEU 120 63.467 9.814 28.593 1.00 0.00 ATOM 950 CD2 LEU 120 63.679 12.018 29.759 1.00 0.00 ATOM 951 O LEU 120 68.487 11.306 27.691 1.00 0.00 ATOM 952 C LEU 120 67.903 12.156 28.377 1.00 0.00 ATOM 953 N SER 121 68.525 12.975 29.220 1.00 0.00 ATOM 954 CA SER 121 69.969 12.940 29.434 1.00 0.00 ATOM 955 CB SER 121 70.461 14.349 29.790 1.00 0.00 ATOM 956 OG SER 121 71.808 14.348 30.227 1.00 0.00 ATOM 957 O SER 121 70.025 12.128 31.706 1.00 0.00 ATOM 958 C SER 121 70.355 11.944 30.536 1.00 0.00 ATOM 959 N GLY 122 71.059 10.887 30.147 1.00 0.00 ATOM 960 CA GLY 122 71.483 9.870 31.096 1.00 0.00 ATOM 961 O GLY 122 71.965 8.712 29.075 1.00 0.00 ATOM 962 C GLY 122 71.863 8.641 30.298 1.00 0.00 ATOM 963 N GLU 123 72.079 7.515 30.964 1.00 0.00 ATOM 964 CA GLU 123 72.439 6.298 30.241 1.00 0.00 ATOM 965 CB GLU 123 72.917 5.222 31.214 1.00 0.00 ATOM 966 CG GLU 123 74.159 5.614 31.986 1.00 0.00 ATOM 967 CD GLU 123 75.296 6.029 31.070 1.00 0.00 ATOM 968 OE1 GLU 123 75.475 5.375 30.022 1.00 0.00 ATOM 969 OE2 GLU 123 76.017 6.996 31.399 1.00 0.00 ATOM 970 O GLU 123 70.216 5.442 30.023 1.00 0.00 ATOM 971 C GLU 123 71.240 5.787 29.452 1.00 0.00 ATOM 972 N ALA 124 71.374 5.743 28.132 1.00 0.00 ATOM 973 CA ALA 124 70.295 5.278 27.273 1.00 0.00 ATOM 974 CB ALA 124 70.579 5.666 25.819 1.00 0.00 ATOM 975 O ALA 124 71.038 2.995 27.345 1.00 0.00 ATOM 976 C ALA 124 70.084 3.772 27.366 1.00 0.00 ATOM 977 N PRO 125 68.822 3.340 27.490 1.00 0.00 ATOM 978 CA PRO 125 68.579 1.899 27.571 1.00 0.00 ATOM 979 CB PRO 125 67.121 1.813 28.010 1.00 0.00 ATOM 980 CG PRO 125 66.519 3.064 27.465 1.00 0.00 ATOM 981 CD PRO 125 67.583 4.103 27.718 1.00 0.00 ATOM 982 O PRO 125 68.547 1.848 25.163 1.00 0.00 ATOM 983 C PRO 125 68.834 1.254 26.210 1.00 0.00 ATOM 984 N GLU 126 69.402 0.052 26.238 1.00 0.00 ATOM 985 CA GLU 126 69.707 -0.681 25.023 1.00 0.00 ATOM 986 CB GLU 126 71.143 -1.201 25.064 1.00 0.00 ATOM 987 CG GLU 126 72.201 -0.135 25.278 1.00 0.00 ATOM 988 CD GLU 126 73.605 -0.695 25.170 1.00 0.00 ATOM 989 OE1 GLU 126 73.945 -1.206 24.081 1.00 0.00 ATOM 990 OE2 GLU 126 74.361 -0.632 26.164 1.00 0.00 ATOM 991 O GLU 126 68.425 -2.513 25.888 1.00 0.00 ATOM 992 C GLU 126 68.748 -1.854 24.897 1.00 0.00 ATOM 993 N ARG 127 68.296 -2.114 23.679 1.00 0.00 ATOM 994 CA ARG 127 67.374 -3.210 23.436 1.00 0.00 ATOM 995 CB ARG 127 66.381 -2.828 22.332 1.00 0.00 ATOM 996 CG ARG 127 65.352 -1.787 22.769 1.00 0.00 ATOM 997 CD ARG 127 64.368 -1.430 21.662 1.00 0.00 ATOM 998 NE ARG 127 63.450 -0.376 22.091 1.00 0.00 ATOM 999 CZ ARG 127 62.463 -0.553 22.963 1.00 0.00 ATOM 1000 NH1 ARG 127 62.253 -1.749 23.498 1.00 0.00 ATOM 1001 NH2 ARG 127 61.692 0.470 23.312 1.00 0.00 ATOM 1002 O ARG 127 68.901 -4.528 22.125 1.00 0.00 ATOM 1003 C ARG 127 68.107 -4.496 23.066 1.00 0.00 ATOM 1004 N ALA 128 67.847 -5.551 23.830 1.00 0.00 ATOM 1005 CA ALA 128 68.459 -6.855 23.585 1.00 0.00 ATOM 1006 CB ALA 128 69.489 -7.175 24.671 1.00 0.00 ATOM 1007 O ALA 128 66.325 -7.728 24.257 1.00 0.00 ATOM 1008 C ALA 128 67.347 -7.898 23.585 1.00 0.00 ATOM 1009 N PHE 129 67.539 -8.971 22.826 1.00 0.00 ATOM 1010 CA PHE 129 66.531 -10.015 22.756 1.00 0.00 ATOM 1011 CB PHE 129 67.013 -11.177 21.892 1.00 0.00 ATOM 1012 CG PHE 129 65.966 -12.237 21.672 1.00 0.00 ATOM 1013 CD1 PHE 129 64.931 -12.034 20.768 1.00 0.00 ATOM 1014 CD2 PHE 129 66.007 -13.431 22.379 1.00 0.00 ATOM 1015 CE1 PHE 129 63.954 -13.009 20.567 1.00 0.00 ATOM 1016 CE2 PHE 129 65.034 -14.411 22.184 1.00 0.00 ATOM 1017 CZ PHE 129 64.008 -14.198 21.278 1.00 0.00 ATOM 1018 O PHE 129 67.062 -10.833 24.961 1.00 0.00 ATOM 1019 C PHE 129 66.182 -10.550 24.144 1.00 0.00 ATOM 1020 N ASP 130 64.888 -10.681 24.401 1.00 0.00 ATOM 1021 CA ASP 130 64.410 -11.206 25.666 1.00 0.00 ATOM 1022 CB ASP 130 63.456 -10.218 26.324 1.00 0.00 ATOM 1023 CG ASP 130 62.833 -10.775 27.576 1.00 0.00 ATOM 1024 OD1 ASP 130 63.555 -10.933 28.584 1.00 0.00 ATOM 1025 OD2 ASP 130 61.621 -11.069 27.544 1.00 0.00 ATOM 1026 O ASP 130 62.722 -12.535 24.598 1.00 0.00 ATOM 1027 C ASP 130 63.681 -12.513 25.364 1.00 0.00 ATOM 1028 N GLU 131 64.151 -13.599 25.967 1.00 0.00 ATOM 1029 CA GLU 131 63.573 -14.927 25.758 1.00 0.00 ATOM 1030 CB GLU 131 64.407 -15.964 26.522 1.00 0.00 ATOM 1031 CG GLU 131 63.958 -17.416 26.373 1.00 0.00 ATOM 1032 CD GLU 131 64.307 -18.017 25.020 1.00 0.00 ATOM 1033 OE1 GLU 131 65.481 -17.906 24.600 1.00 0.00 ATOM 1034 OE2 GLU 131 63.412 -18.613 24.382 1.00 0.00 ATOM 1035 O GLU 131 61.277 -15.614 25.468 1.00 0.00 ATOM 1036 C GLU 131 62.104 -15.031 26.178 1.00 0.00 ATOM 1037 N GLN 132 61.785 -14.458 27.331 1.00 0.00 ATOM 1038 CA GLN 132 60.429 -14.503 27.872 1.00 0.00 ATOM 1039 CB GLN 132 60.370 -13.700 29.173 1.00 0.00 ATOM 1040 CG GLN 132 59.204 -14.058 30.080 1.00 0.00 ATOM 1041 CD GLN 132 59.339 -13.446 31.461 1.00 0.00 ATOM 1042 OE1 GLN 132 58.868 -14.014 32.447 1.00 0.00 ATOM 1043 NE2 GLN 132 59.979 -12.277 31.541 1.00 0.00 ATOM 1044 O GLN 132 58.331 -14.650 26.728 1.00 0.00 ATOM 1045 C GLN 132 59.356 -13.995 26.918 1.00 0.00 ATOM 1046 N THR 133 59.587 -12.835 26.314 1.00 0.00 ATOM 1047 CA THR 133 58.601 -12.249 25.408 1.00 0.00 ATOM 1048 CB THR 133 58.439 -10.741 25.680 1.00 0.00 ATOM 1049 CG2 THR 133 57.979 -10.499 27.129 1.00 0.00 ATOM 1050 OG1 THR 133 59.692 -10.082 25.459 1.00 0.00 ATOM 1051 O THR 133 57.966 -12.351 23.098 1.00 0.00 ATOM 1052 C THR 133 58.886 -12.425 23.916 1.00 0.00 ATOM 1053 N GLY 134 60.152 -12.657 23.569 1.00 0.00 ATOM 1054 CA GLY 134 60.535 -12.818 22.172 1.00 0.00 ATOM 1055 O GLY 134 60.813 -11.273 20.348 1.00 0.00 ATOM 1056 C GLY 134 60.686 -11.440 21.559 1.00 0.00 ATOM 1057 N LEU 135 60.674 -10.446 22.437 1.00 0.00 ATOM 1058 CA LEU 135 60.778 -9.042 22.073 1.00 0.00 ATOM 1059 CB LEU 135 59.783 -8.258 22.930 1.00 0.00 ATOM 1060 CG LEU 135 58.794 -7.251 22.351 1.00 0.00 ATOM 1061 CD1 LEU 135 58.169 -7.766 21.063 1.00 0.00 ATOM 1062 CD2 LEU 135 57.719 -7.000 23.407 1.00 0.00 ATOM 1063 O LEU 135 62.988 -9.263 22.984 1.00 0.00 ATOM 1064 C LEU 135 62.196 -8.555 22.363 1.00 0.00 ATOM 1065 N PHE 136 62.518 -7.352 21.904 1.00 0.00 ATOM 1066 CA PHE 136 63.826 -6.773 22.177 1.00 0.00 ATOM 1067 CB PHE 136 64.413 -6.123 20.924 1.00 0.00 ATOM 1068 CG PHE 136 65.003 -7.105 19.955 1.00 0.00 ATOM 1069 CD1 PHE 136 64.207 -7.744 19.015 1.00 0.00 ATOM 1070 CD2 PHE 136 66.359 -7.407 19.999 1.00 0.00 ATOM 1071 CE1 PHE 136 64.751 -8.673 18.128 1.00 0.00 ATOM 1072 CE2 PHE 136 66.916 -8.333 19.121 1.00 0.00 ATOM 1073 CZ PHE 136 66.109 -8.968 18.182 1.00 0.00 ATOM 1074 O PHE 136 63.269 -4.578 22.966 1.00 0.00 ATOM 1075 C PHE 136 63.611 -5.725 23.261 1.00 0.00 ATOM 1076 N LEU 137 63.810 -6.129 24.514 1.00 0.00 ATOM 1077 CA LEU 137 63.604 -5.247 25.661 1.00 0.00 ATOM 1078 CB LEU 137 62.847 -6.007 26.754 1.00 0.00 ATOM 1079 CG LEU 137 61.580 -6.696 26.228 1.00 0.00 ATOM 1080 CD1 LEU 137 60.793 -7.325 27.381 1.00 0.00 ATOM 1081 CD2 LEU 137 60.726 -5.683 25.493 1.00 0.00 ATOM 1082 O LEU 137 65.983 -5.112 25.947 1.00 0.00 ATOM 1083 C LEU 137 64.882 -4.645 26.231 1.00 0.00 ATOM 1084 N TRP 138 64.724 -3.604 27.044 1.00 0.00 ATOM 1085 CA TRP 138 65.860 -2.911 27.644 1.00 0.00 ATOM 1086 CB TRP 138 65.388 -1.634 28.344 1.00 0.00 ATOM 1087 CG TRP 138 64.768 -0.642 27.411 1.00 0.00 ATOM 1088 CD1 TRP 138 65.132 -0.396 26.120 1.00 0.00 ATOM 1089 CD2 TRP 138 63.714 0.286 27.713 1.00 0.00 ATOM 1090 CE2 TRP 138 63.494 1.063 26.553 1.00 0.00 ATOM 1091 CE3 TRP 138 62.932 0.534 28.852 1.00 0.00 ATOM 1092 NE1 TRP 138 64.375 0.624 25.598 1.00 0.00 ATOM 1093 CZ2 TRP 138 62.532 2.079 26.492 1.00 0.00 ATOM 1094 CZ3 TRP 138 61.969 1.547 28.795 1.00 0.00 ATOM 1095 CH2 TRP 138 61.780 2.305 27.618 1.00 0.00 ATOM 1096 O TRP 138 66.110 -4.440 29.484 1.00 0.00 ATOM 1097 C TRP 138 66.665 -3.763 28.619 1.00 0.00 ATOM 1098 N LEU 139 67.984 -3.709 28.480 1.00 0.00 ATOM 1099 CA LEU 139 68.879 -4.469 29.341 1.00 0.00 ATOM 1100 CB LEU 139 69.957 -5.144 28.494 1.00 0.00 ATOM 1101 CG LEU 139 70.764 -6.264 29.151 1.00 0.00 ATOM 1102 CD1 LEU 139 69.817 -7.346 29.658 1.00 0.00 ATOM 1103 CD2 LEU 139 71.750 -6.840 28.140 1.00 0.00 ATOM 1104 O LEU 139 69.418 -3.741 31.563 1.00 0.00 ATOM 1105 C LEU 139 69.518 -3.530 30.354 1.00 0.00 ATOM 1106 N GLU 140 70.176 -2.493 29.845 1.00 0.00 ATOM 1107 CA GLU 140 70.831 -1.490 30.679 1.00 0.00 ATOM 1108 CB GLU 140 71.914 -2.128 31.563 1.00 0.00 ATOM 1109 CG GLU 140 73.076 -2.769 30.817 1.00 0.00 ATOM 1110 CD GLU 140 74.136 -3.316 31.762 1.00 0.00 ATOM 1111 OE1 GLU 140 73.802 -4.190 32.590 1.00 0.00 ATOM 1112 OE2 GLU 140 75.302 -2.873 31.677 1.00 0.00 ATOM 1113 O GLU 140 71.195 -0.430 28.581 1.00 0.00 ATOM 1114 C GLU 140 71.442 -0.396 29.805 1.00 0.00 ENDMDL # command:# Prefix for output files set to decoys/ # command:# request to SCWRL produces command: ulimit -t 132 ; scwrl3 -i /var/tmp/to_scwrl_1361632768.pdb -s /var/tmp/to_scwrl_1361632768.seq -o /var/tmp/from_scwrl_1361632768.pdb > /var/tmp/scwrl_1361632768.log sh: /var/tmp/scwrl_1361632768.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1361632768.pdb or /var/tmp/from_scwrl_1361632768.pdb.gz for input Warning: Couldn't open file /var/tmp/from_scwrl_1361632768_b.pdb or /var/tmp/from_scwrl_1361632768_b.pdb.gz for input Trying /var/tmp/from_scwrl_1361632768_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1361632768_b.pdb or /var/tmp/from_scwrl_1361632768_b.pdb.gz for input Warning: Couldn't open file /var/tmp/from_scwrl_1361632768_a.pdb or /var/tmp/from_scwrl_1361632768_a.pdb.gz for input Trying /var/tmp/from_scwrl_1361632768_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1361632768_a.pdb or /var/tmp/from_scwrl_1361632768_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1361632768.pdb or /var/tmp/from_scwrl_1361632768_b.pdb or /var/tmp/from_scwrl_1361632768_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 142 # 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 = -43.036 # GDT_score(maxd=8.000,maxw=2.900)= -42.933 # GDT_score(maxd=8.000,maxw=3.200)= -41.127 # GDT_score(maxd=8.000,maxw=3.500)= -39.312 # GDT_score(maxd=10.000,maxw=3.800)= -42.421 # GDT_score(maxd=10.000,maxw=4.000)= -41.123 # GDT_score(maxd=10.000,maxw=4.200)= -39.848 # GDT_score(maxd=12.000,maxw=4.300)= -43.680 # GDT_score(maxd=12.000,maxw=4.500)= -42.353 # GDT_score(maxd=12.000,maxw=4.700)= -41.055 # GDT_score(maxd=14.000,maxw=5.200)= -41.553 # GDT_score(maxd=14.000,maxw=5.500)= -39.699 # command:# request to SCWRL produces command: ulimit -t 132 ; scwrl3 -i /var/tmp/to_scwrl_2137204201.pdb -s /var/tmp/to_scwrl_2137204201.seq -o /var/tmp/from_scwrl_2137204201.pdb > /var/tmp/scwrl_2137204201.log sh: /var/tmp/scwrl_2137204201.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_2137204201.pdb or /var/tmp/from_scwrl_2137204201.pdb.gz for input Warning: Couldn't open file /var/tmp/from_scwrl_2137204201_b.pdb or /var/tmp/from_scwrl_2137204201_b.pdb.gz for input Trying /var/tmp/from_scwrl_2137204201_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_2137204201_b.pdb or /var/tmp/from_scwrl_2137204201_b.pdb.gz for input Warning: Couldn't open file /var/tmp/from_scwrl_2137204201_a.pdb or /var/tmp/from_scwrl_2137204201_a.pdb.gz for input Trying /var/tmp/from_scwrl_2137204201_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_2137204201_a.pdb or /var/tmp/from_scwrl_2137204201_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_2137204201.pdb or /var/tmp/from_scwrl_2137204201_b.pdb or /var/tmp/from_scwrl_2137204201_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 131 # 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 = -46.250 # GDT_score(maxd=8.000,maxw=2.900)= -45.021 # GDT_score(maxd=8.000,maxw=3.200)= -43.125 # GDT_score(maxd=8.000,maxw=3.500)= -41.173 # GDT_score(maxd=10.000,maxw=3.800)= -44.948 # GDT_score(maxd=10.000,maxw=4.000)= -43.538 # GDT_score(maxd=10.000,maxw=4.200)= -42.176 # GDT_score(maxd=12.000,maxw=4.300)= -46.240 # GDT_score(maxd=12.000,maxw=4.500)= -44.831 # GDT_score(maxd=12.000,maxw=4.700)= -43.471 # GDT_score(maxd=14.000,maxw=5.200)= -43.954 # GDT_score(maxd=14.000,maxw=5.500)= -41.957 # command:# request to SCWRL produces command: ulimit -t 132 ; scwrl3 -i /var/tmp/to_scwrl_1900510452.pdb -s /var/tmp/to_scwrl_1900510452.seq -o /var/tmp/from_scwrl_1900510452.pdb > /var/tmp/scwrl_1900510452.log sh: /var/tmp/scwrl_1900510452.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1900510452.pdb or /var/tmp/from_scwrl_1900510452.pdb.gz for input Warning: Couldn't open file /var/tmp/from_scwrl_1900510452_b.pdb or /var/tmp/from_scwrl_1900510452_b.pdb.gz for input Trying /var/tmp/from_scwrl_1900510452_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1900510452_b.pdb or /var/tmp/from_scwrl_1900510452_b.pdb.gz for input Warning: Couldn't open file /var/tmp/from_scwrl_1900510452_a.pdb or /var/tmp/from_scwrl_1900510452_a.pdb.gz for input Trying /var/tmp/from_scwrl_1900510452_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1900510452_a.pdb or /var/tmp/from_scwrl_1900510452_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1900510452.pdb or /var/tmp/from_scwrl_1900510452_b.pdb or /var/tmp/from_scwrl_1900510452_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 132 # 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 = -42.500 # GDT_score(maxd=8.000,maxw=2.900)= -41.936 # GDT_score(maxd=8.000,maxw=3.200)= -40.064 # GDT_score(maxd=8.000,maxw=3.500)= -38.252 # GDT_score(maxd=10.000,maxw=3.800)= -41.488 # GDT_score(maxd=10.000,maxw=4.000)= -40.164 # GDT_score(maxd=10.000,maxw=4.200)= -38.863 # GDT_score(maxd=12.000,maxw=4.300)= -42.716 # GDT_score(maxd=12.000,maxw=4.500)= -41.371 # GDT_score(maxd=12.000,maxw=4.700)= -40.073 # GDT_score(maxd=14.000,maxw=5.200)= -40.655 # GDT_score(maxd=14.000,maxw=5.500)= -38.930 # command:# request to SCWRL produces command: ulimit -t 132 ; scwrl3 -i /var/tmp/to_scwrl_1795610859.pdb -s /var/tmp/to_scwrl_1795610859.seq -o /var/tmp/from_scwrl_1795610859.pdb > /var/tmp/scwrl_1795610859.log sh: /var/tmp/scwrl_1795610859.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1795610859.pdb or /var/tmp/from_scwrl_1795610859.pdb.gz for input Warning: Couldn't open file /var/tmp/from_scwrl_1795610859_b.pdb or /var/tmp/from_scwrl_1795610859_b.pdb.gz for input Trying /var/tmp/from_scwrl_1795610859_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1795610859_b.pdb or /var/tmp/from_scwrl_1795610859_b.pdb.gz for input Warning: Couldn't open file /var/tmp/from_scwrl_1795610859_a.pdb or /var/tmp/from_scwrl_1795610859_a.pdb.gz for input Trying /var/tmp/from_scwrl_1795610859_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1795610859_a.pdb or /var/tmp/from_scwrl_1795610859_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1795610859.pdb or /var/tmp/from_scwrl_1795610859_b.pdb or /var/tmp/from_scwrl_1795610859_a.pdb Error: no new SCWRL conformation added # command:# naming current conformation model4-scwrl # command:# ReadConformPDB reading from PDB file model5.ts-submitted looking for model 1 # Found a chain break before 142 # copying to AlignedFragments data structure # command:Warning: Couldn't open file decoys/model5.gdt for output # fraction of real conformation used = 1.000 # GDT_score = -45.357 # GDT_score(maxd=8.000,maxw=2.900)= -44.578 # GDT_score(maxd=8.000,maxw=3.200)= -42.533 # GDT_score(maxd=8.000,maxw=3.500)= -40.355 # GDT_score(maxd=10.000,maxw=3.800)= -43.775 # GDT_score(maxd=10.000,maxw=4.000)= -42.293 # GDT_score(maxd=10.000,maxw=4.200)= -40.885 # GDT_score(maxd=12.000,maxw=4.300)= -44.600 # GDT_score(maxd=12.000,maxw=4.500)= -43.175 # GDT_score(maxd=12.000,maxw=4.700)= -41.820 # GDT_score(maxd=14.000,maxw=5.200)= -42.165 # GDT_score(maxd=14.000,maxw=5.500)= -40.379 # command:# request to SCWRL produces command: ulimit -t 132 ; scwrl3 -i /var/tmp/to_scwrl_9723351.pdb -s /var/tmp/to_scwrl_9723351.seq -o /var/tmp/from_scwrl_9723351.pdb > /var/tmp/scwrl_9723351.log sh: /var/tmp/scwrl_9723351.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_9723351.pdb or /var/tmp/from_scwrl_9723351.pdb.gz for input Warning: Couldn't open file /var/tmp/from_scwrl_9723351_b.pdb or /var/tmp/from_scwrl_9723351_b.pdb.gz for input Trying /var/tmp/from_scwrl_9723351_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_9723351_b.pdb or /var/tmp/from_scwrl_9723351_b.pdb.gz for input Warning: Couldn't open file /var/tmp/from_scwrl_9723351_a.pdb or /var/tmp/from_scwrl_9723351_a.pdb.gz for input Trying /var/tmp/from_scwrl_9723351_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_9723351_a.pdb or /var/tmp/from_scwrl_9723351_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_9723351.pdb or /var/tmp/from_scwrl_9723351_b.pdb or /var/tmp/from_scwrl_9723351_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 T0312.try1-opt2.pdb looking for model 1 # Found a chain break before 145 # 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 = -43.750 # GDT_score(maxd=8.000,maxw=2.900)= -42.199 # GDT_score(maxd=8.000,maxw=3.200)= -40.333 # GDT_score(maxd=8.000,maxw=3.500)= -38.362 # GDT_score(maxd=10.000,maxw=3.800)= -41.835 # GDT_score(maxd=10.000,maxw=4.000)= -40.471 # GDT_score(maxd=10.000,maxw=4.200)= -39.185 # GDT_score(maxd=12.000,maxw=4.300)= -42.834 # GDT_score(maxd=12.000,maxw=4.500)= -41.519 # GDT_score(maxd=12.000,maxw=4.700)= -40.240 # GDT_score(maxd=14.000,maxw=5.200)= -40.631 # GDT_score(maxd=14.000,maxw=5.500)= -38.852 # command:# Prefix for output files set to # command:Warning: Couldn't open file T0312.try1-real.pdb for output Error: Couldn't open file T0312.try1-real.pdb for output superimposing iter= 0 total_weight= 1674 rmsd (weighted)= 10.0404 (unweighted)= 25.3127 superimposing iter= 1 total_weight= 3142.68 rmsd (weighted)= 5.54455 (unweighted)= 25.1808 superimposing iter= 2 total_weight= 1616.03 rmsd (weighted)= 4.44656 (unweighted)= 25.1936 superimposing iter= 3 total_weight= 1433.25 rmsd (weighted)= 3.79908 (unweighted)= 25.2902 superimposing iter= 4 total_weight= 1490.03 rmsd (weighted)= 3.18813 (unweighted)= 25.4113 superimposing iter= 5 total_weight= 1562.27 rmsd (weighted)= 2.62178 (unweighted)= 25.5153 EXPDTA T0312.try1-opt2.pdb MODEL 1 REMARK 44 REMARK 44 model 1 is called T0312.try1-opt2.pdb ATOM 1 N MET A 1 45.198 19.135 29.896 1.00 0.00 ATOM 2 CA MET A 1 45.198 19.173 28.407 1.00 0.00 ATOM 3 CB MET A 1 45.773 20.499 27.905 1.00 0.00 ATOM 4 CG MET A 1 44.915 21.711 28.230 1.00 0.00 ATOM 5 SD MET A 1 43.253 21.591 27.542 1.00 0.00 ATOM 6 CE MET A 1 43.599 21.751 25.792 1.00 0.00 ATOM 7 O MET A 1 47.007 17.602 28.518 1.00 0.00 ATOM 8 C MET A 1 46.053 18.027 27.868 1.00 0.00 ATOM 9 N LYS A 2 45.689 17.537 26.679 1.00 0.00 ATOM 10 CA LYS A 2 46.424 16.435 26.069 1.00 0.00 ATOM 11 CB LYS A 2 45.728 15.970 24.788 1.00 0.00 ATOM 12 CG LYS A 2 44.406 15.256 25.022 1.00 0.00 ATOM 13 CD LYS A 2 43.771 14.829 23.710 1.00 0.00 ATOM 14 CE LYS A 2 42.448 14.115 23.945 1.00 0.00 ATOM 15 NZ LYS A 2 41.799 13.714 22.666 1.00 0.00 ATOM 16 O LYS A 2 48.810 16.135 25.945 1.00 0.00 ATOM 17 C LYS A 2 47.851 16.881 25.816 1.00 0.00 ATOM 18 N VAL A 3 48.023 18.204 25.421 1.00 0.00 ATOM 19 CA VAL A 3 49.342 18.745 25.118 1.00 0.00 ATOM 20 CB VAL A 3 49.324 20.183 24.565 1.00 0.00 ATOM 21 CG1 VAL A 3 50.741 20.720 24.429 1.00 0.00 ATOM 22 CG2 VAL A 3 48.663 20.218 23.196 1.00 0.00 ATOM 23 O VAL A 3 51.343 18.339 26.375 1.00 0.00 ATOM 24 C VAL A 3 50.174 18.734 26.396 1.00 0.00 ATOM 25 N PHE A 4 49.553 19.140 27.481 1.00 0.00 ATOM 26 CA PHE A 4 50.256 19.157 28.766 1.00 0.00 ATOM 27 CB PHE A 4 49.421 19.818 29.865 1.00 0.00 ATOM 28 CG PHE A 4 49.390 21.318 29.783 1.00 0.00 ATOM 29 CD1 PHE A 4 48.283 21.975 29.276 1.00 0.00 ATOM 30 CD2 PHE A 4 50.468 22.071 30.214 1.00 0.00 ATOM 31 CE1 PHE A 4 48.254 23.354 29.199 1.00 0.00 ATOM 32 CE2 PHE A 4 50.439 23.451 30.138 1.00 0.00 ATOM 33 CZ PHE A 4 49.339 24.093 29.633 1.00 0.00 ATOM 34 O PHE A 4 51.601 17.519 29.871 1.00 0.00 ATOM 35 C PHE A 4 50.587 17.740 29.209 1.00 0.00 ATOM 36 N GLU A 5 49.756 16.772 28.831 1.00 0.00 ATOM 37 CA GLU A 5 50.060 15.387 29.167 1.00 0.00 ATOM 38 CB GLU A 5 48.964 14.455 28.643 1.00 0.00 ATOM 39 CG GLU A 5 47.637 14.586 29.372 1.00 0.00 ATOM 40 CD GLU A 5 46.544 13.741 28.748 1.00 0.00 ATOM 41 OE1 GLU A 5 46.805 13.109 27.702 1.00 0.00 ATOM 42 OE2 GLU A 5 45.427 13.710 29.306 1.00 0.00 ATOM 43 O GLU A 5 52.255 14.411 29.116 1.00 0.00 ATOM 44 C GLU A 5 51.409 15.075 28.523 1.00 0.00 ATOM 45 N PHE A 6 51.606 15.563 27.302 1.00 0.00 ATOM 46 CA PHE A 6 52.860 15.352 26.585 1.00 0.00 ATOM 47 CB PHE A 6 52.593 15.193 25.087 1.00 0.00 ATOM 48 CG PHE A 6 51.819 13.954 24.739 1.00 0.00 ATOM 49 CD1 PHE A 6 50.436 13.980 24.676 1.00 0.00 ATOM 50 CD2 PHE A 6 52.471 12.763 24.473 1.00 0.00 ATOM 51 CE1 PHE A 6 49.722 12.840 24.354 1.00 0.00 ATOM 52 CE2 PHE A 6 51.758 11.623 24.152 1.00 0.00 ATOM 53 CZ PHE A 6 50.390 11.659 24.092 1.00 0.00 ATOM 54 O PHE A 6 53.855 17.453 25.970 1.00 0.00 ATOM 55 C PHE A 6 53.851 16.501 26.745 1.00 0.00 ATOM 56 N GLU A 7 54.694 16.394 27.764 1.00 0.00 ATOM 57 CA GLU A 7 55.693 17.415 28.048 1.00 0.00 ATOM 58 CB GLU A 7 55.738 18.167 29.102 1.00 0.00 ATOM 59 CG GLU A 7 57.133 18.778 29.320 1.00 0.00 ATOM 60 CD GLU A 7 57.203 19.650 30.546 1.00 0.00 ATOM 61 OE1 GLU A 7 56.406 20.628 30.603 1.00 0.00 ATOM 62 OE2 GLU A 7 58.029 19.423 31.450 1.00 0.00 ATOM 63 O GLU A 7 57.545 15.956 27.606 1.00 0.00 ATOM 64 C GLU A 7 57.025 17.053 27.399 1.00 0.00 ATOM 65 N VAL A 8 57.577 17.979 26.619 1.00 0.00 ATOM 66 CA VAL A 8 58.841 17.746 25.928 1.00 0.00 ATOM 67 CB VAL A 8 58.631 17.562 24.414 1.00 0.00 ATOM 68 CG1 VAL A 8 57.756 16.349 24.141 1.00 0.00 ATOM 69 CG2 VAL A 8 57.955 18.786 23.817 1.00 0.00 ATOM 70 O VAL A 8 59.514 19.943 26.641 1.00 0.00 ATOM 71 C VAL A 8 59.839 18.890 26.087 1.00 0.00 ATOM 72 N GLY A 9 61.046 18.661 25.577 1.00 0.00 ATOM 73 CA GLY A 9 62.094 19.668 25.661 1.00 0.00 ATOM 74 O GLY A 9 62.906 21.493 24.270 1.00 0.00 ATOM 75 C GLY A 9 62.219 20.415 24.330 1.00 0.00 ATOM 76 N LYS A 10 61.556 19.681 23.326 1.00 0.00 ATOM 77 CA LYS A 10 61.440 20.366 22.027 1.00 0.00 ATOM 78 CB LYS A 10 62.605 19.852 21.179 1.00 0.00 ATOM 79 CG LYS A 10 63.972 20.328 21.648 1.00 0.00 ATOM 80 CD LYS A 10 65.067 19.893 20.688 1.00 0.00 ATOM 81 CE LYS A 10 66.412 20.477 21.084 1.00 0.00 ATOM 82 NZ LYS A 10 67.494 20.070 20.145 1.00 0.00 ATOM 83 O LYS A 10 59.639 18.880 21.466 1.00 0.00 ATOM 84 C LYS A 10 60.134 20.001 21.329 1.00 0.00 ATOM 85 N GLY A 11 59.561 20.969 20.621 1.00 0.00 ATOM 86 CA GLY A 11 58.313 20.774 19.898 1.00 0.00 ATOM 87 O GLY A 11 59.041 22.515 18.420 1.00 0.00 ATOM 88 C GLY A 11 58.481 21.419 18.541 1.00 0.00 ATOM 89 N PHE A 12 57.907 20.807 17.365 1.00 0.00 ATOM 90 CA PHE A 12 57.996 21.327 16.014 1.00 0.00 ATOM 91 CB PHE A 12 59.418 21.116 15.489 1.00 0.00 ATOM 92 CG PHE A 12 59.851 19.678 15.475 1.00 0.00 ATOM 93 CD1 PHE A 12 59.661 18.894 14.352 1.00 0.00 ATOM 94 CD2 PHE A 12 60.449 19.110 16.586 1.00 0.00 ATOM 95 CE1 PHE A 12 60.061 17.570 14.339 1.00 0.00 ATOM 96 CE2 PHE A 12 60.850 17.788 16.574 1.00 0.00 ATOM 97 CZ PHE A 12 60.657 17.017 15.456 1.00 0.00 ATOM 98 O PHE A 12 56.709 19.417 15.333 1.00 0.00 ATOM 99 C PHE A 12 57.029 20.581 15.099 1.00 0.00 ATOM 100 N LEU A 13 56.515 21.264 14.064 1.00 0.00 ATOM 101 CA LEU A 13 55.572 20.644 13.129 1.00 0.00 ATOM 102 CB LEU A 13 54.641 21.695 12.523 1.00 0.00 ATOM 103 CG LEU A 13 53.772 22.481 13.506 1.00 0.00 ATOM 104 CD1 LEU A 13 52.958 23.540 12.779 1.00 0.00 ATOM 105 CD2 LEU A 13 52.807 21.554 14.230 1.00 0.00 ATOM 106 O LEU A 13 57.380 20.138 11.623 1.00 0.00 ATOM 107 C LEU A 13 56.209 19.933 11.937 1.00 0.00 ATOM 108 N LEU A 14 55.413 19.087 11.288 1.00 0.00 ATOM 109 CA LEU A 14 55.838 18.344 10.104 1.00 0.00 ATOM 110 CB LEU A 14 56.459 17.007 10.516 1.00 0.00 ATOM 111 CG LEU A 14 57.786 17.081 11.274 1.00 0.00 ATOM 112 CD1 LEU A 14 58.168 15.715 11.823 1.00 0.00 ATOM 113 CD2 LEU A 14 58.904 17.554 10.355 1.00 0.00 ATOM 114 O LEU A 14 53.479 18.170 9.741 1.00 0.00 ATOM 115 C LEU A 14 54.602 18.180 9.235 1.00 0.00 ATOM 116 N ARG A 15 54.809 18.057 7.929 1.00 0.00 ATOM 117 CA ARG A 15 53.694 17.904 7.005 1.00 0.00 ATOM 118 CB ARG A 15 53.136 19.242 6.515 1.00 0.00 ATOM 119 CG ARG A 15 52.495 20.085 7.607 1.00 0.00 ATOM 120 CD ARG A 15 51.923 21.375 7.043 1.00 0.00 ATOM 121 NE ARG A 15 51.267 22.177 8.074 1.00 0.00 ATOM 122 CZ ARG A 15 50.656 23.335 7.842 1.00 0.00 ATOM 123 NH1 ARG A 15 50.087 23.996 8.841 1.00 0.00 ATOM 124 NH2 ARG A 15 50.616 23.830 6.612 1.00 0.00 ATOM 125 O ARG A 15 55.188 17.342 5.222 1.00 0.00 ATOM 126 C ARG A 15 54.093 17.150 5.745 1.00 0.00 ATOM 127 N LEU A 16 53.191 16.293 5.276 1.00 0.00 ATOM 128 CA LEU A 16 53.399 15.519 4.055 1.00 0.00 ATOM 129 CB LEU A 16 53.284 16.387 2.801 1.00 0.00 ATOM 130 CG LEU A 16 51.950 17.107 2.594 1.00 0.00 ATOM 131 CD1 LEU A 16 52.017 18.031 1.389 1.00 0.00 ATOM 132 CD2 LEU A 16 50.828 16.105 2.364 1.00 0.00 ATOM 133 O LEU A 16 55.594 15.196 3.147 1.00 0.00 ATOM 134 C LEU A 16 54.781 14.865 4.012 1.00 0.00 ATOM 135 N ASP A 17 55.041 13.942 4.934 1.00 0.00 ATOM 136 CA ASP A 17 56.329 13.249 4.990 1.00 0.00 ATOM 137 CB ASP A 17 57.232 13.852 6.068 1.00 0.00 ATOM 138 CG ASP A 17 57.592 15.297 5.782 1.00 0.00 ATOM 139 OD1 ASP A 17 57.326 15.764 4.655 1.00 0.00 ATOM 140 OD2 ASP A 17 58.142 15.962 6.687 1.00 0.00 ATOM 141 O ASP A 17 55.259 11.362 6.044 1.00 0.00 ATOM 142 C ASP A 17 56.177 11.766 5.324 1.00 0.00 ATOM 143 N TYR A 18 57.099 10.968 4.795 1.00 0.00 ATOM 144 CA TYR A 18 57.114 9.528 5.013 1.00 0.00 ATOM 145 CB TYR A 18 57.998 8.840 3.970 1.00 0.00 ATOM 146 CG TYR A 18 57.421 8.855 2.573 1.00 0.00 ATOM 147 CD1 TYR A 18 57.770 9.851 1.670 1.00 0.00 ATOM 148 CD2 TYR A 18 56.530 7.873 2.161 1.00 0.00 ATOM 149 CE1 TYR A 18 57.248 9.873 0.391 1.00 0.00 ATOM 150 CE2 TYR A 18 55.997 7.879 0.885 1.00 0.00 ATOM 151 CZ TYR A 18 56.365 8.891 -0.001 1.00 0.00 ATOM 152 OH TYR A 18 55.844 8.911 -1.274 1.00 0.00 ATOM 153 O TYR A 18 58.240 10.071 7.054 1.00 0.00 ATOM 154 C TYR A 18 57.665 9.206 6.396 1.00 0.00 ATOM 155 N GLY A 19 57.494 7.958 6.826 1.00 0.00 ATOM 156 CA GLY A 19 58.001 7.545 8.125 1.00 0.00 ATOM 157 O GLY A 19 60.025 8.278 9.257 1.00 0.00 ATOM 158 C GLY A 19 59.523 7.739 8.247 1.00 0.00 ATOM 159 N LYS A 20 60.257 7.329 7.204 1.00 0.00 ATOM 160 CA LYS A 20 61.708 7.494 7.200 1.00 0.00 ATOM 161 CB LYS A 20 62.296 6.979 5.885 1.00 0.00 ATOM 162 CG LYS A 20 62.270 5.466 5.744 1.00 0.00 ATOM 163 CD LYS A 20 62.870 5.024 4.419 1.00 0.00 ATOM 164 CE LYS A 20 62.821 3.513 4.267 1.00 0.00 ATOM 165 NZ LYS A 20 63.376 3.068 2.958 1.00 0.00 ATOM 166 O LYS A 20 62.997 9.305 8.111 1.00 0.00 ATOM 167 C LYS A 20 62.089 8.964 7.347 1.00 0.00 ATOM 168 N ASP A 21 61.407 9.827 6.600 1.00 0.00 ATOM 169 CA ASP A 21 61.691 11.258 6.641 1.00 0.00 ATOM 170 CB ASP A 21 60.899 11.992 5.557 1.00 0.00 ATOM 171 CG ASP A 21 61.441 11.734 4.166 1.00 0.00 ATOM 172 OD1 ASP A 21 62.561 11.193 4.055 1.00 0.00 ATOM 173 OD2 ASP A 21 60.744 12.071 3.184 1.00 0.00 ATOM 174 O ASP A 21 61.959 12.841 8.422 1.00 0.00 ATOM 175 C ASP A 21 61.326 11.880 7.985 1.00 0.00 ATOM 176 N LEU A 22 60.300 11.328 8.631 1.00 0.00 ATOM 177 CA LEU A 22 59.870 11.826 9.932 1.00 0.00 ATOM 178 CB LEU A 22 58.516 11.225 10.315 1.00 0.00 ATOM 179 CG LEU A 22 57.313 11.685 9.489 1.00 0.00 ATOM 180 CD1 LEU A 22 56.073 10.882 9.853 1.00 0.00 ATOM 181 CD2 LEU A 22 57.018 13.156 9.743 1.00 0.00 ATOM 182 O LEU A 22 61.273 12.233 11.820 1.00 0.00 ATOM 183 C LEU A 22 60.913 11.431 10.965 1.00 0.00 ATOM 184 N VAL A 23 61.403 10.212 10.885 1.00 0.00 ATOM 185 CA VAL A 23 62.421 9.743 11.818 1.00 0.00 ATOM 186 CB VAL A 23 62.737 8.251 11.605 1.00 0.00 ATOM 187 CG1 VAL A 23 63.927 7.831 12.457 1.00 0.00 ATOM 188 CG2 VAL A 23 61.542 7.393 11.994 1.00 0.00 ATOM 189 O VAL A 23 64.409 10.850 12.591 1.00 0.00 ATOM 190 C VAL A 23 63.715 10.535 11.627 1.00 0.00 ATOM 191 N ARG A 24 64.042 10.847 10.377 1.00 0.00 ATOM 192 CA ARG A 24 65.260 11.604 10.086 1.00 0.00 ATOM 193 CB ARG A 24 65.429 11.786 8.576 1.00 0.00 ATOM 194 CG ARG A 24 65.792 10.509 7.833 1.00 0.00 ATOM 195 CD ARG A 24 65.860 10.745 6.332 1.00 0.00 ATOM 196 NE ARG A 24 66.184 9.523 5.601 1.00 0.00 ATOM 197 CZ ARG A 24 66.197 9.426 4.277 1.00 0.00 ATOM 198 NH1 ARG A 24 66.505 8.273 3.699 1.00 0.00 ATOM 199 NH2 ARG A 24 65.905 10.483 3.532 1.00 0.00 ATOM 200 O ARG A 24 66.197 13.494 11.220 1.00 0.00 ATOM 201 C ARG A 24 65.187 12.972 10.752 1.00 0.00 ATOM 202 N GLN A 25 63.989 13.552 10.792 1.00 0.00 ATOM 203 CA GLN A 25 63.798 14.854 11.424 1.00 0.00 ATOM 204 CB GLN A 25 62.380 15.369 11.169 1.00 0.00 ATOM 205 CG GLN A 25 62.096 15.712 9.716 1.00 0.00 ATOM 206 CD GLN A 25 63.008 16.802 9.185 1.00 0.00 ATOM 207 OE1 GLN A 25 63.215 17.823 9.840 1.00 0.00 ATOM 208 NE2 GLN A 25 63.556 16.587 7.996 1.00 0.00 ATOM 209 O GLN A 25 64.726 15.544 13.534 1.00 0.00 ATOM 210 C GLN A 25 64.020 14.734 12.930 1.00 0.00 ATOM 211 N ILE A 26 63.415 13.714 13.530 1.00 0.00 ATOM 212 CA ILE A 26 63.556 13.490 14.959 1.00 0.00 ATOM 213 CB ILE A 26 62.738 12.270 15.422 1.00 0.00 ATOM 214 CG1 ILE A 26 61.240 12.556 15.298 1.00 0.00 ATOM 215 CG2 ILE A 26 63.048 11.939 16.874 1.00 0.00 ATOM 216 CD1 ILE A 26 60.368 11.332 15.477 1.00 0.00 ATOM 217 O ILE A 26 65.538 13.722 16.293 1.00 0.00 ATOM 218 C ILE A 26 65.028 13.241 15.283 1.00 0.00 ATOM 219 N GLU A 27 65.713 12.508 14.413 1.00 0.00 ATOM 220 CA GLU A 27 67.129 12.219 14.611 1.00 0.00 ATOM 221 CB GLU A 27 67.707 11.339 13.511 1.00 0.00 ATOM 222 CG GLU A 27 67.244 9.925 13.565 1.00 0.00 ATOM 223 CD GLU A 27 67.921 9.021 12.565 1.00 0.00 ATOM 224 OE1 GLU A 27 68.543 9.545 11.603 1.00 0.00 ATOM 225 OE2 GLU A 27 67.847 7.797 12.730 1.00 0.00 ATOM 226 O GLU A 27 68.712 13.752 15.528 1.00 0.00 ATOM 227 C GLU A 27 67.857 13.573 14.651 1.00 0.00 ATOM 228 N GLU A 28 67.466 14.482 13.767 1.00 0.00 ATOM 229 CA GLU A 28 68.104 15.800 13.749 1.00 0.00 ATOM 230 CB GLU A 28 67.622 16.550 12.506 1.00 0.00 ATOM 231 CG GLU A 28 68.047 15.914 11.193 1.00 0.00 ATOM 232 CD GLU A 28 67.498 16.647 9.985 1.00 0.00 ATOM 233 OE1 GLU A 28 66.735 17.617 10.174 1.00 0.00 ATOM 234 OE2 GLU A 28 67.831 16.251 8.848 1.00 0.00 ATOM 235 O GLU A 28 68.698 17.462 15.371 1.00 0.00 ATOM 236 C GLU A 28 67.827 16.705 14.944 1.00 0.00 ATOM 237 N PHE A 29 66.609 16.623 15.473 1.00 0.00 ATOM 238 CA PHE A 29 66.205 17.462 16.594 1.00 0.00 ATOM 239 CB PHE A 29 64.691 17.686 16.584 1.00 0.00 ATOM 240 CG PHE A 29 64.212 18.529 15.436 1.00 0.00 ATOM 241 CD1 PHE A 29 63.698 17.941 14.294 1.00 0.00 ATOM 242 CD2 PHE A 29 64.273 19.910 15.501 1.00 0.00 ATOM 243 CE1 PHE A 29 63.255 18.716 13.239 1.00 0.00 ATOM 244 CE2 PHE A 29 63.832 20.686 14.446 1.00 0.00 ATOM 245 CZ PHE A 29 63.324 20.095 13.319 1.00 0.00 ATOM 246 O PHE A 29 66.589 17.684 18.945 1.00 0.00 ATOM 247 C PHE A 29 66.522 16.917 17.986 1.00 0.00 ATOM 248 N LEU A 30 66.656 15.525 18.057 1.00 0.00 ATOM 249 CA LEU A 30 66.972 14.945 19.359 1.00 0.00 ATOM 250 CB LEU A 30 66.984 13.417 19.275 1.00 0.00 ATOM 251 CG LEU A 30 65.655 12.746 18.926 1.00 0.00 ATOM 252 CD1 LEU A 30 65.840 11.245 18.751 1.00 0.00 ATOM 253 CD2 LEU A 30 64.632 12.973 20.028 1.00 0.00 ATOM 254 O LEU A 30 69.190 15.775 18.981 1.00 0.00 ATOM 255 C LEU A 30 68.351 15.414 19.809 1.00 0.00 ATOM 256 N GLU A 31 68.583 15.406 21.120 1.00 0.00 ATOM 257 CA GLU A 31 69.860 15.837 21.677 1.00 0.00 ATOM 258 CB GLU A 31 69.820 15.792 23.206 1.00 0.00 ATOM 259 CG GLU A 31 71.087 16.296 23.876 1.00 0.00 ATOM 260 CD GLU A 31 70.989 16.291 25.389 1.00 0.00 ATOM 261 OE1 GLU A 31 69.920 15.911 25.913 1.00 0.00 ATOM 262 OE2 GLU A 31 71.978 16.666 26.049 1.00 0.00 ATOM 263 O GLU A 31 72.124 15.463 20.978 1.00 0.00 ATOM 264 C GLU A 31 71.026 14.966 21.228 1.00 0.00 ATOM 265 N GLU A 32 70.802 13.601 21.087 1.00 0.00 ATOM 266 CA GLU A 32 71.844 12.674 20.679 1.00 0.00 ATOM 267 CB GLU A 32 72.910 12.551 21.769 1.00 0.00 ATOM 268 CG GLU A 32 74.045 11.600 21.425 1.00 0.00 ATOM 269 CD GLU A 32 75.116 11.557 22.498 1.00 0.00 ATOM 270 OE1 GLU A 32 74.949 12.240 23.530 1.00 0.00 ATOM 271 OE2 GLU A 32 76.120 10.840 22.305 1.00 0.00 ATOM 272 O GLU A 32 70.475 10.766 21.169 1.00 0.00 ATOM 273 C GLU A 32 71.313 11.273 20.421 1.00 0.00 ATOM 274 N LYS A 33 71.809 10.648 19.357 1.00 0.00 ATOM 275 CA LYS A 33 71.392 9.296 19.031 1.00 0.00 ATOM 276 CB LYS A 33 72.253 8.861 17.690 1.00 0.00 ATOM 277 CG LYS A 33 72.770 9.882 16.738 1.00 0.00 ATOM 278 CD LYS A 33 73.774 9.213 15.787 1.00 0.00 ATOM 279 CE LYS A 33 73.018 8.359 14.708 1.00 0.00 ATOM 280 NZ LYS A 33 73.677 7.139 14.207 1.00 0.00 ATOM 281 O LYS A 33 71.551 7.207 20.205 1.00 0.00 ATOM 282 C LYS A 33 71.999 8.350 20.063 1.00 0.00 ATOM 283 N GLY A 34 73.024 8.813 20.774 1.00 0.00 ATOM 284 CA GLY A 34 73.653 7.973 21.773 1.00 0.00 ATOM 285 O GLY A 34 73.416 7.867 24.136 1.00 0.00 ATOM 286 C GLY A 34 72.839 8.013 23.063 1.00 0.00 ATOM 287 N ILE A 35 71.365 8.289 23.137 1.00 0.00 ATOM 288 CA ILE A 35 70.598 8.421 24.388 1.00 0.00 ATOM 289 CB ILE A 35 70.384 9.866 24.880 1.00 0.00 ATOM 290 CG1 ILE A 35 69.699 10.703 23.797 1.00 0.00 ATOM 291 CG2 ILE A 35 71.717 10.514 25.219 1.00 0.00 ATOM 292 CD1 ILE A 35 69.269 12.075 24.268 1.00 0.00 ATOM 293 O ILE A 35 68.825 7.678 22.950 1.00 0.00 ATOM 294 C ILE A 35 69.229 7.825 24.104 1.00 0.00 ATOM 295 N HIS A 36 68.522 7.481 25.168 1.00 0.00 ATOM 296 CA HIS A 36 67.164 6.960 25.065 1.00 0.00 ATOM 297 CB HIS A 36 67.110 5.508 25.597 1.00 0.00 ATOM 298 CG HIS A 36 67.790 5.292 26.938 1.00 0.00 ATOM 299 CD2 HIS A 36 67.277 5.195 28.193 1.00 0.00 ATOM 300 ND1 HIS A 36 69.159 5.080 27.057 1.00 0.00 ATOM 301 CE1 HIS A 36 69.460 4.916 28.343 1.00 0.00 ATOM 302 NE2 HIS A 36 68.340 4.962 29.045 1.00 0.00 ATOM 303 O HIS A 36 66.521 8.030 27.115 1.00 0.00 ATOM 304 C HIS A 36 66.175 7.635 25.999 1.00 0.00 ATOM 305 N ALA A 37 64.942 7.764 25.530 1.00 0.00 ATOM 306 CA ALA A 37 63.869 8.326 26.338 1.00 0.00 ATOM 307 CB ALA A 37 62.586 8.278 25.549 1.00 0.00 ATOM 308 O ALA A 37 63.949 6.240 27.519 1.00 0.00 ATOM 309 C ALA A 37 63.683 7.444 27.570 1.00 0.00 ATOM 310 N ALA A 38 65.134 8.571 24.233 1.00 0.00 ATOM 311 CA ALA A 38 64.272 9.730 24.032 1.00 0.00 ATOM 312 CB ALA A 38 64.733 10.532 22.825 1.00 0.00 ATOM 313 O ALA A 38 62.606 8.152 23.330 1.00 0.00 ATOM 314 C ALA A 38 62.843 9.275 23.773 1.00 0.00 ATOM 315 N HIS A 39 61.892 10.152 24.062 1.00 0.00 ATOM 316 CA HIS A 39 60.490 9.845 23.852 1.00 0.00 ATOM 317 CB HIS A 39 59.713 10.050 25.152 1.00 0.00 ATOM 318 CG HIS A 39 58.279 9.629 25.072 1.00 0.00 ATOM 319 CD2 HIS A 39 57.542 8.400 25.330 1.00 0.00 ATOM 320 ND1 HIS A 39 57.273 10.483 24.676 1.00 0.00 ATOM 321 CE1 HIS A 39 56.101 9.821 24.703 1.00 0.00 ATOM 322 NE2 HIS A 39 56.255 8.573 25.096 1.00 0.00 ATOM 323 O HIS A 39 60.368 11.911 22.651 1.00 0.00 ATOM 324 C HIS A 39 59.932 10.769 22.781 1.00 0.00 ATOM 325 N ILE A 40 58.968 10.275 22.016 1.00 0.00 ATOM 326 CA ILE A 40 58.361 11.081 20.971 1.00 0.00 ATOM 327 CB ILE A 40 58.823 10.629 19.574 1.00 0.00 ATOM 328 CG1 ILE A 40 58.433 9.169 19.330 1.00 0.00 ATOM 329 CG2 ILE A 40 60.334 10.752 19.446 1.00 0.00 ATOM 330 CD1 ILE A 40 58.680 8.699 17.913 1.00 0.00 ATOM 331 O ILE A 40 56.258 9.975 21.400 1.00 0.00 ATOM 332 C ILE A 40 56.846 10.976 21.008 1.00 0.00 ATOM 333 N SER A 41 56.217 12.086 20.631 1.00 0.00 ATOM 334 CA SER A 41 54.785 12.133 20.423 1.00 0.00 ATOM 335 CB SER A 41 54.214 12.912 21.609 1.00 0.00 ATOM 336 OG SER A 41 52.806 13.029 21.513 1.00 0.00 ATOM 337 O SER A 41 54.957 13.969 18.870 1.00 0.00 ATOM 338 C SER A 41 54.494 12.845 19.105 1.00 0.00 ATOM 339 N ALA A 42 53.738 12.184 18.247 1.00 0.00 ATOM 340 CA ALA A 42 53.399 12.750 16.944 1.00 0.00 ATOM 341 CB ALA A 42 53.998 11.895 15.838 1.00 0.00 ATOM 342 O ALA A 42 51.268 11.689 16.752 1.00 0.00 ATOM 343 C ALA A 42 51.882 12.750 16.847 1.00 0.00 ATOM 344 N ILE A 43 51.279 13.936 16.883 1.00 0.00 ATOM 345 CA ILE A 43 49.823 14.047 16.830 1.00 0.00 ATOM 346 CB ILE A 43 49.192 14.716 18.109 1.00 0.00 ATOM 347 CG1 ILE A 43 49.601 13.977 19.381 1.00 0.00 ATOM 348 CG2 ILE A 43 47.660 14.742 18.030 1.00 0.00 ATOM 349 CD1 ILE A 43 49.098 14.680 20.620 1.00 0.00 ATOM 350 O ILE A 43 49.846 15.973 15.403 1.00 0.00 ATOM 351 C ILE A 43 49.312 14.902 15.677 1.00 0.00 ATOM 352 N GLY A 44 48.254 14.428 15.027 1.00 0.00 ATOM 353 CA GLY A 44 47.671 15.156 13.914 1.00 0.00 ATOM 354 O GLY A 44 46.425 13.202 13.325 1.00 0.00 ATOM 355 C GLY A 44 46.996 14.219 12.929 1.00 0.00 ATOM 356 N ALA A 45 47.063 14.559 11.646 1.00 0.00 ATOM 357 CA ALA A 45 46.460 13.732 10.609 1.00 0.00 ATOM 358 CB ALA A 45 45.729 14.595 9.592 1.00 0.00 ATOM 359 O ALA A 45 48.524 13.487 9.395 1.00 0.00 ATOM 360 C ALA A 45 47.498 12.947 9.806 1.00 0.00 ATOM 361 N VAL A 46 47.226 11.668 9.591 1.00 0.00 ATOM 362 CA VAL A 46 48.138 10.812 8.844 1.00 0.00 ATOM 363 CB VAL A 46 48.477 9.562 9.677 1.00 0.00 ATOM 364 CG1 VAL A 46 49.423 8.651 8.908 1.00 0.00 ATOM 365 CG2 VAL A 46 49.146 9.958 10.984 1.00 0.00 ATOM 366 O VAL A 46 46.441 9.796 7.509 1.00 0.00 ATOM 367 C VAL A 46 47.540 10.355 7.534 1.00 0.00 ATOM 368 N ARG A 47 48.263 10.594 6.444 1.00 0.00 ATOM 369 CA ARG A 47 47.798 10.192 5.122 1.00 0.00 ATOM 370 CB ARG A 47 48.766 10.682 4.043 1.00 0.00 ATOM 371 CG ARG A 47 48.338 10.339 2.625 1.00 0.00 ATOM 372 CD ARG A 47 49.281 10.951 1.601 1.00 0.00 ATOM 373 NE ARG A 47 48.908 10.596 0.234 1.00 0.00 ATOM 374 CZ ARG A 47 49.593 10.959 -0.845 1.00 0.00 ATOM 375 NH1 ARG A 47 49.179 10.591 -2.049 1.00 0.00 ATOM 376 NH2 ARG A 47 50.693 11.690 -0.718 1.00 0.00 ATOM 377 O ARG A 47 46.833 8.114 4.433 1.00 0.00 ATOM 378 C ARG A 47 47.724 8.679 5.061 1.00 0.00 ATOM 379 N SER A 48 48.672 8.027 5.725 1.00 0.00 ATOM 380 CA SER A 48 48.728 6.573 5.745 1.00 0.00 ATOM 381 CB SER A 48 49.708 6.049 4.694 1.00 0.00 ATOM 382 OG SER A 48 49.773 4.635 4.716 1.00 0.00 ATOM 383 O SER A 48 50.094 6.636 7.717 1.00 0.00 ATOM 384 C SER A 48 49.194 6.067 7.112 1.00 0.00 ATOM 385 N ALA A 49 48.561 5.006 7.597 1.00 0.00 ATOM 386 CA ALA A 49 48.926 4.413 8.878 1.00 0.00 ATOM 387 CB ALA A 49 47.949 4.858 9.955 1.00 0.00 ATOM 388 O ALA A 49 47.899 2.361 8.194 1.00 0.00 ATOM 389 C ALA A 49 48.873 2.901 8.713 1.00 0.00 ATOM 390 N VAL A 50 49.935 2.230 9.144 1.00 0.00 ATOM 391 CA VAL A 50 50.039 0.780 9.036 1.00 0.00 ATOM 392 CB VAL A 50 51.043 0.367 7.944 1.00 0.00 ATOM 393 CG1 VAL A 50 51.154 -1.148 7.869 1.00 0.00 ATOM 394 CG2 VAL A 50 50.596 0.883 6.585 1.00 0.00 ATOM 395 O VAL A 50 51.613 0.508 10.823 1.00 0.00 ATOM 396 C VAL A 50 50.509 0.213 10.376 1.00 0.00 ATOM 397 N ILE A 51 49.667 -0.597 11.013 1.00 0.00 ATOM 398 CA ILE A 51 50.015 -1.187 12.304 1.00 0.00 ATOM 399 CB ILE A 51 49.219 -0.494 13.440 1.00 0.00 ATOM 400 CG1 ILE A 51 47.708 -0.675 13.246 1.00 0.00 ATOM 401 CG2 ILE A 51 49.555 0.980 13.498 1.00 0.00 ATOM 402 CD1 ILE A 51 46.893 -0.127 14.399 1.00 0.00 ATOM 403 O ILE A 51 49.092 -3.244 11.468 1.00 0.00 ATOM 404 C ILE A 51 49.748 -2.683 12.350 1.00 0.00 ATOM 405 N GLY A 52 50.265 -3.322 13.393 1.00 0.00 ATOM 406 CA GLY A 52 50.032 -4.735 13.614 1.00 0.00 ATOM 407 O GLY A 52 49.731 -3.972 15.866 1.00 0.00 ATOM 408 C GLY A 52 49.497 -4.850 15.031 1.00 0.00 ATOM 409 N TYR A 53 48.765 -5.925 15.297 1.00 0.00 ATOM 410 CA TYR A 53 48.227 -6.173 16.626 1.00 0.00 ATOM 411 CB TYR A 53 46.698 -6.157 16.596 1.00 0.00 ATOM 412 CG TYR A 53 46.058 -6.324 17.957 1.00 0.00 ATOM 413 CD1 TYR A 53 46.015 -5.267 18.858 1.00 0.00 ATOM 414 CD2 TYR A 53 45.499 -7.538 18.336 1.00 0.00 ATOM 415 CE1 TYR A 53 45.432 -5.411 20.101 1.00 0.00 ATOM 416 CE2 TYR A 53 44.912 -7.700 19.577 1.00 0.00 ATOM 417 CZ TYR A 53 44.883 -6.622 20.461 1.00 0.00 ATOM 418 OH TYR A 53 44.302 -6.768 21.700 1.00 0.00 ATOM 419 O TYR A 53 48.252 -8.570 16.543 1.00 0.00 ATOM 420 C TYR A 53 48.758 -7.545 17.008 1.00 0.00 ATOM 421 N TYR A 54 49.800 -7.564 17.833 1.00 0.00 ATOM 422 CA TYR A 54 50.411 -8.819 18.233 1.00 0.00 ATOM 423 CB TYR A 54 51.278 -9.330 17.064 1.00 0.00 ATOM 424 CG TYR A 54 52.462 -8.441 16.753 1.00 0.00 ATOM 425 CD1 TYR A 54 52.317 -7.287 15.988 1.00 0.00 ATOM 426 CD2 TYR A 54 53.717 -8.717 17.280 1.00 0.00 ATOM 427 CE1 TYR A 54 53.391 -6.423 15.766 1.00 0.00 ATOM 428 CE2 TYR A 54 54.800 -7.863 17.069 1.00 0.00 ATOM 429 CZ TYR A 54 54.631 -6.711 16.314 1.00 0.00 ATOM 430 OH TYR A 54 55.694 -5.848 16.131 1.00 0.00 ATOM 431 O TYR A 54 51.672 -7.572 19.863 1.00 0.00 ATOM 432 C TYR A 54 51.194 -8.651 19.528 1.00 0.00 ATOM 433 N ASP A 55 51.322 -9.753 20.257 1.00 0.00 ATOM 434 CA ASP A 55 52.124 -9.735 21.473 1.00 0.00 ATOM 435 CB ASP A 55 52.034 -11.069 22.226 1.00 0.00 ATOM 436 CG ASP A 55 50.728 -11.238 22.963 1.00 0.00 ATOM 437 OD1 ASP A 55 49.974 -10.251 23.079 1.00 0.00 ATOM 438 OD2 ASP A 55 50.471 -12.364 23.438 1.00 0.00 ATOM 439 O ASP A 55 54.132 -10.190 20.184 1.00 0.00 ATOM 440 C ASP A 55 53.591 -9.551 21.092 1.00 0.00 ATOM 441 N GLN A 56 54.248 -8.699 21.868 1.00 0.00 ATOM 442 CA GLN A 56 55.655 -8.372 21.647 1.00 0.00 ATOM 443 CB GLN A 56 56.010 -7.086 22.401 1.00 0.00 ATOM 444 CG GLN A 56 55.271 -5.859 21.809 1.00 0.00 ATOM 445 CD GLN A 56 55.728 -5.578 20.384 1.00 0.00 ATOM 446 OE1 GLN A 56 56.886 -5.207 20.122 1.00 0.00 ATOM 447 NE2 GLN A 56 54.835 -5.754 19.412 1.00 0.00 ATOM 448 O GLN A 56 56.151 -10.346 22.839 1.00 0.00 ATOM 449 C GLN A 56 56.542 -9.541 22.030 1.00 0.00 ATOM 450 N GLU A 57 57.623 -9.781 21.260 1.00 0.00 ATOM 451 CA GLU A 57 58.421 -10.985 21.440 1.00 0.00 ATOM 452 CB GLU A 57 58.499 -11.817 20.135 1.00 0.00 ATOM 453 CG GLU A 57 57.131 -12.381 19.770 1.00 0.00 ATOM 454 CD GLU A 57 57.216 -13.079 18.394 1.00 0.00 ATOM 455 OE1 GLU A 57 58.034 -13.981 18.318 1.00 0.00 ATOM 456 OE2 GLU A 57 56.553 -12.665 17.458 1.00 0.00 ATOM 457 O GLU A 57 60.278 -9.516 21.537 1.00 0.00 ATOM 458 C GLU A 57 59.822 -10.631 21.890 1.00 0.00 ATOM 459 N LYS A 58 59.967 -11.255 23.132 1.00 0.00 ATOM 460 CA LYS A 58 61.241 -11.139 23.826 1.00 0.00 ATOM 461 CB LYS A 58 61.085 -11.518 25.300 1.00 0.00 ATOM 462 CG LYS A 58 60.214 -10.561 26.098 1.00 0.00 ATOM 463 CD LYS A 58 60.136 -10.973 27.559 1.00 0.00 ATOM 464 CE LYS A 58 59.265 -10.015 28.357 1.00 0.00 ATOM 465 NZ LYS A 58 59.187 -10.402 29.793 1.00 0.00 ATOM 466 O LYS A 58 61.785 -13.190 22.714 1.00 0.00 ATOM 467 C LYS A 58 62.187 -12.094 23.110 1.00 0.00 ATOM 468 N LYS A 59 63.454 -11.692 22.921 1.00 0.00 ATOM 469 CA LYS A 59 64.424 -12.556 22.239 1.00 0.00 ATOM 470 CB LYS A 59 65.668 -11.698 21.987 1.00 0.00 ATOM 471 CG LYS A 59 66.409 -11.248 23.243 1.00 0.00 ATOM 472 CD LYS A 59 67.490 -10.231 22.940 1.00 0.00 ATOM 473 CE LYS A 59 68.418 -10.017 24.119 1.00 0.00 ATOM 474 NZ LYS A 59 69.520 -9.069 23.830 1.00 0.00 ATOM 475 O LYS A 59 64.707 -13.789 24.278 1.00 0.00 ATOM 476 C LYS A 59 64.735 -13.813 23.049 1.00 0.00 ATOM 477 N GLU A 60 65.020 -14.936 22.367 1.00 0.00 ATOM 478 CA GLU A 60 65.075 -15.126 20.913 1.00 0.00 ATOM 479 CB GLU A 60 65.380 -16.588 20.602 1.00 0.00 ATOM 480 CG GLU A 60 66.845 -16.977 20.925 1.00 0.00 ATOM 481 CD GLU A 60 67.078 -18.447 20.651 1.00 0.00 ATOM 482 OE1 GLU A 60 66.681 -19.328 21.391 1.00 0.00 ATOM 483 OE2 GLU A 60 67.663 -18.696 19.520 1.00 0.00 ATOM 484 O GLU A 60 62.679 -14.963 20.964 1.00 0.00 ATOM 485 C GLU A 60 63.708 -14.816 20.305 1.00 0.00 ATOM 486 N TYR A 61 63.711 -14.356 19.057 1.00 0.00 ATOM 487 CA TYR A 61 62.481 -13.994 18.361 1.00 0.00 ATOM 488 CB TYR A 61 62.663 -12.782 17.446 1.00 0.00 ATOM 489 CG TYR A 61 62.759 -11.466 18.186 1.00 0.00 ATOM 490 CD1 TYR A 61 63.996 -10.910 18.489 1.00 0.00 ATOM 491 CD2 TYR A 61 61.614 -10.784 18.576 1.00 0.00 ATOM 492 CE1 TYR A 61 64.093 -9.708 19.164 1.00 0.00 ATOM 493 CE2 TYR A 61 61.693 -9.581 19.253 1.00 0.00 ATOM 494 CZ TYR A 61 62.946 -9.045 19.545 1.00 0.00 ATOM 495 OH TYR A 61 63.041 -7.850 20.217 1.00 0.00 ATOM 496 O TYR A 61 62.750 -15.977 17.047 1.00 0.00 ATOM 497 C TYR A 61 61.989 -15.085 17.421 1.00 0.00 ATOM 498 N VAL A 62 60.679 -15.076 17.128 1.00 0.00 ATOM 499 CA VAL A 62 60.113 -16.060 16.209 1.00 0.00 ATOM 500 CB VAL A 62 59.058 -16.901 16.950 1.00 0.00 ATOM 501 CG1 VAL A 62 59.703 -17.688 18.081 1.00 0.00 ATOM 502 CG2 VAL A 62 57.981 -16.004 17.542 1.00 0.00 ATOM 503 O VAL A 62 59.550 -14.046 15.039 1.00 0.00 ATOM 504 C VAL A 62 59.467 -15.276 15.072 1.00 0.00 ATOM 505 N LYS A 63 58.978 -16.241 14.095 1.00 0.00 ATOM 506 CA LYS A 63 58.346 -15.648 12.923 1.00 0.00 ATOM 507 CB LYS A 63 57.818 -16.739 11.989 1.00 0.00 ATOM 508 CG LYS A 63 58.905 -17.578 11.337 1.00 0.00 ATOM 509 CD LYS A 63 58.312 -18.620 10.403 1.00 0.00 ATOM 510 CE LYS A 63 59.393 -19.508 9.810 1.00 0.00 ATOM 511 NZ LYS A 63 58.829 -20.524 8.878 1.00 0.00 ATOM 512 O LYS A 63 56.443 -15.165 14.283 1.00 0.00 ATOM 513 C LYS A 63 57.194 -14.775 13.393 1.00 0.00 ATOM 514 N LYS A 64 57.046 -13.600 12.795 1.00 0.00 ATOM 515 CA LYS A 64 56.009 -12.650 13.192 1.00 0.00 ATOM 516 CB LYS A 64 56.061 -11.408 12.299 1.00 0.00 ATOM 517 CG LYS A 64 57.297 -10.548 12.504 1.00 0.00 ATOM 518 CD LYS A 64 57.298 -9.352 11.566 1.00 0.00 ATOM 519 CE LYS A 64 58.513 -8.470 11.799 1.00 0.00 ATOM 520 NZ LYS A 64 58.543 -7.308 10.867 1.00 0.00 ATOM 521 O LYS A 64 53.670 -12.625 13.750 1.00 0.00 ATOM 522 C LYS A 64 54.574 -13.168 13.105 1.00 0.00 ATOM 523 N GLU A 65 54.490 -14.266 12.069 1.00 0.00 ATOM 524 CA GLU A 65 53.138 -14.782 11.889 1.00 0.00 ATOM 525 CB GLU A 65 53.147 -15.993 10.954 1.00 0.00 ATOM 526 CG GLU A 65 53.437 -15.651 9.501 1.00 0.00 ATOM 527 CD GLU A 65 53.531 -16.883 8.621 1.00 0.00 ATOM 528 OE1 GLU A 65 53.439 -18.007 9.160 1.00 0.00 ATOM 529 OE2 GLU A 65 53.696 -16.725 7.394 1.00 0.00 ATOM 530 O GLU A 65 51.324 -15.181 13.422 1.00 0.00 ATOM 531 C GLU A 65 52.542 -15.226 13.225 1.00 0.00 ATOM 532 N LEU A 66 53.402 -15.605 14.154 1.00 0.00 ATOM 533 CA LEU A 66 52.974 -16.065 15.476 1.00 0.00 ATOM 534 CB LEU A 66 54.188 -16.402 16.345 1.00 0.00 ATOM 535 CG LEU A 66 53.890 -16.875 17.769 1.00 0.00 ATOM 536 CD1 LEU A 66 53.083 -18.165 17.750 1.00 0.00 ATOM 537 CD2 LEU A 66 55.182 -17.135 18.530 1.00 0.00 ATOM 538 O LEU A 66 51.038 -15.176 16.539 1.00 0.00 ATOM 539 C LEU A 66 52.179 -14.972 16.149 1.00 0.00 ATOM 540 N MET A 67 52.723 -13.795 16.266 1.00 0.00 ATOM 541 CA MET A 67 52.053 -12.670 16.890 1.00 0.00 ATOM 542 CB MET A 67 53.032 -11.583 17.213 1.00 0.00 ATOM 543 CG MET A 67 54.023 -11.974 18.308 1.00 0.00 ATOM 544 SD MET A 67 53.248 -12.478 19.857 1.00 0.00 ATOM 545 CE MET A 67 53.348 -14.259 19.669 1.00 0.00 ATOM 546 O MET A 67 49.922 -11.625 16.444 1.00 0.00 ATOM 547 C MET A 67 50.933 -12.155 15.979 1.00 0.00 ATOM 548 N GLU A 68 51.112 -12.366 14.676 1.00 0.00 ATOM 549 CA GLU A 68 50.114 -11.915 13.689 1.00 0.00 ATOM 550 CB GLU A 68 50.558 -12.284 12.273 1.00 0.00 ATOM 551 CG GLU A 68 51.845 -11.606 11.829 1.00 0.00 ATOM 552 CD GLU A 68 52.302 -12.064 10.458 1.00 0.00 ATOM 553 OE1 GLU A 68 51.622 -12.928 9.864 1.00 0.00 ATOM 554 OE2 GLU A 68 53.339 -11.560 9.979 1.00 0.00 ATOM 555 O GLU A 68 47.702 -11.838 13.830 1.00 0.00 ATOM 556 C GLU A 68 48.733 -12.531 13.894 1.00 0.00 ATOM 557 N PRO A 69 48.244 -9.815 12.966 1.00 0.00 ATOM 558 CA PRO A 69 47.335 -9.181 12.019 1.00 0.00 ATOM 559 CB PRO A 69 45.964 -9.297 12.688 1.00 0.00 ATOM 560 CG PRO A 69 46.110 -10.433 13.644 1.00 0.00 ATOM 561 CD PRO A 69 47.525 -10.376 14.147 1.00 0.00 ATOM 562 O PRO A 69 48.502 -7.214 12.779 1.00 0.00 ATOM 563 C PRO A 69 47.836 -7.739 11.881 1.00 0.00 ATOM 564 N LEU A 70 47.535 -7.110 10.754 1.00 0.00 ATOM 565 CA LEU A 70 47.953 -5.737 10.511 1.00 0.00 ATOM 566 CB LEU A 70 49.122 -5.698 9.526 1.00 0.00 ATOM 567 CG LEU A 70 49.695 -4.317 9.205 1.00 0.00 ATOM 568 CD1 LEU A 70 51.137 -4.425 8.736 1.00 0.00 ATOM 569 CD2 LEU A 70 48.887 -3.642 8.106 1.00 0.00 ATOM 570 O LEU A 70 46.014 -5.511 9.125 1.00 0.00 ATOM 571 C LEU A 70 46.764 -4.979 9.942 1.00 0.00 ATOM 572 N GLU A 71 46.611 -3.728 10.353 1.00 0.00 ATOM 573 CA GLU A 71 45.505 -2.908 9.887 1.00 0.00 ATOM 574 CB GLU A 71 44.440 -2.755 10.975 1.00 0.00 ATOM 575 CG GLU A 71 43.765 -4.057 11.371 1.00 0.00 ATOM 576 CD GLU A 71 42.718 -3.867 12.451 1.00 0.00 ATOM 577 OE1 GLU A 71 42.531 -2.715 12.900 1.00 0.00 ATOM 578 OE2 GLU A 71 42.085 -4.866 12.849 1.00 0.00 ATOM 579 O GLU A 71 46.924 -0.989 10.177 1.00 0.00 ATOM 580 C GLU A 71 46.051 -1.539 9.500 1.00 0.00 ATOM 581 N ILE A 72 45.551 -1.015 8.385 1.00 0.00 ATOM 582 CA ILE A 72 45.980 0.282 7.891 1.00 0.00 ATOM 583 CB ILE A 72 45.692 0.389 6.355 1.00 0.00 ATOM 584 CG1 ILE A 72 46.142 -0.899 5.633 1.00 0.00 ATOM 585 CG2 ILE A 72 46.405 1.607 5.742 1.00 0.00 ATOM 586 CD1 ILE A 72 47.631 -1.232 5.777 1.00 0.00 ATOM 587 O ILE A 72 44.251 1.834 8.424 1.00 0.00 ATOM 588 C ILE A 72 45.432 1.458 8.651 1.00 0.00 ATOM 589 N LEU A 73 45.751 8.859 14.941 1.00 0.00 ATOM 590 CA LEU A 73 45.200 10.019 15.672 1.00 0.00 ATOM 591 CB LEU A 73 45.136 9.710 17.176 1.00 0.00 ATOM 592 CG LEU A 73 44.203 10.524 18.066 1.00 0.00 ATOM 593 CD1 LEU A 73 44.137 9.897 19.464 1.00 0.00 ATOM 594 CD2 LEU A 73 44.617 11.968 18.212 1.00 0.00 ATOM 595 O LEU A 73 47.054 11.523 15.821 1.00 0.00 ATOM 596 C LEU A 73 46.536 10.476 16.212 1.00 0.00 ATOM 597 N SER A 74 47.108 9.684 17.112 1.00 0.00 ATOM 598 CA SER A 74 48.384 10.033 17.707 1.00 0.00 ATOM 599 CB SER A 74 48.184 10.585 19.120 1.00 0.00 ATOM 600 OG SER A 74 49.425 10.924 19.715 1.00 0.00 ATOM 601 O SER A 74 48.905 7.734 18.144 1.00 0.00 ATOM 602 C SER A 74 49.321 8.847 17.821 1.00 0.00 ATOM 603 N LEU A 75 50.592 9.102 17.536 1.00 0.00 ATOM 604 CA LEU A 75 51.629 8.092 17.647 1.00 0.00 ATOM 605 CB LEU A 75 52.507 8.088 16.393 1.00 0.00 ATOM 606 CG LEU A 75 53.682 7.107 16.390 1.00 0.00 ATOM 607 CD1 LEU A 75 53.184 5.671 16.381 1.00 0.00 ATOM 608 CD2 LEU A 75 54.554 7.317 15.162 1.00 0.00 ATOM 609 O LEU A 75 52.766 9.648 19.057 1.00 0.00 ATOM 610 C LEU A 75 52.432 8.479 18.879 1.00 0.00 ATOM 611 N SER A 76 52.729 7.507 19.728 1.00 0.00 ATOM 612 CA SER A 76 53.533 7.766 20.914 1.00 0.00 ATOM 613 CB SER A 76 52.658 7.739 22.170 1.00 0.00 ATOM 614 OG SER A 76 51.678 8.761 22.129 1.00 0.00 ATOM 615 O SER A 76 54.242 5.483 20.800 1.00 0.00 ATOM 616 C SER A 76 54.554 6.653 21.034 1.00 0.00 ATOM 617 N GLY A 77 55.771 7.009 21.413 1.00 0.00 ATOM 618 CA GLY A 77 56.804 6.006 21.546 1.00 0.00 ATOM 619 O GLY A 77 58.118 7.670 22.650 1.00 0.00 ATOM 620 C GLY A 77 58.077 6.546 22.147 1.00 0.00 ATOM 621 N ASN A 78 59.141 5.762 22.037 1.00 0.00 ATOM 622 CA ASN A 78 60.424 6.144 22.595 1.00 0.00 ATOM 623 CB ASN A 78 60.646 5.449 23.940 1.00 0.00 ATOM 624 CG ASN A 78 59.666 5.909 25.001 1.00 0.00 ATOM 625 ND2 ASN A 78 58.669 5.077 25.283 1.00 0.00 ATOM 626 OD1 ASN A 78 59.805 6.997 25.558 1.00 0.00 ATOM 627 O ASN A 78 61.476 4.842 20.881 1.00 0.00 ATOM 628 C ASN A 78 61.575 5.769 21.684 1.00 0.00 ATOM 629 N VAL A 79 62.671 6.495 21.830 1.00 0.00 ATOM 630 CA VAL A 79 63.872 6.221 21.065 1.00 0.00 ATOM 631 CB VAL A 79 64.418 7.493 20.391 1.00 0.00 ATOM 632 CG1 VAL A 79 65.704 7.186 19.639 1.00 0.00 ATOM 633 CG2 VAL A 79 63.404 8.050 19.403 1.00 0.00 ATOM 634 O VAL A 79 65.112 6.292 23.112 1.00 0.00 ATOM 635 C VAL A 79 64.887 5.687 22.061 1.00 0.00 ATOM 636 N SER A 80 65.486 4.548 21.732 1.00 0.00 ATOM 637 CA SER A 80 66.485 3.928 22.586 1.00 0.00 ATOM 638 CB SER A 80 66.152 2.450 22.801 1.00 0.00 ATOM 639 OG SER A 80 67.165 1.803 23.550 1.00 0.00 ATOM 640 O SER A 80 68.022 3.664 20.768 1.00 0.00 ATOM 641 C SER A 80 67.856 4.045 21.925 1.00 0.00 ATOM 642 N MET A 81 68.893 4.557 22.712 1.00 0.00 ATOM 643 CA MET A 81 70.242 4.702 22.153 1.00 0.00 ATOM 644 CB MET A 81 71.195 5.284 23.199 1.00 0.00 ATOM 645 CG MET A 81 71.409 4.391 24.410 1.00 0.00 ATOM 646 SD MET A 81 72.549 5.106 25.609 1.00 0.00 ATOM 647 CE MET A 81 74.103 4.947 24.737 1.00 0.00 ATOM 648 O MET A 81 70.174 2.310 22.032 1.00 0.00 ATOM 649 C MET A 81 70.765 3.342 21.718 1.00 0.00 ATOM 650 N LYS A 82 71.875 3.323 21.002 1.00 0.00 ATOM 651 CA LYS A 82 72.416 2.067 20.510 1.00 0.00 ATOM 652 CB LYS A 82 73.653 2.352 19.618 1.00 0.00 ATOM 653 CG LYS A 82 74.317 1.050 19.137 1.00 0.00 ATOM 654 CD LYS A 82 75.382 1.294 18.098 1.00 0.00 ATOM 655 CE LYS A 82 76.121 0.034 17.721 1.00 0.00 ATOM 656 NZ LYS A 82 77.085 0.304 16.607 1.00 0.00 ATOM 657 O LYS A 82 72.448 -0.053 21.650 1.00 0.00 ATOM 658 C LYS A 82 72.785 1.134 21.665 1.00 0.00 ATOM 659 N ASP A 83 73.824 1.752 22.445 1.00 0.00 ATOM 660 CA ASP A 83 74.199 0.956 23.614 1.00 0.00 ATOM 661 CB ASP A 83 74.830 1.846 24.686 1.00 0.00 ATOM 662 CG ASP A 83 76.209 2.341 24.295 1.00 0.00 ATOM 663 OD1 ASP A 83 76.758 1.841 23.293 1.00 0.00 ATOM 664 OD2 ASP A 83 76.739 3.232 24.993 1.00 0.00 ATOM 665 O ASP A 83 73.201 -0.781 24.936 1.00 0.00 ATOM 666 C ASP A 83 73.021 0.236 24.268 1.00 0.00 ATOM 667 N SER A 84 71.816 0.735 24.056 1.00 0.00 ATOM 668 CA SER A 84 70.633 0.128 24.644 1.00 0.00 ATOM 669 CB SER A 84 69.566 1.192 24.914 1.00 0.00 ATOM 670 OG SER A 84 70.040 2.171 25.821 1.00 0.00 ATOM 671 O SER A 84 69.002 -0.748 23.122 1.00 0.00 ATOM 672 C SER A 84 70.096 -0.901 23.664 1.00 0.00 ATOM 673 N LYS A 85 70.899 -1.955 23.470 1.00 0.00 ATOM 674 CA LYS A 85 70.525 -3.026 22.546 1.00 0.00 ATOM 675 CB LYS A 85 71.648 -4.061 22.443 1.00 0.00 ATOM 676 CG LYS A 85 72.887 -3.562 21.717 1.00 0.00 ATOM 677 CD LYS A 85 73.962 -4.636 21.658 1.00 0.00 ATOM 678 CE LYS A 85 75.203 -4.135 20.937 1.00 0.00 ATOM 679 NZ LYS A 85 76.276 -5.166 20.898 1.00 0.00 ATOM 680 O LYS A 85 68.558 -4.342 22.111 1.00 0.00 ATOM 681 C LYS A 85 69.259 -3.790 22.962 1.00 0.00 ATOM 682 N PRO A 86 68.939 -3.836 24.342 1.00 0.00 ATOM 683 CA PRO A 86 67.710 -4.547 24.713 1.00 0.00 ATOM 684 CB PRO A 86 67.698 -4.492 26.241 1.00 0.00 ATOM 685 CG PRO A 86 69.130 -4.319 26.622 1.00 0.00 ATOM 686 CD PRO A 86 69.742 -3.456 25.554 1.00 0.00 ATOM 687 O PRO A 86 65.407 -4.494 23.983 1.00 0.00 ATOM 688 C PRO A 86 66.463 -3.869 24.122 1.00 0.00 ATOM 689 N PHE A 87 66.626 -2.609 23.712 1.00 0.00 ATOM 690 CA PHE A 87 65.550 -1.825 23.107 1.00 0.00 ATOM 691 CB PHE A 87 65.572 -0.390 23.636 1.00 0.00 ATOM 692 CG PHE A 87 65.261 -0.278 25.102 1.00 0.00 ATOM 693 CD1 PHE A 87 66.275 -0.099 26.027 1.00 0.00 ATOM 694 CD2 PHE A 87 63.957 -0.353 25.554 1.00 0.00 ATOM 695 CE1 PHE A 87 65.990 0.004 27.375 1.00 0.00 ATOM 696 CE2 PHE A 87 63.671 -0.251 26.904 1.00 0.00 ATOM 697 CZ PHE A 87 64.681 -0.073 27.812 1.00 0.00 ATOM 698 O PHE A 87 64.692 -1.917 20.861 1.00 0.00 ATOM 699 C PHE A 87 65.677 -1.762 21.583 1.00 0.00 ATOM 700 N CYS A 88 66.769 -1.415 20.713 1.00 0.00 ATOM 701 CA CYS A 88 67.714 -0.769 19.811 1.00 0.00 ATOM 702 CB CYS A 88 68.329 -1.792 18.855 1.00 0.00 ATOM 703 SG CYS A 88 69.569 -1.110 17.730 1.00 0.00 ATOM 704 O CYS A 88 66.569 0.036 17.868 1.00 0.00 ATOM 705 C CYS A 88 67.058 0.314 18.960 1.00 0.00 ATOM 706 N HIS A 89 66.437 1.842 18.361 1.00 0.00 ATOM 707 CA HIS A 89 65.895 3.037 17.740 1.00 0.00 ATOM 708 CB HIS A 89 65.807 2.861 16.223 1.00 0.00 ATOM 709 CG HIS A 89 67.135 2.682 15.557 1.00 0.00 ATOM 710 CD2 HIS A 89 67.849 1.570 14.944 1.00 0.00 ATOM 711 ND1 HIS A 89 68.033 3.715 15.398 1.00 0.00 ATOM 712 CE1 HIS A 89 69.128 3.250 14.771 1.00 0.00 ATOM 713 NE2 HIS A 89 69.024 1.964 14.494 1.00 0.00 ATOM 714 O HIS A 89 64.236 3.439 19.418 1.00 0.00 ATOM 715 C HIS A 89 64.501 3.419 18.217 1.00 0.00 ATOM 716 N ILE A 90 63.581 3.697 17.177 1.00 0.00 ATOM 717 CA ILE A 90 62.221 4.099 17.525 1.00 0.00 ATOM 718 CB ILE A 90 61.576 4.949 16.413 1.00 0.00 ATOM 719 CG1 ILE A 90 62.336 6.267 16.243 1.00 0.00 ATOM 720 CG2 ILE A 90 60.130 5.268 16.759 1.00 0.00 ATOM 721 CD1 ILE A 90 61.934 7.047 15.010 1.00 0.00 ATOM 722 O ILE A 90 61.181 2.009 16.927 1.00 0.00 ATOM 723 C ILE A 90 61.234 2.950 17.720 1.00 0.00 ATOM 724 N HIS A 91 60.442 3.054 18.779 1.00 0.00 ATOM 725 CA HIS A 91 59.412 2.069 19.074 1.00 0.00 ATOM 726 CB HIS A 91 59.815 1.300 20.340 1.00 0.00 ATOM 727 CG HIS A 91 61.167 0.632 20.224 1.00 0.00 ATOM 728 CD2 HIS A 91 62.405 1.046 20.489 1.00 0.00 ATOM 729 ND1 HIS A 91 61.229 -0.639 19.659 1.00 0.00 ATOM 730 CE1 HIS A 91 62.521 -0.950 19.640 1.00 0.00 ATOM 731 NE2 HIS A 91 63.271 0.019 20.089 1.00 0.00 ATOM 732 O HIS A 91 58.090 3.635 20.317 1.00 0.00 ATOM 733 C HIS A 91 58.170 2.907 19.325 1.00 0.00 ATOM 734 N VAL A 92 57.208 2.812 18.412 1.00 0.00 ATOM 735 CA VAL A 92 55.998 3.614 18.498 1.00 0.00 ATOM 736 CB VAL A 92 55.999 4.749 17.457 1.00 0.00 ATOM 737 CG1 VAL A 92 57.150 5.709 17.715 1.00 0.00 ATOM 738 CG2 VAL A 92 56.150 4.184 16.052 1.00 0.00 ATOM 739 O VAL A 92 54.636 1.914 17.490 1.00 0.00 ATOM 740 C VAL A 92 54.697 2.861 18.276 1.00 0.00 ATOM 741 N LEU A 93 53.658 3.315 18.964 1.00 0.00 ATOM 742 CA LEU A 93 52.326 2.736 18.846 1.00 0.00 ATOM 743 CB LEU A 93 51.866 2.163 20.188 1.00 0.00 ATOM 744 CG LEU A 93 52.743 1.064 20.792 1.00 0.00 ATOM 745 CD1 LEU A 93 52.244 0.678 22.176 1.00 0.00 ATOM 746 CD2 LEU A 93 52.727 -0.178 19.916 1.00 0.00 ATOM 747 O LEU A 93 51.723 5.037 18.585 1.00 0.00 ATOM 748 C LEU A 93 51.399 3.862 18.408 1.00 0.00 ATOM 749 N LEU A 94 50.253 3.499 17.844 1.00 0.00 ATOM 750 CA LEU A 94 49.285 4.479 17.368 1.00 0.00 ATOM 751 CB LEU A 94 49.184 4.435 15.841 1.00 0.00 ATOM 752 CG LEU A 94 48.159 5.373 15.203 1.00 0.00 ATOM 753 CD1 LEU A 94 48.576 6.826 15.377 1.00 0.00 ATOM 754 CD2 LEU A 94 48.027 5.092 13.714 1.00 0.00 ATOM 755 O LEU A 94 47.392 3.089 17.846 1.00 0.00 ATOM 756 C LEU A 94 47.870 4.229 17.827 1.00 0.00 ATOM 757 N GLY A 95 47.152 5.313 18.198 1.00 0.00 ATOM 758 CA GLY A 95 45.751 5.250 18.550 1.00 0.00 ATOM 759 O GLY A 95 45.391 7.547 17.953 1.00 0.00 ATOM 760 C GLY A 95 45.012 6.378 17.840 1.00 0.00 ATOM 761 N LYS A 96 43.962 6.029 17.102 1.00 0.00 ATOM 762 CA LYS A 96 43.197 7.029 16.374 1.00 0.00 ATOM 763 CB LYS A 96 42.375 6.371 15.263 1.00 0.00 ATOM 764 CG LYS A 96 43.209 5.780 14.140 1.00 0.00 ATOM 765 CD LYS A 96 42.331 5.161 13.065 1.00 0.00 ATOM 766 CE LYS A 96 43.164 4.586 11.933 1.00 0.00 ATOM 767 NZ LYS A 96 42.317 3.963 10.879 1.00 0.00 ATOM 768 O LYS A 96 41.833 7.239 18.342 1.00 0.00 ATOM 769 C LYS A 96 42.239 7.766 17.304 1.00 0.00 ATOM 770 N ASP A 97 41.903 8.998 16.930 1.00 0.00 ATOM 771 CA ASP A 97 41.000 9.837 17.710 1.00 0.00 ATOM 772 CB ASP A 97 40.305 10.817 16.525 1.00 0.00 ATOM 773 CG ASP A 97 40.190 12.301 16.712 1.00 0.00 ATOM 774 OD1 ASP A 97 41.097 13.025 16.243 1.00 0.00 ATOM 775 OD2 ASP A 97 39.242 12.833 17.327 1.00 0.00 ATOM 776 O ASP A 97 39.187 9.297 19.170 1.00 0.00 ATOM 777 C ASP A 97 39.704 9.125 18.070 1.00 0.00 ATOM 778 N GLY A 98 39.203 8.314 17.039 1.00 0.00 ATOM 779 CA GLY A 98 37.964 7.578 17.268 1.00 0.00 ATOM 780 O GLY A 98 37.127 5.834 18.674 1.00 0.00 ATOM 781 C GLY A 98 38.113 6.466 18.302 1.00 0.00 ATOM 782 N GLU A 99 39.340 6.230 18.761 1.00 0.00 ATOM 783 CA GLU A 99 39.608 5.175 19.742 1.00 0.00 ATOM 784 CB GLU A 99 39.008 5.539 21.100 1.00 0.00 ATOM 785 CG GLU A 99 39.582 6.808 21.712 1.00 0.00 ATOM 786 CD GLU A 99 38.953 7.145 23.049 1.00 0.00 ATOM 787 OE1 GLU A 99 38.126 6.346 23.536 1.00 0.00 ATOM 788 OE2 GLU A 99 39.287 8.210 23.611 1.00 0.00 ATOM 789 O GLU A 99 38.271 3.195 19.971 1.00 0.00 ATOM 790 C GLU A 99 38.975 3.882 19.231 1.00 0.00 ATOM 791 N VAL A 100 39.252 3.553 17.905 1.00 0.00 ATOM 792 CA VAL A 100 38.672 2.356 17.306 1.00 0.00 ATOM 793 CB VAL A 100 37.498 2.704 16.373 1.00 0.00 ATOM 794 CG1 VAL A 100 36.378 3.375 17.155 1.00 0.00 ATOM 795 CG2 VAL A 100 37.952 3.652 15.275 1.00 0.00 ATOM 796 O VAL A 100 39.391 0.461 16.011 1.00 0.00 ATOM 797 C VAL A 100 39.683 1.566 16.481 1.00 0.00 ATOM 798 N TYR A 101 40.867 2.137 16.304 1.00 0.00 ATOM 799 CA TYR A 101 41.922 1.509 15.519 1.00 0.00 ATOM 800 CB TYR A 101 41.861 1.993 14.069 1.00 0.00 ATOM 801 CG TYR A 101 40.541 1.714 13.386 1.00 0.00 ATOM 802 CD1 TYR A 101 39.519 2.654 13.401 1.00 0.00 ATOM 803 CD2 TYR A 101 40.320 0.510 12.727 1.00 0.00 ATOM 804 CE1 TYR A 101 38.309 2.408 12.779 1.00 0.00 ATOM 805 CE2 TYR A 101 39.118 0.246 12.100 1.00 0.00 ATOM 806 CZ TYR A 101 38.109 1.208 12.132 1.00 0.00 ATOM 807 OH TYR A 101 36.905 0.960 11.511 1.00 0.00 ATOM 808 O TYR A 101 43.431 3.100 16.517 1.00 0.00 ATOM 809 C TYR A 101 43.246 1.940 16.128 1.00 0.00 ATOM 810 N GLY A 102 44.262 0.999 16.272 1.00 0.00 ATOM 811 CA GLY A 102 45.556 1.309 16.835 1.00 0.00 ATOM 812 O GLY A 102 46.011 -0.995 16.401 1.00 0.00 ATOM 813 C GLY A 102 46.438 0.080 16.821 1.00 0.00 ATOM 814 N GLY A 103 47.675 0.242 17.284 1.00 0.00 ATOM 815 CA GLY A 103 48.602 -0.873 17.323 1.00 0.00 ATOM 816 O GLY A 103 50.407 0.686 17.584 1.00 0.00 ATOM 817 C GLY A 103 50.061 -0.455 17.276 1.00 0.00 ATOM 818 N HIS A 104 50.921 -1.420 16.966 1.00 0.00 ATOM 819 CA HIS A 104 52.360 -1.203 16.856 1.00 0.00 ATOM 820 CB HIS A 104 53.055 -2.515 17.165 1.00 0.00 ATOM 821 CG HIS A 104 52.674 -3.075 18.503 1.00 0.00 ATOM 822 CD2 HIS A 104 53.075 -2.741 19.752 1.00 0.00 ATOM 823 ND1 HIS A 104 51.705 -4.050 18.656 1.00 0.00 ATOM 824 CE1 HIS A 104 51.541 -4.303 19.948 1.00 0.00 ATOM 825 NE2 HIS A 104 52.356 -3.521 20.629 1.00 0.00 ATOM 826 O HIS A 104 52.273 -1.398 14.467 1.00 0.00 ATOM 827 C HIS A 104 52.593 -0.700 15.428 1.00 0.00 ATOM 828 N LEU A 105 53.138 0.506 15.294 1.00 0.00 ATOM 829 CA LEU A 105 53.371 1.103 13.979 1.00 0.00 ATOM 830 CB LEU A 105 53.750 2.578 14.118 1.00 0.00 ATOM 831 CG LEU A 105 53.964 3.351 12.816 1.00 0.00 ATOM 832 CD1 LEU A 105 52.666 3.450 12.029 1.00 0.00 ATOM 833 CD2 LEU A 105 54.458 4.761 13.099 1.00 0.00 ATOM 834 O LEU A 105 55.635 0.366 13.630 1.00 0.00 ATOM 835 C LEU A 105 54.496 0.461 13.168 1.00 0.00 ATOM 836 N PHE A 106 54.157 0.018 11.960 1.00 0.00 ATOM 837 CA PHE A 106 55.116 -0.601 11.048 1.00 0.00 ATOM 838 CB PHE A 106 54.495 -1.828 10.376 1.00 0.00 ATOM 839 CG PHE A 106 54.193 -2.951 11.325 1.00 0.00 ATOM 840 CD1 PHE A 106 54.756 -2.979 12.589 1.00 0.00 ATOM 841 CD2 PHE A 106 53.347 -3.981 10.953 1.00 0.00 ATOM 842 CE1 PHE A 106 54.479 -4.014 13.462 1.00 0.00 ATOM 843 CE2 PHE A 106 53.069 -5.016 11.827 1.00 0.00 ATOM 844 CZ PHE A 106 53.632 -5.035 13.075 1.00 0.00 ATOM 845 O PHE A 106 56.629 0.360 9.455 1.00 0.00 ATOM 846 C PHE A 106 55.518 0.404 9.979 1.00 0.00 ATOM 847 N SER A 107 54.603 1.309 9.660 1.00 0.00 ATOM 848 CA SER A 107 54.859 2.324 8.647 1.00 0.00 ATOM 849 CB SER A 107 54.852 1.702 7.251 1.00 0.00 ATOM 850 OG SER A 107 53.556 1.246 6.901 1.00 0.00 ATOM 851 O SER A 107 52.673 3.139 9.223 1.00 0.00 ATOM 852 C SER A 107 53.774 3.394 8.721 1.00 0.00 ATOM 853 N ALA A 108 54.090 4.590 8.234 1.00 0.00 ATOM 854 CA ALA A 108 53.130 5.685 8.238 1.00 0.00 ATOM 855 CB ALA A 108 52.915 6.195 9.654 1.00 0.00 ATOM 856 O ALA A 108 54.779 6.988 7.059 1.00 0.00 ATOM 857 C ALA A 108 53.598 6.866 7.398 1.00 0.00 ATOM 858 N GLU A 109 52.650 7.729 7.056 1.00 0.00 ATOM 859 CA GLU A 109 52.934 8.927 6.283 1.00 0.00 ATOM 860 CB GLU A 109 52.514 8.730 4.825 1.00 0.00 ATOM 861 CG GLU A 109 52.782 9.932 3.934 1.00 0.00 ATOM 862 CD GLU A 109 52.480 9.654 2.475 1.00 0.00 ATOM 863 OE1 GLU A 109 52.141 8.497 2.148 1.00 0.00 ATOM 864 OE2 GLU A 109 52.583 10.595 1.658 1.00 0.00 ATOM 865 O GLU A 109 50.914 9.990 7.018 1.00 0.00 ATOM 866 C GLU A 109 52.141 10.058 6.923 1.00 0.00 ATOM 867 N VAL A 110 52.838 11.103 7.358 1.00 0.00 ATOM 868 CA VAL A 110 52.173 12.232 7.994 1.00 0.00 ATOM 869 CB VAL A 110 53.050 12.826 9.161 1.00 0.00 ATOM 870 CG1 VAL A 110 52.376 14.041 9.806 1.00 0.00 ATOM 871 CG2 VAL A 110 53.324 11.779 10.222 1.00 0.00 ATOM 872 O VAL A 110 52.484 13.965 6.317 1.00 0.00 ATOM 873 C VAL A 110 51.709 13.376 7.091 1.00 0.00 ATOM 874 N PHE A 111 50.422 13.675 7.200 1.00 0.00 ATOM 875 CA PHE A 111 49.782 14.743 6.446 1.00 0.00 ATOM 876 CB PHE A 111 48.268 14.524 6.402 1.00 0.00 ATOM 877 CG PHE A 111 47.548 15.456 5.469 1.00 0.00 ATOM 878 CD1 PHE A 111 47.575 15.247 4.101 1.00 0.00 ATOM 879 CD2 PHE A 111 46.844 16.543 5.959 1.00 0.00 ATOM 880 CE1 PHE A 111 46.913 16.103 3.243 1.00 0.00 ATOM 881 CE2 PHE A 111 46.182 17.399 5.101 1.00 0.00 ATOM 882 CZ PHE A 111 46.214 17.183 3.748 1.00 0.00 ATOM 883 O PHE A 111 50.785 16.922 6.486 1.00 0.00 ATOM 884 C PHE A 111 50.115 16.082 7.081 1.00 0.00 ATOM 885 N ALA A 112 49.646 16.258 8.310 1.00 0.00 ATOM 886 CA ALA A 112 49.896 17.476 9.067 1.00 0.00 ATOM 887 CB ALA A 112 48.810 18.512 8.820 1.00 0.00 ATOM 888 O ALA A 112 48.896 16.648 11.084 1.00 0.00 ATOM 889 C ALA A 112 49.918 17.069 10.536 1.00 0.00 ATOM 890 N CYS A 113 51.083 17.182 11.163 1.00 0.00 ATOM 891 CA CYS A 113 51.227 16.801 12.563 1.00 0.00 ATOM 892 CB CYS A 113 51.779 15.379 12.678 1.00 0.00 ATOM 893 SG CYS A 113 53.455 15.173 12.031 1.00 0.00 ATOM 894 O CYS A 113 52.929 18.486 12.750 1.00 0.00 ATOM 895 C CYS A 113 52.202 17.680 13.330 1.00 0.00 ATOM 896 N GLU A 114 52.196 17.510 14.648 1.00 0.00 ATOM 897 CA GLU A 114 53.097 18.230 15.537 1.00 0.00 ATOM 898 CB GLU A 114 52.284 19.036 16.552 1.00 0.00 ATOM 899 CG GLU A 114 53.129 19.846 17.522 1.00 0.00 ATOM 900 CD GLU A 114 52.290 20.658 18.487 1.00 0.00 ATOM 901 OE1 GLU A 114 51.047 20.543 18.438 1.00 0.00 ATOM 902 OE2 GLU A 114 52.875 21.412 19.293 1.00 0.00 ATOM 903 O GLU A 114 53.340 16.252 16.887 1.00 0.00 ATOM 904 C GLU A 114 53.908 17.183 16.298 1.00 0.00 ATOM 905 N VAL A 115 55.186 17.347 16.277 1.00 0.00 ATOM 906 CA VAL A 115 56.109 16.443 16.956 1.00 0.00 ATOM 907 CB VAL A 115 57.307 16.104 16.051 1.00 0.00 ATOM 908 CG1 VAL A 115 58.253 15.143 16.755 1.00 0.00 ATOM 909 CG2 VAL A 115 56.832 15.452 14.762 1.00 0.00 ATOM 910 O VAL A 115 57.202 18.099 18.313 1.00 0.00 ATOM 911 C VAL A 115 56.671 16.986 18.266 1.00 0.00 ATOM 912 N PHE A 116 56.545 16.190 19.323 1.00 0.00 ATOM 913 CA PHE A 116 57.064 16.558 20.636 1.00 0.00 ATOM 914 CB PHE A 116 56.003 16.412 21.716 1.00 0.00 ATOM 915 CG PHE A 116 54.749 17.199 21.493 1.00 0.00 ATOM 916 CD1 PHE A 116 53.584 16.580 21.024 1.00 0.00 ATOM 917 CD2 PHE A 116 54.711 18.559 21.793 1.00 0.00 ATOM 918 CE1 PHE A 116 52.385 17.282 20.897 1.00 0.00 ATOM 919 CE2 PHE A 116 53.516 19.269 21.639 1.00 0.00 ATOM 920 CZ PHE A 116 52.356 18.645 21.226 1.00 0.00 ATOM 921 O PHE A 116 57.939 14.335 20.876 1.00 0.00 ATOM 922 C PHE A 116 58.131 15.544 21.026 1.00 0.00 ATOM 923 N VAL A 117 59.259 16.039 21.519 1.00 0.00 ATOM 924 CA VAL A 117 60.356 15.169 21.924 1.00 0.00 ATOM 925 CB VAL A 117 61.599 15.368 21.037 1.00 0.00 ATOM 926 CG1 VAL A 117 61.290 14.991 19.596 1.00 0.00 ATOM 927 CG2 VAL A 117 62.049 16.821 21.066 1.00 0.00 ATOM 928 O VAL A 117 61.067 16.623 23.672 1.00 0.00 ATOM 929 C VAL A 117 60.909 15.472 23.287 1.00 0.00 ATOM 930 N LEU A 118 61.270 14.361 24.040 1.00 0.00 ATOM 931 CA LEU A 118 61.783 14.476 25.387 1.00 0.00 ATOM 932 CB LEU A 118 60.705 13.990 26.357 1.00 0.00 ATOM 933 CG LEU A 118 61.066 14.017 27.842 1.00 0.00 ATOM 934 CD1 LEU A 118 61.316 15.443 28.310 1.00 0.00 ATOM 935 CD2 LEU A 118 59.941 13.432 28.683 1.00 0.00 ATOM 936 O LEU A 118 63.009 12.422 25.240 1.00 0.00 ATOM 937 C LEU A 118 63.036 13.619 25.527 1.00 0.00 ATOM 938 N PRO A 119 64.133 14.237 25.956 1.00 0.00 ATOM 939 CA PRO A 119 65.391 13.526 26.128 1.00 0.00 ATOM 940 CB PRO A 119 66.455 14.558 25.747 1.00 0.00 ATOM 941 CG PRO A 119 65.849 15.872 26.112 1.00 0.00 ATOM 942 CD PRO A 119 64.367 15.713 25.926 1.00 0.00 ATOM 943 O PRO A 119 65.228 13.838 28.500 1.00 0.00 ATOM 944 C PRO A 119 65.504 13.070 27.582 1.00 0.00 ATOM 945 N LEU A 120 65.912 11.820 27.784 1.00 0.00 ATOM 946 CA LEU A 120 66.025 11.257 29.127 1.00 0.00 ATOM 947 CB LEU A 120 65.552 9.802 29.149 1.00 0.00 ATOM 948 CG LEU A 120 65.588 9.097 30.506 1.00 0.00 ATOM 949 CD1 LEU A 120 64.578 9.716 31.459 1.00 0.00 ATOM 950 CD2 LEU A 120 65.255 7.621 30.354 1.00 0.00 ATOM 951 O LEU A 120 68.403 10.928 29.005 1.00 0.00 ATOM 952 C LEU A 120 67.438 11.248 29.696 1.00 0.00 ATOM 953 N SER A 121 67.537 11.599 30.971 1.00 0.00 ATOM 954 CA SER A 121 68.807 11.633 31.682 1.00 0.00 ATOM 955 CB SER A 121 68.870 12.848 32.608 1.00 0.00 ATOM 956 OG SER A 121 67.879 12.770 33.620 1.00 0.00 ATOM 957 O SER A 121 70.024 9.887 32.802 1.00 0.00 ATOM 958 C SER A 121 68.924 10.353 32.505 1.00 0.00 ATOM 959 N GLY A 122 67.770 9.789 32.862 1.00 0.00 ATOM 960 CA GLY A 122 67.742 8.566 33.656 1.00 0.00 ATOM 961 O GLY A 122 65.344 8.537 33.514 1.00 0.00 ATOM 962 C GLY A 122 66.392 7.878 33.521 1.00 0.00 ATOM 963 N GLU A 123 66.447 6.553 33.439 1.00 0.00 ATOM 964 CA GLU A 123 65.213 5.764 33.339 1.00 0.00 ATOM 965 CB GLU A 123 65.539 4.277 33.182 1.00 0.00 ATOM 966 CG GLU A 123 64.318 3.388 33.020 1.00 0.00 ATOM 967 CD GLU A 123 64.682 1.931 32.810 1.00 0.00 ATOM 968 OE1 GLU A 123 65.891 1.620 32.773 1.00 0.00 ATOM 969 OE2 GLU A 123 63.758 1.100 32.684 1.00 0.00 ATOM 970 O GLU A 123 63.084 6.042 34.386 1.00 0.00 ATOM 971 C GLU A 123 64.297 5.908 34.548 1.00 0.00 ATOM 972 N ALA A 124 64.844 5.859 35.750 1.00 0.00 ATOM 973 CA ALA A 124 64.046 6.001 36.967 1.00 0.00 ATOM 974 CB ALA A 124 64.908 5.774 38.199 1.00 0.00 ATOM 975 O ALA A 124 62.266 7.586 37.319 1.00 0.00 ATOM 976 C ALA A 124 63.469 7.419 37.048 1.00 0.00 ATOM 977 N PRO A 125 64.276 8.476 36.835 1.00 0.00 ATOM 978 CA PRO A 125 63.717 9.828 36.770 1.00 0.00 ATOM 979 CB PRO A 125 64.921 10.690 36.439 1.00 0.00 ATOM 980 CG PRO A 125 66.050 9.916 37.129 1.00 0.00 ATOM 981 CD PRO A 125 65.749 8.471 36.679 1.00 0.00 ATOM 982 O PRO A 125 61.569 10.514 35.922 1.00 0.00 ATOM 983 C PRO A 125 62.625 9.914 35.709 1.00 0.00 ATOM 984 N GLU A 126 62.868 9.153 34.559 1.00 0.00 ATOM 985 CA GLU A 126 61.891 9.054 33.475 1.00 0.00 ATOM 986 CB GLU A 126 62.391 8.048 32.429 1.00 0.00 ATOM 987 CG GLU A 126 61.435 7.795 31.265 1.00 0.00 ATOM 988 CD GLU A 126 61.095 9.047 30.475 1.00 0.00 ATOM 989 OE1 GLU A 126 61.971 9.925 30.320 1.00 0.00 ATOM 990 OE2 GLU A 126 59.949 9.146 29.991 1.00 0.00 ATOM 991 O GLU A 126 59.504 9.061 33.554 1.00 0.00 ATOM 992 C GLU A 126 60.541 8.505 33.910 1.00 0.00 ATOM 993 N ARG A 127 60.534 7.415 34.691 1.00 0.00 ATOM 994 CA ARG A 127 59.284 6.826 35.163 1.00 0.00 ATOM 995 CB ARG A 127 59.558 5.617 36.060 1.00 0.00 ATOM 996 CG ARG A 127 58.305 4.897 36.530 1.00 0.00 ATOM 997 CD ARG A 127 58.642 3.791 37.517 1.00 0.00 ATOM 998 NE ARG A 127 59.179 4.318 38.768 1.00 0.00 ATOM 999 CZ ARG A 127 58.438 4.856 39.732 1.00 0.00 ATOM 1000 NH1 ARG A 127 59.015 5.311 40.836 1.00 0.00 ATOM 1001 NH2 ARG A 127 57.123 4.939 39.588 1.00 0.00 ATOM 1002 O ARG A 127 57.293 8.026 35.785 1.00 0.00 ATOM 1003 C ARG A 127 58.502 7.855 35.970 1.00 0.00 ATOM 1004 N ALA A 128 59.219 8.529 36.875 1.00 0.00 ATOM 1005 CA ALA A 128 58.602 9.532 37.741 1.00 0.00 ATOM 1006 CB ALA A 128 59.630 10.105 38.706 1.00 0.00 ATOM 1007 O ALA A 128 57.225 11.485 37.480 1.00 0.00 ATOM 1008 C ALA A 128 58.007 10.693 36.946 1.00 0.00 ATOM 1009 N PHE A 129 58.376 10.813 35.678 1.00 0.00 ATOM 1010 CA PHE A 129 57.841 11.884 34.844 1.00 0.00 ATOM 1011 CB PHE A 129 58.976 12.628 34.138 1.00 0.00 ATOM 1012 CG PHE A 129 59.916 13.331 35.076 1.00 0.00 ATOM 1013 CD1 PHE A 129 59.494 13.730 36.331 1.00 0.00 ATOM 1014 CD2 PHE A 129 61.222 13.592 34.701 1.00 0.00 ATOM 1015 CE1 PHE A 129 60.359 14.376 37.195 1.00 0.00 ATOM 1016 CE2 PHE A 129 62.088 14.239 35.563 1.00 0.00 ATOM 1017 CZ PHE A 129 61.661 14.630 36.806 1.00 0.00 ATOM 1018 O PHE A 129 56.492 12.146 32.883 1.00 0.00 ATOM 1019 C PHE A 129 56.890 11.381 33.766 1.00 0.00 ATOM 1020 N ASP A 130 56.517 10.104 33.832 1.00 0.00 ATOM 1021 CA ASP A 130 55.606 9.558 32.823 1.00 0.00 ATOM 1022 CB ASP A 130 55.390 8.061 33.051 1.00 0.00 ATOM 1023 CG ASP A 130 56.603 7.233 32.673 1.00 0.00 ATOM 1024 OD1 ASP A 130 57.516 7.781 32.020 1.00 0.00 ATOM 1025 OD2 ASP A 130 56.642 6.037 33.031 1.00 0.00 ATOM 1026 O ASP A 130 53.655 10.517 31.815 1.00 0.00 ATOM 1027 C ASP A 130 54.239 10.233 32.863 1.00 0.00 ATOM 1028 N GLU A 131 53.716 10.496 34.056 1.00 0.00 ATOM 1029 CA GLU A 131 52.412 11.150 34.150 1.00 0.00 ATOM 1030 CB GLU A 131 51.877 11.074 35.582 1.00 0.00 ATOM 1031 CG GLU A 131 51.464 9.678 36.017 1.00 0.00 ATOM 1032 CD GLU A 131 51.027 9.625 37.467 1.00 0.00 ATOM 1033 OE1 GLU A 131 51.107 10.669 38.150 1.00 0.00 ATOM 1034 OE2 GLU A 131 50.605 8.542 37.922 1.00 0.00 ATOM 1035 O GLU A 131 51.577 13.193 33.211 1.00 0.00 ATOM 1036 C GLU A 131 52.526 12.614 33.737 1.00 0.00 ATOM 1037 N GLN A 132 53.676 13.218 33.970 1.00 0.00 ATOM 1038 CA GLN A 132 53.905 14.606 33.575 1.00 0.00 ATOM 1039 CB GLN A 132 55.239 15.100 34.031 1.00 0.00 ATOM 1040 CG GLN A 132 55.264 15.240 35.532 1.00 0.00 ATOM 1041 CD GLN A 132 56.632 15.583 36.084 1.00 0.00 ATOM 1042 OE1 GLN A 132 57.480 16.104 35.370 1.00 0.00 ATOM 1043 NE2 GLN A 132 56.838 15.299 37.360 1.00 0.00 ATOM 1044 O GLN A 132 53.195 15.650 31.556 1.00 0.00 ATOM 1045 C GLN A 132 53.792 14.699 32.064 1.00 0.00 ATOM 1046 N THR A 133 54.413 13.673 31.338 1.00 0.00 ATOM 1047 CA THR A 133 54.309 13.733 29.894 1.00 0.00 ATOM 1048 CB THR A 133 55.710 13.803 29.217 1.00 0.00 ATOM 1049 CG2 THR A 133 56.545 14.931 29.810 1.00 0.00 ATOM 1050 OG1 THR A 133 56.420 12.574 29.415 1.00 0.00 ATOM 1051 O THR A 133 53.349 11.567 30.430 1.00 0.00 ATOM 1052 C THR A 133 53.775 12.321 29.536 1.00 0.00 ATOM 1053 N GLY A 134 53.772 11.955 28.263 1.00 0.00 ATOM 1054 CA GLY A 134 53.280 10.637 27.832 1.00 0.00 ATOM 1055 O GLY A 134 51.430 11.947 27.052 1.00 0.00 ATOM 1056 C GLY A 134 51.874 10.820 27.291 1.00 0.00 ATOM 1057 N LEU A 135 51.041 9.701 27.091 1.00 0.00 ATOM 1058 CA LEU A 135 49.652 9.730 26.610 1.00 0.00 ATOM 1059 CB LEU A 135 49.628 9.563 25.089 1.00 0.00 ATOM 1060 CG LEU A 135 48.246 9.513 24.435 1.00 0.00 ATOM 1061 CD1 LEU A 135 47.550 10.861 24.543 1.00 0.00 ATOM 1062 CD2 LEU A 135 48.362 9.154 22.961 1.00 0.00 ATOM 1063 O LEU A 135 49.401 7.454 27.300 1.00 0.00 ATOM 1064 C LEU A 135 48.882 8.588 27.256 1.00 0.00 ATOM 1065 N PHE A 136 47.662 8.916 27.683 1.00 0.00 ATOM 1066 CA PHE A 136 46.797 7.930 28.306 1.00 0.00 ATOM 1067 CB PHE A 136 45.568 8.590 28.896 1.00 0.00 ATOM 1068 CG PHE A 136 44.692 7.618 29.638 1.00 0.00 ATOM 1069 CD1 PHE A 136 44.970 7.295 30.969 1.00 0.00 ATOM 1070 CD2 PHE A 136 43.596 7.024 29.029 1.00 0.00 ATOM 1071 CE1 PHE A 136 44.198 6.415 31.648 1.00 0.00 ATOM 1072 CE2 PHE A 136 42.755 6.115 29.700 1.00 0.00 ATOM 1073 CZ PHE A 136 43.090 5.837 31.033 1.00 0.00 ATOM 1074 O PHE A 136 46.366 5.678 27.631 1.00 0.00 ATOM 1075 C PHE A 136 46.397 6.859 27.302 1.00 0.00 ATOM 1076 N LEU A 137 46.091 7.275 26.079 1.00 0.00 ATOM 1077 CA LEU A 137 45.698 6.327 25.040 1.00 0.00 ATOM 1078 CB LEU A 137 45.285 7.070 23.767 1.00 0.00 ATOM 1079 CG LEU A 137 44.866 6.186 22.585 1.00 0.00 ATOM 1080 CD1 LEU A 137 43.732 5.257 22.998 1.00 0.00 ATOM 1081 CD2 LEU A 137 44.435 7.057 21.419 1.00 0.00 ATOM 1082 O LEU A 137 46.600 4.141 24.630 1.00 0.00 ATOM 1083 C LEU A 137 46.832 5.346 24.735 1.00 0.00 ATOM 1084 N TRP A 138 48.055 5.857 24.604 1.00 0.00 ATOM 1085 CA TRP A 138 49.206 5.003 24.322 1.00 0.00 ATOM 1086 CB TRP A 138 50.449 5.903 24.176 1.00 0.00 ATOM 1087 CG TRP A 138 51.749 5.183 24.046 1.00 0.00 ATOM 1088 CD1 TRP A 138 52.215 4.476 22.946 1.00 0.00 ATOM 1089 CD2 TRP A 138 52.805 5.117 25.017 1.00 0.00 ATOM 1090 CE2 TRP A 138 53.863 4.366 24.450 1.00 0.00 ATOM 1091 CE3 TRP A 138 52.978 5.636 26.317 1.00 0.00 ATOM 1092 NE1 TRP A 138 53.468 3.981 23.191 1.00 0.00 ATOM 1093 CZ2 TRP A 138 55.056 4.122 25.115 1.00 0.00 ATOM 1094 CZ3 TRP A 138 54.166 5.390 26.966 1.00 0.00 ATOM 1095 CH2 TRP A 138 55.184 4.639 26.374 1.00 0.00 ATOM 1096 O TRP A 138 49.615 2.807 25.207 1.00 0.00 ATOM 1097 C TRP A 138 49.418 3.998 25.450 1.00 0.00 ATOM 1098 N LEU A 139 49.387 4.485 26.685 1.00 0.00 ATOM 1099 CA LEU A 139 49.573 3.621 27.841 1.00 0.00 ATOM 1100 CB LEU A 139 49.585 4.456 29.124 1.00 0.00 ATOM 1101 CG LEU A 139 50.787 5.388 29.322 1.00 0.00 ATOM 1102 CD1 LEU A 139 50.595 6.220 30.587 1.00 0.00 ATOM 1103 CD2 LEU A 139 52.052 4.559 29.417 1.00 0.00 ATOM 1104 O LEU A 139 48.735 1.384 28.106 1.00 0.00 ATOM 1105 C LEU A 139 48.470 2.568 27.901 1.00 0.00 ATOM 1106 N GLU A 140 47.233 3.000 27.727 1.00 0.00 ATOM 1107 CA GLU A 140 46.095 2.092 27.782 1.00 0.00 ATOM 1108 CB GLU A 140 44.790 2.867 27.585 1.00 0.00 ATOM 1109 CG GLU A 140 43.539 2.009 27.678 1.00 0.00 ATOM 1110 CD GLU A 140 42.266 2.819 27.536 1.00 0.00 ATOM 1111 OE1 GLU A 140 42.362 4.054 27.376 1.00 0.00 ATOM 1112 OE2 GLU A 140 41.171 2.219 27.586 1.00 0.00 ATOM 1113 O GLU A 140 45.833 -0.146 26.973 1.00 0.00 ATOM 1114 C GLU A 140 46.174 1.038 26.714 1.00 0.00 ATOM 1115 N HIS A 141 46.601 1.375 25.510 1.00 0.00 ATOM 1116 CA HIS A 141 46.875 0.357 24.468 1.00 0.00 ATOM 1117 CB HIS A 141 47.383 1.022 23.188 1.00 0.00 ATOM 1118 CG HIS A 141 46.332 1.787 22.446 1.00 0.00 ATOM 1119 CD2 HIS A 141 46.121 3.183 22.090 1.00 0.00 ATOM 1120 ND1 HIS A 141 45.221 1.185 21.896 1.00 0.00 ATOM 1121 CE1 HIS A 141 44.466 2.123 21.298 1.00 0.00 ATOM 1122 NE2 HIS A 141 45.000 3.324 21.411 1.00 0.00 ATOM 1123 O HIS A 141 47.801 -1.842 24.796 1.00 0.00 ATOM 1124 C HIS A 141 47.928 -0.625 24.966 1.00 0.00 ATOM 1125 N HIS A 142 49.060 -0.124 25.606 1.00 0.00 ATOM 1126 CA HIS A 142 50.054 -0.992 26.194 1.00 0.00 ATOM 1127 CB HIS A 142 51.149 -0.170 26.874 1.00 0.00 ATOM 1128 CG HIS A 142 52.191 -0.997 27.559 1.00 0.00 ATOM 1129 CD2 HIS A 142 52.518 -1.323 28.939 1.00 0.00 ATOM 1130 ND1 HIS A 142 53.160 -1.694 26.868 1.00 0.00 ATOM 1131 CE1 HIS A 142 53.946 -2.339 27.748 1.00 0.00 ATOM 1132 NE2 HIS A 142 53.566 -2.121 28.992 1.00 0.00 ATOM 1133 O HIS A 142 49.736 -3.130 27.280 1.00 0.00 ATOM 1134 C HIS A 142 49.460 -1.940 27.262 1.00 0.00 ATOM 1135 N HIS A 143 48.620 -1.441 28.166 1.00 0.00 ATOM 1136 CA HIS A 143 48.015 -2.280 29.209 1.00 0.00 ATOM 1137 CB HIS A 143 47.179 -1.426 30.165 1.00 0.00 ATOM 1138 CG HIS A 143 46.528 -2.209 31.262 1.00 0.00 ATOM 1139 CD2 HIS A 143 45.168 -2.625 31.574 1.00 0.00 ATOM 1140 ND1 HIS A 143 47.237 -2.743 32.316 1.00 0.00 ATOM 1141 CE1 HIS A 143 46.384 -3.388 33.134 1.00 0.00 ATOM 1142 NE2 HIS A 143 45.143 -3.321 32.696 1.00 0.00 ATOM 1143 O HIS A 143 47.104 -4.497 29.016 1.00 0.00 ATOM 1144 C HIS A 143 47.109 -3.332 28.595 1.00 0.00 ATOM 1145 N HIS A 144 46.339 -2.966 27.494 1.00 0.00 ATOM 1146 CA HIS A 144 45.490 -3.920 26.785 1.00 0.00 ATOM 1147 CB HIS A 144 44.703 -3.216 25.677 1.00 0.00 ATOM 1148 CG HIS A 144 43.782 -4.122 24.923 1.00 0.00 ATOM 1149 CD2 HIS A 144 43.739 -4.673 23.575 1.00 0.00 ATOM 1150 ND1 HIS A 144 42.644 -4.662 25.483 1.00 0.00 ATOM 1151 CE1 HIS A 144 42.026 -5.428 24.566 1.00 0.00 ATOM 1152 NE2 HIS A 144 42.677 -5.439 23.419 1.00 0.00 ATOM 1153 O HIS A 144 45.949 -6.206 26.171 1.00 0.00 ATOM 1154 C HIS A 144 46.325 -5.029 26.145 1.00 0.00 ATOM 1155 N HIS A 145 47.453 -4.645 25.549 1.00 0.00 ATOM 1156 CA HIS A 145 48.342 -5.601 24.892 1.00 0.00 ATOM 1157 CB HIS A 145 49.428 -4.868 24.102 1.00 0.00 ATOM 1158 CG HIS A 145 48.917 -4.165 22.883 1.00 0.00 ATOM 1159 CD2 HIS A 145 47.691 -4.204 22.099 1.00 0.00 ATOM 1160 ND1 HIS A 145 49.653 -3.216 22.208 1.00 0.00 ATOM 1161 CE1 HIS A 145 48.936 -2.766 21.163 1.00 0.00 ATOM 1162 NE2 HIS A 145 47.756 -3.354 21.091 1.00 0.00 ATOM 1163 O HIS A 145 49.280 -7.687 25.550 1.00 0.00 ATOM 1164 C HIS A 145 49.053 -6.531 25.878 1.00 0.00 ATOM 1165 N HIS A 146 49.414 -6.138 27.023 1.00 0.00 ATOM 1166 CA HIS A 146 49.968 -6.821 28.194 1.00 0.00 ATOM 1167 CB HIS A 146 51.441 -6.420 28.383 1.00 0.00 ATOM 1168 CG HIS A 146 52.293 -6.890 27.250 1.00 0.00 ATOM 1169 CD2 HIS A 146 53.000 -6.218 26.314 1.00 0.00 ATOM 1170 ND1 HIS A 146 52.373 -8.223 26.908 1.00 0.00 ATOM 1171 CE1 HIS A 146 53.139 -8.354 25.840 1.00 0.00 ATOM 1172 NE2 HIS A 146 53.538 -7.153 25.462 1.00 0.00 ATOM 1173 O HIS A 146 48.799 -5.342 29.687 1.00 0.00 ATOM 1174 C HIS A 146 49.177 -6.505 29.449 1.00 0.00 ENDMDL EXPDTA 2h6lA MODEL 2 REMARK 44 REMARK 44 model 2 is called 2h6lA ATOM 1 N MET 1 62.407 -5.292 38.246 1.00 0.00 ATOM 2 CA MET 1 62.087 -4.067 37.461 1.00 0.00 ATOM 3 CB MET 1 61.142 -3.171 38.262 1.00 0.00 ATOM 4 CG MET 1 60.855 -1.838 37.612 1.00 0.00 ATOM 5 SD MET 1 59.588 -0.793 38.629 1.00 0.00 ATOM 6 CE MET 1 60.640 -0.543 40.230 1.00 0.00 ATOM 7 O MET 1 64.239 -3.122 37.952 1.00 0.00 ATOM 8 C MET 1 63.357 -3.296 37.112 1.00 0.00 ATOM 9 N LYS 2 63.448 -2.843 35.866 1.00 0.00 ATOM 10 CA LYS 2 64.608 -2.083 35.416 1.00 0.00 ATOM 11 CB LYS 2 64.971 -2.455 33.977 1.00 0.00 ATOM 12 CG LYS 2 64.931 -3.941 33.679 1.00 0.00 ATOM 13 CD LYS 2 65.885 -4.715 34.563 1.00 0.00 ATOM 14 CE LYS 2 65.973 -6.168 34.116 1.00 0.00 ATOM 15 NZ LYS 2 66.461 -6.281 32.712 1.00 0.00 ATOM 16 O LYS 2 63.254 -0.152 34.977 1.00 0.00 ATOM 17 C LYS 2 64.283 -0.590 35.478 1.00 0.00 ATOM 18 N VAL 3 65.175 0.180 36.088 1.00 0.00 ATOM 19 CA VAL 3 64.984 1.615 36.228 1.00 0.00 ATOM 20 CB VAL 3 64.984 2.030 37.717 1.00 0.00 ATOM 21 CG1 VAL 3 64.762 3.530 37.834 1.00 0.00 ATOM 22 CG2 VAL 3 63.906 1.262 38.482 1.00 0.00 ATOM 23 O VAL 3 67.272 2.115 35.762 1.00 0.00 ATOM 24 C VAL 3 66.098 2.383 35.534 1.00 0.00 ATOM 25 N PHE 4 65.726 3.334 34.685 1.00 0.00 ATOM 26 CA PHE 4 66.712 4.165 33.995 1.00 0.00 ATOM 27 CB PHE 4 66.613 3.981 32.482 1.00 0.00 ATOM 28 CG PHE 4 66.788 2.557 32.042 1.00 0.00 ATOM 29 CD1 PHE 4 65.716 1.679 32.043 1.00 0.00 ATOM 30 CD2 PHE 4 68.040 2.081 31.671 1.00 0.00 ATOM 31 CE1 PHE 4 65.888 0.340 31.687 1.00 0.00 ATOM 32 CE2 PHE 4 68.223 0.747 31.315 1.00 0.00 ATOM 33 CZ PHE 4 67.147 -0.123 31.321 1.00 0.00 ATOM 34 O PHE 4 65.337 6.126 34.108 1.00 0.00 ATOM 35 C PHE 4 66.419 5.608 34.376 1.00 0.00 ATOM 36 N GLU 5 67.389 6.248 35.013 1.00 0.00 ATOM 37 CA GLU 5 67.227 7.617 35.474 1.00 0.00 ATOM 38 CB GLU 5 67.858 7.767 36.860 1.00 0.00 ATOM 39 CG GLU 5 67.563 9.088 37.558 1.00 0.00 ATOM 40 CD GLU 5 68.117 9.128 38.973 1.00 0.00 ATOM 41 OE1 GLU 5 68.140 8.063 39.622 1.00 0.00 ATOM 42 OE2 GLU 5 68.515 10.218 39.435 1.00 0.00 ATOM 43 O GLU 5 68.894 8.400 33.940 1.00 0.00 ATOM 44 C GLU 5 67.829 8.634 34.520 1.00 0.00 ATOM 45 N PHE 6 67.137 9.764 34.370 1.00 0.00 ATOM 46 CA PHE 6 67.584 10.836 33.487 1.00 0.00 ATOM 47 CB PHE 6 66.923 10.721 32.112 1.00 0.00 ATOM 48 CG PHE 6 67.008 9.354 31.487 1.00 0.00 ATOM 49 CD1 PHE 6 66.047 8.386 31.762 1.00 0.00 ATOM 50 CD2 PHE 6 68.022 9.055 30.578 1.00 0.00 ATOM 51 CE1 PHE 6 66.086 7.142 31.138 1.00 0.00 ATOM 52 CE2 PHE 6 68.077 7.811 29.945 1.00 0.00 ATOM 53 CZ PHE 6 67.108 6.852 30.221 1.00 0.00 ATOM 54 O PHE 6 66.552 12.363 35.045 1.00 0.00 ATOM 55 C PHE 6 67.245 12.224 34.034 1.00 0.00 ATOM 56 N GLU 7 67.748 13.244 33.344 1.00 0.00 ATOM 57 CA GLU 7 67.491 14.642 33.666 1.00 0.00 ATOM 58 CB GLU 7 68.788 15.402 33.943 1.00 0.00 ATOM 59 CG GLU 7 69.181 15.551 35.396 1.00 0.00 ATOM 60 CD GLU 7 70.503 16.299 35.552 1.00 0.00 ATOM 61 OE1 GLU 7 71.564 15.735 35.198 1.00 0.00 ATOM 62 OE2 GLU 7 70.481 17.457 36.018 1.00 0.00 ATOM 63 O GLU 7 67.258 14.812 31.294 1.00 0.00 ATOM 64 C GLU 7 66.882 15.211 32.396 1.00 0.00 ATOM 65 N VAL 8 65.940 16.133 32.541 1.00 0.00 ATOM 66 CA VAL 8 65.326 16.752 31.378 1.00 0.00 ATOM 67 CB VAL 8 63.791 16.805 31.514 1.00 0.00 ATOM 68 CG1 VAL 8 63.234 15.390 31.625 1.00 0.00 ATOM 69 CG2 VAL 8 63.400 17.631 32.728 1.00 0.00 ATOM 70 O VAL 8 66.271 18.762 32.280 1.00 0.00 ATOM 71 C VAL 8 65.887 18.168 31.274 1.00 0.00 ATOM 72 N GLY 9 65.940 18.701 30.059 1.00 0.00 ATOM 73 CA GLY 9 66.464 20.040 29.861 1.00 0.00 ATOM 74 O GLY 9 65.271 21.757 28.695 1.00 0.00 ATOM 75 C GLY 9 65.896 20.697 28.616 1.00 0.00 ATOM 76 N LYS 10 66.112 20.068 27.464 1.00 0.00 ATOM 77 CA LYS 10 65.611 20.598 26.199 1.00 0.00 ATOM 78 CB LYS 10 66.570 20.281 25.046 1.00 0.00 ATOM 79 CG LYS 10 67.788 21.190 24.927 1.00 0.00 ATOM 80 CD LYS 10 68.805 20.921 26.011 1.00 0.00 ATOM 81 CE LYS 10 70.119 21.632 25.711 1.00 0.00 ATOM 82 NZ LYS 10 70.708 21.179 24.420 1.00 0.00 ATOM 83 O LYS 10 63.752 19.090 26.445 1.00 0.00 ATOM 84 C LYS 10 64.243 20.041 25.837 1.00 0.00 ATOM 85 N GLY 11 63.638 20.658 24.830 1.00 0.00 ATOM 86 CA GLY 11 62.343 20.236 24.346 1.00 0.00 ATOM 87 O GLY 11 62.810 21.608 22.451 1.00 0.00 ATOM 88 C GLY 11 62.276 20.587 22.873 1.00 0.00 ATOM 89 N PHE 12 61.621 19.746 22.084 1.00 0.00 ATOM 90 CA PHE 12 61.519 19.996 20.655 1.00 0.00 ATOM 91 CB PHE 12 62.469 19.079 19.884 1.00 0.00 ATOM 92 CG PHE 12 63.917 19.324 20.165 1.00 0.00 ATOM 93 CD1 PHE 12 64.581 20.383 19.559 1.00 0.00 ATOM 94 CD2 PHE 12 64.625 18.482 21.016 1.00 0.00 ATOM 95 CE1 PHE 12 65.928 20.604 19.790 1.00 0.00 ATOM 96 CE2 PHE 12 65.977 18.690 21.260 1.00 0.00 ATOM 97 CZ PHE 12 66.633 19.752 20.645 1.00 0.00 ATOM 98 O PHE 12 59.457 18.798 20.460 1.00 0.00 ATOM 99 C PHE 12 60.126 19.766 20.107 1.00 0.00 ATOM 100 N LEU 13 59.691 20.674 19.243 1.00 0.00 ATOM 101 CA LEU 13 58.413 20.530 18.572 1.00 0.00 ATOM 102 CB LEU 13 57.514 21.745 18.808 1.00 0.00 ATOM 103 CG LEU 13 56.781 21.833 20.149 1.00 0.00 ATOM 104 CD1 LEU 13 55.916 23.103 20.177 1.00 0.00 ATOM 105 CD2 LEU 13 55.910 20.600 20.342 1.00 0.00 ATOM 106 O LEU 13 59.629 21.286 16.662 1.00 0.00 ATOM 107 C LEU 13 58.845 20.462 17.113 1.00 0.00 ATOM 108 N LEU 14 58.372 19.472 16.376 1.00 0.00 ATOM 109 CA LEU 14 58.782 19.377 14.986 1.00 0.00 ATOM 110 CB LEU 14 59.600 18.101 14.737 1.00 0.00 ATOM 111 CG LEU 14 60.455 17.483 15.840 1.00 0.00 ATOM 112 CD1 LEU 14 61.002 16.162 15.320 1.00 0.00 ATOM 113 CD2 LEU 14 61.593 18.407 16.261 1.00 0.00 ATOM 114 O LEU 14 56.533 18.818 14.404 1.00 0.00 ATOM 115 C LEU 14 57.591 19.347 14.059 1.00 0.00 ATOM 116 N ARG 15 57.766 19.936 12.883 1.00 0.00 ATOM 117 CA ARG 15 56.734 19.909 11.857 1.00 0.00 ATOM 118 CB ARG 15 56.521 21.295 11.227 1.00 0.00 ATOM 119 CG ARG 15 55.653 21.241 9.966 1.00 0.00 ATOM 120 CD ARG 15 55.446 22.602 9.306 1.00 0.00 ATOM 121 NE ARG 15 54.748 22.450 8.034 1.00 0.00 ATOM 122 CZ ARG 15 54.282 23.451 7.287 1.00 0.00 ATOM 123 NH1 ARG 15 54.433 24.715 7.666 1.00 0.00 ATOM 124 NH2 ARG 15 53.642 23.178 6.160 1.00 0.00 ATOM 125 O ARG 15 58.300 19.302 10.158 1.00 0.00 ATOM 126 C ARG 15 57.325 18.960 10.823 1.00 0.00 ATOM 127 N LEU 16 56.756 17.763 10.713 1.00 0.00 ATOM 128 CA LEU 16 57.236 16.769 9.761 1.00 0.00 ATOM 129 CB LEU 16 56.651 15.395 10.092 1.00 0.00 ATOM 130 CG LEU 16 57.425 14.565 11.117 1.00 0.00 ATOM 131 CD1 LEU 16 57.869 15.439 12.264 1.00 0.00 ATOM 132 CD2 LEU 16 56.562 13.416 11.602 1.00 0.00 ATOM 133 O LEU 16 55.953 17.900 8.096 1.00 0.00 ATOM 134 C LEU 16 56.877 17.129 8.332 1.00 0.00 ATOM 135 N ASP 17 57.613 16.560 7.384 1.00 0.00 ATOM 136 CA ASP 17 57.369 16.812 5.969 1.00 0.00 ATOM 137 CB ASP 17 58.644 16.575 5.152 1.00 0.00 ATOM 138 CG ASP 17 59.738 17.563 5.483 1.00 0.00 ATOM 139 OD1 ASP 17 59.466 18.780 5.467 1.00 0.00 ATOM 140 OD2 ASP 17 60.874 17.126 5.754 1.00 0.00 ATOM 141 O ASP 17 56.178 14.740 5.679 1.00 0.00 ATOM 142 C ASP 17 56.261 15.941 5.398 1.00 0.00 ATOM 143 N TYR 18 55.414 16.563 4.587 1.00 0.00 ATOM 144 CA TYR 18 54.312 15.881 3.934 1.00 0.00 ATOM 145 CB TYR 18 53.486 16.916 3.156 1.00 0.00 ATOM 146 CG TYR 18 52.434 16.346 2.233 1.00 0.00 ATOM 147 CD1 TYR 18 52.779 15.806 0.992 1.00 0.00 ATOM 148 CD2 TYR 18 51.087 16.366 2.589 1.00 0.00 ATOM 149 CE1 TYR 18 51.805 15.300 0.128 1.00 0.00 ATOM 150 CE2 TYR 18 50.112 15.866 1.737 1.00 0.00 ATOM 151 CZ TYR 18 50.475 15.335 0.507 1.00 0.00 ATOM 152 OH TYR 18 49.509 14.851 -0.338 1.00 0.00 ATOM 153 O TYR 18 55.860 15.000 2.317 1.00 0.00 ATOM 154 C TYR 18 54.849 14.800 2.988 1.00 0.00 ATOM 155 N GLY 19 54.181 13.653 2.953 1.00 0.00 ATOM 156 CA GLY 19 54.595 12.577 2.065 1.00 0.00 ATOM 157 O GLY 19 56.098 10.762 1.743 1.00 0.00 ATOM 158 C GLY 19 55.771 11.698 2.466 1.00 0.00 ATOM 159 N LYS 20 56.409 11.980 3.597 1.00 0.00 ATOM 160 CA LYS 20 57.549 11.180 4.051 1.00 0.00 ATOM 161 CB LYS 20 58.707 12.094 4.465 1.00 0.00 ATOM 162 CG LYS 20 59.202 13.019 3.367 1.00 0.00 ATOM 163 CD LYS 20 59.841 12.237 2.227 1.00 0.00 ATOM 164 CE LYS 20 60.372 13.180 1.146 1.00 0.00 ATOM 165 NZ LYS 20 61.181 12.462 0.117 1.00 0.00 ATOM 166 O LYS 20 56.174 10.657 5.933 1.00 0.00 ATOM 167 C LYS 20 57.137 10.327 5.247 1.00 0.00 ATOM 168 N ASP 21 57.877 9.249 5.509 1.00 0.00 ATOM 169 CA ASP 21 57.556 8.365 6.631 1.00 0.00 ATOM 170 CB ASP 21 58.435 7.113 6.613 1.00 0.00 ATOM 171 CG ASP 21 58.027 6.108 7.680 1.00 0.00 ATOM 172 OD1 ASP 21 56.959 5.486 7.525 1.00 0.00 ATOM 173 OD2 ASP 21 58.759 5.952 8.679 1.00 0.00 ATOM 174 O ASP 21 58.698 9.693 8.280 1.00 0.00 ATOM 175 C ASP 21 57.698 9.041 7.989 1.00 0.00 ATOM 176 N LEU 22 56.692 8.854 8.830 1.00 0.00 ATOM 177 CA LEU 22 56.682 9.456 10.149 1.00 0.00 ATOM 178 CB LEU 22 55.345 9.152 10.838 1.00 0.00 ATOM 179 CG LEU 22 54.900 10.158 11.902 1.00 0.00 ATOM 180 CD1 LEU 22 53.468 9.883 12.337 1.00 0.00 ATOM 181 CD2 LEU 22 55.849 10.084 13.074 1.00 0.00 ATOM 182 O LEU 22 58.619 9.774 11.518 1.00 0.00 ATOM 183 C LEU 22 57.851 8.970 11.004 1.00 0.00 ATOM 184 N VAL 23 57.993 7.653 11.142 1.00 0.00 ATOM 185 CA VAL 23 59.072 7.097 11.947 1.00 0.00 ATOM 186 CB VAL 23 59.016 5.557 11.983 1.00 0.00 ATOM 187 CG1 VAL 23 60.039 5.023 12.981 1.00 0.00 ATOM 188 CG2 VAL 23 57.621 5.097 12.346 1.00 0.00 ATOM 189 O VAL 23 61.306 7.924 12.199 1.00 0.00 ATOM 190 C VAL 23 60.444 7.510 11.429 1.00 0.00 ATOM 191 N ARG 24 60.647 7.401 10.120 1.00 0.00 ATOM 192 CA ARG 24 61.933 7.752 9.521 1.00 0.00 ATOM 193 CB ARG 24 61.907 7.485 8.014 1.00 0.00 ATOM 194 CG ARG 24 61.644 6.029 7.649 1.00 0.00 ATOM 195 CD ARG 24 62.761 5.114 8.123 1.00 0.00 ATOM 196 NE ARG 24 62.440 3.707 7.896 1.00 0.00 ATOM 197 CZ ARG 24 63.275 2.697 8.123 1.00 0.00 ATOM 198 NH1 ARG 24 64.496 2.930 8.586 1.00 0.00 ATOM 199 NH2 ARG 24 62.888 1.451 7.892 1.00 0.00 ATOM 200 O ARG 24 63.543 9.454 10.041 1.00 0.00 ATOM 201 C ARG 24 62.366 9.194 9.772 1.00 0.00 ATOM 202 N GLN 25 61.427 10.132 9.682 1.00 0.00 ATOM 203 CA GLN 25 61.752 11.537 9.903 1.00 0.00 ATOM 204 CB GLN 25 60.546 12.419 9.604 1.00 0.00 ATOM 205 CG GLN 25 60.147 12.399 8.147 1.00 0.00 ATOM 206 CD GLN 25 59.112 13.448 7.809 1.00 0.00 ATOM 207 OE1 GLN 25 59.368 14.646 7.915 1.00 0.00 ATOM 208 NE2 GLN 25 57.934 13.000 7.400 1.00 0.00 ATOM 209 O GLN 25 63.205 12.483 11.549 1.00 0.00 ATOM 210 C GLN 25 62.223 11.784 11.325 1.00 0.00 ATOM 211 N ILE 26 61.519 11.208 12.289 1.00 0.00 ATOM 212 CA ILE 26 61.902 11.374 13.678 1.00 0.00 ATOM 213 CB ILE 26 60.894 10.661 14.617 1.00 0.00 ATOM 214 CG1 ILE 26 59.533 11.369 14.523 1.00 0.00 ATOM 215 CG2 ILE 26 61.423 10.654 16.057 1.00 0.00 ATOM 216 CD1 ILE 26 58.445 10.802 15.429 1.00 0.00 ATOM 217 O ILE 26 64.166 11.446 14.473 1.00 0.00 ATOM 218 C ILE 26 63.301 10.802 13.881 1.00 0.00 ATOM 219 N GLU 27 63.527 9.596 13.374 1.00 0.00 ATOM 220 CA GLU 27 64.830 8.961 13.518 1.00 0.00 ATOM 221 CB GLU 27 64.818 7.559 12.890 1.00 0.00 ATOM 222 CG GLU 27 63.721 6.656 13.468 1.00 0.00 ATOM 223 CD GLU 27 64.056 5.174 13.407 1.00 0.00 ATOM 224 OE1 GLU 27 64.627 4.730 12.387 1.00 0.00 ATOM 225 OE2 GLU 27 63.733 4.448 14.379 1.00 0.00 ATOM 226 O GLU 27 67.049 9.847 13.440 1.00 0.00 ATOM 227 C GLU 27 65.941 9.814 12.915 1.00 0.00 ATOM 228 N GLU 28 65.653 10.513 11.821 1.00 0.00 ATOM 229 CA GLU 28 66.672 11.361 11.213 1.00 0.00 ATOM 230 CB GLU 28 66.204 11.879 9.851 1.00 0.00 ATOM 231 CG GLU 28 66.174 10.801 8.772 1.00 0.00 ATOM 232 CD GLU 28 65.554 11.284 7.474 1.00 0.00 ATOM 233 OE1 GLU 28 66.020 12.311 6.936 1.00 0.00 ATOM 234 OE2 GLU 28 64.601 10.634 6.993 1.00 0.00 ATOM 235 O GLU 28 68.112 12.910 12.347 1.00 0.00 ATOM 236 C GLU 28 66.960 12.520 12.154 1.00 0.00 ATOM 237 N PHE 29 65.908 13.070 12.748 1.00 0.00 ATOM 238 CA PHE 29 66.072 14.170 13.682 1.00 0.00 ATOM 239 CB PHE 29 64.713 14.612 14.214 1.00 0.00 ATOM 240 CG PHE 29 64.807 15.616 15.318 1.00 0.00 ATOM 241 CD1 PHE 29 65.244 16.907 15.060 1.00 0.00 ATOM 242 CD2 PHE 29 64.497 15.259 16.628 1.00 0.00 ATOM 243 CE1 PHE 29 65.376 17.832 16.090 1.00 0.00 ATOM 244 CE2 PHE 29 64.623 16.174 17.666 1.00 0.00 ATOM 245 CZ PHE 29 65.065 17.467 17.397 1.00 0.00 ATOM 246 O PHE 29 67.880 14.468 15.250 1.00 0.00 ATOM 247 C PHE 29 66.953 13.751 14.863 1.00 0.00 ATOM 248 N LEU 30 66.653 12.588 15.434 1.00 0.00 ATOM 249 CA LEU 30 67.399 12.073 16.578 1.00 0.00 ATOM 250 CB LEU 30 66.786 10.743 17.045 1.00 0.00 ATOM 251 CG LEU 30 65.301 10.841 17.426 1.00 0.00 ATOM 252 CD1 LEU 30 64.695 9.457 17.659 1.00 0.00 ATOM 253 CD2 LEU 30 65.182 11.694 18.670 1.00 0.00 ATOM 254 O LEU 30 69.739 12.238 17.081 1.00 0.00 ATOM 255 C LEU 30 68.881 11.888 16.267 1.00 0.00 ATOM 256 N GLU 31 69.179 11.328 15.097 1.00 0.00 ATOM 257 CA GLU 31 70.566 11.103 14.682 1.00 0.00 ATOM 258 CB GLU 31 70.610 10.388 13.325 1.00 0.00 ATOM 259 CG GLU 31 70.039 8.971 13.318 1.00 0.00 ATOM 260 CD GLU 31 71.068 7.910 13.688 1.00 0.00 ATOM 261 OE1 GLU 31 71.761 8.079 14.715 1.00 0.00 ATOM 262 OE2 GLU 31 71.179 6.902 12.952 1.00 0.00 ATOM 263 O GLU 31 72.443 12.574 15.004 1.00 0.00 ATOM 264 C GLU 31 71.299 12.437 14.573 1.00 0.00 ATOM 265 N GLU 32 70.622 13.423 13.996 1.00 0.00 ATOM 266 CA GLU 32 71.195 14.751 13.819 1.00 0.00 ATOM 267 CB GLU 32 70.230 15.624 13.018 1.00 0.00 ATOM 268 CG GLU 32 70.588 17.097 12.996 1.00 0.00 ATOM 269 CD GLU 32 69.619 17.909 12.167 1.00 0.00 ATOM 270 OE1 GLU 32 68.403 17.847 12.450 1.00 0.00 ATOM 271 OE2 GLU 32 70.075 18.608 11.234 1.00 0.00 ATOM 272 O GLU 32 72.565 16.066 15.285 1.00 0.00 ATOM 273 C GLU 32 71.522 15.422 15.143 1.00 0.00 ATOM 274 N LYS 33 70.631 15.275 16.116 1.00 0.00 ATOM 275 CA LYS 33 70.838 15.882 17.426 1.00 0.00 ATOM 276 CB LYS 33 69.494 16.252 18.063 1.00 0.00 ATOM 277 CG LYS 33 68.728 17.326 17.315 1.00 0.00 ATOM 278 CD LYS 33 69.492 18.645 17.303 1.00 0.00 ATOM 279 CE LYS 33 68.789 19.690 16.445 1.00 0.00 ATOM 280 NZ LYS 33 69.547 20.977 16.401 1.00 0.00 ATOM 281 O LYS 33 72.065 15.403 19.417 1.00 0.00 ATOM 282 C LYS 33 71.602 14.968 18.370 1.00 0.00 ATOM 283 N GLY 34 71.741 13.702 17.994 1.00 0.00 ATOM 284 CA GLY 34 72.440 12.766 18.853 1.00 0.00 ATOM 285 O GLY 34 72.205 12.253 21.178 1.00 0.00 ATOM 286 C GLY 34 71.639 12.420 20.099 1.00 0.00 ATOM 287 N ILE 35 70.320 12.325 19.954 1.00 0.00 ATOM 288 CA ILE 35 69.447 11.973 21.077 1.00 0.00 ATOM 289 CB ILE 35 68.015 12.535 20.887 1.00 0.00 ATOM 290 CG1 ILE 35 68.061 14.032 20.564 1.00 0.00 ATOM 291 CG2 ILE 35 67.196 12.293 22.148 1.00 0.00 ATOM 292 CD1 ILE 35 68.618 14.873 21.664 1.00 0.00 ATOM 293 O ILE 35 68.907 9.827 20.164 1.00 0.00 ATOM 294 C ILE 35 69.347 10.446 21.128 1.00 0.00 ATOM 295 N HIS 36 69.745 9.842 22.243 1.00 0.00 ATOM 296 CA HIS 36 69.701 8.386 22.373 1.00 0.00 ATOM 297 CB HIS 36 71.049 7.866 22.879 1.00 0.00 ATOM 298 CG HIS 36 72.187 8.134 21.944 1.00 0.00 ATOM 299 CD2 HIS 36 72.209 8.660 20.695 1.00 0.00 ATOM 300 ND1 HIS 36 73.498 7.853 22.264 1.00 0.00 ATOM 301 CE1 HIS 36 74.279 8.196 21.254 1.00 0.00 ATOM 302 NE2 HIS 36 73.521 8.688 20.290 1.00 0.00 ATOM 303 O HIS 36 68.298 6.677 23.293 1.00 0.00 ATOM 304 C HIS 36 68.592 7.872 23.279 1.00 0.00 ATOM 305 N ALA 37 67.979 8.776 24.036 1.00 0.00 ATOM 306 CA ALA 37 66.895 8.415 24.941 1.00 0.00 ATOM 307 CB ALA 37 67.451 8.141 26.337 1.00 0.00 ATOM 308 O ALA 37 66.316 10.729 25.111 1.00 0.00 ATOM 309 C ALA 37 65.910 9.578 24.981 1.00 0.00 ATOM 310 N ALA 38 64.621 9.282 24.859 1.00 0.00 ATOM 311 CA ALA 38 63.609 10.334 24.874 1.00 0.00 ATOM 312 CB ALA 38 63.758 11.210 23.633 1.00 0.00 ATOM 313 O ALA 38 61.934 8.619 24.759 1.00 0.00 ATOM 314 C ALA 38 62.185 9.810 24.944 1.00 0.00 ATOM 315 N HIS 39 61.261 10.721 25.237 1.00 0.00 ATOM 316 CA HIS 39 59.842 10.408 25.286 1.00 0.00 ATOM 317 CB HIS 39 59.185 11.004 26.528 1.00 0.00 ATOM 318 CG HIS 39 57.703 10.801 26.575 1.00 0.00 ATOM 319 CD2 HIS 39 56.954 9.681 26.442 1.00 0.00 ATOM 320 ND1 HIS 39 56.816 11.834 26.793 1.00 0.00 ATOM 321 CE1 HIS 39 55.584 11.358 26.794 1.00 0.00 ATOM 322 NE2 HIS 39 55.640 10.054 26.583 1.00 0.00 ATOM 323 O HIS 39 59.678 12.207 23.720 1.00 0.00 ATOM 324 C HIS 39 59.281 11.087 24.044 1.00 0.00 ATOM 325 N ILE 40 58.365 10.414 23.356 1.00 0.00 ATOM 326 CA ILE 40 57.784 10.941 22.129 1.00 0.00 ATOM 327 CB ILE 40 58.141 10.051 20.929 1.00 0.00 ATOM 328 CG1 ILE 40 59.654 10.043 20.708 1.00 0.00 ATOM 329 CG2 ILE 40 57.394 10.524 19.692 1.00 0.00 ATOM 330 CD1 ILE 40 60.104 8.991 19.703 1.00 0.00 ATOM 331 O ILE 40 55.596 10.145 22.683 1.00 0.00 ATOM 332 C ILE 40 56.270 11.030 22.160 1.00 0.00 ATOM 333 N SER 41 55.745 12.093 21.560 1.00 0.00 ATOM 334 CA SER 41 54.309 12.293 21.474 1.00 0.00 ATOM 335 CB SER 41 53.819 13.087 22.676 1.00 0.00 ATOM 336 OG SER 41 52.417 13.239 22.621 1.00 0.00 ATOM 337 O SER 41 54.791 13.894 19.757 1.00 0.00 ATOM 338 C SER 41 54.002 13.059 20.183 1.00 0.00 ATOM 339 N ALA 42 52.867 12.770 19.556 1.00 0.00 ATOM 340 CA ALA 42 52.505 13.469 18.326 1.00 0.00 ATOM 341 CB ALA 42 53.300 12.896 17.144 1.00 0.00 ATOM 342 O ALA 42 50.305 12.539 18.532 1.00 0.00 ATOM 343 C ALA 42 51.019 13.401 18.021 1.00 0.00 ATOM 344 N ILE 43 50.556 14.339 17.200 1.00 0.00 ATOM 345 CA ILE 43 49.167 14.374 16.766 1.00 0.00 ATOM 346 CB ILE 43 48.277 15.321 17.614 1.00 0.00 ATOM 347 CG1 ILE 43 48.803 16.756 17.552 1.00 0.00 ATOM 348 CG2 ILE 43 48.201 14.828 19.051 1.00 0.00 ATOM 349 CD1 ILE 43 47.826 17.779 18.159 1.00 0.00 ATOM 350 O ILE 43 50.211 15.373 14.866 1.00 0.00 ATOM 351 C ILE 43 49.190 14.879 15.332 1.00 0.00 ATOM 352 N GLY 44 48.069 14.758 14.635 1.00 0.00 ATOM 353 CA GLY 44 48.027 15.212 13.259 1.00 0.00 ATOM 354 O GLY 44 46.262 13.675 12.866 1.00 0.00 ATOM 355 C GLY 44 47.257 14.228 12.413 1.00 0.00 ATOM 356 N ALA 45 47.708 14.007 11.183 1.00 0.00 ATOM 357 CA ALA 45 47.030 13.075 10.295 1.00 0.00 ATOM 358 CB ALA 45 45.941 13.800 9.505 1.00 0.00 ATOM 359 O ALA 45 49.071 13.009 9.047 1.00 0.00 ATOM 360 C ALA 45 48.028 12.433 9.343 1.00 0.00 ATOM 361 N VAL 46 47.683 11.244 8.862 1.00 0.00 ATOM 362 CA VAL 46 48.530 10.493 7.943 1.00 0.00 ATOM 363 CB VAL 46 49.082 9.208 8.611 1.00 0.00 ATOM 364 CG1 VAL 46 49.887 9.564 9.855 1.00 0.00 ATOM 365 CG2 VAL 46 47.941 8.283 8.972 1.00 0.00 ATOM 366 O VAL 46 46.509 9.991 6.757 1.00 0.00 ATOM 367 C VAL 46 47.734 10.087 6.710 1.00 0.00 ATOM 368 N ARG 47 48.440 9.837 5.612 1.00 0.00 ATOM 369 CA ARG 47 47.811 9.427 4.358 1.00 0.00 ATOM 370 CB ARG 47 48.647 9.925 3.177 1.00 0.00 ATOM 371 CG ARG 47 48.981 11.420 3.248 1.00 0.00 ATOM 372 CD ARG 47 49.628 11.878 1.944 1.00 0.00 ATOM 373 NE ARG 47 48.702 11.771 0.818 1.00 0.00 ATOM 374 CZ ARG 47 49.078 11.602 -0.446 1.00 0.00 ATOM 375 NH1 ARG 47 50.368 11.517 -0.751 1.00 0.00 ATOM 376 NH2 ARG 47 48.163 11.518 -1.406 1.00 0.00 ATOM 377 O ARG 47 46.856 7.382 3.521 1.00 0.00 ATOM 378 C ARG 47 47.662 7.908 4.289 1.00 0.00 ATOM 379 N SER 48 48.452 7.204 5.092 1.00 0.00 ATOM 380 CA SER 48 48.392 5.746 5.133 1.00 0.00 ATOM 381 CB SER 48 48.877 5.146 3.816 1.00 0.00 ATOM 382 OG SER 48 50.254 5.427 3.623 1.00 0.00 ATOM 383 O SER 48 50.010 6.057 6.858 1.00 0.00 ATOM 384 C SER 48 49.290 5.268 6.256 1.00 0.00 ATOM 385 N ALA 49 49.274 3.970 6.526 1.00 0.00 ATOM 386 CA ALA 49 50.102 3.470 7.601 1.00 0.00 ATOM 387 CB ALA 49 49.576 4.009 8.933 1.00 0.00 ATOM 388 O ALA 49 49.398 1.260 7.001 1.00 0.00 ATOM 389 C ALA 49 50.165 1.963 7.660 1.00 0.00 ATOM 390 N VAL 50 51.109 1.479 8.458 1.00 0.00 ATOM 391 CA VAL 50 51.268 0.058 8.694 1.00 0.00 ATOM 392 CB VAL 50 52.510 -0.527 7.988 1.00 0.00 ATOM 393 CG1 VAL 50 52.658 -2.006 8.358 1.00 0.00 ATOM 394 CG2 VAL 50 52.368 -0.386 6.467 1.00 0.00 ATOM 395 O VAL 50 52.364 0.429 10.792 1.00 0.00 ATOM 396 C VAL 50 51.425 -0.095 10.199 1.00 0.00 ATOM 397 N ILE 51 50.479 -0.792 10.814 1.00 0.00 ATOM 398 CA ILE 51 50.501 -1.017 12.250 1.00 0.00 ATOM 399 CB ILE 51 49.266 -0.397 12.939 1.00 0.00 ATOM 400 CG1 ILE 51 47.991 -1.067 12.423 1.00 0.00 ATOM 401 CG2 ILE 51 49.219 1.109 12.675 1.00 0.00 ATOM 402 CD1 ILE 51 46.743 -0.677 13.186 1.00 0.00 ATOM 403 O ILE 51 50.534 -3.303 11.534 1.00 0.00 ATOM 404 C ILE 51 50.478 -2.520 12.482 1.00 0.00 ATOM 405 N GLY 52 50.389 -2.932 13.737 1.00 0.00 ATOM 406 CA GLY 52 50.350 -4.356 13.999 1.00 0.00 ATOM 407 O GLY 52 50.408 -3.816 16.315 1.00 0.00 ATOM 408 C GLY 52 50.228 -4.681 15.461 1.00 0.00 ATOM 409 N TYR 53 49.898 -5.929 15.755 1.00 0.00 ATOM 410 CA TYR 53 49.785 -6.344 17.138 1.00 0.00 ATOM 411 CB TYR 53 48.330 -6.657 17.487 1.00 0.00 ATOM 412 CG TYR 53 47.721 -7.821 16.756 1.00 0.00 ATOM 413 CD1 TYR 53 47.926 -9.129 17.199 1.00 0.00 ATOM 414 CD2 TYR 53 46.899 -7.619 15.648 1.00 0.00 ATOM 415 CE1 TYR 53 47.320 -10.206 16.560 1.00 0.00 ATOM 416 CE2 TYR 53 46.290 -8.691 15.001 1.00 0.00 ATOM 417 CZ TYR 53 46.501 -9.985 15.466 1.00 0.00 ATOM 418 OH TYR 53 45.871 -11.044 14.859 1.00 0.00 ATOM 419 O TYR 53 50.994 -8.282 16.396 1.00 0.00 ATOM 420 C TYR 53 50.699 -7.545 17.341 1.00 0.00 ATOM 421 N TYR 54 51.161 -7.728 18.570 1.00 0.00 ATOM 422 CA TYR 54 52.073 -8.813 18.881 1.00 0.00 ATOM 423 CB TYR 54 53.105 -8.312 19.888 1.00 0.00 ATOM 424 CG TYR 54 54.298 -9.210 20.060 1.00 0.00 ATOM 425 CD1 TYR 54 55.202 -9.410 19.015 1.00 0.00 ATOM 426 CD2 TYR 54 54.535 -9.858 21.277 1.00 0.00 ATOM 427 CE1 TYR 54 56.319 -10.232 19.176 1.00 0.00 ATOM 428 CE2 TYR 54 55.649 -10.685 21.452 1.00 0.00 ATOM 429 CZ TYR 54 56.537 -10.867 20.400 1.00 0.00 ATOM 430 OH TYR 54 57.641 -11.661 20.575 1.00 0.00 ATOM 431 O TYR 54 50.724 -10.023 20.468 1.00 0.00 ATOM 432 C TYR 54 51.385 -10.064 19.427 1.00 0.00 ATOM 433 N ASP 55 51.525 -11.175 18.713 1.00 0.00 ATOM 434 CA ASP 55 50.949 -12.428 19.187 1.00 0.00 ATOM 435 CB ASP 55 50.958 -13.486 18.087 1.00 0.00 ATOM 436 CG ASP 55 50.261 -14.763 18.511 1.00 0.00 ATOM 437 OD1 ASP 55 50.586 -15.279 19.600 1.00 0.00 ATOM 438 OD2 ASP 55 49.393 -15.250 17.761 1.00 0.00 ATOM 439 O ASP 55 53.059 -13.144 20.085 1.00 0.00 ATOM 440 C ASP 55 51.892 -12.830 20.319 1.00 0.00 ATOM 441 N GLN 56 51.385 -12.806 21.544 1.00 0.00 ATOM 442 CA GLN 56 52.195 -13.115 22.711 1.00 0.00 ATOM 443 CB GLN 56 51.497 -12.575 23.968 1.00 0.00 ATOM 444 CG GLN 56 51.218 -11.073 23.881 1.00 0.00 ATOM 445 CD GLN 56 50.517 -10.505 25.111 1.00 0.00 ATOM 446 OE1 GLN 56 50.098 -9.347 25.114 1.00 0.00 ATOM 447 NE2 GLN 56 50.394 -11.309 26.155 1.00 0.00 ATOM 448 O GLN 56 53.450 -14.890 23.708 1.00 0.00 ATOM 449 C GLN 56 52.578 -14.584 22.898 1.00 0.00 ATOM 450 N GLU 57 51.942 -15.482 22.150 1.00 0.00 ATOM 451 CA GLU 57 52.255 -16.911 22.254 1.00 0.00 ATOM 452 CB GLU 57 50.975 -17.751 22.239 1.00 0.00 ATOM 453 CG GLU 57 50.069 -17.565 23.446 1.00 0.00 ATOM 454 CD GLU 57 50.797 -17.753 24.765 1.00 0.00 ATOM 455 OE1 GLU 57 51.704 -18.612 24.832 1.00 0.00 ATOM 456 OE2 GLU 57 50.456 -17.050 25.740 1.00 0.00 ATOM 457 O GLU 57 54.175 -18.051 21.355 1.00 0.00 ATOM 458 C GLU 57 53.178 -17.370 21.118 1.00 0.00 ATOM 459 N LYS 58 52.837 -17.007 19.885 1.00 0.00 ATOM 460 CA LYS 58 53.661 -17.366 18.736 1.00 0.00 ATOM 461 CB LYS 58 52.903 -17.135 17.429 1.00 0.00 ATOM 462 CG LYS 58 51.696 -18.044 17.226 1.00 0.00 ATOM 463 CD LYS 58 50.974 -17.698 15.926 1.00 0.00 ATOM 464 CE LYS 58 49.758 -18.586 15.690 1.00 0.00 ATOM 465 NZ LYS 58 50.124 -20.014 15.480 1.00 0.00 ATOM 466 O LYS 58 55.909 -16.804 18.115 1.00 0.00 ATOM 467 C LYS 58 54.907 -16.497 18.761 1.00 0.00 ATOM 468 N LYS 59 54.832 -15.402 19.510 1.00 0.00 ATOM 469 CA LYS 59 55.959 -14.488 19.646 1.00 0.00 ATOM 470 CB LYS 59 57.160 -15.227 20.259 1.00 0.00 ATOM 471 CG LYS 59 56.916 -15.716 21.685 1.00 0.00 ATOM 472 CD LYS 59 57.803 -16.907 22.047 1.00 0.00 ATOM 473 CE LYS 59 59.259 -16.511 22.228 1.00 0.00 ATOM 474 NZ LYS 59 59.449 -15.657 23.434 1.00 0.00 ATOM 475 O LYS 59 57.530 -13.885 17.930 1.00 0.00 ATOM 476 C LYS 59 56.365 -13.841 18.327 1.00 0.00 ATOM 477 N GLU 60 55.396 -13.246 17.643 1.00 0.00 ATOM 478 CA GLU 60 55.671 -12.561 16.390 1.00 0.00 ATOM 479 CB GLU 60 55.802 -13.568 15.236 1.00 0.00 ATOM 480 CG GLU 60 54.529 -14.282 14.812 1.00 0.00 ATOM 481 CD GLU 60 54.805 -15.409 13.814 1.00 0.00 ATOM 482 OE1 GLU 60 55.251 -16.496 14.241 1.00 0.00 ATOM 483 OE2 GLU 60 54.592 -15.204 12.600 1.00 0.00 ATOM 484 O GLU 60 53.444 -11.627 16.517 1.00 0.00 ATOM 485 C GLU 60 54.601 -11.509 16.094 1.00 0.00 ATOM 486 N TYR 61 55.000 -10.458 15.392 1.00 0.00 ATOM 487 CA TYR 61 54.066 -9.393 15.066 1.00 0.00 ATOM 488 CB TYR 61 54.830 -8.128 14.676 1.00 0.00 ATOM 489 CG TYR 61 55.346 -7.330 15.856 1.00 0.00 ATOM 490 CD1 TYR 61 54.472 -6.598 16.662 1.00 0.00 ATOM 491 CD2 TYR 61 56.705 -7.297 16.163 1.00 0.00 ATOM 492 CE1 TYR 61 54.941 -5.848 17.745 1.00 0.00 ATOM 493 CE2 TYR 61 57.183 -6.551 17.245 1.00 0.00 ATOM 494 CZ TYR 61 56.294 -5.828 18.030 1.00 0.00 ATOM 495 OH TYR 61 56.749 -5.084 19.093 1.00 0.00 ATOM 496 O TYR 61 53.431 -10.674 13.130 1.00 0.00 ATOM 497 C TYR 61 53.117 -9.802 13.947 1.00 0.00 ATOM 498 N VAL 62 51.941 -9.182 13.947 1.00 0.00 ATOM 499 CA VAL 62 50.911 -9.415 12.948 1.00 0.00 ATOM 500 CB VAL 62 49.685 -10.108 13.563 1.00 0.00 ATOM 501 CG1 VAL 62 48.612 -10.296 12.515 1.00 0.00 ATOM 502 CG2 VAL 62 50.093 -11.457 14.153 1.00 0.00 ATOM 503 O VAL 62 49.901 -7.274 13.259 1.00 0.00 ATOM 504 C VAL 62 50.530 -8.011 12.506 1.00 0.00 ATOM 505 N LYS 63 50.916 -7.636 11.293 1.00 0.00 ATOM 506 CA LYS 63 50.640 -6.293 10.814 1.00 0.00 ATOM 507 CB LYS 63 51.836 -5.767 10.013 1.00 0.00 ATOM 508 CG LYS 63 52.272 -6.647 8.854 1.00 0.00 ATOM 509 CD LYS 63 53.463 -6.041 8.114 1.00 0.00 ATOM 510 CE LYS 63 54.671 -5.879 9.026 1.00 0.00 ATOM 511 NZ LYS 63 55.816 -5.211 8.338 1.00 0.00 ATOM 512 O LYS 63 48.796 -7.038 9.455 1.00 0.00 ATOM 513 C LYS 63 49.364 -6.098 10.016 1.00 0.00 ATOM 514 N LYS 64 48.913 -4.849 9.997 1.00 0.00 ATOM 515 CA LYS 64 47.713 -4.461 9.281 1.00 0.00 ATOM 516 CB LYS 64 46.586 -4.117 10.262 1.00 0.00 ATOM 517 CG LYS 64 45.279 -3.753 9.576 1.00 0.00 ATOM 518 CD LYS 64 44.171 -3.449 10.569 1.00 0.00 ATOM 519 CE LYS 64 42.865 -3.202 9.839 1.00 0.00 ATOM 520 NZ LYS 64 42.593 -4.306 8.875 1.00 0.00 ATOM 521 O LYS 64 48.687 -2.298 8.901 1.00 0.00 ATOM 522 C LYS 64 48.049 -3.243 8.430 1.00 0.00 ATOM 523 N GLU 65 47.639 -3.284 7.170 1.00 0.00 ATOM 524 CA GLU 65 47.892 -2.183 6.255 1.00 0.00 ATOM 525 CB GLU 65 48.232 -2.706 4.860 1.00 0.00 ATOM 526 CG GLU 65 49.646 -3.233 4.726 1.00 0.00 ATOM 527 CD GLU 65 49.898 -3.856 3.369 1.00 0.00 ATOM 528 OE1 GLU 65 49.546 -5.042 3.182 1.00 0.00 ATOM 529 OE2 GLU 65 50.435 -3.152 2.485 1.00 0.00 ATOM 530 O GLU 65 45.540 -1.841 6.160 1.00 0.00 ATOM 531 C GLU 65 46.655 -1.328 6.180 1.00 0.00 ATOM 532 N LEU 66 46.864 -0.021 6.154 1.00 0.00 ATOM 533 CA LEU 66 45.774 0.937 6.070 1.00 0.00 ATOM 534 CB LEU 66 45.608 1.666 7.400 1.00 0.00 ATOM 535 CG LEU 66 45.136 0.827 8.588 1.00 0.00 ATOM 536 CD1 LEU 66 45.396 1.595 9.869 1.00 0.00 ATOM 537 CD2 LEU 66 43.650 0.491 8.436 1.00 0.00 ATOM 538 O LEU 66 47.011 2.772 5.179 1.00 0.00 ATOM 539 C LEU 66 46.132 1.937 4.986 1.00 0.00 ATOM 540 N MET 67 45.464 1.837 3.844 1.00 0.00 ATOM 541 CA MET 67 45.723 2.743 2.738 1.00 0.00 ATOM 542 CB MET 67 45.959 1.949 1.449 1.00 0.00 ATOM 543 CG MET 67 47.264 1.148 1.463 1.00 0.00 ATOM 544 SD MET 67 47.586 0.065 -0.122 1.00 0.00 ATOM 545 CE MET 67 48.176 1.454 -1.335 1.00 0.00 ATOM 546 O MET 67 43.981 3.869 1.501 1.00 0.00 ATOM 547 C MET 67 44.579 3.736 2.573 1.00 0.00 ATOM 548 N GLU 68 44.276 4.421 3.669 1.00 0.00 ATOM 549 CA GLU 68 43.234 5.433 3.702 1.00 0.00 ATOM 550 CB GLU 68 41.899 4.862 4.207 1.00 0.00 ATOM 551 CG GLU 68 40.868 5.957 4.539 1.00 0.00 ATOM 552 CD GLU 68 39.593 5.433 5.175 1.00 0.00 ATOM 553 OE1 GLU 68 39.688 4.612 6.114 1.00 0.00 ATOM 554 OE2 GLU 68 38.495 5.858 4.749 1.00 0.00 ATOM 555 O GLU 68 44.303 6.224 5.690 1.00 0.00 ATOM 556 C GLU 68 43.692 6.514 4.660 1.00 0.00 ATOM 557 N PRO 69 43.420 7.780 4.326 1.00 0.00 ATOM 558 CA PRO 69 43.814 8.893 5.191 1.00 0.00 ATOM 559 CB PRO 69 43.196 10.096 4.492 1.00 0.00 ATOM 560 CG PRO 69 43.301 9.715 3.048 1.00 0.00 ATOM 561 CD PRO 69 42.849 8.272 3.060 1.00 0.00 ATOM 562 O PRO 69 42.057 8.283 6.691 1.00 0.00 ATOM 563 C PRO 69 43.219 8.664 6.575 1.00 0.00 ATOM 564 N LEU 70 44.012 8.893 7.616 1.00 0.00 ATOM 565 CA LEU 70 43.543 8.700 8.986 1.00 0.00 ATOM 566 CB LEU 70 43.994 7.328 9.504 1.00 0.00 ATOM 567 CG LEU 70 43.028 6.135 9.571 1.00 0.00 ATOM 568 CD1 LEU 70 41.920 6.261 8.559 1.00 0.00 ATOM 569 CD2 LEU 70 43.821 4.850 9.351 1.00 0.00 ATOM 570 O LEU 70 45.167 10.326 9.654 1.00 0.00 ATOM 571 C LEU 70 44.093 9.783 9.899 1.00 0.00 ATOM 572 N GLU 71 43.344 10.104 10.949 1.00 0.00 ATOM 573 CA GLU 71 43.787 11.098 11.914 1.00 0.00 ATOM 574 CB GLU 71 42.601 11.671 12.692 1.00 0.00 ATOM 575 CG GLU 71 41.609 12.487 11.888 1.00 0.00 ATOM 576 CD GLU 71 42.055 13.914 11.730 1.00 0.00 ATOM 577 OE1 GLU 71 42.326 14.560 12.766 1.00 0.00 ATOM 578 OE2 GLU 71 42.135 14.394 10.581 1.00 0.00 ATOM 579 O GLU 71 44.456 9.218 13.232 1.00 0.00 ATOM 580 C GLU 71 44.685 10.385 12.914 1.00 0.00 ATOM 581 N ILE 72 45.711 11.072 13.398 1.00 0.00 ATOM 582 CA ILE 72 46.565 10.489 14.417 1.00 0.00 ATOM 583 CB ILE 72 47.951 11.139 14.470 1.00 0.00 ATOM 584 CG1 ILE 72 48.684 10.942 13.140 1.00 0.00 ATOM 585 CG2 ILE 72 48.763 10.516 15.600 1.00 0.00 ATOM 586 CD1 ILE 72 50.031 11.639 13.093 1.00 0.00 ATOM 587 O ILE 72 45.886 11.992 16.150 1.00 0.00 ATOM 588 C ILE 72 45.807 10.861 15.680 1.00 0.00 ATOM 589 N LEU 73 45.043 9.914 16.206 1.00 0.00 ATOM 590 CA LEU 73 44.248 10.165 17.400 1.00 0.00 ATOM 591 CB LEU 73 43.145 9.123 17.498 1.00 0.00 ATOM 592 CG LEU 73 42.288 9.046 16.235 1.00 0.00 ATOM 593 CD1 LEU 73 41.217 7.976 16.397 1.00 0.00 ATOM 594 CD2 LEU 73 41.647 10.409 15.965 1.00 0.00 ATOM 595 O LEU 73 44.791 10.800 19.654 1.00 0.00 ATOM 596 C LEU 73 45.108 10.150 18.649 1.00 0.00 ATOM 597 N SER 74 46.210 9.407 18.568 1.00 0.00 ATOM 598 CA SER 74 47.151 9.282 19.667 1.00 0.00 ATOM 599 CB SER 74 46.545 8.441 20.797 1.00 0.00 ATOM 600 OG SER 74 47.472 8.279 21.857 1.00 0.00 ATOM 601 O SER 74 48.378 7.591 18.486 1.00 0.00 ATOM 602 C SER 74 48.428 8.617 19.163 1.00 0.00 ATOM 603 N LEU 75 49.561 9.227 19.488 1.00 0.00 ATOM 604 CA LEU 75 50.872 8.718 19.106 1.00 0.00 ATOM 605 CB LEU 75 51.412 9.473 17.886 1.00 0.00 ATOM 606 CG LEU 75 52.643 8.844 17.215 1.00 0.00 ATOM 607 CD1 LEU 75 52.676 9.258 15.756 1.00 0.00 ATOM 608 CD2 LEU 75 53.925 9.249 17.940 1.00 0.00 ATOM 609 O LEU 75 51.974 10.062 20.767 1.00 0.00 ATOM 610 C LEU 75 51.776 8.935 20.312 1.00 0.00 ATOM 611 N SER 76 52.313 7.848 20.841 1.00 0.00 ATOM 612 CA SER 76 53.166 7.938 22.012 1.00 0.00 ATOM 613 CB SER 76 52.326 7.724 23.273 1.00 0.00 ATOM 614 OG SER 76 53.163 7.639 24.409 1.00 0.00 ATOM 615 O SER 76 54.115 5.836 21.386 1.00 0.00 ATOM 616 C SER 76 54.279 6.904 21.957 1.00 0.00 ATOM 617 N GLY 77 55.418 7.217 22.553 1.00 0.00 ATOM 618 CA GLY 77 56.496 6.253 22.524 1.00 0.00 ATOM 619 O GLY 77 57.810 7.770 23.818 1.00 0.00 ATOM 620 C GLY 77 57.780 6.750 23.133 1.00 0.00 ATOM 621 N ASN 78 58.857 6.024 22.868 1.00 0.00 ATOM 622 CA ASN 78 60.143 6.387 23.414 1.00 0.00 ATOM 623 CB ASN 78 60.370 5.616 24.713 1.00 0.00 ATOM 624 CG ASN 78 60.309 4.122 24.509 1.00 0.00 ATOM 625 ND2 ASN 78 59.339 3.474 25.147 1.00 0.00 ATOM 626 OD1 ASN 78 61.122 3.552 23.775 1.00 0.00 ATOM 627 O ASN 78 61.123 5.399 21.445 1.00 0.00 ATOM 628 C ASN 78 61.284 6.101 22.448 1.00 0.00 ATOM 629 N VAL 79 62.438 6.665 22.775 1.00 0.00 ATOM 630 CA VAL 79 63.655 6.490 21.996 1.00 0.00 ATOM 631 CB VAL 79 64.266 7.840 21.581 1.00 0.00 ATOM 632 CG1 VAL 79 65.620 7.611 20.927 1.00 0.00 ATOM 633 CG2 VAL 79 63.325 8.575 20.644 1.00 0.00 ATOM 634 O VAL 79 64.763 6.100 24.082 1.00 0.00 ATOM 635 C VAL 79 64.658 5.789 22.893 1.00 0.00 ATOM 636 N SER 80 65.385 4.836 22.324 1.00 0.00 ATOM 637 CA SER 80 66.400 4.099 23.063 1.00 0.00 ATOM 638 CB SER 80 65.768 2.949 23.856 1.00 0.00 ATOM 639 OG SER 80 64.874 2.201 23.059 1.00 0.00 ATOM 640 O SER 80 67.294 3.842 20.860 1.00 0.00 ATOM 641 C SER 80 67.418 3.577 22.058 1.00 0.00 ATOM 642 N MET 81 68.421 2.848 22.536 1.00 0.00 ATOM 643 CA MET 81 69.453 2.328 21.648 1.00 0.00 ATOM 644 CB MET 81 70.835 2.498 22.289 1.00 0.00 ATOM 645 CG MET 81 71.308 3.947 22.392 1.00 0.00 ATOM 646 SD MET 81 71.696 4.784 20.668 1.00 0.00 ATOM 647 CE MET 81 73.530 4.190 20.479 1.00 0.00 ATOM 648 O MET 81 69.100 -0.013 22.052 1.00 0.00 ATOM 649 C MET 81 69.266 0.879 21.223 1.00 0.00 ATOM 650 N LYS 82 69.290 0.669 19.912 1.00 0.00 ATOM 651 CA LYS 82 69.169 -0.657 19.316 1.00 0.00 ATOM 652 CB LYS 82 67.742 -0.911 18.820 1.00 0.00 ATOM 653 CG LYS 82 67.539 -2.310 18.245 1.00 0.00 ATOM 654 CD LYS 82 66.084 -2.575 17.863 1.00 0.00 ATOM 655 CE LYS 82 65.893 -3.990 17.321 1.00 0.00 ATOM 656 NZ LYS 82 64.480 -4.267 16.932 1.00 0.00 ATOM 657 O LYS 82 70.102 0.191 17.269 1.00 0.00 ATOM 658 C LYS 82 70.142 -0.683 18.139 1.00 0.00 ATOM 659 N ASP 83 71.023 -1.675 18.115 1.00 0.00 ATOM 660 CA ASP 83 72.004 -1.772 17.040 1.00 0.00 ATOM 661 CB ASP 83 71.308 -2.014 15.694 1.00 0.00 ATOM 662 CG ASP 83 70.478 -3.292 15.682 1.00 0.00 ATOM 663 OD1 ASP 83 70.996 -4.347 16.108 1.00 0.00 ATOM 664 OD2 ASP 83 69.309 -3.245 15.241 1.00 0.00 ATOM 665 O ASP 83 73.088 0.063 15.907 1.00 0.00 ATOM 666 C ASP 83 72.825 -0.479 16.983 1.00 0.00 ATOM 667 N SER 84 73.203 0.011 18.161 1.00 0.00 ATOM 668 CA SER 84 74.017 1.220 18.323 1.00 0.00 ATOM 669 CB SER 84 75.447 0.950 17.857 1.00 0.00 ATOM 670 OG SER 84 75.491 0.828 16.449 1.00 0.00 ATOM 671 O SER 84 74.323 3.314 17.195 1.00 0.00 ATOM 672 C SER 84 73.520 2.499 17.649 1.00 0.00 ATOM 673 N LYS 85 72.206 2.678 17.582 1.00 0.00 ATOM 674 CA LYS 85 71.643 3.882 16.987 1.00 0.00 ATOM 675 CB LYS 85 71.545 3.740 15.465 1.00 0.00 ATOM 676 CG LYS 85 70.569 2.679 14.996 1.00 0.00 ATOM 677 CD LYS 85 70.484 2.631 13.474 1.00 0.00 ATOM 678 CE LYS 85 69.926 3.924 12.898 1.00 0.00 ATOM 679 NZ LYS 85 69.795 3.865 11.414 1.00 0.00 ATOM 680 O LYS 85 69.549 3.229 17.960 1.00 0.00 ATOM 681 C LYS 85 70.265 4.154 17.571 1.00 0.00 ATOM 682 N PRO 86 69.871 5.432 17.642 1.00 0.00 ATOM 683 CA PRO 86 68.551 5.748 18.198 1.00 0.00 ATOM 684 CB PRO 86 68.447 7.263 18.006 1.00 0.00 ATOM 685 CG PRO 86 69.398 7.546 16.869 1.00 0.00 ATOM 686 CD PRO 86 70.554 6.643 17.165 1.00 0.00 ATOM 687 O PRO 86 67.260 5.005 16.299 1.00 0.00 ATOM 688 C PRO 86 67.421 4.969 17.521 1.00 0.00 ATOM 689 N PHE 87 66.647 4.258 18.333 1.00 0.00 ATOM 690 CA PHE 87 65.546 3.448 17.831 1.00 0.00 ATOM 691 CB PHE 87 65.819 1.981 18.142 1.00 0.00 ATOM 692 CG PHE 87 64.709 1.065 17.736 1.00 0.00 ATOM 693 CD1 PHE 87 64.506 0.748 16.399 1.00 0.00 ATOM 694 CD2 PHE 87 63.856 0.525 18.692 1.00 0.00 ATOM 695 CE1 PHE 87 63.471 -0.095 16.016 1.00 0.00 ATOM 696 CE2 PHE 87 62.816 -0.318 18.323 1.00 0.00 ATOM 697 CZ PHE 87 62.622 -0.631 16.980 1.00 0.00 ATOM 698 O PHE 87 64.085 3.974 19.666 1.00 0.00 ATOM 699 C PHE 87 64.207 3.865 18.447 1.00 0.00 ATOM 700 N CYS 88 63.207 4.094 17.598 1.00 0.00 ATOM 701 CA CYS 88 61.884 4.506 18.061 1.00 0.00 ATOM 702 CB CYS 88 61.238 5.486 17.068 1.00 0.00 ATOM 703 SG CYS 88 62.045 7.096 16.880 1.00 0.00 ATOM 704 O CYS 88 60.836 2.444 17.423 1.00 0.00 ATOM 705 C CYS 88 60.924 3.336 18.261 1.00 0.00 ATOM 706 N HIS 89 60.214 3.354 19.388 1.00 0.00 ATOM 707 CA HIS 89 59.204 2.355 19.703 1.00 0.00 ATOM 708 CB HIS 89 59.503 1.634 21.012 1.00 0.00 ATOM 709 CG HIS 89 58.500 0.574 21.345 1.00 0.00 ATOM 710 CD2 HIS 89 57.457 0.085 20.633 1.00 0.00 ATOM 711 ND1 HIS 89 58.511 -0.120 22.536 1.00 0.00 ATOM 712 CE1 HIS 89 57.518 -0.989 22.543 1.00 0.00 ATOM 713 NE2 HIS 89 56.862 -0.887 21.400 1.00 0.00 ATOM 714 O HIS 89 57.801 3.892 20.878 1.00 0.00 ATOM 715 C HIS 89 57.947 3.191 19.881 1.00 0.00 ATOM 716 N ILE 90 57.036 3.110 18.923 1.00 0.00 ATOM 717 CA ILE 90 55.829 3.922 18.978 1.00 0.00 ATOM 718 CB ILE 90 55.860 4.999 17.870 1.00 0.00 ATOM 719 CG1 ILE 90 57.145 5.814 17.977 1.00 0.00 ATOM 720 CG2 ILE 90 54.619 5.894 17.969 1.00 0.00 ATOM 721 CD1 ILE 90 57.445 6.638 16.741 1.00 0.00 ATOM 722 O ILE 90 54.414 2.263 17.992 1.00 0.00 ATOM 723 C ILE 90 54.528 3.161 18.822 1.00 0.00 ATOM 724 N HIS 91 53.538 3.540 19.622 1.00 0.00 ATOM 725 CA HIS 91 52.222 2.936 19.537 1.00 0.00 ATOM 726 CB HIS 91 51.809 2.323 20.879 1.00 0.00 ATOM 727 CG HIS 91 52.380 0.957 21.115 1.00 0.00 ATOM 728 CD2 HIS 91 53.457 0.337 20.577 1.00 0.00 ATOM 729 ND1 HIS 91 51.811 0.049 21.982 1.00 0.00 ATOM 730 CE1 HIS 91 52.510 -1.072 21.966 1.00 0.00 ATOM 731 NE2 HIS 91 53.514 -0.923 21.121 1.00 0.00 ATOM 732 O HIS 91 51.440 5.199 19.530 1.00 0.00 ATOM 733 C HIS 91 51.266 4.046 19.130 1.00 0.00 ATOM 734 N VAL 92 50.268 3.713 18.322 1.00 0.00 ATOM 735 CA VAL 92 49.326 4.726 17.874 1.00 0.00 ATOM 736 CB VAL 92 49.654 5.235 16.446 1.00 0.00 ATOM 737 CG1 VAL 92 50.999 5.929 16.424 1.00 0.00 ATOM 738 CG2 VAL 92 49.617 4.060 15.459 1.00 0.00 ATOM 739 O VAL 92 47.570 3.088 17.888 1.00 0.00 ATOM 740 C VAL 92 47.890 4.276 17.814 1.00 0.00 ATOM 741 N LEU 93 47.035 5.278 17.673 1.00 0.00 ATOM 742 CA LEU 93 45.604 5.112 17.508 1.00 0.00 ATOM 743 CB LEU 93 44.859 5.565 18.761 1.00 0.00 ATOM 744 CG LEU 93 44.726 4.449 19.796 1.00 0.00 ATOM 745 CD1 LEU 93 45.059 4.961 21.185 1.00 0.00 ATOM 746 CD2 LEU 93 43.314 3.896 19.730 1.00 0.00 ATOM 747 O LEU 93 45.578 7.238 16.375 1.00 0.00 ATOM 748 C LEU 93 45.316 6.032 16.326 1.00 0.00 ATOM 749 N LEU 94 44.832 5.435 15.247 1.00 0.00 ATOM 750 CA LEU 94 44.519 6.155 14.018 1.00 0.00 ATOM 751 CB LEU 94 45.383 5.637 12.862 1.00 0.00 ATOM 752 CG LEU 94 46.857 6.012 12.689 1.00 0.00 ATOM 753 CD1 LEU 94 47.491 6.385 14.003 1.00 0.00 ATOM 754 CD2 LEU 94 47.577 4.836 12.037 1.00 0.00 ATOM 755 O LEU 94 42.509 4.869 14.005 1.00 0.00 ATOM 756 C LEU 94 43.066 5.913 13.673 1.00 0.00 ATOM 757 N GLY 95 42.452 6.871 12.993 1.00 0.00 ATOM 758 CA GLY 95 41.069 6.689 12.613 1.00 0.00 ATOM 759 O GLY 95 40.870 9.066 12.484 1.00 0.00 ATOM 760 C GLY 95 40.297 7.979 12.494 1.00 0.00 ATOM 761 N LYS 96 38.982 7.842 12.405 1.00 0.00 ATOM 762 CA LYS 96 38.087 8.978 12.276 1.00 0.00 ATOM 763 CB LYS 96 37.907 9.321 10.795 1.00 0.00 ATOM 764 CG LYS 96 37.367 8.168 9.966 1.00 0.00 ATOM 765 CD LYS 96 37.554 8.398 8.474 1.00 0.00 ATOM 766 CE LYS 96 39.013 8.232 8.068 1.00 0.00 ATOM 767 NZ LYS 96 39.189 8.254 6.587 1.00 0.00 ATOM 768 O LYS 96 36.227 7.505 12.639 1.00 0.00 ATOM 769 C LYS 96 36.756 8.586 12.908 1.00 0.00 ATOM 770 N ASP 97 36.230 9.468 13.754 1.00 0.00 ATOM 771 CA ASP 97 34.974 9.230 14.458 1.00 0.00 ATOM 772 CB ASP 97 33.792 9.313 13.496 1.00 0.00 ATOM 773 CG ASP 97 33.600 10.704 12.939 1.00 0.00 ATOM 774 OD1 ASP 97 33.872 11.681 13.673 1.00 0.00 ATOM 775 OD2 ASP 97 33.169 10.819 11.773 1.00 0.00 ATOM 776 O ASP 97 35.768 7.652 16.066 1.00 0.00 ATOM 777 C ASP 97 34.970 7.879 15.164 1.00 0.00 ATOM 778 N GLY 98 34.076 6.987 14.748 1.00 0.00 ATOM 779 CA GLY 98 33.993 5.676 15.366 1.00 0.00 ATOM 780 O GLY 98 34.878 3.466 15.153 1.00 0.00 ATOM 781 C GLY 98 34.859 4.616 14.708 1.00 0.00 ATOM 782 N GLU 99 35.562 4.992 13.642 1.00 0.00 ATOM 783 CA GLU 99 36.445 4.066 12.936 1.00 0.00 ATOM 784 CB GLU 99 36.496 4.403 11.444 1.00 0.00 ATOM 785 CG GLU 99 37.184 3.346 10.578 1.00 0.00 ATOM 786 CD GLU 99 37.425 3.823 9.153 1.00 0.00 ATOM 787 OE1 GLU 99 36.632 4.649 8.659 1.00 0.00 ATOM 788 OE2 GLU 99 38.400 3.368 8.520 1.00 0.00 ATOM 789 O GLU 99 38.573 5.138 13.180 1.00 0.00 ATOM 790 C GLU 99 37.830 4.225 13.541 1.00 0.00 ATOM 791 N VAL 100 38.178 3.340 14.468 1.00 0.00 ATOM 792 CA VAL 100 39.473 3.432 15.125 1.00 0.00 ATOM 793 CB VAL 100 39.307 3.792 16.615 1.00 0.00 ATOM 794 CG1 VAL 100 40.669 3.947 17.266 1.00 0.00 ATOM 795 CG2 VAL 100 38.494 5.077 16.749 1.00 0.00 ATOM 796 O VAL 100 39.801 1.057 15.183 1.00 0.00 ATOM 797 C VAL 100 40.308 2.164 15.025 1.00 0.00 ATOM 798 N TYR 101 41.599 2.353 14.770 1.00 0.00 ATOM 799 CA TYR 101 42.556 1.256 14.651 1.00 0.00 ATOM 800 CB TYR 101 43.130 1.195 13.236 1.00 0.00 ATOM 801 CG TYR 101 42.098 1.092 12.142 1.00 0.00 ATOM 802 CD1 TYR 101 41.471 -0.119 11.854 1.00 0.00 ATOM 803 CD2 TYR 101 41.762 2.205 11.375 1.00 0.00 ATOM 804 CE1 TYR 101 40.535 -0.217 10.822 1.00 0.00 ATOM 805 CE2 TYR 101 40.833 2.117 10.345 1.00 0.00 ATOM 806 CZ TYR 101 40.227 0.908 10.070 1.00 0.00 ATOM 807 OH TYR 101 39.340 0.821 9.033 1.00 0.00 ATOM 808 O TYR 101 43.898 2.775 15.908 1.00 0.00 ATOM 809 C TYR 101 43.680 1.602 15.612 1.00 0.00 ATOM 810 N GLY 102 44.393 0.597 16.107 1.00 0.00 ATOM 811 CA GLY 102 45.481 0.879 17.024 1.00 0.00 ATOM 812 O GLY 102 46.216 -1.376 16.764 1.00 0.00 ATOM 813 C GLY 102 46.515 -0.224 17.080 1.00 0.00 ATOM 814 N GLY 103 47.734 0.125 17.477 1.00 0.00 ATOM 815 CA GLY 103 48.776 -0.877 17.582 1.00 0.00 ATOM 816 O GLY 103 50.443 0.844 17.711 1.00 0.00 ATOM 817 C GLY 103 50.191 -0.353 17.548 1.00 0.00 ATOM 818 N HIS 104 51.119 -1.283 17.350 1.00 0.00 ATOM 819 CA HIS 104 52.534 -0.981 17.246 1.00 0.00 ATOM 820 CB HIS 104 53.332 -2.292 17.284 1.00 0.00 ATOM 821 CG HIS 104 54.815 -2.108 17.239 1.00 0.00 ATOM 822 CD2 HIS 104 55.656 -1.908 16.194 1.00 0.00 ATOM 823 ND1 HIS 104 55.601 -2.099 18.370 1.00 0.00 ATOM 824 CE1 HIS 104 56.862 -1.898 18.027 1.00 0.00 ATOM 825 NE2 HIS 104 56.920 -1.778 16.712 1.00 0.00 ATOM 826 O HIS 104 52.130 -0.800 14.883 1.00 0.00 ATOM 827 C HIS 104 52.670 -0.309 15.874 1.00 0.00 ATOM 828 N LEU 105 53.376 0.814 15.817 1.00 0.00 ATOM 829 CA LEU 105 53.544 1.533 14.560 1.00 0.00 ATOM 830 CB LEU 105 53.614 3.038 14.827 1.00 0.00 ATOM 831 CG LEU 105 53.860 3.934 13.616 1.00 0.00 ATOM 832 CD1 LEU 105 52.662 3.854 12.676 1.00 0.00 ATOM 833 CD2 LEU 105 54.083 5.369 14.086 1.00 0.00 ATOM 834 O LEU 105 55.887 1.077 14.370 1.00 0.00 ATOM 835 C LEU 105 54.795 1.095 13.808 1.00 0.00 ATOM 836 N PHE 106 54.631 0.752 12.534 1.00 0.00 ATOM 837 CA PHE 106 55.760 0.333 11.707 1.00 0.00 ATOM 838 CB PHE 106 55.419 -0.945 10.939 1.00 0.00 ATOM 839 CG PHE 106 55.365 -2.171 11.806 1.00 0.00 ATOM 840 CD1 PHE 106 56.533 -2.737 12.303 1.00 0.00 ATOM 841 CD2 PHE 106 54.149 -2.750 12.139 1.00 0.00 ATOM 842 CE1 PHE 106 56.491 -3.863 13.118 1.00 0.00 ATOM 843 CE2 PHE 106 54.097 -3.877 12.957 1.00 0.00 ATOM 844 CZ PHE 106 55.267 -4.433 13.446 1.00 0.00 ATOM 845 O PHE 106 57.297 1.777 10.575 1.00 0.00 ATOM 846 C PHE 106 56.122 1.440 10.736 1.00 0.00 ATOM 847 N SER 107 55.107 2.002 10.086 1.00 0.00 ATOM 848 CA SER 107 55.317 3.102 9.146 1.00 0.00 ATOM 849 CB SER 107 55.764 2.579 7.781 1.00 0.00 ATOM 850 OG SER 107 54.695 1.914 7.122 1.00 0.00 ATOM 851 O SER 107 52.931 3.407 9.176 1.00 0.00 ATOM 852 C SER 107 54.038 3.906 8.959 1.00 0.00 ATOM 853 N ALA 108 54.209 5.156 8.546 1.00 0.00 ATOM 854 CA ALA 108 53.092 6.045 8.294 1.00 0.00 ATOM 855 CB ALA 108 52.553 6.613 9.599 1.00 0.00 ATOM 856 O ALA 108 54.582 7.795 7.613 1.00 0.00 ATOM 857 C ALA 108 53.545 7.174 7.387 1.00 0.00 ATOM 858 N GLU 109 52.770 7.416 6.340 1.00 0.00 ATOM 859 CA GLU 109 53.072 8.497 5.421 1.00 0.00 ATOM 860 CB GLU 109 52.441 8.235 4.063 1.00 0.00 ATOM 861 CG GLU 109 52.898 9.191 2.985 1.00 0.00 ATOM 862 CD GLU 109 52.286 8.864 1.640 1.00 0.00 ATOM 863 OE1 GLU 109 52.279 7.668 1.272 1.00 0.00 ATOM 864 OE2 GLU 109 51.819 9.798 0.951 1.00 0.00 ATOM 865 O GLU 109 51.251 9.703 6.378 1.00 0.00 ATOM 866 C GLU 109 52.435 9.715 6.061 1.00 0.00 ATOM 867 N VAL 110 53.225 10.760 6.258 1.00 0.00 ATOM 868 CA VAL 110 52.723 11.975 6.881 1.00 0.00 ATOM 869 CB VAL 110 53.884 12.813 7.433 1.00 0.00 ATOM 870 CG1 VAL 110 53.365 14.161 7.917 1.00 0.00 ATOM 871 CG2 VAL 110 54.573 12.070 8.554 1.00 0.00 ATOM 872 O VAL 110 52.210 13.123 4.817 1.00 0.00 ATOM 873 C VAL 110 51.886 12.902 5.992 1.00 0.00 ATOM 874 N PHE 111 50.809 13.438 6.569 1.00 0.00 ATOM 875 CA PHE 111 49.972 14.411 5.883 1.00 0.00 ATOM 876 CB PHE 111 48.482 14.155 6.104 1.00 0.00 ATOM 877 CG PHE 111 47.598 15.184 5.443 1.00 0.00 ATOM 878 CD1 PHE 111 47.460 15.215 4.056 1.00 0.00 ATOM 879 CD2 PHE 111 46.967 16.163 6.195 1.00 0.00 ATOM 880 CE1 PHE 111 46.712 16.205 3.430 1.00 0.00 ATOM 881 CE2 PHE 111 46.212 17.167 5.581 1.00 0.00 ATOM 882 CZ PHE 111 46.086 17.189 4.193 1.00 0.00 ATOM 883 O PHE 111 50.829 16.666 5.924 1.00 0.00 ATOM 884 C PHE 111 50.368 15.716 6.567 1.00 0.00 ATOM 885 N ALA 112 50.187 15.739 7.886 1.00 0.00 ATOM 886 CA ALA 112 50.556 16.870 8.734 1.00 0.00 ATOM 887 CB ALA 112 49.428 17.900 8.804 1.00 0.00 ATOM 888 O ALA 112 49.927 15.635 10.693 1.00 0.00 ATOM 889 C ALA 112 50.812 16.269 10.110 1.00 0.00 ATOM 890 N CYS 113 52.024 16.455 10.624 1.00 0.00 ATOM 891 CA CYS 113 52.374 15.892 11.920 1.00 0.00 ATOM 892 CB CYS 113 53.123 14.572 11.719 1.00 0.00 ATOM 893 SG CYS 113 53.435 13.646 13.239 1.00 0.00 ATOM 894 O CYS 113 54.214 17.364 12.338 1.00 0.00 ATOM 895 C CYS 113 53.209 16.827 12.781 1.00 0.00 ATOM 896 N GLU 114 52.768 17.017 14.019 1.00 0.00 ATOM 897 CA GLU 114 53.454 17.869 14.973 1.00 0.00 ATOM 898 CB GLU 114 52.489 18.947 15.490 1.00 0.00 ATOM 899 CG GLU 114 51.831 19.722 14.336 1.00 0.00 ATOM 900 CD GLU 114 50.830 20.802 14.766 1.00 0.00 ATOM 901 OE1 GLU 114 50.230 20.697 15.855 1.00 0.00 ATOM 902 OE2 GLU 114 50.627 21.755 13.984 1.00 0.00 ATOM 903 O GLU 114 53.101 16.299 16.758 1.00 0.00 ATOM 904 C GLU 114 53.911 16.926 16.078 1.00 0.00 ATOM 905 N VAL 115 55.224 16.828 16.238 1.00 0.00 ATOM 906 CA VAL 115 55.813 15.923 17.207 1.00 0.00 ATOM 907 CB VAL 115 56.898 15.036 16.529 1.00 0.00 ATOM 908 CG1 VAL 115 57.360 13.943 17.481 1.00 0.00 ATOM 909 CG2 VAL 115 56.356 14.443 15.239 1.00 0.00 ATOM 910 O VAL 115 57.109 17.675 18.197 1.00 0.00 ATOM 911 C VAL 115 56.466 16.641 18.374 1.00 0.00 ATOM 912 N PHE 116 56.289 16.095 19.570 1.00 0.00 ATOM 913 CA PHE 116 56.923 16.670 20.743 1.00 0.00 ATOM 914 CB PHE 116 55.945 16.824 21.910 1.00 0.00 ATOM 915 CG PHE 116 56.606 17.263 23.193 1.00 0.00 ATOM 916 CD1 PHE 116 57.417 18.396 23.221 1.00 0.00 ATOM 917 CD2 PHE 116 56.429 16.541 24.370 1.00 0.00 ATOM 918 CE1 PHE 116 58.049 18.801 24.394 1.00 0.00 ATOM 919 CE2 PHE 116 57.053 16.936 25.547 1.00 0.00 ATOM 920 CZ PHE 116 57.865 18.070 25.562 1.00 0.00 ATOM 921 O PHE 116 57.715 14.504 21.351 1.00 0.00 ATOM 922 C PHE 116 57.999 15.679 21.132 1.00 0.00 ATOM 923 N VAL 117 59.236 16.143 21.189 1.00 0.00 ATOM 924 CA VAL 117 60.336 15.269 21.566 1.00 0.00 ATOM 925 CB VAL 117 61.412 15.223 20.474 1.00 0.00 ATOM 926 CG1 VAL 117 62.569 14.344 20.922 1.00 0.00 ATOM 927 CG2 VAL 117 60.808 14.702 19.181 1.00 0.00 ATOM 928 O VAL 117 61.372 16.927 22.943 1.00 0.00 ATOM 929 C VAL 117 60.956 15.774 22.857 1.00 0.00 ATOM 930 N LEU 118 61.001 14.908 23.863 1.00 0.00 ATOM 931 CA LEU 118 61.578 15.267 25.153 1.00 0.00 ATOM 932 CB LEU 118 60.572 15.001 26.280 1.00 0.00 ATOM 933 CG LEU 118 60.961 15.438 27.695 1.00 0.00 ATOM 934 CD1 LEU 118 61.006 16.957 27.780 1.00 0.00 ATOM 935 CD2 LEU 118 59.947 14.904 28.682 1.00 0.00 ATOM 936 O LEU 118 62.731 13.273 25.822 1.00 0.00 ATOM 937 C LEU 118 62.820 14.417 25.361 1.00 0.00 ATOM 938 N PRO 119 63.998 14.952 24.995 1.00 0.00 ATOM 939 CA PRO 119 65.238 14.190 25.167 1.00 0.00 ATOM 940 CB PRO 119 66.295 15.097 24.533 1.00 0.00 ATOM 941 CG PRO 119 65.728 16.475 24.737 1.00 0.00 ATOM 942 CD PRO 119 64.271 16.277 24.408 1.00 0.00 ATOM 943 O PRO 119 65.185 14.717 27.515 1.00 0.00 ATOM 944 C PRO 119 65.508 13.906 26.643 1.00 0.00 ATOM 945 N LEU 120 66.084 12.740 26.913 1.00 0.00 ATOM 946 CA LEU 120 66.397 12.343 28.275 1.00 0.00 ATOM 947 CB LEU 120 65.658 11.045 28.618 1.00 0.00 ATOM 948 CG LEU 120 64.132 11.184 28.579 1.00 0.00 ATOM 949 CD1 LEU 120 63.467 9.814 28.593 1.00 0.00 ATOM 950 CD2 LEU 120 63.679 12.018 29.759 1.00 0.00 ATOM 951 O LEU 120 68.487 11.306 27.691 1.00 0.00 ATOM 952 C LEU 120 67.903 12.156 28.377 1.00 0.00 ATOM 953 N SER 121 68.525 12.975 29.220 1.00 0.00 ATOM 954 CA SER 121 69.969 12.940 29.434 1.00 0.00 ATOM 955 CB SER 121 70.461 14.349 29.790 1.00 0.00 ATOM 956 OG SER 121 71.808 14.348 30.227 1.00 0.00 ATOM 957 O SER 121 70.025 12.128 31.706 1.00 0.00 ATOM 958 C SER 121 70.355 11.944 30.536 1.00 0.00 ATOM 959 N GLY 122 71.059 10.887 30.147 1.00 0.00 ATOM 960 CA GLY 122 71.483 9.870 31.096 1.00 0.00 ATOM 961 O GLY 122 71.965 8.712 29.075 1.00 0.00 ATOM 962 C GLY 122 71.863 8.641 30.298 1.00 0.00 ATOM 963 N GLU 123 72.079 7.515 30.964 1.00 0.00 ATOM 964 CA GLU 123 72.439 6.298 30.241 1.00 0.00 ATOM 965 CB GLU 123 72.917 5.222 31.214 1.00 0.00 ATOM 966 CG GLU 123 74.159 5.614 31.986 1.00 0.00 ATOM 967 CD GLU 123 75.296 6.029 31.070 1.00 0.00 ATOM 968 OE1 GLU 123 75.475 5.375 30.022 1.00 0.00 ATOM 969 OE2 GLU 123 76.017 6.996 31.399 1.00 0.00 ATOM 970 O GLU 123 70.216 5.442 30.023 1.00 0.00 ATOM 971 C GLU 123 71.240 5.787 29.452 1.00 0.00 ATOM 972 N ALA 124 71.374 5.743 28.132 1.00 0.00 ATOM 973 CA ALA 124 70.295 5.278 27.273 1.00 0.00 ATOM 974 CB ALA 124 70.579 5.666 25.819 1.00 0.00 ATOM 975 O ALA 124 71.038 2.995 27.345 1.00 0.00 ATOM 976 C ALA 124 70.084 3.772 27.366 1.00 0.00 ATOM 977 N PRO 125 68.822 3.340 27.490 1.00 0.00 ATOM 978 CA PRO 125 68.579 1.899 27.571 1.00 0.00 ATOM 979 CB PRO 125 67.121 1.813 28.010 1.00 0.00 ATOM 980 CG PRO 125 66.519 3.064 27.465 1.00 0.00 ATOM 981 CD PRO 125 67.583 4.103 27.718 1.00 0.00 ATOM 982 O PRO 125 68.547 1.848 25.163 1.00 0.00 ATOM 983 C PRO 125 68.834 1.254 26.210 1.00 0.00 ATOM 984 N GLU 126 69.402 0.052 26.238 1.00 0.00 ATOM 985 CA GLU 126 69.707 -0.681 25.023 1.00 0.00 ATOM 986 CB GLU 126 71.143 -1.201 25.064 1.00 0.00 ATOM 987 CG GLU 126 72.201 -0.135 25.278 1.00 0.00 ATOM 988 CD GLU 126 73.605 -0.695 25.170 1.00 0.00 ATOM 989 OE1 GLU 126 73.945 -1.206 24.081 1.00 0.00 ATOM 990 OE2 GLU 126 74.361 -0.632 26.164 1.00 0.00 ATOM 991 O GLU 126 68.425 -2.513 25.888 1.00 0.00 ATOM 992 C GLU 126 68.748 -1.854 24.897 1.00 0.00 ATOM 993 N ARG 127 68.296 -2.114 23.679 1.00 0.00 ATOM 994 CA ARG 127 67.374 -3.210 23.436 1.00 0.00 ATOM 995 CB ARG 127 66.381 -2.828 22.332 1.00 0.00 ATOM 996 CG ARG 127 65.352 -1.787 22.769 1.00 0.00 ATOM 997 CD ARG 127 64.368 -1.430 21.662 1.00 0.00 ATOM 998 NE ARG 127 63.450 -0.376 22.091 1.00 0.00 ATOM 999 CZ ARG 127 62.463 -0.553 22.963 1.00 0.00 ATOM 1000 NH1 ARG 127 62.253 -1.749 23.498 1.00 0.00 ATOM 1001 NH2 ARG 127 61.692 0.470 23.312 1.00 0.00 ATOM 1002 O ARG 127 68.901 -4.528 22.125 1.00 0.00 ATOM 1003 C ARG 127 68.107 -4.496 23.066 1.00 0.00 ATOM 1004 N ALA 128 67.847 -5.551 23.830 1.00 0.00 ATOM 1005 CA ALA 128 68.459 -6.855 23.585 1.00 0.00 ATOM 1006 CB ALA 128 69.489 -7.175 24.671 1.00 0.00 ATOM 1007 O ALA 128 66.325 -7.728 24.257 1.00 0.00 ATOM 1008 C ALA 128 67.347 -7.898 23.585 1.00 0.00 ATOM 1009 N PHE 129 67.539 -8.971 22.826 1.00 0.00 ATOM 1010 CA PHE 129 66.531 -10.015 22.756 1.00 0.00 ATOM 1011 CB PHE 129 67.013 -11.177 21.892 1.00 0.00 ATOM 1012 CG PHE 129 65.966 -12.237 21.672 1.00 0.00 ATOM 1013 CD1 PHE 129 64.931 -12.034 20.768 1.00 0.00 ATOM 1014 CD2 PHE 129 66.007 -13.431 22.379 1.00 0.00 ATOM 1015 CE1 PHE 129 63.954 -13.009 20.567 1.00 0.00 ATOM 1016 CE2 PHE 129 65.034 -14.411 22.184 1.00 0.00 ATOM 1017 CZ PHE 129 64.008 -14.198 21.278 1.00 0.00 ATOM 1018 O PHE 129 67.062 -10.833 24.961 1.00 0.00 ATOM 1019 C PHE 129 66.182 -10.550 24.144 1.00 0.00 ATOM 1020 N ASP 130 64.888 -10.681 24.401 1.00 0.00 ATOM 1021 CA ASP 130 64.410 -11.206 25.666 1.00 0.00 ATOM 1022 CB ASP 130 63.456 -10.218 26.324 1.00 0.00 ATOM 1023 CG ASP 130 62.833 -10.775 27.576 1.00 0.00 ATOM 1024 OD1 ASP 130 63.555 -10.933 28.584 1.00 0.00 ATOM 1025 OD2 ASP 130 61.621 -11.069 27.544 1.00 0.00 ATOM 1026 O ASP 130 62.722 -12.535 24.598 1.00 0.00 ATOM 1027 C ASP 130 63.681 -12.513 25.364 1.00 0.00 ATOM 1028 N GLU 131 64.151 -13.599 25.967 1.00 0.00 ATOM 1029 CA GLU 131 63.573 -14.927 25.758 1.00 0.00 ATOM 1030 CB GLU 131 64.407 -15.964 26.522 1.00 0.00 ATOM 1031 CG GLU 131 63.958 -17.416 26.373 1.00 0.00 ATOM 1032 CD GLU 131 64.307 -18.017 25.020 1.00 0.00 ATOM 1033 OE1 GLU 131 65.481 -17.906 24.600 1.00 0.00 ATOM 1034 OE2 GLU 131 63.412 -18.613 24.382 1.00 0.00 ATOM 1035 O GLU 131 61.277 -15.614 25.468 1.00 0.00 ATOM 1036 C GLU 131 62.104 -15.031 26.178 1.00 0.00 ATOM 1037 N GLN 132 61.785 -14.458 27.331 1.00 0.00 ATOM 1038 CA GLN 132 60.429 -14.503 27.872 1.00 0.00 ATOM 1039 CB GLN 132 60.370 -13.700 29.173 1.00 0.00 ATOM 1040 CG GLN 132 59.204 -14.058 30.080 1.00 0.00 ATOM 1041 CD GLN 132 59.339 -13.446 31.461 1.00 0.00 ATOM 1042 OE1 GLN 132 58.868 -14.014 32.447 1.00 0.00 ATOM 1043 NE2 GLN 132 59.979 -12.277 31.541 1.00 0.00 ATOM 1044 O GLN 132 58.331 -14.650 26.728 1.00 0.00 ATOM 1045 C GLN 132 59.356 -13.995 26.918 1.00 0.00 ATOM 1046 N THR 133 59.587 -12.835 26.314 1.00 0.00 ATOM 1047 CA THR 133 58.601 -12.249 25.408 1.00 0.00 ATOM 1048 CB THR 133 58.439 -10.741 25.680 1.00 0.00 ATOM 1049 CG2 THR 133 57.979 -10.499 27.129 1.00 0.00 ATOM 1050 OG1 THR 133 59.692 -10.082 25.459 1.00 0.00 ATOM 1051 O THR 133 57.966 -12.351 23.098 1.00 0.00 ATOM 1052 C THR 133 58.886 -12.425 23.916 1.00 0.00 ATOM 1053 N GLY 134 60.152 -12.657 23.569 1.00 0.00 ATOM 1054 CA GLY 134 60.535 -12.818 22.172 1.00 0.00 ATOM 1055 O GLY 134 60.813 -11.273 20.348 1.00 0.00 ATOM 1056 C GLY 134 60.686 -11.440 21.559 1.00 0.00 ATOM 1057 N LEU 135 60.674 -10.446 22.437 1.00 0.00 ATOM 1058 CA LEU 135 60.778 -9.042 22.073 1.00 0.00 ATOM 1059 CB LEU 135 59.783 -8.258 22.930 1.00 0.00 ATOM 1060 CG LEU 135 58.794 -7.251 22.351 1.00 0.00 ATOM 1061 CD1 LEU 135 58.169 -7.766 21.063 1.00 0.00 ATOM 1062 CD2 LEU 135 57.719 -7.000 23.407 1.00 0.00 ATOM 1063 O LEU 135 62.988 -9.263 22.984 1.00 0.00 ATOM 1064 C LEU 135 62.196 -8.555 22.363 1.00 0.00 ATOM 1065 N PHE 136 62.518 -7.352 21.904 1.00 0.00 ATOM 1066 CA PHE 136 63.826 -6.773 22.177 1.00 0.00 ATOM 1067 CB PHE 136 64.413 -6.123 20.924 1.00 0.00 ATOM 1068 CG PHE 136 65.003 -7.105 19.955 1.00 0.00 ATOM 1069 CD1 PHE 136 64.207 -7.744 19.015 1.00 0.00 ATOM 1070 CD2 PHE 136 66.359 -7.407 19.999 1.00 0.00 ATOM 1071 CE1 PHE 136 64.751 -8.673 18.128 1.00 0.00 ATOM 1072 CE2 PHE 136 66.916 -8.333 19.121 1.00 0.00 ATOM 1073 CZ PHE 136 66.109 -8.968 18.182 1.00 0.00 ATOM 1074 O PHE 136 63.269 -4.578 22.966 1.00 0.00 ATOM 1075 C PHE 136 63.611 -5.725 23.261 1.00 0.00 ATOM 1076 N LEU 137 63.810 -6.129 24.514 1.00 0.00 ATOM 1077 CA LEU 137 63.604 -5.247 25.661 1.00 0.00 ATOM 1078 CB LEU 137 62.847 -6.007 26.754 1.00 0.00 ATOM 1079 CG LEU 137 61.580 -6.696 26.228 1.00 0.00 ATOM 1080 CD1 LEU 137 60.793 -7.325 27.381 1.00 0.00 ATOM 1081 CD2 LEU 137 60.726 -5.683 25.493 1.00 0.00 ATOM 1082 O LEU 137 65.983 -5.112 25.947 1.00 0.00 ATOM 1083 C LEU 137 64.882 -4.645 26.231 1.00 0.00 ATOM 1084 N TRP 138 64.724 -3.604 27.044 1.00 0.00 ATOM 1085 CA TRP 138 65.860 -2.911 27.644 1.00 0.00 ATOM 1086 CB TRP 138 65.388 -1.634 28.344 1.00 0.00 ATOM 1087 CG TRP 138 64.768 -0.642 27.411 1.00 0.00 ATOM 1088 CD1 TRP 138 65.132 -0.396 26.120 1.00 0.00 ATOM 1089 CD2 TRP 138 63.714 0.286 27.713 1.00 0.00 ATOM 1090 CE2 TRP 138 63.494 1.063 26.553 1.00 0.00 ATOM 1091 CE3 TRP 138 62.932 0.534 28.852 1.00 0.00 ATOM 1092 NE1 TRP 138 64.375 0.624 25.598 1.00 0.00 ATOM 1093 CZ2 TRP 138 62.532 2.079 26.492 1.00 0.00 ATOM 1094 CZ3 TRP 138 61.969 1.547 28.795 1.00 0.00 ATOM 1095 CH2 TRP 138 61.780 2.305 27.618 1.00 0.00 ATOM 1096 O TRP 138 66.110 -4.440 29.484 1.00 0.00 ATOM 1097 C TRP 138 66.665 -3.763 28.619 1.00 0.00 ATOM 1098 N LEU 139 67.984 -3.709 28.480 1.00 0.00 ATOM 1099 CA LEU 139 68.879 -4.469 29.341 1.00 0.00 ATOM 1100 CB LEU 139 69.957 -5.144 28.494 1.00 0.00 ATOM 1101 CG LEU 139 70.764 -6.264 29.151 1.00 0.00 ATOM 1102 CD1 LEU 139 69.817 -7.346 29.658 1.00 0.00 ATOM 1103 CD2 LEU 139 71.750 -6.840 28.140 1.00 0.00 ATOM 1104 O LEU 139 69.418 -3.741 31.563 1.00 0.00 ATOM 1105 C LEU 139 69.518 -3.530 30.354 1.00 0.00 ATOM 1106 N GLU 140 70.176 -2.493 29.845 1.00 0.00 ATOM 1107 CA GLU 140 70.831 -1.490 30.679 1.00 0.00 ATOM 1108 CB GLU 140 71.914 -2.128 31.563 1.00 0.00 ATOM 1109 CG GLU 140 73.076 -2.769 30.817 1.00 0.00 ATOM 1110 CD GLU 140 74.136 -3.316 31.762 1.00 0.00 ATOM 1111 OE1 GLU 140 73.802 -4.190 32.590 1.00 0.00 ATOM 1112 OE2 GLU 140 75.302 -2.873 31.677 1.00 0.00 ATOM 1113 O GLU 140 71.195 -0.430 28.581 1.00 0.00 ATOM 1114 C GLU 140 71.442 -0.396 29.805 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 T0312.undertaker-align.pdb looking for model 1 WARNING: atoms too close: (T0312)G34.C and (T0312)I35.C only 0 apart, marking (T0312)I35.C as missing WARNING: atoms too close: (T0312)I35.N and (T0312)H36.N only 0 apart, marking (T0312)I35.N as missing WARNING: atoms too close: (T0312)I35.CA and (T0312)H36.CA only 0 apart, marking (T0312)I35.CA as missing WARNING: atoms too close: (T0312)S121.C and (T0312)E123.C only 0 apart, marking (T0312)E123.C as missing WARNING: atoms too close: (T0312)G122.N and (T0312)A124.N only 0 apart, marking (T0312)G122.N as missing WARNING: atoms too close: (T0312)G122.CA and (T0312)A124.CA only 0 apart, marking (T0312)G122.CA as missing # WARNING: incomplete conformation T0312 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 = 0.843 # GDT_score = -44.286 # GDT_score(maxd=8.000,maxw=2.900)= -43.097 # GDT_score(maxd=8.000,maxw=3.200)= -41.181 # GDT_score(maxd=8.000,maxw=3.500)= -39.144 # GDT_score(maxd=10.000,maxw=3.800)= -42.538 # GDT_score(maxd=10.000,maxw=4.000)= -41.135 # GDT_score(maxd=10.000,maxw=4.200)= -39.805 # GDT_score(maxd=12.000,maxw=4.300)= -43.452 # GDT_score(maxd=12.000,maxw=4.500)= -42.096 # GDT_score(maxd=12.000,maxw=4.700)= -40.811 # GDT_score(maxd=14.000,maxw=5.200)= -41.062 # GDT_score(maxd=14.000,maxw=5.500)= -39.313 # command:# ReadConformPDB reading from PDB file T0312.undertaker-align.pdb looking for model 2 WARNING: atoms too close: (T0312)H36.C and (T0312)A45.C only 0 apart, marking (T0312)A45.C as missing WARNING: atoms too close: (T0312)A37.N and (T0312)V46.N only 0 apart, marking (T0312)A37.N as missing WARNING: atoms too close: (T0312)A37.CA and (T0312)V46.CA only 0 apart, marking (T0312)A37.CA as missing WARNING: atoms too close: (T0312)D55.C and (T0312)K63.C only 0 apart, marking (T0312)K63.C as missing WARNING: atoms too close: (T0312)Q56.N and (T0312)K64.N only 0 apart, marking (T0312)Q56.N as missing WARNING: atoms too close: (T0312)Q56.CA and (T0312)K64.CA only 0 apart, marking (T0312)Q56.CA as missing # WARNING: incomplete conformation T0312 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 = 0.357 # GDT_score = -16.964 # GDT_score(maxd=8.000,maxw=2.900)= -17.970 # GDT_score(maxd=8.000,maxw=3.200)= -17.060 # GDT_score(maxd=8.000,maxw=3.500)= -16.201 # GDT_score(maxd=10.000,maxw=3.800)= -16.808 # GDT_score(maxd=10.000,maxw=4.000)= -16.289 # GDT_score(maxd=10.000,maxw=4.200)= -15.820 # GDT_score(maxd=12.000,maxw=4.300)= -16.813 # GDT_score(maxd=12.000,maxw=4.500)= -16.352 # GDT_score(maxd=12.000,maxw=4.700)= -15.930 # GDT_score(maxd=14.000,maxw=5.200)= -16.005 # GDT_score(maxd=14.000,maxw=5.500)= -15.371 # command:# ReadConformPDB reading from PDB file T0312.undertaker-align.pdb looking for model 3 # WARNING: incomplete conformation T0312 can't currently be optimized by undertaker # command:# naming current conformation align3 # command:# ReadConformPDB reading from PDB file T0312.undertaker-align.pdb looking for model 4 # WARNING: incomplete conformation T0312 can't currently be optimized by undertaker # command:# naming current conformation align4 # command:# ReadConformPDB reading from PDB file T0312.undertaker-align.pdb looking for model 5 WARNING: atoms too close: (T0312)V62.C and (T0312)K64.C only 0 apart, marking (T0312)K64.C as missing WARNING: atoms too close: (T0312)K63.N and (T0312)E65.N only 0 apart, marking (T0312)K63.N as missing WARNING: atoms too close: (T0312)K63.CA and (T0312)E65.CA only 0 apart, marking (T0312)K63.CA as missing WARNING: atoms too close: (T0312)H104.C and (T0312)F106.C only 0 apart, marking (T0312)F106.C as missing WARNING: atoms too close: (T0312)L105.N and (T0312)S107.N only 0 apart, marking (T0312)L105.N as missing WARNING: atoms too close: (T0312)L105.CA and (T0312)S107.CA only 0 apart, marking (T0312)L105.CA as missing # WARNING: incomplete conformation T0312 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 142 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file ../model2.ts-submitted looking for model 1 # Found a chain break before 142 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file ../model3.ts-submitted looking for model 1 # Found a chain break before 131 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file ../model4.ts-submitted looking for model 1 # Found a chain break before 132 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file ../model5.ts-submitted looking for model 1 # Found a chain break before 142 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0312.try1-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 145 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0312.try1-opt1.pdb.gz looking for model 1 # Found a chain break before 145 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0312.try1-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 95 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0312.try1-opt2.pdb.gz looking for model 1 # Found a chain break before 145 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0312.try1-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 145 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0312.try10-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 142 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0312.try10-opt1.pdb.gz looking for model 1 # Found a chain break before 142 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0312.try10-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 68 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0312.try10-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 68 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0312.try10-opt2.pdb.gz looking for model 1 # Found a chain break before 142 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0312.try10-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 142 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0312.try11-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 142 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0312.try11-opt1.pdb.gz looking for model 1 # Found a chain break before 142 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0312.try11-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 96 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0312.try11-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 96 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0312.try11-opt2.pdb.gz looking for model 1 # Found a chain break before 142 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0312.try11-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 142 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0312.try12-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 139 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0312.try12-opt1.pdb.gz looking for model 1 # Found a chain break before 139 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0312.try12-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 99 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0312.try12-opt2.pdb.gz looking for model 1 # Found a chain break before 139 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0312.try12-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 139 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0312.try13-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 142 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0312.try13-opt1.pdb.gz looking for model 1 # Found a chain break before 142 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0312.try13-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 35 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0312.try13-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 35 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0312.try13-opt2.pdb.gz looking for model 1 # Found a chain break before 142 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0312.try13-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 142 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0312.try14-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 140 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0312.try14-opt1.pdb.gz looking for model 1 # Found a chain break before 140 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0312.try14-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 128 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0312.try14-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 128 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0312.try14-opt2.pdb.gz looking for model 1 # Found a chain break before 140 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0312.try14-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 140 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0312.try15-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 142 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0312.try15-opt1.pdb.gz looking for model 1 # Found a chain break before 142 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0312.try15-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 100 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0312.try15-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 100 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0312.try15-opt2.pdb.gz looking for model 1 # Found a chain break before 142 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0312.try15-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 142 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0312.try16-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 142 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0312.try16-opt1.pdb.gz looking for model 1 # Found a chain break before 142 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0312.try16-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 130 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0312.try16-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 130 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0312.try16-opt2.pdb.gz looking for model 1 # Found a chain break before 142 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0312.try16-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 142 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0312.try17-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 142 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0312.try17-opt1.pdb.gz looking for model 1 # Found a chain break before 142 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0312.try17-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 134 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0312.try17-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 134 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0312.try17-opt2.pdb.gz looking for model 1 # Found a chain break before 142 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0312.try17-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 142 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0312.try18-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 142 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0312.try18-opt1.pdb.gz looking for model 1 # Found a chain break before 142 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0312.try18-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 142 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0312.try18-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 142 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0312.try18-opt2.pdb.gz looking for model 1 # Found a chain break before 142 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0312.try18-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 142 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0312.try2-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 134 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0312.try2-opt1.pdb.gz looking for model 1 # Found a chain break before 134 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0312.try2-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 87 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0312.try2-opt2.pdb.gz looking for model 1 # Found a chain break before 142 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0312.try2-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 142 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0312.try3-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 142 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0312.try3-opt1.pdb.gz looking for model 1 # Found a chain break before 142 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0312.try3-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 140 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0312.try3-opt2.pdb.gz looking for model 1 # Found a chain break before 142 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0312.try3-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 142 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0312.try4-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 142 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0312.try4-opt1.pdb.gz looking for model 1 # Found a chain break before 142 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0312.try4-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 66 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0312.try4-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 66 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0312.try4-opt2.pdb.gz looking for model 1 # Found a chain break before 142 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0312.try4-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 142 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0312.try5-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 139 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0312.try5-opt1.pdb.gz looking for model 1 # Found a chain break before 139 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0312.try5-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 86 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0312.try5-opt2.pdb.gz looking for model 1 # Found a chain break before 141 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0312.try5-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 141 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0312.try6-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 138 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0312.try6-opt1.pdb.gz looking for model 1 # Found a chain break before 138 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0312.try6-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 102 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0312.try6-opt2.pdb.gz looking for model 1 # Found a chain break before 141 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0312.try6-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 141 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0312.try7-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 138 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0312.try7-opt1.pdb.gz looking for model 1 # Found a chain break before 138 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0312.try7-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 100 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0312.try7-opt2.pdb.gz looking for model 1 # Found a chain break before 138 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0312.try7-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 138 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0312.try8-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 137 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0312.try8-opt1.pdb.gz looking for model 1 # Found a chain break before 137 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0312.try8-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 102 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0312.try8-opt2.pdb.gz looking for model 1 # Found a chain break before 132 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0312.try8-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 132 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0312.try9-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 131 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0312.try9-opt1.pdb.gz looking for model 1 # Found a chain break before 131 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0312.try9-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 100 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0312.try9-opt2.pdb.gz looking for model 1 # Found a chain break before 131 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0312.try9-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 131 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file chimera-try9-try4.pdb.gz looking for model 1 # Found a chain break before 142 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file scrambled-loop.pdb.gz looking for model 1 # Found a chain break before 100 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file servers/3D-JIGSAW_POPULUS_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0312 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_POPULUS_TS1 # request to SCWRL produces command: ulimit -t 132 ; scwrl3 -i /var/tmp/to_scwrl_1862258215.pdb -s /var/tmp/to_scwrl_1862258215.seq -o /var/tmp/from_scwrl_1862258215.pdb > /var/tmp/scwrl_1862258215.log sh: /var/tmp/scwrl_1862258215.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1862258215.pdb or /var/tmp/from_scwrl_1862258215.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1862258215_b.pdb or decoys//var/tmp/from_scwrl_1862258215_b.pdb.gz for input Trying /var/tmp/from_scwrl_1862258215_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1862258215_b.pdb or /var/tmp/from_scwrl_1862258215_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1862258215_a.pdb or decoys//var/tmp/from_scwrl_1862258215_a.pdb.gz for input Trying /var/tmp/from_scwrl_1862258215_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1862258215_a.pdb or /var/tmp/from_scwrl_1862258215_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1862258215.pdb or /var/tmp/from_scwrl_1862258215_b.pdb or /var/tmp/from_scwrl_1862258215_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 T0312 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_POPULUS_TS2 # request to SCWRL produces command: ulimit -t 132 ; scwrl3 -i /var/tmp/to_scwrl_1363615398.pdb -s /var/tmp/to_scwrl_1363615398.seq -o /var/tmp/from_scwrl_1363615398.pdb > /var/tmp/scwrl_1363615398.log sh: /var/tmp/scwrl_1363615398.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1363615398.pdb or /var/tmp/from_scwrl_1363615398.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1363615398_b.pdb or decoys//var/tmp/from_scwrl_1363615398_b.pdb.gz for input Trying /var/tmp/from_scwrl_1363615398_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1363615398_b.pdb or /var/tmp/from_scwrl_1363615398_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1363615398_a.pdb or decoys//var/tmp/from_scwrl_1363615398_a.pdb.gz for input Trying /var/tmp/from_scwrl_1363615398_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1363615398_a.pdb or /var/tmp/from_scwrl_1363615398_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1363615398.pdb or /var/tmp/from_scwrl_1363615398_b.pdb or /var/tmp/from_scwrl_1363615398_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 T0312 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_POPULUS_TS3 # request to SCWRL produces command: ulimit -t 132 ; scwrl3 -i /var/tmp/to_scwrl_1456839403.pdb -s /var/tmp/to_scwrl_1456839403.seq -o /var/tmp/from_scwrl_1456839403.pdb > /var/tmp/scwrl_1456839403.log sh: /var/tmp/scwrl_1456839403.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1456839403.pdb or /var/tmp/from_scwrl_1456839403.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1456839403_b.pdb or decoys//var/tmp/from_scwrl_1456839403_b.pdb.gz for input Trying /var/tmp/from_scwrl_1456839403_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1456839403_b.pdb or /var/tmp/from_scwrl_1456839403_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1456839403_a.pdb or decoys//var/tmp/from_scwrl_1456839403_a.pdb.gz for input Trying /var/tmp/from_scwrl_1456839403_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1456839403_a.pdb or /var/tmp/from_scwrl_1456839403_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1456839403.pdb or /var/tmp/from_scwrl_1456839403_b.pdb or /var/tmp/from_scwrl_1456839403_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 T0312 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_POPULUS_TS4 # request to SCWRL produces command: ulimit -t 132 ; scwrl3 -i /var/tmp/to_scwrl_881603232.pdb -s /var/tmp/to_scwrl_881603232.seq -o /var/tmp/from_scwrl_881603232.pdb > /var/tmp/scwrl_881603232.log sh: /var/tmp/scwrl_881603232.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_881603232.pdb or /var/tmp/from_scwrl_881603232.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_881603232_b.pdb or decoys//var/tmp/from_scwrl_881603232_b.pdb.gz for input Trying /var/tmp/from_scwrl_881603232_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_881603232_b.pdb or /var/tmp/from_scwrl_881603232_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_881603232_a.pdb or decoys//var/tmp/from_scwrl_881603232_a.pdb.gz for input Trying /var/tmp/from_scwrl_881603232_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_881603232_a.pdb or /var/tmp/from_scwrl_881603232_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_881603232.pdb or /var/tmp/from_scwrl_881603232_b.pdb or /var/tmp/from_scwrl_881603232_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 T0312 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_POPULUS_TS5 # request to SCWRL produces command: ulimit -t 132 ; scwrl3 -i /var/tmp/to_scwrl_82942981.pdb -s /var/tmp/to_scwrl_82942981.seq -o /var/tmp/from_scwrl_82942981.pdb > /var/tmp/scwrl_82942981.log sh: /var/tmp/scwrl_82942981.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_82942981.pdb or /var/tmp/from_scwrl_82942981.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_82942981_b.pdb or decoys//var/tmp/from_scwrl_82942981_b.pdb.gz for input Trying /var/tmp/from_scwrl_82942981_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_82942981_b.pdb or /var/tmp/from_scwrl_82942981_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_82942981_a.pdb or decoys//var/tmp/from_scwrl_82942981_a.pdb.gz for input Trying /var/tmp/from_scwrl_82942981_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_82942981_a.pdb or /var/tmp/from_scwrl_82942981_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_82942981.pdb or /var/tmp/from_scwrl_82942981_b.pdb or /var/tmp/from_scwrl_82942981_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 T0312 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS1 # request to SCWRL produces command: ulimit -t 132 ; scwrl3 -i /var/tmp/to_scwrl_744463842.pdb -s /var/tmp/to_scwrl_744463842.seq -o /var/tmp/from_scwrl_744463842.pdb > /var/tmp/scwrl_744463842.log sh: /var/tmp/scwrl_744463842.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_744463842.pdb or /var/tmp/from_scwrl_744463842.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_744463842_b.pdb or decoys//var/tmp/from_scwrl_744463842_b.pdb.gz for input Trying /var/tmp/from_scwrl_744463842_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_744463842_b.pdb or /var/tmp/from_scwrl_744463842_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_744463842_a.pdb or decoys//var/tmp/from_scwrl_744463842_a.pdb.gz for input Trying /var/tmp/from_scwrl_744463842_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_744463842_a.pdb or /var/tmp/from_scwrl_744463842_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_744463842.pdb or /var/tmp/from_scwrl_744463842_b.pdb or /var/tmp/from_scwrl_744463842_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 T0312 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS2 # request to SCWRL produces command: ulimit -t 132 ; scwrl3 -i /var/tmp/to_scwrl_1319504768.pdb -s /var/tmp/to_scwrl_1319504768.seq -o /var/tmp/from_scwrl_1319504768.pdb > /var/tmp/scwrl_1319504768.log sh: /var/tmp/scwrl_1319504768.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1319504768.pdb or /var/tmp/from_scwrl_1319504768.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1319504768_b.pdb or decoys//var/tmp/from_scwrl_1319504768_b.pdb.gz for input Trying /var/tmp/from_scwrl_1319504768_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1319504768_b.pdb or /var/tmp/from_scwrl_1319504768_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1319504768_a.pdb or decoys//var/tmp/from_scwrl_1319504768_a.pdb.gz for input Trying /var/tmp/from_scwrl_1319504768_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1319504768_a.pdb or /var/tmp/from_scwrl_1319504768_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1319504768.pdb or /var/tmp/from_scwrl_1319504768_b.pdb or /var/tmp/from_scwrl_1319504768_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 T0312 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS3 # request to SCWRL produces command: ulimit -t 132 ; scwrl3 -i /var/tmp/to_scwrl_1539434709.pdb -s /var/tmp/to_scwrl_1539434709.seq -o /var/tmp/from_scwrl_1539434709.pdb > /var/tmp/scwrl_1539434709.log sh: /var/tmp/scwrl_1539434709.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1539434709.pdb or /var/tmp/from_scwrl_1539434709.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1539434709_b.pdb or decoys//var/tmp/from_scwrl_1539434709_b.pdb.gz for input Trying /var/tmp/from_scwrl_1539434709_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1539434709_b.pdb or /var/tmp/from_scwrl_1539434709_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1539434709_a.pdb or decoys//var/tmp/from_scwrl_1539434709_a.pdb.gz for input Trying /var/tmp/from_scwrl_1539434709_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1539434709_a.pdb or /var/tmp/from_scwrl_1539434709_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1539434709.pdb or /var/tmp/from_scwrl_1539434709_b.pdb or /var/tmp/from_scwrl_1539434709_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 T0312 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS4 # request to SCWRL produces command: ulimit -t 132 ; scwrl3 -i /var/tmp/to_scwrl_855131919.pdb -s /var/tmp/to_scwrl_855131919.seq -o /var/tmp/from_scwrl_855131919.pdb > /var/tmp/scwrl_855131919.log sh: /var/tmp/scwrl_855131919.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_855131919.pdb or /var/tmp/from_scwrl_855131919.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_855131919_b.pdb or decoys//var/tmp/from_scwrl_855131919_b.pdb.gz for input Trying /var/tmp/from_scwrl_855131919_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_855131919_b.pdb or /var/tmp/from_scwrl_855131919_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_855131919_a.pdb or decoys//var/tmp/from_scwrl_855131919_a.pdb.gz for input Trying /var/tmp/from_scwrl_855131919_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_855131919_a.pdb or /var/tmp/from_scwrl_855131919_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_855131919.pdb or /var/tmp/from_scwrl_855131919_b.pdb or /var/tmp/from_scwrl_855131919_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 T0312 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS5 # request to SCWRL produces command: ulimit -t 132 ; scwrl3 -i /var/tmp/to_scwrl_191415038.pdb -s /var/tmp/to_scwrl_191415038.seq -o /var/tmp/from_scwrl_191415038.pdb > /var/tmp/scwrl_191415038.log sh: /var/tmp/scwrl_191415038.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_191415038.pdb or /var/tmp/from_scwrl_191415038.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_191415038_b.pdb or decoys//var/tmp/from_scwrl_191415038_b.pdb.gz for input Trying /var/tmp/from_scwrl_191415038_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_191415038_b.pdb or /var/tmp/from_scwrl_191415038_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_191415038_a.pdb or decoys//var/tmp/from_scwrl_191415038_a.pdb.gz for input Trying /var/tmp/from_scwrl_191415038_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_191415038_a.pdb or /var/tmp/from_scwrl_191415038_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_191415038.pdb or /var/tmp/from_scwrl_191415038_b.pdb or /var/tmp/from_scwrl_191415038_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 T0312 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_TS1 # request to SCWRL produces command: ulimit -t 132 ; scwrl3 -i /var/tmp/to_scwrl_1754949705.pdb -s /var/tmp/to_scwrl_1754949705.seq -o /var/tmp/from_scwrl_1754949705.pdb > /var/tmp/scwrl_1754949705.log sh: /var/tmp/scwrl_1754949705.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1754949705.pdb or /var/tmp/from_scwrl_1754949705.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1754949705_b.pdb or decoys//var/tmp/from_scwrl_1754949705_b.pdb.gz for input Trying /var/tmp/from_scwrl_1754949705_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1754949705_b.pdb or /var/tmp/from_scwrl_1754949705_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1754949705_a.pdb or decoys//var/tmp/from_scwrl_1754949705_a.pdb.gz for input Trying /var/tmp/from_scwrl_1754949705_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1754949705_a.pdb or /var/tmp/from_scwrl_1754949705_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1754949705.pdb or /var/tmp/from_scwrl_1754949705_b.pdb or /var/tmp/from_scwrl_1754949705_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 T0312 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_TS2 # request to SCWRL produces command: ulimit -t 132 ; scwrl3 -i /var/tmp/to_scwrl_1935839414.pdb -s /var/tmp/to_scwrl_1935839414.seq -o /var/tmp/from_scwrl_1935839414.pdb > /var/tmp/scwrl_1935839414.log sh: /var/tmp/scwrl_1935839414.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1935839414.pdb or /var/tmp/from_scwrl_1935839414.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1935839414_b.pdb or decoys//var/tmp/from_scwrl_1935839414_b.pdb.gz for input Trying /var/tmp/from_scwrl_1935839414_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1935839414_b.pdb or /var/tmp/from_scwrl_1935839414_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1935839414_a.pdb or decoys//var/tmp/from_scwrl_1935839414_a.pdb.gz for input Trying /var/tmp/from_scwrl_1935839414_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1935839414_a.pdb or /var/tmp/from_scwrl_1935839414_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1935839414.pdb or /var/tmp/from_scwrl_1935839414_b.pdb or /var/tmp/from_scwrl_1935839414_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 T0312 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_TS3 # request to SCWRL produces command: ulimit -t 132 ; scwrl3 -i /var/tmp/to_scwrl_381107037.pdb -s /var/tmp/to_scwrl_381107037.seq -o /var/tmp/from_scwrl_381107037.pdb > /var/tmp/scwrl_381107037.log sh: /var/tmp/scwrl_381107037.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_381107037.pdb or /var/tmp/from_scwrl_381107037.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_381107037_b.pdb or decoys//var/tmp/from_scwrl_381107037_b.pdb.gz for input Trying /var/tmp/from_scwrl_381107037_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_381107037_b.pdb or /var/tmp/from_scwrl_381107037_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_381107037_a.pdb or decoys//var/tmp/from_scwrl_381107037_a.pdb.gz for input Trying /var/tmp/from_scwrl_381107037_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_381107037_a.pdb or /var/tmp/from_scwrl_381107037_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_381107037.pdb or /var/tmp/from_scwrl_381107037_b.pdb or /var/tmp/from_scwrl_381107037_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 T0312 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_TS4 # request to SCWRL produces command: ulimit -t 132 ; scwrl3 -i /var/tmp/to_scwrl_1661291471.pdb -s /var/tmp/to_scwrl_1661291471.seq -o /var/tmp/from_scwrl_1661291471.pdb > /var/tmp/scwrl_1661291471.log sh: /var/tmp/scwrl_1661291471.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1661291471.pdb or /var/tmp/from_scwrl_1661291471.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1661291471_b.pdb or decoys//var/tmp/from_scwrl_1661291471_b.pdb.gz for input Trying /var/tmp/from_scwrl_1661291471_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1661291471_b.pdb or /var/tmp/from_scwrl_1661291471_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1661291471_a.pdb or decoys//var/tmp/from_scwrl_1661291471_a.pdb.gz for input Trying /var/tmp/from_scwrl_1661291471_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1661291471_a.pdb or /var/tmp/from_scwrl_1661291471_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1661291471.pdb or /var/tmp/from_scwrl_1661291471_b.pdb or /var/tmp/from_scwrl_1661291471_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 T0312 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_TS5 # request to SCWRL produces command: ulimit -t 132 ; scwrl3 -i /var/tmp/to_scwrl_2118331391.pdb -s /var/tmp/to_scwrl_2118331391.seq -o /var/tmp/from_scwrl_2118331391.pdb > /var/tmp/scwrl_2118331391.log sh: /var/tmp/scwrl_2118331391.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_2118331391.pdb or /var/tmp/from_scwrl_2118331391.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2118331391_b.pdb or decoys//var/tmp/from_scwrl_2118331391_b.pdb.gz for input Trying /var/tmp/from_scwrl_2118331391_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_2118331391_b.pdb or /var/tmp/from_scwrl_2118331391_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2118331391_a.pdb or decoys//var/tmp/from_scwrl_2118331391_a.pdb.gz for input Trying /var/tmp/from_scwrl_2118331391_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_2118331391_a.pdb or /var/tmp/from_scwrl_2118331391_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_2118331391.pdb or /var/tmp/from_scwrl_2118331391_b.pdb or /var/tmp/from_scwrl_2118331391_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 54 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS1 # request to SCWRL produces command: ulimit -t 132 ; scwrl3 -i /var/tmp/to_scwrl_1593330632.pdb -s /var/tmp/to_scwrl_1593330632.seq -o /var/tmp/from_scwrl_1593330632.pdb > /var/tmp/scwrl_1593330632.log sh: /var/tmp/scwrl_1593330632.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1593330632.pdb or /var/tmp/from_scwrl_1593330632.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1593330632_b.pdb or decoys//var/tmp/from_scwrl_1593330632_b.pdb.gz for input Trying /var/tmp/from_scwrl_1593330632_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1593330632_b.pdb or /var/tmp/from_scwrl_1593330632_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1593330632_a.pdb or decoys//var/tmp/from_scwrl_1593330632_a.pdb.gz for input Trying /var/tmp/from_scwrl_1593330632_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1593330632_a.pdb or /var/tmp/from_scwrl_1593330632_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1593330632.pdb or /var/tmp/from_scwrl_1593330632_b.pdb or /var/tmp/from_scwrl_1593330632_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 70 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS2 # request to SCWRL produces command: ulimit -t 132 ; scwrl3 -i /var/tmp/to_scwrl_1525917202.pdb -s /var/tmp/to_scwrl_1525917202.seq -o /var/tmp/from_scwrl_1525917202.pdb > /var/tmp/scwrl_1525917202.log sh: /var/tmp/scwrl_1525917202.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1525917202.pdb or /var/tmp/from_scwrl_1525917202.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1525917202_b.pdb or decoys//var/tmp/from_scwrl_1525917202_b.pdb.gz for input Trying /var/tmp/from_scwrl_1525917202_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1525917202_b.pdb or /var/tmp/from_scwrl_1525917202_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1525917202_a.pdb or decoys//var/tmp/from_scwrl_1525917202_a.pdb.gz for input Trying /var/tmp/from_scwrl_1525917202_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1525917202_a.pdb or /var/tmp/from_scwrl_1525917202_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1525917202.pdb or /var/tmp/from_scwrl_1525917202_b.pdb or /var/tmp/from_scwrl_1525917202_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 118 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS3 # request to SCWRL produces command: ulimit -t 132 ; scwrl3 -i /var/tmp/to_scwrl_2095555172.pdb -s /var/tmp/to_scwrl_2095555172.seq -o /var/tmp/from_scwrl_2095555172.pdb > /var/tmp/scwrl_2095555172.log sh: /var/tmp/scwrl_2095555172.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_2095555172.pdb or /var/tmp/from_scwrl_2095555172.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2095555172_b.pdb or decoys//var/tmp/from_scwrl_2095555172_b.pdb.gz for input Trying /var/tmp/from_scwrl_2095555172_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_2095555172_b.pdb or /var/tmp/from_scwrl_2095555172_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2095555172_a.pdb or decoys//var/tmp/from_scwrl_2095555172_a.pdb.gz for input Trying /var/tmp/from_scwrl_2095555172_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_2095555172_a.pdb or /var/tmp/from_scwrl_2095555172_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_2095555172.pdb or /var/tmp/from_scwrl_2095555172_b.pdb or /var/tmp/from_scwrl_2095555172_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 109 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS4 # request to SCWRL produces command: ulimit -t 132 ; scwrl3 -i /var/tmp/to_scwrl_431039583.pdb -s /var/tmp/to_scwrl_431039583.seq -o /var/tmp/from_scwrl_431039583.pdb > /var/tmp/scwrl_431039583.log sh: /var/tmp/scwrl_431039583.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_431039583.pdb or /var/tmp/from_scwrl_431039583.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_431039583_b.pdb or decoys//var/tmp/from_scwrl_431039583_b.pdb.gz for input Trying /var/tmp/from_scwrl_431039583_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_431039583_b.pdb or /var/tmp/from_scwrl_431039583_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_431039583_a.pdb or decoys//var/tmp/from_scwrl_431039583_a.pdb.gz for input Trying /var/tmp/from_scwrl_431039583_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_431039583_a.pdb or /var/tmp/from_scwrl_431039583_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_431039583.pdb or /var/tmp/from_scwrl_431039583_b.pdb or /var/tmp/from_scwrl_431039583_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 118 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS5 # request to SCWRL produces command: ulimit -t 132 ; scwrl3 -i /var/tmp/to_scwrl_1006258825.pdb -s /var/tmp/to_scwrl_1006258825.seq -o /var/tmp/from_scwrl_1006258825.pdb > /var/tmp/scwrl_1006258825.log sh: /var/tmp/scwrl_1006258825.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1006258825.pdb or /var/tmp/from_scwrl_1006258825.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1006258825_b.pdb or decoys//var/tmp/from_scwrl_1006258825_b.pdb.gz for input Trying /var/tmp/from_scwrl_1006258825_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1006258825_b.pdb or /var/tmp/from_scwrl_1006258825_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1006258825_a.pdb or decoys//var/tmp/from_scwrl_1006258825_a.pdb.gz for input Trying /var/tmp/from_scwrl_1006258825_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1006258825_a.pdb or /var/tmp/from_scwrl_1006258825_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1006258825.pdb or /var/tmp/from_scwrl_1006258825_b.pdb or /var/tmp/from_scwrl_1006258825_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 118 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS1 # request to SCWRL produces command: ulimit -t 132 ; scwrl3 -i /var/tmp/to_scwrl_196731096.pdb -s /var/tmp/to_scwrl_196731096.seq -o /var/tmp/from_scwrl_196731096.pdb > /var/tmp/scwrl_196731096.log sh: /var/tmp/scwrl_196731096.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_196731096.pdb or /var/tmp/from_scwrl_196731096.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_196731096_b.pdb or decoys//var/tmp/from_scwrl_196731096_b.pdb.gz for input Trying /var/tmp/from_scwrl_196731096_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_196731096_b.pdb or /var/tmp/from_scwrl_196731096_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_196731096_a.pdb or decoys//var/tmp/from_scwrl_196731096_a.pdb.gz for input Trying /var/tmp/from_scwrl_196731096_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_196731096_a.pdb or /var/tmp/from_scwrl_196731096_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_196731096.pdb or /var/tmp/from_scwrl_196731096_b.pdb or /var/tmp/from_scwrl_196731096_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 109 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS2 # request to SCWRL produces command: ulimit -t 132 ; scwrl3 -i /var/tmp/to_scwrl_1447376034.pdb -s /var/tmp/to_scwrl_1447376034.seq -o /var/tmp/from_scwrl_1447376034.pdb > /var/tmp/scwrl_1447376034.log sh: /var/tmp/scwrl_1447376034.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1447376034.pdb or /var/tmp/from_scwrl_1447376034.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1447376034_b.pdb or decoys//var/tmp/from_scwrl_1447376034_b.pdb.gz for input Trying /var/tmp/from_scwrl_1447376034_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1447376034_b.pdb or /var/tmp/from_scwrl_1447376034_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1447376034_a.pdb or decoys//var/tmp/from_scwrl_1447376034_a.pdb.gz for input Trying /var/tmp/from_scwrl_1447376034_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1447376034_a.pdb or /var/tmp/from_scwrl_1447376034_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1447376034.pdb or /var/tmp/from_scwrl_1447376034_b.pdb or /var/tmp/from_scwrl_1447376034_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 140 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS3 # request to SCWRL produces command: ulimit -t 132 ; scwrl3 -i /var/tmp/to_scwrl_268726166.pdb -s /var/tmp/to_scwrl_268726166.seq -o /var/tmp/from_scwrl_268726166.pdb > /var/tmp/scwrl_268726166.log sh: /var/tmp/scwrl_268726166.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_268726166.pdb or /var/tmp/from_scwrl_268726166.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_268726166_b.pdb or decoys//var/tmp/from_scwrl_268726166_b.pdb.gz for input Trying /var/tmp/from_scwrl_268726166_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_268726166_b.pdb or /var/tmp/from_scwrl_268726166_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_268726166_a.pdb or decoys//var/tmp/from_scwrl_268726166_a.pdb.gz for input Trying /var/tmp/from_scwrl_268726166_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_268726166_a.pdb or /var/tmp/from_scwrl_268726166_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_268726166.pdb or /var/tmp/from_scwrl_268726166_b.pdb or /var/tmp/from_scwrl_268726166_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 107 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS4 # request to SCWRL produces command: ulimit -t 132 ; scwrl3 -i /var/tmp/to_scwrl_1731202968.pdb -s /var/tmp/to_scwrl_1731202968.seq -o /var/tmp/from_scwrl_1731202968.pdb > /var/tmp/scwrl_1731202968.log sh: /var/tmp/scwrl_1731202968.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1731202968.pdb or /var/tmp/from_scwrl_1731202968.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1731202968_b.pdb or decoys//var/tmp/from_scwrl_1731202968_b.pdb.gz for input Trying /var/tmp/from_scwrl_1731202968_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1731202968_b.pdb or /var/tmp/from_scwrl_1731202968_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1731202968_a.pdb or decoys//var/tmp/from_scwrl_1731202968_a.pdb.gz for input Trying /var/tmp/from_scwrl_1731202968_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1731202968_a.pdb or /var/tmp/from_scwrl_1731202968_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1731202968.pdb or /var/tmp/from_scwrl_1731202968_b.pdb or /var/tmp/from_scwrl_1731202968_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 128 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS5 # request to SCWRL produces command: ulimit -t 132 ; scwrl3 -i /var/tmp/to_scwrl_652898684.pdb -s /var/tmp/to_scwrl_652898684.seq -o /var/tmp/from_scwrl_652898684.pdb > /var/tmp/scwrl_652898684.log sh: /var/tmp/scwrl_652898684.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_652898684.pdb or /var/tmp/from_scwrl_652898684.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_652898684_b.pdb or decoys//var/tmp/from_scwrl_652898684_b.pdb.gz for input Trying /var/tmp/from_scwrl_652898684_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_652898684_b.pdb or /var/tmp/from_scwrl_652898684_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_652898684_a.pdb or decoys//var/tmp/from_scwrl_652898684_a.pdb.gz for input Trying /var/tmp/from_scwrl_652898684_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_652898684_a.pdb or /var/tmp/from_scwrl_652898684_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_652898684.pdb or /var/tmp/from_scwrl_652898684_b.pdb or /var/tmp/from_scwrl_652898684_a.pdb Error: no new SCWRL conformation added # naming current conformation ABIpro_TS5-scwrl # ReadConformPDB reading from PDB file servers/BayesHH_TS1.pdb.gz looking for model 1 # naming current conformation BayesHH_TS1 # request to SCWRL produces command: ulimit -t 132 ; scwrl3 -i /var/tmp/to_scwrl_977432312.pdb -s /var/tmp/to_scwrl_977432312.seq -o /var/tmp/from_scwrl_977432312.pdb > /var/tmp/scwrl_977432312.log sh: /var/tmp/scwrl_977432312.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_977432312.pdb or /var/tmp/from_scwrl_977432312.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_977432312_b.pdb or decoys//var/tmp/from_scwrl_977432312_b.pdb.gz for input Trying /var/tmp/from_scwrl_977432312_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_977432312_b.pdb or /var/tmp/from_scwrl_977432312_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_977432312_a.pdb or decoys//var/tmp/from_scwrl_977432312_a.pdb.gz for input Trying /var/tmp/from_scwrl_977432312_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_977432312_a.pdb or /var/tmp/from_scwrl_977432312_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_977432312.pdb or /var/tmp/from_scwrl_977432312_b.pdb or /var/tmp/from_scwrl_977432312_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 145 # copying to AlignedFragments data structure # naming current conformation Bilab-ENABLE_TS1 # request to SCWRL produces command: ulimit -t 132 ; scwrl3 -i /var/tmp/to_scwrl_945352090.pdb -s /var/tmp/to_scwrl_945352090.seq -o /var/tmp/from_scwrl_945352090.pdb > /var/tmp/scwrl_945352090.log sh: /var/tmp/scwrl_945352090.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_945352090.pdb or /var/tmp/from_scwrl_945352090.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_945352090_b.pdb or decoys//var/tmp/from_scwrl_945352090_b.pdb.gz for input Trying /var/tmp/from_scwrl_945352090_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_945352090_b.pdb or /var/tmp/from_scwrl_945352090_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_945352090_a.pdb or decoys//var/tmp/from_scwrl_945352090_a.pdb.gz for input Trying /var/tmp/from_scwrl_945352090_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_945352090_a.pdb or /var/tmp/from_scwrl_945352090_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_945352090.pdb or /var/tmp/from_scwrl_945352090_b.pdb or /var/tmp/from_scwrl_945352090_a.pdb Error: no new SCWRL conformation added # naming current conformation Bilab-ENABLE_TS1-scwrl # ReadConformPDB reading from PDB file servers/Bilab-ENABLE_TS2.pdb.gz looking for model 1 # Found a chain break before 145 # copying to AlignedFragments data structure # naming current conformation Bilab-ENABLE_TS2 # request to SCWRL produces command: ulimit -t 132 ; scwrl3 -i /var/tmp/to_scwrl_642619239.pdb -s /var/tmp/to_scwrl_642619239.seq -o /var/tmp/from_scwrl_642619239.pdb > /var/tmp/scwrl_642619239.log sh: /var/tmp/scwrl_642619239.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_642619239.pdb or /var/tmp/from_scwrl_642619239.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_642619239_b.pdb or decoys//var/tmp/from_scwrl_642619239_b.pdb.gz for input Trying /var/tmp/from_scwrl_642619239_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_642619239_b.pdb or /var/tmp/from_scwrl_642619239_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_642619239_a.pdb or decoys//var/tmp/from_scwrl_642619239_a.pdb.gz for input Trying /var/tmp/from_scwrl_642619239_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_642619239_a.pdb or /var/tmp/from_scwrl_642619239_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_642619239.pdb or /var/tmp/from_scwrl_642619239_b.pdb or /var/tmp/from_scwrl_642619239_a.pdb Error: no new SCWRL conformation added # naming current conformation Bilab-ENABLE_TS2-scwrl # ReadConformPDB reading from PDB file servers/Bilab-ENABLE_TS3.pdb.gz looking for model 1 # Found a chain break before 145 # copying to AlignedFragments data structure # naming current conformation Bilab-ENABLE_TS3 # request to SCWRL produces command: ulimit -t 132 ; scwrl3 -i /var/tmp/to_scwrl_730459117.pdb -s /var/tmp/to_scwrl_730459117.seq -o /var/tmp/from_scwrl_730459117.pdb > /var/tmp/scwrl_730459117.log sh: /var/tmp/scwrl_730459117.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_730459117.pdb or /var/tmp/from_scwrl_730459117.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_730459117_b.pdb or decoys//var/tmp/from_scwrl_730459117_b.pdb.gz for input Trying /var/tmp/from_scwrl_730459117_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_730459117_b.pdb or /var/tmp/from_scwrl_730459117_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_730459117_a.pdb or decoys//var/tmp/from_scwrl_730459117_a.pdb.gz for input Trying /var/tmp/from_scwrl_730459117_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_730459117_a.pdb or /var/tmp/from_scwrl_730459117_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_730459117.pdb or /var/tmp/from_scwrl_730459117_b.pdb or /var/tmp/from_scwrl_730459117_a.pdb Error: no new SCWRL conformation added # naming current conformation Bilab-ENABLE_TS3-scwrl # ReadConformPDB reading from PDB file servers/Bilab-ENABLE_TS4.pdb.gz looking for model 1 # Found a chain break before 145 # copying to AlignedFragments data structure # naming current conformation Bilab-ENABLE_TS4 # request to SCWRL produces command: ulimit -t 132 ; scwrl3 -i /var/tmp/to_scwrl_593479302.pdb -s /var/tmp/to_scwrl_593479302.seq -o /var/tmp/from_scwrl_593479302.pdb > /var/tmp/scwrl_593479302.log sh: /var/tmp/scwrl_593479302.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_593479302.pdb or /var/tmp/from_scwrl_593479302.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_593479302_b.pdb or decoys//var/tmp/from_scwrl_593479302_b.pdb.gz for input Trying /var/tmp/from_scwrl_593479302_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_593479302_b.pdb or /var/tmp/from_scwrl_593479302_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_593479302_a.pdb or decoys//var/tmp/from_scwrl_593479302_a.pdb.gz for input Trying /var/tmp/from_scwrl_593479302_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_593479302_a.pdb or /var/tmp/from_scwrl_593479302_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_593479302.pdb or /var/tmp/from_scwrl_593479302_b.pdb or /var/tmp/from_scwrl_593479302_a.pdb Error: no new SCWRL conformation added # naming current conformation Bilab-ENABLE_TS4-scwrl # ReadConformPDB reading from PDB file servers/Bilab-ENABLE_TS5.pdb.gz looking for model 1 # Found a chain break before 145 # copying to AlignedFragments data structure # naming current conformation Bilab-ENABLE_TS5 # request to SCWRL produces command: ulimit -t 132 ; scwrl3 -i /var/tmp/to_scwrl_652342590.pdb -s /var/tmp/to_scwrl_652342590.seq -o /var/tmp/from_scwrl_652342590.pdb > /var/tmp/scwrl_652342590.log sh: /var/tmp/scwrl_652342590.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_652342590.pdb or /var/tmp/from_scwrl_652342590.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_652342590_b.pdb or decoys//var/tmp/from_scwrl_652342590_b.pdb.gz for input Trying /var/tmp/from_scwrl_652342590_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_652342590_b.pdb or /var/tmp/from_scwrl_652342590_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_652342590_a.pdb or decoys//var/tmp/from_scwrl_652342590_a.pdb.gz for input Trying /var/tmp/from_scwrl_652342590_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_652342590_a.pdb or /var/tmp/from_scwrl_652342590_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_652342590.pdb or /var/tmp/from_scwrl_652342590_b.pdb or /var/tmp/from_scwrl_652342590_a.pdb Error: no new SCWRL conformation added # naming current conformation Bilab-ENABLE_TS5-scwrl # ReadConformPDB reading from PDB file servers/CIRCLE_TS1.pdb.gz looking for model 1 # Found a chain break before 129 # copying to AlignedFragments data structure # naming current conformation CIRCLE_TS1 # request to SCWRL produces command: ulimit -t 132 ; scwrl3 -i /var/tmp/to_scwrl_445233686.pdb -s /var/tmp/to_scwrl_445233686.seq -o /var/tmp/from_scwrl_445233686.pdb > /var/tmp/scwrl_445233686.log sh: /var/tmp/scwrl_445233686.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_445233686.pdb or /var/tmp/from_scwrl_445233686.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_445233686_b.pdb or decoys//var/tmp/from_scwrl_445233686_b.pdb.gz for input Trying /var/tmp/from_scwrl_445233686_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_445233686_b.pdb or /var/tmp/from_scwrl_445233686_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_445233686_a.pdb or decoys//var/tmp/from_scwrl_445233686_a.pdb.gz for input Trying /var/tmp/from_scwrl_445233686_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_445233686_a.pdb or /var/tmp/from_scwrl_445233686_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_445233686.pdb or /var/tmp/from_scwrl_445233686_b.pdb or /var/tmp/from_scwrl_445233686_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 T0312 can't currently be optimized by undertaker # naming current conformation CIRCLE_TS2 # request to SCWRL produces command: ulimit -t 132 ; scwrl3 -i /var/tmp/to_scwrl_1957094700.pdb -s /var/tmp/to_scwrl_1957094700.seq -o /var/tmp/from_scwrl_1957094700.pdb > /var/tmp/scwrl_1957094700.log sh: /var/tmp/scwrl_1957094700.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1957094700.pdb or /var/tmp/from_scwrl_1957094700.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1957094700_b.pdb or decoys//var/tmp/from_scwrl_1957094700_b.pdb.gz for input Trying /var/tmp/from_scwrl_1957094700_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1957094700_b.pdb or /var/tmp/from_scwrl_1957094700_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1957094700_a.pdb or decoys//var/tmp/from_scwrl_1957094700_a.pdb.gz for input Trying /var/tmp/from_scwrl_1957094700_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1957094700_a.pdb or /var/tmp/from_scwrl_1957094700_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1957094700.pdb or /var/tmp/from_scwrl_1957094700_b.pdb or /var/tmp/from_scwrl_1957094700_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 T0312 can't currently be optimized by undertaker # naming current conformation CIRCLE_TS3 # request to SCWRL produces command: ulimit -t 132 ; scwrl3 -i /var/tmp/to_scwrl_2109181993.pdb -s /var/tmp/to_scwrl_2109181993.seq -o /var/tmp/from_scwrl_2109181993.pdb > /var/tmp/scwrl_2109181993.log sh: /var/tmp/scwrl_2109181993.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_2109181993.pdb or /var/tmp/from_scwrl_2109181993.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2109181993_b.pdb or decoys//var/tmp/from_scwrl_2109181993_b.pdb.gz for input Trying /var/tmp/from_scwrl_2109181993_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_2109181993_b.pdb or /var/tmp/from_scwrl_2109181993_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2109181993_a.pdb or decoys//var/tmp/from_scwrl_2109181993_a.pdb.gz for input Trying /var/tmp/from_scwrl_2109181993_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_2109181993_a.pdb or /var/tmp/from_scwrl_2109181993_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_2109181993.pdb or /var/tmp/from_scwrl_2109181993_b.pdb or /var/tmp/from_scwrl_2109181993_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 T0312 can't currently be optimized by undertaker # naming current conformation CIRCLE_TS4 # request to SCWRL produces command: ulimit -t 132 ; scwrl3 -i /var/tmp/to_scwrl_1326836917.pdb -s /var/tmp/to_scwrl_1326836917.seq -o /var/tmp/from_scwrl_1326836917.pdb > /var/tmp/scwrl_1326836917.log sh: /var/tmp/scwrl_1326836917.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1326836917.pdb or /var/tmp/from_scwrl_1326836917.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1326836917_b.pdb or decoys//var/tmp/from_scwrl_1326836917_b.pdb.gz for input Trying /var/tmp/from_scwrl_1326836917_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1326836917_b.pdb or /var/tmp/from_scwrl_1326836917_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1326836917_a.pdb or decoys//var/tmp/from_scwrl_1326836917_a.pdb.gz for input Trying /var/tmp/from_scwrl_1326836917_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1326836917_a.pdb or /var/tmp/from_scwrl_1326836917_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1326836917.pdb or /var/tmp/from_scwrl_1326836917_b.pdb or /var/tmp/from_scwrl_1326836917_a.pdb Error: no new SCWRL conformation added # naming current conformation CIRCLE_TS4-scwrl # ReadConformPDB reading from PDB file servers/CIRCLE_TS5.pdb.gz looking for model 1 # Found a chain break before 134 # copying to AlignedFragments data structure # naming current conformation CIRCLE_TS5 # request to SCWRL produces command: ulimit -t 132 ; scwrl3 -i /var/tmp/to_scwrl_2040037681.pdb -s /var/tmp/to_scwrl_2040037681.seq -o /var/tmp/from_scwrl_2040037681.pdb > /var/tmp/scwrl_2040037681.log sh: /var/tmp/scwrl_2040037681.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_2040037681.pdb or /var/tmp/from_scwrl_2040037681.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2040037681_b.pdb or decoys//var/tmp/from_scwrl_2040037681_b.pdb.gz for input Trying /var/tmp/from_scwrl_2040037681_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_2040037681_b.pdb or /var/tmp/from_scwrl_2040037681_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2040037681_a.pdb or decoys//var/tmp/from_scwrl_2040037681_a.pdb.gz for input Trying /var/tmp/from_scwrl_2040037681_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_2040037681_a.pdb or /var/tmp/from_scwrl_2040037681_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_2040037681.pdb or /var/tmp/from_scwrl_2040037681_b.pdb or /var/tmp/from_scwrl_2040037681_a.pdb Error: no new SCWRL conformation added # naming current conformation CIRCLE_TS5-scwrl # ReadConformPDB reading from PDB file servers/CaspIta-FOX_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0312 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation CaspIta-FOX_TS1 # request to SCWRL produces command: ulimit -t 132 ; scwrl3 -i /var/tmp/to_scwrl_706162188.pdb -s /var/tmp/to_scwrl_706162188.seq -o /var/tmp/from_scwrl_706162188.pdb > /var/tmp/scwrl_706162188.log sh: /var/tmp/scwrl_706162188.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_706162188.pdb or /var/tmp/from_scwrl_706162188.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_706162188_b.pdb or decoys//var/tmp/from_scwrl_706162188_b.pdb.gz for input Trying /var/tmp/from_scwrl_706162188_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_706162188_b.pdb or /var/tmp/from_scwrl_706162188_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_706162188_a.pdb or decoys//var/tmp/from_scwrl_706162188_a.pdb.gz for input Trying /var/tmp/from_scwrl_706162188_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_706162188_a.pdb or /var/tmp/from_scwrl_706162188_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_706162188.pdb or /var/tmp/from_scwrl_706162188_b.pdb or /var/tmp/from_scwrl_706162188_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 T0312 can't currently be optimized by undertaker # naming current conformation CaspIta-FOX_TS2 # request to SCWRL produces command: ulimit -t 132 ; scwrl3 -i /var/tmp/to_scwrl_498858039.pdb -s /var/tmp/to_scwrl_498858039.seq -o /var/tmp/from_scwrl_498858039.pdb > /var/tmp/scwrl_498858039.log sh: /var/tmp/scwrl_498858039.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_498858039.pdb or /var/tmp/from_scwrl_498858039.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_498858039_b.pdb or decoys//var/tmp/from_scwrl_498858039_b.pdb.gz for input Trying /var/tmp/from_scwrl_498858039_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_498858039_b.pdb or /var/tmp/from_scwrl_498858039_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_498858039_a.pdb or decoys//var/tmp/from_scwrl_498858039_a.pdb.gz for input Trying /var/tmp/from_scwrl_498858039_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_498858039_a.pdb or /var/tmp/from_scwrl_498858039_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_498858039.pdb or /var/tmp/from_scwrl_498858039_b.pdb or /var/tmp/from_scwrl_498858039_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 T0312 can't currently be optimized by undertaker # naming current conformation CaspIta-FOX_TS3 # request to SCWRL produces command: ulimit -t 132 ; scwrl3 -i /var/tmp/to_scwrl_1431988743.pdb -s /var/tmp/to_scwrl_1431988743.seq -o /var/tmp/from_scwrl_1431988743.pdb > /var/tmp/scwrl_1431988743.log sh: /var/tmp/scwrl_1431988743.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1431988743.pdb or /var/tmp/from_scwrl_1431988743.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1431988743_b.pdb or decoys//var/tmp/from_scwrl_1431988743_b.pdb.gz for input Trying /var/tmp/from_scwrl_1431988743_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1431988743_b.pdb or /var/tmp/from_scwrl_1431988743_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1431988743_a.pdb or decoys//var/tmp/from_scwrl_1431988743_a.pdb.gz for input Trying /var/tmp/from_scwrl_1431988743_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1431988743_a.pdb or /var/tmp/from_scwrl_1431988743_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1431988743.pdb or /var/tmp/from_scwrl_1431988743_b.pdb or /var/tmp/from_scwrl_1431988743_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 T0312 can't currently be optimized by undertaker # naming current conformation CaspIta-FOX_TS4 # request to SCWRL produces command: ulimit -t 132 ; scwrl3 -i /var/tmp/to_scwrl_1561294106.pdb -s /var/tmp/to_scwrl_1561294106.seq -o /var/tmp/from_scwrl_1561294106.pdb > /var/tmp/scwrl_1561294106.log sh: /var/tmp/scwrl_1561294106.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1561294106.pdb or /var/tmp/from_scwrl_1561294106.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1561294106_b.pdb or decoys//var/tmp/from_scwrl_1561294106_b.pdb.gz for input Trying /var/tmp/from_scwrl_1561294106_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1561294106_b.pdb or /var/tmp/from_scwrl_1561294106_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1561294106_a.pdb or decoys//var/tmp/from_scwrl_1561294106_a.pdb.gz for input Trying /var/tmp/from_scwrl_1561294106_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1561294106_a.pdb or /var/tmp/from_scwrl_1561294106_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1561294106.pdb or /var/tmp/from_scwrl_1561294106_b.pdb or /var/tmp/from_scwrl_1561294106_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 T0312 can't currently be optimized by undertaker # naming current conformation CaspIta-FOX_TS5 # request to SCWRL produces command: ulimit -t 132 ; scwrl3 -i /var/tmp/to_scwrl_690273077.pdb -s /var/tmp/to_scwrl_690273077.seq -o /var/tmp/from_scwrl_690273077.pdb > /var/tmp/scwrl_690273077.log sh: /var/tmp/scwrl_690273077.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_690273077.pdb or /var/tmp/from_scwrl_690273077.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_690273077_b.pdb or decoys//var/tmp/from_scwrl_690273077_b.pdb.gz for input Trying /var/tmp/from_scwrl_690273077_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_690273077_b.pdb or /var/tmp/from_scwrl_690273077_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_690273077_a.pdb or decoys//var/tmp/from_scwrl_690273077_a.pdb.gz for input Trying /var/tmp/from_scwrl_690273077_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_690273077_a.pdb or /var/tmp/from_scwrl_690273077_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_690273077.pdb or /var/tmp/from_scwrl_690273077_b.pdb or /var/tmp/from_scwrl_690273077_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 T0312 can't currently be optimized by undertaker # naming current conformation Distill_TS1 # request to SCWRL produces command: ulimit -t 132 ; scwrl3 -i /var/tmp/to_scwrl_1039454802.pdb -s /var/tmp/to_scwrl_1039454802.seq -o /var/tmp/from_scwrl_1039454802.pdb > /var/tmp/scwrl_1039454802.log sh: /var/tmp/scwrl_1039454802.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1039454802.pdb or /var/tmp/from_scwrl_1039454802.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1039454802_b.pdb or decoys//var/tmp/from_scwrl_1039454802_b.pdb.gz for input Trying /var/tmp/from_scwrl_1039454802_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1039454802_b.pdb or /var/tmp/from_scwrl_1039454802_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1039454802_a.pdb or decoys//var/tmp/from_scwrl_1039454802_a.pdb.gz for input Trying /var/tmp/from_scwrl_1039454802_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1039454802_a.pdb or /var/tmp/from_scwrl_1039454802_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1039454802.pdb or /var/tmp/from_scwrl_1039454802_b.pdb or /var/tmp/from_scwrl_1039454802_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 T0312 can't currently be optimized by undertaker # naming current conformation Distill_TS2 # request to SCWRL produces command: ulimit -t 132 ; scwrl3 -i /var/tmp/to_scwrl_1349649874.pdb -s /var/tmp/to_scwrl_1349649874.seq -o /var/tmp/from_scwrl_1349649874.pdb > /var/tmp/scwrl_1349649874.log sh: /var/tmp/scwrl_1349649874.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1349649874.pdb or /var/tmp/from_scwrl_1349649874.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1349649874_b.pdb or decoys//var/tmp/from_scwrl_1349649874_b.pdb.gz for input Trying /var/tmp/from_scwrl_1349649874_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1349649874_b.pdb or /var/tmp/from_scwrl_1349649874_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1349649874_a.pdb or decoys//var/tmp/from_scwrl_1349649874_a.pdb.gz for input Trying /var/tmp/from_scwrl_1349649874_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1349649874_a.pdb or /var/tmp/from_scwrl_1349649874_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1349649874.pdb or /var/tmp/from_scwrl_1349649874_b.pdb or /var/tmp/from_scwrl_1349649874_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 T0312 can't currently be optimized by undertaker # naming current conformation Distill_TS3 # request to SCWRL produces command: ulimit -t 132 ; scwrl3 -i /var/tmp/to_scwrl_1071380115.pdb -s /var/tmp/to_scwrl_1071380115.seq -o /var/tmp/from_scwrl_1071380115.pdb > /var/tmp/scwrl_1071380115.log sh: /var/tmp/scwrl_1071380115.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1071380115.pdb or /var/tmp/from_scwrl_1071380115.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1071380115_b.pdb or decoys//var/tmp/from_scwrl_1071380115_b.pdb.gz for input Trying /var/tmp/from_scwrl_1071380115_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1071380115_b.pdb or /var/tmp/from_scwrl_1071380115_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1071380115_a.pdb or decoys//var/tmp/from_scwrl_1071380115_a.pdb.gz for input Trying /var/tmp/from_scwrl_1071380115_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1071380115_a.pdb or /var/tmp/from_scwrl_1071380115_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1071380115.pdb or /var/tmp/from_scwrl_1071380115_b.pdb or /var/tmp/from_scwrl_1071380115_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 T0312 can't currently be optimized by undertaker # naming current conformation Distill_TS4 # request to SCWRL produces command: ulimit -t 132 ; scwrl3 -i /var/tmp/to_scwrl_553262627.pdb -s /var/tmp/to_scwrl_553262627.seq -o /var/tmp/from_scwrl_553262627.pdb > /var/tmp/scwrl_553262627.log sh: /var/tmp/scwrl_553262627.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_553262627.pdb or /var/tmp/from_scwrl_553262627.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_553262627_b.pdb or decoys//var/tmp/from_scwrl_553262627_b.pdb.gz for input Trying /var/tmp/from_scwrl_553262627_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_553262627_b.pdb or /var/tmp/from_scwrl_553262627_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_553262627_a.pdb or decoys//var/tmp/from_scwrl_553262627_a.pdb.gz for input Trying /var/tmp/from_scwrl_553262627_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_553262627_a.pdb or /var/tmp/from_scwrl_553262627_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_553262627.pdb or /var/tmp/from_scwrl_553262627_b.pdb or /var/tmp/from_scwrl_553262627_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 T0312 can't currently be optimized by undertaker # naming current conformation Distill_TS5 # request to SCWRL produces command: ulimit -t 132 ; scwrl3 -i /var/tmp/to_scwrl_1320497618.pdb -s /var/tmp/to_scwrl_1320497618.seq -o /var/tmp/from_scwrl_1320497618.pdb > /var/tmp/scwrl_1320497618.log sh: /var/tmp/scwrl_1320497618.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1320497618.pdb or /var/tmp/from_scwrl_1320497618.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1320497618_b.pdb or decoys//var/tmp/from_scwrl_1320497618_b.pdb.gz for input Trying /var/tmp/from_scwrl_1320497618_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1320497618_b.pdb or /var/tmp/from_scwrl_1320497618_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1320497618_a.pdb or decoys//var/tmp/from_scwrl_1320497618_a.pdb.gz for input Trying /var/tmp/from_scwrl_1320497618_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1320497618_a.pdb or /var/tmp/from_scwrl_1320497618_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1320497618.pdb or /var/tmp/from_scwrl_1320497618_b.pdb or /var/tmp/from_scwrl_1320497618_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 145 # copying to AlignedFragments data structure # naming current conformation FAMSD_TS1 # request to SCWRL produces command: ulimit -t 132 ; scwrl3 -i /var/tmp/to_scwrl_517227100.pdb -s /var/tmp/to_scwrl_517227100.seq -o /var/tmp/from_scwrl_517227100.pdb > /var/tmp/scwrl_517227100.log sh: /var/tmp/scwrl_517227100.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_517227100.pdb or /var/tmp/from_scwrl_517227100.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_517227100_b.pdb or decoys//var/tmp/from_scwrl_517227100_b.pdb.gz for input Trying /var/tmp/from_scwrl_517227100_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_517227100_b.pdb or /var/tmp/from_scwrl_517227100_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_517227100_a.pdb or decoys//var/tmp/from_scwrl_517227100_a.pdb.gz for input Trying /var/tmp/from_scwrl_517227100_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_517227100_a.pdb or /var/tmp/from_scwrl_517227100_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_517227100.pdb or /var/tmp/from_scwrl_517227100_b.pdb or /var/tmp/from_scwrl_517227100_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 T0312 can't currently be optimized by undertaker # naming current conformation FAMSD_TS2 # request to SCWRL produces command: ulimit -t 132 ; scwrl3 -i /var/tmp/to_scwrl_2079179829.pdb -s /var/tmp/to_scwrl_2079179829.seq -o /var/tmp/from_scwrl_2079179829.pdb > /var/tmp/scwrl_2079179829.log sh: /var/tmp/scwrl_2079179829.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_2079179829.pdb or /var/tmp/from_scwrl_2079179829.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2079179829_b.pdb or decoys//var/tmp/from_scwrl_2079179829_b.pdb.gz for input Trying /var/tmp/from_scwrl_2079179829_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_2079179829_b.pdb or /var/tmp/from_scwrl_2079179829_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2079179829_a.pdb or decoys//var/tmp/from_scwrl_2079179829_a.pdb.gz for input Trying /var/tmp/from_scwrl_2079179829_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_2079179829_a.pdb or /var/tmp/from_scwrl_2079179829_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_2079179829.pdb or /var/tmp/from_scwrl_2079179829_b.pdb or /var/tmp/from_scwrl_2079179829_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 T0312 can't currently be optimized by undertaker # naming current conformation FAMSD_TS3 # request to SCWRL produces command: ulimit -t 132 ; scwrl3 -i /var/tmp/to_scwrl_1268569143.pdb -s /var/tmp/to_scwrl_1268569143.seq -o /var/tmp/from_scwrl_1268569143.pdb > /var/tmp/scwrl_1268569143.log sh: /var/tmp/scwrl_1268569143.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1268569143.pdb or /var/tmp/from_scwrl_1268569143.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1268569143_b.pdb or decoys//var/tmp/from_scwrl_1268569143_b.pdb.gz for input Trying /var/tmp/from_scwrl_1268569143_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1268569143_b.pdb or /var/tmp/from_scwrl_1268569143_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1268569143_a.pdb or decoys//var/tmp/from_scwrl_1268569143_a.pdb.gz for input Trying /var/tmp/from_scwrl_1268569143_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1268569143_a.pdb or /var/tmp/from_scwrl_1268569143_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1268569143.pdb or /var/tmp/from_scwrl_1268569143_b.pdb or /var/tmp/from_scwrl_1268569143_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 T0312 can't currently be optimized by undertaker # naming current conformation FAMSD_TS4 # request to SCWRL produces command: ulimit -t 132 ; scwrl3 -i /var/tmp/to_scwrl_948266683.pdb -s /var/tmp/to_scwrl_948266683.seq -o /var/tmp/from_scwrl_948266683.pdb > /var/tmp/scwrl_948266683.log sh: /var/tmp/scwrl_948266683.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_948266683.pdb or /var/tmp/from_scwrl_948266683.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_948266683_b.pdb or decoys//var/tmp/from_scwrl_948266683_b.pdb.gz for input Trying /var/tmp/from_scwrl_948266683_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_948266683_b.pdb or /var/tmp/from_scwrl_948266683_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_948266683_a.pdb or decoys//var/tmp/from_scwrl_948266683_a.pdb.gz for input Trying /var/tmp/from_scwrl_948266683_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_948266683_a.pdb or /var/tmp/from_scwrl_948266683_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_948266683.pdb or /var/tmp/from_scwrl_948266683_b.pdb or /var/tmp/from_scwrl_948266683_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 T0312 can't currently be optimized by undertaker # naming current conformation FAMSD_TS5 # request to SCWRL produces command: ulimit -t 132 ; scwrl3 -i /var/tmp/to_scwrl_937955007.pdb -s /var/tmp/to_scwrl_937955007.seq -o /var/tmp/from_scwrl_937955007.pdb > /var/tmp/scwrl_937955007.log sh: /var/tmp/scwrl_937955007.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_937955007.pdb or /var/tmp/from_scwrl_937955007.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_937955007_b.pdb or decoys//var/tmp/from_scwrl_937955007_b.pdb.gz for input Trying /var/tmp/from_scwrl_937955007_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_937955007_b.pdb or /var/tmp/from_scwrl_937955007_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_937955007_a.pdb or decoys//var/tmp/from_scwrl_937955007_a.pdb.gz for input Trying /var/tmp/from_scwrl_937955007_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_937955007_a.pdb or /var/tmp/from_scwrl_937955007_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_937955007.pdb or /var/tmp/from_scwrl_937955007_b.pdb or /var/tmp/from_scwrl_937955007_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 # WARNING: incomplete conformation T0312 can't currently be optimized by undertaker # naming current conformation FAMS_TS1 # request to SCWRL produces command: ulimit -t 132 ; scwrl3 -i /var/tmp/to_scwrl_1465300239.pdb -s /var/tmp/to_scwrl_1465300239.seq -o /var/tmp/from_scwrl_1465300239.pdb > /var/tmp/scwrl_1465300239.log sh: /var/tmp/scwrl_1465300239.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1465300239.pdb or /var/tmp/from_scwrl_1465300239.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1465300239_b.pdb or decoys//var/tmp/from_scwrl_1465300239_b.pdb.gz for input Trying /var/tmp/from_scwrl_1465300239_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1465300239_b.pdb or /var/tmp/from_scwrl_1465300239_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1465300239_a.pdb or decoys//var/tmp/from_scwrl_1465300239_a.pdb.gz for input Trying /var/tmp/from_scwrl_1465300239_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1465300239_a.pdb or /var/tmp/from_scwrl_1465300239_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1465300239.pdb or /var/tmp/from_scwrl_1465300239_b.pdb or /var/tmp/from_scwrl_1465300239_a.pdb Error: no new SCWRL conformation added # naming current conformation FAMS_TS1-scwrl # ReadConformPDB reading from PDB file servers/FAMS_TS2.pdb.gz looking for model 1 # Found a chain break before 135 # copying to AlignedFragments data structure # naming current conformation FAMS_TS2 # request to SCWRL produces command: ulimit -t 132 ; scwrl3 -i /var/tmp/to_scwrl_248159070.pdb -s /var/tmp/to_scwrl_248159070.seq -o /var/tmp/from_scwrl_248159070.pdb > /var/tmp/scwrl_248159070.log sh: /var/tmp/scwrl_248159070.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_248159070.pdb or /var/tmp/from_scwrl_248159070.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_248159070_b.pdb or decoys//var/tmp/from_scwrl_248159070_b.pdb.gz for input Trying /var/tmp/from_scwrl_248159070_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_248159070_b.pdb or /var/tmp/from_scwrl_248159070_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_248159070_a.pdb or decoys//var/tmp/from_scwrl_248159070_a.pdb.gz for input Trying /var/tmp/from_scwrl_248159070_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_248159070_a.pdb or /var/tmp/from_scwrl_248159070_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_248159070.pdb or /var/tmp/from_scwrl_248159070_b.pdb or /var/tmp/from_scwrl_248159070_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 T0312 can't currently be optimized by undertaker # naming current conformation FAMS_TS3 # request to SCWRL produces command: ulimit -t 132 ; scwrl3 -i /var/tmp/to_scwrl_1206681172.pdb -s /var/tmp/to_scwrl_1206681172.seq -o /var/tmp/from_scwrl_1206681172.pdb > /var/tmp/scwrl_1206681172.log sh: /var/tmp/scwrl_1206681172.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1206681172.pdb or /var/tmp/from_scwrl_1206681172.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1206681172_b.pdb or decoys//var/tmp/from_scwrl_1206681172_b.pdb.gz for input Trying /var/tmp/from_scwrl_1206681172_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1206681172_b.pdb or /var/tmp/from_scwrl_1206681172_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1206681172_a.pdb or decoys//var/tmp/from_scwrl_1206681172_a.pdb.gz for input Trying /var/tmp/from_scwrl_1206681172_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1206681172_a.pdb or /var/tmp/from_scwrl_1206681172_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1206681172.pdb or /var/tmp/from_scwrl_1206681172_b.pdb or /var/tmp/from_scwrl_1206681172_a.pdb Error: no new SCWRL conformation added # naming current conformation FAMS_TS3-scwrl # ReadConformPDB reading from PDB file servers/FAMS_TS4.pdb.gz looking for model 1 # Found a chain break before 133 # copying to AlignedFragments data structure # naming current conformation FAMS_TS4 # request to SCWRL produces command: ulimit -t 132 ; scwrl3 -i /var/tmp/to_scwrl_1049019561.pdb -s /var/tmp/to_scwrl_1049019561.seq -o /var/tmp/from_scwrl_1049019561.pdb > /var/tmp/scwrl_1049019561.log sh: /var/tmp/scwrl_1049019561.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1049019561.pdb or /var/tmp/from_scwrl_1049019561.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1049019561_b.pdb or decoys//var/tmp/from_scwrl_1049019561_b.pdb.gz for input Trying /var/tmp/from_scwrl_1049019561_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1049019561_b.pdb or /var/tmp/from_scwrl_1049019561_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1049019561_a.pdb or decoys//var/tmp/from_scwrl_1049019561_a.pdb.gz for input Trying /var/tmp/from_scwrl_1049019561_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1049019561_a.pdb or /var/tmp/from_scwrl_1049019561_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1049019561.pdb or /var/tmp/from_scwrl_1049019561_b.pdb or /var/tmp/from_scwrl_1049019561_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 T0312 can't currently be optimized by undertaker # naming current conformation FAMS_TS5 # request to SCWRL produces command: ulimit -t 132 ; scwrl3 -i /var/tmp/to_scwrl_901057755.pdb -s /var/tmp/to_scwrl_901057755.seq -o /var/tmp/from_scwrl_901057755.pdb > /var/tmp/scwrl_901057755.log sh: /var/tmp/scwrl_901057755.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_901057755.pdb or /var/tmp/from_scwrl_901057755.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_901057755_b.pdb or decoys//var/tmp/from_scwrl_901057755_b.pdb.gz for input Trying /var/tmp/from_scwrl_901057755_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_901057755_b.pdb or /var/tmp/from_scwrl_901057755_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_901057755_a.pdb or decoys//var/tmp/from_scwrl_901057755_a.pdb.gz for input Trying /var/tmp/from_scwrl_901057755_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_901057755_a.pdb or /var/tmp/from_scwrl_901057755_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_901057755.pdb or /var/tmp/from_scwrl_901057755_b.pdb or /var/tmp/from_scwrl_901057755_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 56 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS1 # request to SCWRL produces command: ulimit -t 132 ; scwrl3 -i /var/tmp/to_scwrl_36629838.pdb -s /var/tmp/to_scwrl_36629838.seq -o /var/tmp/from_scwrl_36629838.pdb > /var/tmp/scwrl_36629838.log sh: /var/tmp/scwrl_36629838.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_36629838.pdb or /var/tmp/from_scwrl_36629838.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_36629838_b.pdb or decoys//var/tmp/from_scwrl_36629838_b.pdb.gz for input Trying /var/tmp/from_scwrl_36629838_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_36629838_b.pdb or /var/tmp/from_scwrl_36629838_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_36629838_a.pdb or decoys//var/tmp/from_scwrl_36629838_a.pdb.gz for input Trying /var/tmp/from_scwrl_36629838_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_36629838_a.pdb or /var/tmp/from_scwrl_36629838_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_36629838.pdb or /var/tmp/from_scwrl_36629838_b.pdb or /var/tmp/from_scwrl_36629838_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 144 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS2 # request to SCWRL produces command: ulimit -t 132 ; scwrl3 -i /var/tmp/to_scwrl_1994371651.pdb -s /var/tmp/to_scwrl_1994371651.seq -o /var/tmp/from_scwrl_1994371651.pdb > /var/tmp/scwrl_1994371651.log sh: /var/tmp/scwrl_1994371651.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1994371651.pdb or /var/tmp/from_scwrl_1994371651.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1994371651_b.pdb or decoys//var/tmp/from_scwrl_1994371651_b.pdb.gz for input Trying /var/tmp/from_scwrl_1994371651_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1994371651_b.pdb or /var/tmp/from_scwrl_1994371651_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1994371651_a.pdb or decoys//var/tmp/from_scwrl_1994371651_a.pdb.gz for input Trying /var/tmp/from_scwrl_1994371651_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1994371651_a.pdb or /var/tmp/from_scwrl_1994371651_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1994371651.pdb or /var/tmp/from_scwrl_1994371651_b.pdb or /var/tmp/from_scwrl_1994371651_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 54 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS3 # request to SCWRL produces command: ulimit -t 132 ; scwrl3 -i /var/tmp/to_scwrl_1543676993.pdb -s /var/tmp/to_scwrl_1543676993.seq -o /var/tmp/from_scwrl_1543676993.pdb > /var/tmp/scwrl_1543676993.log sh: /var/tmp/scwrl_1543676993.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1543676993.pdb or /var/tmp/from_scwrl_1543676993.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1543676993_b.pdb or decoys//var/tmp/from_scwrl_1543676993_b.pdb.gz for input Trying /var/tmp/from_scwrl_1543676993_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1543676993_b.pdb or /var/tmp/from_scwrl_1543676993_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1543676993_a.pdb or decoys//var/tmp/from_scwrl_1543676993_a.pdb.gz for input Trying /var/tmp/from_scwrl_1543676993_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1543676993_a.pdb or /var/tmp/from_scwrl_1543676993_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1543676993.pdb or /var/tmp/from_scwrl_1543676993_b.pdb or /var/tmp/from_scwrl_1543676993_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 82 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS4 # request to SCWRL produces command: ulimit -t 132 ; scwrl3 -i /var/tmp/to_scwrl_767088955.pdb -s /var/tmp/to_scwrl_767088955.seq -o /var/tmp/from_scwrl_767088955.pdb > /var/tmp/scwrl_767088955.log sh: /var/tmp/scwrl_767088955.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_767088955.pdb or /var/tmp/from_scwrl_767088955.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_767088955_b.pdb or decoys//var/tmp/from_scwrl_767088955_b.pdb.gz for input Trying /var/tmp/from_scwrl_767088955_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_767088955_b.pdb or /var/tmp/from_scwrl_767088955_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_767088955_a.pdb or decoys//var/tmp/from_scwrl_767088955_a.pdb.gz for input Trying /var/tmp/from_scwrl_767088955_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_767088955_a.pdb or /var/tmp/from_scwrl_767088955_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_767088955.pdb or /var/tmp/from_scwrl_767088955_b.pdb or /var/tmp/from_scwrl_767088955_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 47 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS5 # request to SCWRL produces command: ulimit -t 132 ; scwrl3 -i /var/tmp/to_scwrl_440367306.pdb -s /var/tmp/to_scwrl_440367306.seq -o /var/tmp/from_scwrl_440367306.pdb > /var/tmp/scwrl_440367306.log sh: /var/tmp/scwrl_440367306.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_440367306.pdb or /var/tmp/from_scwrl_440367306.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_440367306_b.pdb or decoys//var/tmp/from_scwrl_440367306_b.pdb.gz for input Trying /var/tmp/from_scwrl_440367306_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_440367306_b.pdb or /var/tmp/from_scwrl_440367306_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_440367306_a.pdb or decoys//var/tmp/from_scwrl_440367306_a.pdb.gz for input Trying /var/tmp/from_scwrl_440367306_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_440367306_a.pdb or /var/tmp/from_scwrl_440367306_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_440367306.pdb or /var/tmp/from_scwrl_440367306_b.pdb or /var/tmp/from_scwrl_440367306_a.pdb Error: no new SCWRL conformation added # naming current conformation FOLDpro_TS5-scwrl # ReadConformPDB reading from PDB file servers/FORTE1_AL1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0312 can't currently be optimized by undertaker # naming current conformation FORTE1_AL1 # request to SCWRL produces command: ulimit -t 132 ; scwrl3 -i /var/tmp/to_scwrl_48535936.pdb -s /var/tmp/to_scwrl_48535936.seq -o /var/tmp/from_scwrl_48535936.pdb > /var/tmp/scwrl_48535936.log sh: /var/tmp/scwrl_48535936.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_48535936.pdb or /var/tmp/from_scwrl_48535936.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_48535936_b.pdb or decoys//var/tmp/from_scwrl_48535936_b.pdb.gz for input Trying /var/tmp/from_scwrl_48535936_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_48535936_b.pdb or /var/tmp/from_scwrl_48535936_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_48535936_a.pdb or decoys//var/tmp/from_scwrl_48535936_a.pdb.gz for input Trying /var/tmp/from_scwrl_48535936_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_48535936_a.pdb or /var/tmp/from_scwrl_48535936_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_48535936.pdb or /var/tmp/from_scwrl_48535936_b.pdb or /var/tmp/from_scwrl_48535936_a.pdb Error: no new SCWRL conformation added # naming current conformation FORTE1_AL1-scwrl # ReadConformPDB reading from PDB file servers/FORTE1_AL2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0312 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FORTE1_AL2 # request to SCWRL produces command: ulimit -t 132 ; scwrl3 -i /var/tmp/to_scwrl_1212322640.pdb -s /var/tmp/to_scwrl_1212322640.seq -o /var/tmp/from_scwrl_1212322640.pdb > /var/tmp/scwrl_1212322640.log sh: /var/tmp/scwrl_1212322640.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1212322640.pdb or /var/tmp/from_scwrl_1212322640.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1212322640_b.pdb or decoys//var/tmp/from_scwrl_1212322640_b.pdb.gz for input Trying /var/tmp/from_scwrl_1212322640_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1212322640_b.pdb or /var/tmp/from_scwrl_1212322640_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1212322640_a.pdb or decoys//var/tmp/from_scwrl_1212322640_a.pdb.gz for input Trying /var/tmp/from_scwrl_1212322640_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1212322640_a.pdb or /var/tmp/from_scwrl_1212322640_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1212322640.pdb or /var/tmp/from_scwrl_1212322640_b.pdb or /var/tmp/from_scwrl_1212322640_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 T0312 can't currently be optimized by undertaker # naming current conformation FORTE1_AL3 # request to SCWRL produces command: ulimit -t 132 ; scwrl3 -i /var/tmp/to_scwrl_249978360.pdb -s /var/tmp/to_scwrl_249978360.seq -o /var/tmp/from_scwrl_249978360.pdb > /var/tmp/scwrl_249978360.log sh: /var/tmp/scwrl_249978360.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_249978360.pdb or /var/tmp/from_scwrl_249978360.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_249978360_b.pdb or decoys//var/tmp/from_scwrl_249978360_b.pdb.gz for input Trying /var/tmp/from_scwrl_249978360_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_249978360_b.pdb or /var/tmp/from_scwrl_249978360_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_249978360_a.pdb or decoys//var/tmp/from_scwrl_249978360_a.pdb.gz for input Trying /var/tmp/from_scwrl_249978360_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_249978360_a.pdb or /var/tmp/from_scwrl_249978360_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_249978360.pdb or /var/tmp/from_scwrl_249978360_b.pdb or /var/tmp/from_scwrl_249978360_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 T0312 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FORTE1_AL4 # request to SCWRL produces command: ulimit -t 132 ; scwrl3 -i /var/tmp/to_scwrl_10234282.pdb -s /var/tmp/to_scwrl_10234282.seq -o /var/tmp/from_scwrl_10234282.pdb > /var/tmp/scwrl_10234282.log sh: /var/tmp/scwrl_10234282.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_10234282.pdb or /var/tmp/from_scwrl_10234282.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_10234282_b.pdb or decoys//var/tmp/from_scwrl_10234282_b.pdb.gz for input Trying /var/tmp/from_scwrl_10234282_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_10234282_b.pdb or /var/tmp/from_scwrl_10234282_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_10234282_a.pdb or decoys//var/tmp/from_scwrl_10234282_a.pdb.gz for input Trying /var/tmp/from_scwrl_10234282_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_10234282_a.pdb or /var/tmp/from_scwrl_10234282_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_10234282.pdb or /var/tmp/from_scwrl_10234282_b.pdb or /var/tmp/from_scwrl_10234282_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 T0312 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FORTE1_AL5 # request to SCWRL produces command: ulimit -t 132 ; scwrl3 -i /var/tmp/to_scwrl_391675912.pdb -s /var/tmp/to_scwrl_391675912.seq -o /var/tmp/from_scwrl_391675912.pdb > /var/tmp/scwrl_391675912.log sh: /var/tmp/scwrl_391675912.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_391675912.pdb or /var/tmp/from_scwrl_391675912.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_391675912_b.pdb or decoys//var/tmp/from_scwrl_391675912_b.pdb.gz for input Trying /var/tmp/from_scwrl_391675912_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_391675912_b.pdb or /var/tmp/from_scwrl_391675912_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_391675912_a.pdb or decoys//var/tmp/from_scwrl_391675912_a.pdb.gz for input Trying /var/tmp/from_scwrl_391675912_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_391675912_a.pdb or /var/tmp/from_scwrl_391675912_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_391675912.pdb or /var/tmp/from_scwrl_391675912_b.pdb or /var/tmp/from_scwrl_391675912_a.pdb Error: no new SCWRL conformation added # naming current conformation FORTE1_AL5-scwrl # ReadConformPDB reading from PDB file servers/FORTE2_AL1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0312 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FORTE2_AL1 # request to SCWRL produces command: ulimit -t 132 ; scwrl3 -i /var/tmp/to_scwrl_142532394.pdb -s /var/tmp/to_scwrl_142532394.seq -o /var/tmp/from_scwrl_142532394.pdb > /var/tmp/scwrl_142532394.log sh: /var/tmp/scwrl_142532394.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_142532394.pdb or /var/tmp/from_scwrl_142532394.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_142532394_b.pdb or decoys//var/tmp/from_scwrl_142532394_b.pdb.gz for input Trying /var/tmp/from_scwrl_142532394_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_142532394_b.pdb or /var/tmp/from_scwrl_142532394_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_142532394_a.pdb or decoys//var/tmp/from_scwrl_142532394_a.pdb.gz for input Trying /var/tmp/from_scwrl_142532394_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_142532394_a.pdb or /var/tmp/from_scwrl_142532394_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_142532394.pdb or /var/tmp/from_scwrl_142532394_b.pdb or /var/tmp/from_scwrl_142532394_a.pdb Error: no new SCWRL conformation added # naming current conformation FORTE2_AL1-scwrl # ReadConformPDB reading from PDB file servers/FORTE2_AL2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0312 can't currently be optimized by undertaker # naming current conformation FORTE2_AL2 # request to SCWRL produces command: ulimit -t 132 ; scwrl3 -i /var/tmp/to_scwrl_716396470.pdb -s /var/tmp/to_scwrl_716396470.seq -o /var/tmp/from_scwrl_716396470.pdb > /var/tmp/scwrl_716396470.log sh: /var/tmp/scwrl_716396470.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_716396470.pdb or /var/tmp/from_scwrl_716396470.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_716396470_b.pdb or decoys//var/tmp/from_scwrl_716396470_b.pdb.gz for input Trying /var/tmp/from_scwrl_716396470_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_716396470_b.pdb or /var/tmp/from_scwrl_716396470_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_716396470_a.pdb or decoys//var/tmp/from_scwrl_716396470_a.pdb.gz for input Trying /var/tmp/from_scwrl_716396470_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_716396470_a.pdb or /var/tmp/from_scwrl_716396470_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_716396470.pdb or /var/tmp/from_scwrl_716396470_b.pdb or /var/tmp/from_scwrl_716396470_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 T0312 can't currently be optimized by undertaker # naming current conformation FORTE2_AL3 # request to SCWRL produces command: ulimit -t 132 ; scwrl3 -i /var/tmp/to_scwrl_890533951.pdb -s /var/tmp/to_scwrl_890533951.seq -o /var/tmp/from_scwrl_890533951.pdb > /var/tmp/scwrl_890533951.log sh: /var/tmp/scwrl_890533951.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_890533951.pdb or /var/tmp/from_scwrl_890533951.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_890533951_b.pdb or decoys//var/tmp/from_scwrl_890533951_b.pdb.gz for input Trying /var/tmp/from_scwrl_890533951_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_890533951_b.pdb or /var/tmp/from_scwrl_890533951_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_890533951_a.pdb or decoys//var/tmp/from_scwrl_890533951_a.pdb.gz for input Trying /var/tmp/from_scwrl_890533951_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_890533951_a.pdb or /var/tmp/from_scwrl_890533951_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_890533951.pdb or /var/tmp/from_scwrl_890533951_b.pdb or /var/tmp/from_scwrl_890533951_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 T0312 can't currently be optimized by undertaker # naming current conformation FORTE2_AL4 # request to SCWRL produces command: ulimit -t 132 ; scwrl3 -i /var/tmp/to_scwrl_1574521138.pdb -s /var/tmp/to_scwrl_1574521138.seq -o /var/tmp/from_scwrl_1574521138.pdb > /var/tmp/scwrl_1574521138.log sh: /var/tmp/scwrl_1574521138.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1574521138.pdb or /var/tmp/from_scwrl_1574521138.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1574521138_b.pdb or decoys//var/tmp/from_scwrl_1574521138_b.pdb.gz for input Trying /var/tmp/from_scwrl_1574521138_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1574521138_b.pdb or /var/tmp/from_scwrl_1574521138_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1574521138_a.pdb or decoys//var/tmp/from_scwrl_1574521138_a.pdb.gz for input Trying /var/tmp/from_scwrl_1574521138_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1574521138_a.pdb or /var/tmp/from_scwrl_1574521138_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1574521138.pdb or /var/tmp/from_scwrl_1574521138_b.pdb or /var/tmp/from_scwrl_1574521138_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 T0312 can't currently be optimized by undertaker # naming current conformation FORTE2_AL5 # request to SCWRL produces command: ulimit -t 132 ; scwrl3 -i /var/tmp/to_scwrl_130206929.pdb -s /var/tmp/to_scwrl_130206929.seq -o /var/tmp/from_scwrl_130206929.pdb > /var/tmp/scwrl_130206929.log sh: /var/tmp/scwrl_130206929.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_130206929.pdb or /var/tmp/from_scwrl_130206929.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_130206929_b.pdb or decoys//var/tmp/from_scwrl_130206929_b.pdb.gz for input Trying /var/tmp/from_scwrl_130206929_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_130206929_b.pdb or /var/tmp/from_scwrl_130206929_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_130206929_a.pdb or decoys//var/tmp/from_scwrl_130206929_a.pdb.gz for input Trying /var/tmp/from_scwrl_130206929_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_130206929_a.pdb or /var/tmp/from_scwrl_130206929_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_130206929.pdb or /var/tmp/from_scwrl_130206929_b.pdb or /var/tmp/from_scwrl_130206929_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 124 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS1 # request to SCWRL produces command: ulimit -t 132 ; scwrl3 -i /var/tmp/to_scwrl_1580807028.pdb -s /var/tmp/to_scwrl_1580807028.seq -o /var/tmp/from_scwrl_1580807028.pdb > /var/tmp/scwrl_1580807028.log sh: /var/tmp/scwrl_1580807028.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1580807028.pdb or /var/tmp/from_scwrl_1580807028.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1580807028_b.pdb or decoys//var/tmp/from_scwrl_1580807028_b.pdb.gz for input Trying /var/tmp/from_scwrl_1580807028_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1580807028_b.pdb or /var/tmp/from_scwrl_1580807028_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1580807028_a.pdb or decoys//var/tmp/from_scwrl_1580807028_a.pdb.gz for input Trying /var/tmp/from_scwrl_1580807028_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1580807028_a.pdb or /var/tmp/from_scwrl_1580807028_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1580807028.pdb or /var/tmp/from_scwrl_1580807028_b.pdb or /var/tmp/from_scwrl_1580807028_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 109 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS2 # request to SCWRL produces command: ulimit -t 132 ; scwrl3 -i /var/tmp/to_scwrl_466492293.pdb -s /var/tmp/to_scwrl_466492293.seq -o /var/tmp/from_scwrl_466492293.pdb > /var/tmp/scwrl_466492293.log sh: /var/tmp/scwrl_466492293.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_466492293.pdb or /var/tmp/from_scwrl_466492293.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_466492293_b.pdb or decoys//var/tmp/from_scwrl_466492293_b.pdb.gz for input Trying /var/tmp/from_scwrl_466492293_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_466492293_b.pdb or /var/tmp/from_scwrl_466492293_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_466492293_a.pdb or decoys//var/tmp/from_scwrl_466492293_a.pdb.gz for input Trying /var/tmp/from_scwrl_466492293_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_466492293_a.pdb or /var/tmp/from_scwrl_466492293_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_466492293.pdb or /var/tmp/from_scwrl_466492293_b.pdb or /var/tmp/from_scwrl_466492293_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 89 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS3 # request to SCWRL produces command: ulimit -t 132 ; scwrl3 -i /var/tmp/to_scwrl_1479856803.pdb -s /var/tmp/to_scwrl_1479856803.seq -o /var/tmp/from_scwrl_1479856803.pdb > /var/tmp/scwrl_1479856803.log sh: /var/tmp/scwrl_1479856803.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1479856803.pdb or /var/tmp/from_scwrl_1479856803.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1479856803_b.pdb or decoys//var/tmp/from_scwrl_1479856803_b.pdb.gz for input Trying /var/tmp/from_scwrl_1479856803_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1479856803_b.pdb or /var/tmp/from_scwrl_1479856803_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1479856803_a.pdb or decoys//var/tmp/from_scwrl_1479856803_a.pdb.gz for input Trying /var/tmp/from_scwrl_1479856803_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1479856803_a.pdb or /var/tmp/from_scwrl_1479856803_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1479856803.pdb or /var/tmp/from_scwrl_1479856803_b.pdb or /var/tmp/from_scwrl_1479856803_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 138 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS4 # request to SCWRL produces command: ulimit -t 132 ; scwrl3 -i /var/tmp/to_scwrl_504703496.pdb -s /var/tmp/to_scwrl_504703496.seq -o /var/tmp/from_scwrl_504703496.pdb > /var/tmp/scwrl_504703496.log sh: /var/tmp/scwrl_504703496.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_504703496.pdb or /var/tmp/from_scwrl_504703496.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_504703496_b.pdb or decoys//var/tmp/from_scwrl_504703496_b.pdb.gz for input Trying /var/tmp/from_scwrl_504703496_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_504703496_b.pdb or /var/tmp/from_scwrl_504703496_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_504703496_a.pdb or decoys//var/tmp/from_scwrl_504703496_a.pdb.gz for input Trying /var/tmp/from_scwrl_504703496_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_504703496_a.pdb or /var/tmp/from_scwrl_504703496_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_504703496.pdb or /var/tmp/from_scwrl_504703496_b.pdb or /var/tmp/from_scwrl_504703496_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 53 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS5 # request to SCWRL produces command: ulimit -t 132 ; scwrl3 -i /var/tmp/to_scwrl_1019754920.pdb -s /var/tmp/to_scwrl_1019754920.seq -o /var/tmp/from_scwrl_1019754920.pdb > /var/tmp/scwrl_1019754920.log sh: /var/tmp/scwrl_1019754920.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1019754920.pdb or /var/tmp/from_scwrl_1019754920.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1019754920_b.pdb or decoys//var/tmp/from_scwrl_1019754920_b.pdb.gz for input Trying /var/tmp/from_scwrl_1019754920_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1019754920_b.pdb or /var/tmp/from_scwrl_1019754920_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1019754920_a.pdb or decoys//var/tmp/from_scwrl_1019754920_a.pdb.gz for input Trying /var/tmp/from_scwrl_1019754920_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1019754920_a.pdb or /var/tmp/from_scwrl_1019754920_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1019754920.pdb or /var/tmp/from_scwrl_1019754920_b.pdb or /var/tmp/from_scwrl_1019754920_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 T0312 can't currently be optimized by undertaker # naming current conformation FUGMOD_TS1 # request to SCWRL produces command: ulimit -t 132 ; scwrl3 -i /var/tmp/to_scwrl_652870775.pdb -s /var/tmp/to_scwrl_652870775.seq -o /var/tmp/from_scwrl_652870775.pdb > /var/tmp/scwrl_652870775.log sh: /var/tmp/scwrl_652870775.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_652870775.pdb or /var/tmp/from_scwrl_652870775.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_652870775_b.pdb or decoys//var/tmp/from_scwrl_652870775_b.pdb.gz for input Trying /var/tmp/from_scwrl_652870775_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_652870775_b.pdb or /var/tmp/from_scwrl_652870775_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_652870775_a.pdb or decoys//var/tmp/from_scwrl_652870775_a.pdb.gz for input Trying /var/tmp/from_scwrl_652870775_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_652870775_a.pdb or /var/tmp/from_scwrl_652870775_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_652870775.pdb or /var/tmp/from_scwrl_652870775_b.pdb or /var/tmp/from_scwrl_652870775_a.pdb Error: no new SCWRL conformation added # naming current conformation FUGMOD_TS1-scwrl # ReadConformPDB reading from PDB file servers/FUGMOD_TS2.pdb.gz looking for model 1 # naming current conformation FUGMOD_TS2 # request to SCWRL produces command: ulimit -t 132 ; scwrl3 -i /var/tmp/to_scwrl_1021930596.pdb -s /var/tmp/to_scwrl_1021930596.seq -o /var/tmp/from_scwrl_1021930596.pdb > /var/tmp/scwrl_1021930596.log sh: /var/tmp/scwrl_1021930596.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1021930596.pdb or /var/tmp/from_scwrl_1021930596.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1021930596_b.pdb or decoys//var/tmp/from_scwrl_1021930596_b.pdb.gz for input Trying /var/tmp/from_scwrl_1021930596_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1021930596_b.pdb or /var/tmp/from_scwrl_1021930596_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1021930596_a.pdb or decoys//var/tmp/from_scwrl_1021930596_a.pdb.gz for input Trying /var/tmp/from_scwrl_1021930596_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1021930596_a.pdb or /var/tmp/from_scwrl_1021930596_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1021930596.pdb or /var/tmp/from_scwrl_1021930596_b.pdb or /var/tmp/from_scwrl_1021930596_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 T0312 can't currently be optimized by undertaker # naming current conformation FUGMOD_TS3 # request to SCWRL produces command: ulimit -t 132 ; scwrl3 -i /var/tmp/to_scwrl_951451102.pdb -s /var/tmp/to_scwrl_951451102.seq -o /var/tmp/from_scwrl_951451102.pdb > /var/tmp/scwrl_951451102.log sh: /var/tmp/scwrl_951451102.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_951451102.pdb or /var/tmp/from_scwrl_951451102.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_951451102_b.pdb or decoys//var/tmp/from_scwrl_951451102_b.pdb.gz for input Trying /var/tmp/from_scwrl_951451102_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_951451102_b.pdb or /var/tmp/from_scwrl_951451102_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_951451102_a.pdb or decoys//var/tmp/from_scwrl_951451102_a.pdb.gz for input Trying /var/tmp/from_scwrl_951451102_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_951451102_a.pdb or /var/tmp/from_scwrl_951451102_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_951451102.pdb or /var/tmp/from_scwrl_951451102_b.pdb or /var/tmp/from_scwrl_951451102_a.pdb Error: no new SCWRL conformation added # naming current conformation FUGMOD_TS3-scwrl # ReadConformPDB reading from PDB file servers/FUGMOD_TS4.pdb.gz looking for model 1 # Found a chain break before 89 # copying to AlignedFragments data structure # naming current conformation FUGMOD_TS4 # request to SCWRL produces command: ulimit -t 132 ; scwrl3 -i /var/tmp/to_scwrl_1921439918.pdb -s /var/tmp/to_scwrl_1921439918.seq -o /var/tmp/from_scwrl_1921439918.pdb > /var/tmp/scwrl_1921439918.log sh: /var/tmp/scwrl_1921439918.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1921439918.pdb or /var/tmp/from_scwrl_1921439918.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1921439918_b.pdb or decoys//var/tmp/from_scwrl_1921439918_b.pdb.gz for input Trying /var/tmp/from_scwrl_1921439918_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1921439918_b.pdb or /var/tmp/from_scwrl_1921439918_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1921439918_a.pdb or decoys//var/tmp/from_scwrl_1921439918_a.pdb.gz for input Trying /var/tmp/from_scwrl_1921439918_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1921439918_a.pdb or /var/tmp/from_scwrl_1921439918_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1921439918.pdb or /var/tmp/from_scwrl_1921439918_b.pdb or /var/tmp/from_scwrl_1921439918_a.pdb Error: no new SCWRL conformation added # naming current conformation FUGMOD_TS4-scwrl # ReadConformPDB reading from PDB file servers/FUGMOD_TS5.pdb.gz looking for model 1 # Found a chain break before 66 # copying to AlignedFragments data structure # naming current conformation FUGMOD_TS5 # request to SCWRL produces command: ulimit -t 132 ; scwrl3 -i /var/tmp/to_scwrl_1970197278.pdb -s /var/tmp/to_scwrl_1970197278.seq -o /var/tmp/from_scwrl_1970197278.pdb > /var/tmp/scwrl_1970197278.log sh: /var/tmp/scwrl_1970197278.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1970197278.pdb or /var/tmp/from_scwrl_1970197278.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1970197278_b.pdb or decoys//var/tmp/from_scwrl_1970197278_b.pdb.gz for input Trying /var/tmp/from_scwrl_1970197278_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1970197278_b.pdb or /var/tmp/from_scwrl_1970197278_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1970197278_a.pdb or decoys//var/tmp/from_scwrl_1970197278_a.pdb.gz for input Trying /var/tmp/from_scwrl_1970197278_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1970197278_a.pdb or /var/tmp/from_scwrl_1970197278_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1970197278.pdb or /var/tmp/from_scwrl_1970197278_b.pdb or /var/tmp/from_scwrl_1970197278_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 T0312 can't currently be optimized by undertaker # naming current conformation FUGUE_AL1 # request to SCWRL produces command: ulimit -t 132 ; scwrl3 -i /var/tmp/to_scwrl_1889406109.pdb -s /var/tmp/to_scwrl_1889406109.seq -o /var/tmp/from_scwrl_1889406109.pdb > /var/tmp/scwrl_1889406109.log sh: /var/tmp/scwrl_1889406109.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1889406109.pdb or /var/tmp/from_scwrl_1889406109.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1889406109_b.pdb or decoys//var/tmp/from_scwrl_1889406109_b.pdb.gz for input Trying /var/tmp/from_scwrl_1889406109_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1889406109_b.pdb or /var/tmp/from_scwrl_1889406109_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1889406109_a.pdb or decoys//var/tmp/from_scwrl_1889406109_a.pdb.gz for input Trying /var/tmp/from_scwrl_1889406109_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1889406109_a.pdb or /var/tmp/from_scwrl_1889406109_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1889406109.pdb or /var/tmp/from_scwrl_1889406109_b.pdb or /var/tmp/from_scwrl_1889406109_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 T0312 can't currently be optimized by undertaker # naming current conformation FUGUE_AL2 # request to SCWRL produces command: ulimit -t 132 ; scwrl3 -i /var/tmp/to_scwrl_1239256511.pdb -s /var/tmp/to_scwrl_1239256511.seq -o /var/tmp/from_scwrl_1239256511.pdb > /var/tmp/scwrl_1239256511.log sh: /var/tmp/scwrl_1239256511.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1239256511.pdb or /var/tmp/from_scwrl_1239256511.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1239256511_b.pdb or decoys//var/tmp/from_scwrl_1239256511_b.pdb.gz for input Trying /var/tmp/from_scwrl_1239256511_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1239256511_b.pdb or /var/tmp/from_scwrl_1239256511_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1239256511_a.pdb or decoys//var/tmp/from_scwrl_1239256511_a.pdb.gz for input Trying /var/tmp/from_scwrl_1239256511_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1239256511_a.pdb or /var/tmp/from_scwrl_1239256511_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1239256511.pdb or /var/tmp/from_scwrl_1239256511_b.pdb or /var/tmp/from_scwrl_1239256511_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 T0312 can't currently be optimized by undertaker # naming current conformation FUGUE_AL3 # request to SCWRL produces command: ulimit -t 132 ; scwrl3 -i /var/tmp/to_scwrl_70872702.pdb -s /var/tmp/to_scwrl_70872702.seq -o /var/tmp/from_scwrl_70872702.pdb > /var/tmp/scwrl_70872702.log sh: /var/tmp/scwrl_70872702.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_70872702.pdb or /var/tmp/from_scwrl_70872702.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_70872702_b.pdb or decoys//var/tmp/from_scwrl_70872702_b.pdb.gz for input Trying /var/tmp/from_scwrl_70872702_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_70872702_b.pdb or /var/tmp/from_scwrl_70872702_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_70872702_a.pdb or decoys//var/tmp/from_scwrl_70872702_a.pdb.gz for input Trying /var/tmp/from_scwrl_70872702_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_70872702_a.pdb or /var/tmp/from_scwrl_70872702_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_70872702.pdb or /var/tmp/from_scwrl_70872702_b.pdb or /var/tmp/from_scwrl_70872702_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 T0312 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FUGUE_AL4 # request to SCWRL produces command: ulimit -t 132 ; scwrl3 -i /var/tmp/to_scwrl_948603635.pdb -s /var/tmp/to_scwrl_948603635.seq -o /var/tmp/from_scwrl_948603635.pdb > /var/tmp/scwrl_948603635.log sh: /var/tmp/scwrl_948603635.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_948603635.pdb or /var/tmp/from_scwrl_948603635.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_948603635_b.pdb or decoys//var/tmp/from_scwrl_948603635_b.pdb.gz for input Trying /var/tmp/from_scwrl_948603635_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_948603635_b.pdb or /var/tmp/from_scwrl_948603635_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_948603635_a.pdb or decoys//var/tmp/from_scwrl_948603635_a.pdb.gz for input Trying /var/tmp/from_scwrl_948603635_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_948603635_a.pdb or /var/tmp/from_scwrl_948603635_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_948603635.pdb or /var/tmp/from_scwrl_948603635_b.pdb or /var/tmp/from_scwrl_948603635_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 T0312 can't currently be optimized by undertaker # naming current conformation FUGUE_AL5 # request to SCWRL produces command: ulimit -t 132 ; scwrl3 -i /var/tmp/to_scwrl_140792425.pdb -s /var/tmp/to_scwrl_140792425.seq -o /var/tmp/from_scwrl_140792425.pdb > /var/tmp/scwrl_140792425.log sh: /var/tmp/scwrl_140792425.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_140792425.pdb or /var/tmp/from_scwrl_140792425.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_140792425_b.pdb or decoys//var/tmp/from_scwrl_140792425_b.pdb.gz for input Trying /var/tmp/from_scwrl_140792425_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_140792425_b.pdb or /var/tmp/from_scwrl_140792425_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_140792425_a.pdb or decoys//var/tmp/from_scwrl_140792425_a.pdb.gz for input Trying /var/tmp/from_scwrl_140792425_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_140792425_a.pdb or /var/tmp/from_scwrl_140792425_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_140792425.pdb or /var/tmp/from_scwrl_140792425_b.pdb or /var/tmp/from_scwrl_140792425_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 133 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS1 # request to SCWRL produces command: ulimit -t 132 ; scwrl3 -i /var/tmp/to_scwrl_971930457.pdb -s /var/tmp/to_scwrl_971930457.seq -o /var/tmp/from_scwrl_971930457.pdb > /var/tmp/scwrl_971930457.log sh: /var/tmp/scwrl_971930457.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_971930457.pdb or /var/tmp/from_scwrl_971930457.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_971930457_b.pdb or decoys//var/tmp/from_scwrl_971930457_b.pdb.gz for input Trying /var/tmp/from_scwrl_971930457_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_971930457_b.pdb or /var/tmp/from_scwrl_971930457_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_971930457_a.pdb or decoys//var/tmp/from_scwrl_971930457_a.pdb.gz for input Trying /var/tmp/from_scwrl_971930457_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_971930457_a.pdb or /var/tmp/from_scwrl_971930457_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_971930457.pdb or /var/tmp/from_scwrl_971930457_b.pdb or /var/tmp/from_scwrl_971930457_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 140 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS2 # request to SCWRL produces command: ulimit -t 132 ; scwrl3 -i /var/tmp/to_scwrl_985233473.pdb -s /var/tmp/to_scwrl_985233473.seq -o /var/tmp/from_scwrl_985233473.pdb > /var/tmp/scwrl_985233473.log sh: /var/tmp/scwrl_985233473.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_985233473.pdb or /var/tmp/from_scwrl_985233473.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_985233473_b.pdb or decoys//var/tmp/from_scwrl_985233473_b.pdb.gz for input Trying /var/tmp/from_scwrl_985233473_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_985233473_b.pdb or /var/tmp/from_scwrl_985233473_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_985233473_a.pdb or decoys//var/tmp/from_scwrl_985233473_a.pdb.gz for input Trying /var/tmp/from_scwrl_985233473_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_985233473_a.pdb or /var/tmp/from_scwrl_985233473_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_985233473.pdb or /var/tmp/from_scwrl_985233473_b.pdb or /var/tmp/from_scwrl_985233473_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 118 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS3 # request to SCWRL produces command: ulimit -t 132 ; scwrl3 -i /var/tmp/to_scwrl_2135164076.pdb -s /var/tmp/to_scwrl_2135164076.seq -o /var/tmp/from_scwrl_2135164076.pdb > /var/tmp/scwrl_2135164076.log sh: /var/tmp/scwrl_2135164076.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_2135164076.pdb or /var/tmp/from_scwrl_2135164076.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2135164076_b.pdb or decoys//var/tmp/from_scwrl_2135164076_b.pdb.gz for input Trying /var/tmp/from_scwrl_2135164076_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_2135164076_b.pdb or /var/tmp/from_scwrl_2135164076_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2135164076_a.pdb or decoys//var/tmp/from_scwrl_2135164076_a.pdb.gz for input Trying /var/tmp/from_scwrl_2135164076_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_2135164076_a.pdb or /var/tmp/from_scwrl_2135164076_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_2135164076.pdb or /var/tmp/from_scwrl_2135164076_b.pdb or /var/tmp/from_scwrl_2135164076_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 135 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS4 # request to SCWRL produces command: ulimit -t 132 ; scwrl3 -i /var/tmp/to_scwrl_368123803.pdb -s /var/tmp/to_scwrl_368123803.seq -o /var/tmp/from_scwrl_368123803.pdb > /var/tmp/scwrl_368123803.log sh: /var/tmp/scwrl_368123803.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_368123803.pdb or /var/tmp/from_scwrl_368123803.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_368123803_b.pdb or decoys//var/tmp/from_scwrl_368123803_b.pdb.gz for input Trying /var/tmp/from_scwrl_368123803_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_368123803_b.pdb or /var/tmp/from_scwrl_368123803_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_368123803_a.pdb or decoys//var/tmp/from_scwrl_368123803_a.pdb.gz for input Trying /var/tmp/from_scwrl_368123803_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_368123803_a.pdb or /var/tmp/from_scwrl_368123803_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_368123803.pdb or /var/tmp/from_scwrl_368123803_b.pdb or /var/tmp/from_scwrl_368123803_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 139 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS5 # request to SCWRL produces command: ulimit -t 132 ; scwrl3 -i /var/tmp/to_scwrl_1752322428.pdb -s /var/tmp/to_scwrl_1752322428.seq -o /var/tmp/from_scwrl_1752322428.pdb > /var/tmp/scwrl_1752322428.log sh: /var/tmp/scwrl_1752322428.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1752322428.pdb or /var/tmp/from_scwrl_1752322428.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1752322428_b.pdb or decoys//var/tmp/from_scwrl_1752322428_b.pdb.gz for input Trying /var/tmp/from_scwrl_1752322428_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1752322428_b.pdb or /var/tmp/from_scwrl_1752322428_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1752322428_a.pdb or decoys//var/tmp/from_scwrl_1752322428_a.pdb.gz for input Trying /var/tmp/from_scwrl_1752322428_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1752322428_a.pdb or /var/tmp/from_scwrl_1752322428_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1752322428.pdb or /var/tmp/from_scwrl_1752322428_b.pdb or /var/tmp/from_scwrl_1752322428_a.pdb Error: no new SCWRL conformation added # naming current conformation FUNCTION_TS5-scwrl # ReadConformPDB reading from PDB file servers/GeneSilicoMetaServer_TS3.pdb.gz looking for model 1 # Found a chain break before 100 # copying to AlignedFragments data structure # naming current conformation GeneSilicoMetaServer_TS3 # request to SCWRL produces command: ulimit -t 132 ; scwrl3 -i /var/tmp/to_scwrl_428047736.pdb -s /var/tmp/to_scwrl_428047736.seq -o /var/tmp/from_scwrl_428047736.pdb > /var/tmp/scwrl_428047736.log sh: /var/tmp/scwrl_428047736.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_428047736.pdb or /var/tmp/from_scwrl_428047736.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_428047736_b.pdb or decoys//var/tmp/from_scwrl_428047736_b.pdb.gz for input Trying /var/tmp/from_scwrl_428047736_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_428047736_b.pdb or /var/tmp/from_scwrl_428047736_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_428047736_a.pdb or decoys//var/tmp/from_scwrl_428047736_a.pdb.gz for input Trying /var/tmp/from_scwrl_428047736_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_428047736_a.pdb or /var/tmp/from_scwrl_428047736_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_428047736.pdb or /var/tmp/from_scwrl_428047736_b.pdb or /var/tmp/from_scwrl_428047736_a.pdb Error: no new SCWRL conformation added # naming current conformation GeneSilicoMetaServer_TS3-scwrl # ReadConformPDB reading from PDB file servers/GeneSilicoMetaServer_TS4.pdb.gz looking for model 1 # Found a chain break before 98 # copying to AlignedFragments data structure # naming current conformation GeneSilicoMetaServer_TS4 # request to SCWRL produces command: ulimit -t 132 ; scwrl3 -i /var/tmp/to_scwrl_416659739.pdb -s /var/tmp/to_scwrl_416659739.seq -o /var/tmp/from_scwrl_416659739.pdb > /var/tmp/scwrl_416659739.log sh: /var/tmp/scwrl_416659739.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_416659739.pdb or /var/tmp/from_scwrl_416659739.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_416659739_b.pdb or decoys//var/tmp/from_scwrl_416659739_b.pdb.gz for input Trying /var/tmp/from_scwrl_416659739_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_416659739_b.pdb or /var/tmp/from_scwrl_416659739_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_416659739_a.pdb or decoys//var/tmp/from_scwrl_416659739_a.pdb.gz for input Trying /var/tmp/from_scwrl_416659739_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_416659739_a.pdb or /var/tmp/from_scwrl_416659739_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_416659739.pdb or /var/tmp/from_scwrl_416659739_b.pdb or /var/tmp/from_scwrl_416659739_a.pdb Error: no new SCWRL conformation added # naming current conformation GeneSilicoMetaServer_TS4-scwrl # ReadConformPDB reading from PDB file servers/GeneSilicoMetaServer_TS5.pdb.gz looking for model 1 # Found a chain break before 112 # copying to AlignedFragments data structure # naming current conformation GeneSilicoMetaServer_TS5 # request to SCWRL produces command: ulimit -t 132 ; scwrl3 -i /var/tmp/to_scwrl_817161422.pdb -s /var/tmp/to_scwrl_817161422.seq -o /var/tmp/from_scwrl_817161422.pdb > /var/tmp/scwrl_817161422.log sh: /var/tmp/scwrl_817161422.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_817161422.pdb or /var/tmp/from_scwrl_817161422.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_817161422_b.pdb or decoys//var/tmp/from_scwrl_817161422_b.pdb.gz for input Trying /var/tmp/from_scwrl_817161422_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_817161422_b.pdb or /var/tmp/from_scwrl_817161422_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_817161422_a.pdb or decoys//var/tmp/from_scwrl_817161422_a.pdb.gz for input Trying /var/tmp/from_scwrl_817161422_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_817161422_a.pdb or /var/tmp/from_scwrl_817161422_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_817161422.pdb or /var/tmp/from_scwrl_817161422_b.pdb or /var/tmp/from_scwrl_817161422_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 112 # copying to AlignedFragments data structure # naming current conformation HHpred1_TS1 # request to SCWRL produces command: ulimit -t 132 ; scwrl3 -i /var/tmp/to_scwrl_678026096.pdb -s /var/tmp/to_scwrl_678026096.seq -o /var/tmp/from_scwrl_678026096.pdb > /var/tmp/scwrl_678026096.log sh: /var/tmp/scwrl_678026096.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_678026096.pdb or /var/tmp/from_scwrl_678026096.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_678026096_b.pdb or decoys//var/tmp/from_scwrl_678026096_b.pdb.gz for input Trying /var/tmp/from_scwrl_678026096_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_678026096_b.pdb or /var/tmp/from_scwrl_678026096_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_678026096_a.pdb or decoys//var/tmp/from_scwrl_678026096_a.pdb.gz for input Trying /var/tmp/from_scwrl_678026096_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_678026096_a.pdb or /var/tmp/from_scwrl_678026096_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_678026096.pdb or /var/tmp/from_scwrl_678026096_b.pdb or /var/tmp/from_scwrl_678026096_a.pdb Error: no new SCWRL conformation added # naming current conformation HHpred1_TS1-scwrl # ReadConformPDB reading from PDB file servers/HHpred2_TS1.pdb.gz looking for model 1 # naming current conformation HHpred2_TS1 # request to SCWRL produces command: ulimit -t 132 ; scwrl3 -i /var/tmp/to_scwrl_426894021.pdb -s /var/tmp/to_scwrl_426894021.seq -o /var/tmp/from_scwrl_426894021.pdb > /var/tmp/scwrl_426894021.log sh: /var/tmp/scwrl_426894021.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_426894021.pdb or /var/tmp/from_scwrl_426894021.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_426894021_b.pdb or decoys//var/tmp/from_scwrl_426894021_b.pdb.gz for input Trying /var/tmp/from_scwrl_426894021_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_426894021_b.pdb or /var/tmp/from_scwrl_426894021_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_426894021_a.pdb or decoys//var/tmp/from_scwrl_426894021_a.pdb.gz for input Trying /var/tmp/from_scwrl_426894021_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_426894021_a.pdb or /var/tmp/from_scwrl_426894021_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_426894021.pdb or /var/tmp/from_scwrl_426894021_b.pdb or /var/tmp/from_scwrl_426894021_a.pdb Error: no new SCWRL conformation added # naming current conformation HHpred2_TS1-scwrl # ReadConformPDB reading from PDB file servers/HHpred3_TS1.pdb.gz looking for model 1 # naming current conformation HHpred3_TS1 # request to SCWRL produces command: ulimit -t 132 ; scwrl3 -i /var/tmp/to_scwrl_1208837333.pdb -s /var/tmp/to_scwrl_1208837333.seq -o /var/tmp/from_scwrl_1208837333.pdb > /var/tmp/scwrl_1208837333.log sh: /var/tmp/scwrl_1208837333.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1208837333.pdb or /var/tmp/from_scwrl_1208837333.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1208837333_b.pdb or decoys//var/tmp/from_scwrl_1208837333_b.pdb.gz for input Trying /var/tmp/from_scwrl_1208837333_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1208837333_b.pdb or /var/tmp/from_scwrl_1208837333_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1208837333_a.pdb or decoys//var/tmp/from_scwrl_1208837333_a.pdb.gz for input Trying /var/tmp/from_scwrl_1208837333_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1208837333_a.pdb or /var/tmp/from_scwrl_1208837333_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1208837333.pdb or /var/tmp/from_scwrl_1208837333_b.pdb or /var/tmp/from_scwrl_1208837333_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 T0312 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS1 # request to SCWRL produces command: ulimit -t 132 ; scwrl3 -i /var/tmp/to_scwrl_820558490.pdb -s /var/tmp/to_scwrl_820558490.seq -o /var/tmp/from_scwrl_820558490.pdb > /var/tmp/scwrl_820558490.log sh: /var/tmp/scwrl_820558490.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_820558490.pdb or /var/tmp/from_scwrl_820558490.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_820558490_b.pdb or decoys//var/tmp/from_scwrl_820558490_b.pdb.gz for input Trying /var/tmp/from_scwrl_820558490_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_820558490_b.pdb or /var/tmp/from_scwrl_820558490_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_820558490_a.pdb or decoys//var/tmp/from_scwrl_820558490_a.pdb.gz for input Trying /var/tmp/from_scwrl_820558490_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_820558490_a.pdb or /var/tmp/from_scwrl_820558490_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_820558490.pdb or /var/tmp/from_scwrl_820558490_b.pdb or /var/tmp/from_scwrl_820558490_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 T0312 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS2 # request to SCWRL produces command: ulimit -t 132 ; scwrl3 -i /var/tmp/to_scwrl_1143290490.pdb -s /var/tmp/to_scwrl_1143290490.seq -o /var/tmp/from_scwrl_1143290490.pdb > /var/tmp/scwrl_1143290490.log sh: /var/tmp/scwrl_1143290490.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1143290490.pdb or /var/tmp/from_scwrl_1143290490.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1143290490_b.pdb or decoys//var/tmp/from_scwrl_1143290490_b.pdb.gz for input Trying /var/tmp/from_scwrl_1143290490_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1143290490_b.pdb or /var/tmp/from_scwrl_1143290490_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1143290490_a.pdb or decoys//var/tmp/from_scwrl_1143290490_a.pdb.gz for input Trying /var/tmp/from_scwrl_1143290490_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1143290490_a.pdb or /var/tmp/from_scwrl_1143290490_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1143290490.pdb or /var/tmp/from_scwrl_1143290490_b.pdb or /var/tmp/from_scwrl_1143290490_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 T0312 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS3 # request to SCWRL produces command: ulimit -t 132 ; scwrl3 -i /var/tmp/to_scwrl_2099371285.pdb -s /var/tmp/to_scwrl_2099371285.seq -o /var/tmp/from_scwrl_2099371285.pdb > /var/tmp/scwrl_2099371285.log sh: /var/tmp/scwrl_2099371285.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_2099371285.pdb or /var/tmp/from_scwrl_2099371285.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2099371285_b.pdb or decoys//var/tmp/from_scwrl_2099371285_b.pdb.gz for input Trying /var/tmp/from_scwrl_2099371285_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_2099371285_b.pdb or /var/tmp/from_scwrl_2099371285_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2099371285_a.pdb or decoys//var/tmp/from_scwrl_2099371285_a.pdb.gz for input Trying /var/tmp/from_scwrl_2099371285_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_2099371285_a.pdb or /var/tmp/from_scwrl_2099371285_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_2099371285.pdb or /var/tmp/from_scwrl_2099371285_b.pdb or /var/tmp/from_scwrl_2099371285_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 T0312 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS4 # request to SCWRL produces command: ulimit -t 132 ; scwrl3 -i /var/tmp/to_scwrl_247595981.pdb -s /var/tmp/to_scwrl_247595981.seq -o /var/tmp/from_scwrl_247595981.pdb > /var/tmp/scwrl_247595981.log sh: /var/tmp/scwrl_247595981.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_247595981.pdb or /var/tmp/from_scwrl_247595981.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_247595981_b.pdb or decoys//var/tmp/from_scwrl_247595981_b.pdb.gz for input Trying /var/tmp/from_scwrl_247595981_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_247595981_b.pdb or /var/tmp/from_scwrl_247595981_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_247595981_a.pdb or decoys//var/tmp/from_scwrl_247595981_a.pdb.gz for input Trying /var/tmp/from_scwrl_247595981_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_247595981_a.pdb or /var/tmp/from_scwrl_247595981_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_247595981.pdb or /var/tmp/from_scwrl_247595981_b.pdb or /var/tmp/from_scwrl_247595981_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 T0312 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS5 # request to SCWRL produces command: ulimit -t 132 ; scwrl3 -i /var/tmp/to_scwrl_1273497419.pdb -s /var/tmp/to_scwrl_1273497419.seq -o /var/tmp/from_scwrl_1273497419.pdb > /var/tmp/scwrl_1273497419.log sh: /var/tmp/scwrl_1273497419.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1273497419.pdb or /var/tmp/from_scwrl_1273497419.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1273497419_b.pdb or decoys//var/tmp/from_scwrl_1273497419_b.pdb.gz for input Trying /var/tmp/from_scwrl_1273497419_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1273497419_b.pdb or /var/tmp/from_scwrl_1273497419_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1273497419_a.pdb or decoys//var/tmp/from_scwrl_1273497419_a.pdb.gz for input Trying /var/tmp/from_scwrl_1273497419_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1273497419_a.pdb or /var/tmp/from_scwrl_1273497419_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1273497419.pdb or /var/tmp/from_scwrl_1273497419_b.pdb or /var/tmp/from_scwrl_1273497419_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 T0312 can't currently be optimized by undertaker # naming current conformation LOOPP_TS1 # request to SCWRL produces command: ulimit -t 132 ; scwrl3 -i /var/tmp/to_scwrl_1532694666.pdb -s /var/tmp/to_scwrl_1532694666.seq -o /var/tmp/from_scwrl_1532694666.pdb > /var/tmp/scwrl_1532694666.log sh: /var/tmp/scwrl_1532694666.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1532694666.pdb or /var/tmp/from_scwrl_1532694666.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1532694666_b.pdb or decoys//var/tmp/from_scwrl_1532694666_b.pdb.gz for input Trying /var/tmp/from_scwrl_1532694666_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1532694666_b.pdb or /var/tmp/from_scwrl_1532694666_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1532694666_a.pdb or decoys//var/tmp/from_scwrl_1532694666_a.pdb.gz for input Trying /var/tmp/from_scwrl_1532694666_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1532694666_a.pdb or /var/tmp/from_scwrl_1532694666_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1532694666.pdb or /var/tmp/from_scwrl_1532694666_b.pdb or /var/tmp/from_scwrl_1532694666_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 T0312 can't currently be optimized by undertaker # naming current conformation LOOPP_TS2 # request to SCWRL produces command: ulimit -t 132 ; scwrl3 -i /var/tmp/to_scwrl_714088275.pdb -s /var/tmp/to_scwrl_714088275.seq -o /var/tmp/from_scwrl_714088275.pdb > /var/tmp/scwrl_714088275.log sh: /var/tmp/scwrl_714088275.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_714088275.pdb or /var/tmp/from_scwrl_714088275.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_714088275_b.pdb or decoys//var/tmp/from_scwrl_714088275_b.pdb.gz for input Trying /var/tmp/from_scwrl_714088275_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_714088275_b.pdb or /var/tmp/from_scwrl_714088275_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_714088275_a.pdb or decoys//var/tmp/from_scwrl_714088275_a.pdb.gz for input Trying /var/tmp/from_scwrl_714088275_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_714088275_a.pdb or /var/tmp/from_scwrl_714088275_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_714088275.pdb or /var/tmp/from_scwrl_714088275_b.pdb or /var/tmp/from_scwrl_714088275_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 T0312 can't currently be optimized by undertaker # naming current conformation LOOPP_TS3 # request to SCWRL produces command: ulimit -t 132 ; scwrl3 -i /var/tmp/to_scwrl_605870577.pdb -s /var/tmp/to_scwrl_605870577.seq -o /var/tmp/from_scwrl_605870577.pdb > /var/tmp/scwrl_605870577.log sh: /var/tmp/scwrl_605870577.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_605870577.pdb or /var/tmp/from_scwrl_605870577.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_605870577_b.pdb or decoys//var/tmp/from_scwrl_605870577_b.pdb.gz for input Trying /var/tmp/from_scwrl_605870577_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_605870577_b.pdb or /var/tmp/from_scwrl_605870577_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_605870577_a.pdb or decoys//var/tmp/from_scwrl_605870577_a.pdb.gz for input Trying /var/tmp/from_scwrl_605870577_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_605870577_a.pdb or /var/tmp/from_scwrl_605870577_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_605870577.pdb or /var/tmp/from_scwrl_605870577_b.pdb or /var/tmp/from_scwrl_605870577_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 T0312 can't currently be optimized by undertaker # naming current conformation LOOPP_TS4 # request to SCWRL produces command: ulimit -t 132 ; scwrl3 -i /var/tmp/to_scwrl_2037398162.pdb -s /var/tmp/to_scwrl_2037398162.seq -o /var/tmp/from_scwrl_2037398162.pdb > /var/tmp/scwrl_2037398162.log sh: /var/tmp/scwrl_2037398162.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_2037398162.pdb or /var/tmp/from_scwrl_2037398162.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2037398162_b.pdb or decoys//var/tmp/from_scwrl_2037398162_b.pdb.gz for input Trying /var/tmp/from_scwrl_2037398162_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_2037398162_b.pdb or /var/tmp/from_scwrl_2037398162_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2037398162_a.pdb or decoys//var/tmp/from_scwrl_2037398162_a.pdb.gz for input Trying /var/tmp/from_scwrl_2037398162_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_2037398162_a.pdb or /var/tmp/from_scwrl_2037398162_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_2037398162.pdb or /var/tmp/from_scwrl_2037398162_b.pdb or /var/tmp/from_scwrl_2037398162_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 T0312 can't currently be optimized by undertaker # naming current conformation LOOPP_TS5 # request to SCWRL produces command: ulimit -t 132 ; scwrl3 -i /var/tmp/to_scwrl_1733843194.pdb -s /var/tmp/to_scwrl_1733843194.seq -o /var/tmp/from_scwrl_1733843194.pdb > /var/tmp/scwrl_1733843194.log sh: /var/tmp/scwrl_1733843194.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1733843194.pdb or /var/tmp/from_scwrl_1733843194.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1733843194_b.pdb or decoys//var/tmp/from_scwrl_1733843194_b.pdb.gz for input Trying /var/tmp/from_scwrl_1733843194_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1733843194_b.pdb or /var/tmp/from_scwrl_1733843194_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1733843194_a.pdb or decoys//var/tmp/from_scwrl_1733843194_a.pdb.gz for input Trying /var/tmp/from_scwrl_1733843194_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1733843194_a.pdb or /var/tmp/from_scwrl_1733843194_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1733843194.pdb or /var/tmp/from_scwrl_1733843194_b.pdb or /var/tmp/from_scwrl_1733843194_a.pdb Error: no new SCWRL conformation added # naming current conformation LOOPP_TS5-scwrl # ReadConformPDB reading from PDB file servers/Ma-OPUS-server_TS1.pdb.gz looking for model 1 # Found a chain break before 10 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS1 # request to SCWRL produces command: ulimit -t 132 ; scwrl3 -i /var/tmp/to_scwrl_1258741351.pdb -s /var/tmp/to_scwrl_1258741351.seq -o /var/tmp/from_scwrl_1258741351.pdb > /var/tmp/scwrl_1258741351.log sh: /var/tmp/scwrl_1258741351.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1258741351.pdb or /var/tmp/from_scwrl_1258741351.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1258741351_b.pdb or decoys//var/tmp/from_scwrl_1258741351_b.pdb.gz for input Trying /var/tmp/from_scwrl_1258741351_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1258741351_b.pdb or /var/tmp/from_scwrl_1258741351_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1258741351_a.pdb or decoys//var/tmp/from_scwrl_1258741351_a.pdb.gz for input Trying /var/tmp/from_scwrl_1258741351_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1258741351_a.pdb or /var/tmp/from_scwrl_1258741351_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1258741351.pdb or /var/tmp/from_scwrl_1258741351_b.pdb or /var/tmp/from_scwrl_1258741351_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 94 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS2 # request to SCWRL produces command: ulimit -t 132 ; scwrl3 -i /var/tmp/to_scwrl_911845111.pdb -s /var/tmp/to_scwrl_911845111.seq -o /var/tmp/from_scwrl_911845111.pdb > /var/tmp/scwrl_911845111.log sh: /var/tmp/scwrl_911845111.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_911845111.pdb or /var/tmp/from_scwrl_911845111.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_911845111_b.pdb or decoys//var/tmp/from_scwrl_911845111_b.pdb.gz for input Trying /var/tmp/from_scwrl_911845111_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_911845111_b.pdb or /var/tmp/from_scwrl_911845111_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_911845111_a.pdb or decoys//var/tmp/from_scwrl_911845111_a.pdb.gz for input Trying /var/tmp/from_scwrl_911845111_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_911845111_a.pdb or /var/tmp/from_scwrl_911845111_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_911845111.pdb or /var/tmp/from_scwrl_911845111_b.pdb or /var/tmp/from_scwrl_911845111_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 84 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS3 # request to SCWRL produces command: ulimit -t 132 ; scwrl3 -i /var/tmp/to_scwrl_537810650.pdb -s /var/tmp/to_scwrl_537810650.seq -o /var/tmp/from_scwrl_537810650.pdb > /var/tmp/scwrl_537810650.log sh: /var/tmp/scwrl_537810650.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_537810650.pdb or /var/tmp/from_scwrl_537810650.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_537810650_b.pdb or decoys//var/tmp/from_scwrl_537810650_b.pdb.gz for input Trying /var/tmp/from_scwrl_537810650_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_537810650_b.pdb or /var/tmp/from_scwrl_537810650_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_537810650_a.pdb or decoys//var/tmp/from_scwrl_537810650_a.pdb.gz for input Trying /var/tmp/from_scwrl_537810650_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_537810650_a.pdb or /var/tmp/from_scwrl_537810650_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_537810650.pdb or /var/tmp/from_scwrl_537810650_b.pdb or /var/tmp/from_scwrl_537810650_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 141 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS4 # request to SCWRL produces command: ulimit -t 132 ; scwrl3 -i /var/tmp/to_scwrl_1032697624.pdb -s /var/tmp/to_scwrl_1032697624.seq -o /var/tmp/from_scwrl_1032697624.pdb > /var/tmp/scwrl_1032697624.log sh: /var/tmp/scwrl_1032697624.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1032697624.pdb or /var/tmp/from_scwrl_1032697624.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1032697624_b.pdb or decoys//var/tmp/from_scwrl_1032697624_b.pdb.gz for input Trying /var/tmp/from_scwrl_1032697624_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1032697624_b.pdb or /var/tmp/from_scwrl_1032697624_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1032697624_a.pdb or decoys//var/tmp/from_scwrl_1032697624_a.pdb.gz for input Trying /var/tmp/from_scwrl_1032697624_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1032697624_a.pdb or /var/tmp/from_scwrl_1032697624_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1032697624.pdb or /var/tmp/from_scwrl_1032697624_b.pdb or /var/tmp/from_scwrl_1032697624_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 103 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS5 # request to SCWRL produces command: ulimit -t 132 ; scwrl3 -i /var/tmp/to_scwrl_734558742.pdb -s /var/tmp/to_scwrl_734558742.seq -o /var/tmp/from_scwrl_734558742.pdb > /var/tmp/scwrl_734558742.log sh: /var/tmp/scwrl_734558742.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_734558742.pdb or /var/tmp/from_scwrl_734558742.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_734558742_b.pdb or decoys//var/tmp/from_scwrl_734558742_b.pdb.gz for input Trying /var/tmp/from_scwrl_734558742_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_734558742_b.pdb or /var/tmp/from_scwrl_734558742_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_734558742_a.pdb or decoys//var/tmp/from_scwrl_734558742_a.pdb.gz for input Trying /var/tmp/from_scwrl_734558742_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_734558742_a.pdb or /var/tmp/from_scwrl_734558742_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_734558742.pdb or /var/tmp/from_scwrl_734558742_b.pdb or /var/tmp/from_scwrl_734558742_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 145 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS1 # request to SCWRL produces command: ulimit -t 132 ; scwrl3 -i /var/tmp/to_scwrl_279733112.pdb -s /var/tmp/to_scwrl_279733112.seq -o /var/tmp/from_scwrl_279733112.pdb > /var/tmp/scwrl_279733112.log sh: /var/tmp/scwrl_279733112.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_279733112.pdb or /var/tmp/from_scwrl_279733112.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_279733112_b.pdb or decoys//var/tmp/from_scwrl_279733112_b.pdb.gz for input Trying /var/tmp/from_scwrl_279733112_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_279733112_b.pdb or /var/tmp/from_scwrl_279733112_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_279733112_a.pdb or decoys//var/tmp/from_scwrl_279733112_a.pdb.gz for input Trying /var/tmp/from_scwrl_279733112_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_279733112_a.pdb or /var/tmp/from_scwrl_279733112_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_279733112.pdb or /var/tmp/from_scwrl_279733112_b.pdb or /var/tmp/from_scwrl_279733112_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 132 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS2 # request to SCWRL produces command: ulimit -t 132 ; scwrl3 -i /var/tmp/to_scwrl_124470488.pdb -s /var/tmp/to_scwrl_124470488.seq -o /var/tmp/from_scwrl_124470488.pdb > /var/tmp/scwrl_124470488.log sh: /var/tmp/scwrl_124470488.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_124470488.pdb or /var/tmp/from_scwrl_124470488.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_124470488_b.pdb or decoys//var/tmp/from_scwrl_124470488_b.pdb.gz for input Trying /var/tmp/from_scwrl_124470488_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_124470488_b.pdb or /var/tmp/from_scwrl_124470488_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_124470488_a.pdb or decoys//var/tmp/from_scwrl_124470488_a.pdb.gz for input Trying /var/tmp/from_scwrl_124470488_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_124470488_a.pdb or /var/tmp/from_scwrl_124470488_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_124470488.pdb or /var/tmp/from_scwrl_124470488_b.pdb or /var/tmp/from_scwrl_124470488_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 130 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS3 # request to SCWRL produces command: ulimit -t 132 ; scwrl3 -i /var/tmp/to_scwrl_805431444.pdb -s /var/tmp/to_scwrl_805431444.seq -o /var/tmp/from_scwrl_805431444.pdb > /var/tmp/scwrl_805431444.log sh: /var/tmp/scwrl_805431444.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_805431444.pdb or /var/tmp/from_scwrl_805431444.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_805431444_b.pdb or decoys//var/tmp/from_scwrl_805431444_b.pdb.gz for input Trying /var/tmp/from_scwrl_805431444_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_805431444_b.pdb or /var/tmp/from_scwrl_805431444_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_805431444_a.pdb or decoys//var/tmp/from_scwrl_805431444_a.pdb.gz for input Trying /var/tmp/from_scwrl_805431444_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_805431444_a.pdb or /var/tmp/from_scwrl_805431444_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_805431444.pdb or /var/tmp/from_scwrl_805431444_b.pdb or /var/tmp/from_scwrl_805431444_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 144 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS4 # request to SCWRL produces command: ulimit -t 132 ; scwrl3 -i /var/tmp/to_scwrl_1228336746.pdb -s /var/tmp/to_scwrl_1228336746.seq -o /var/tmp/from_scwrl_1228336746.pdb > /var/tmp/scwrl_1228336746.log sh: /var/tmp/scwrl_1228336746.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1228336746.pdb or /var/tmp/from_scwrl_1228336746.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1228336746_b.pdb or decoys//var/tmp/from_scwrl_1228336746_b.pdb.gz for input Trying /var/tmp/from_scwrl_1228336746_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1228336746_b.pdb or /var/tmp/from_scwrl_1228336746_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1228336746_a.pdb or decoys//var/tmp/from_scwrl_1228336746_a.pdb.gz for input Trying /var/tmp/from_scwrl_1228336746_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1228336746_a.pdb or /var/tmp/from_scwrl_1228336746_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1228336746.pdb or /var/tmp/from_scwrl_1228336746_b.pdb or /var/tmp/from_scwrl_1228336746_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 145 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS5 # request to SCWRL produces command: ulimit -t 132 ; scwrl3 -i /var/tmp/to_scwrl_265262913.pdb -s /var/tmp/to_scwrl_265262913.seq -o /var/tmp/from_scwrl_265262913.pdb > /var/tmp/scwrl_265262913.log sh: /var/tmp/scwrl_265262913.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_265262913.pdb or /var/tmp/from_scwrl_265262913.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_265262913_b.pdb or decoys//var/tmp/from_scwrl_265262913_b.pdb.gz for input Trying /var/tmp/from_scwrl_265262913_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_265262913_b.pdb or /var/tmp/from_scwrl_265262913_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_265262913_a.pdb or decoys//var/tmp/from_scwrl_265262913_a.pdb.gz for input Trying /var/tmp/from_scwrl_265262913_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_265262913_a.pdb or /var/tmp/from_scwrl_265262913_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_265262913.pdb or /var/tmp/from_scwrl_265262913_b.pdb or /var/tmp/from_scwrl_265262913_a.pdb Error: no new SCWRL conformation added # naming current conformation MetaTasser_TS5-scwrl # ReadConformPDB reading from PDB file servers/NN_PUT_lab_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0312 can't currently be optimized by undertaker # naming current conformation NN_PUT_lab_TS1 # request to SCWRL produces command: ulimit -t 132 ; scwrl3 -i /var/tmp/to_scwrl_1777361900.pdb -s /var/tmp/to_scwrl_1777361900.seq -o /var/tmp/from_scwrl_1777361900.pdb > /var/tmp/scwrl_1777361900.log sh: /var/tmp/scwrl_1777361900.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1777361900.pdb or /var/tmp/from_scwrl_1777361900.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1777361900_b.pdb or decoys//var/tmp/from_scwrl_1777361900_b.pdb.gz for input Trying /var/tmp/from_scwrl_1777361900_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1777361900_b.pdb or /var/tmp/from_scwrl_1777361900_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1777361900_a.pdb or decoys//var/tmp/from_scwrl_1777361900_a.pdb.gz for input Trying /var/tmp/from_scwrl_1777361900_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1777361900_a.pdb or /var/tmp/from_scwrl_1777361900_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1777361900.pdb or /var/tmp/from_scwrl_1777361900_b.pdb or /var/tmp/from_scwrl_1777361900_a.pdb Error: no new SCWRL conformation added # naming current conformation NN_PUT_lab_TS1-scwrl # ReadConformPDB reading from PDB file servers/POMYSL_TS1.pdb.gz looking for model 1 # Found a chain break before 139 # copying to AlignedFragments data structure # naming current conformation POMYSL_TS1 # request to SCWRL produces command: ulimit -t 132 ; scwrl3 -i /var/tmp/to_scwrl_66086573.pdb -s /var/tmp/to_scwrl_66086573.seq -o /var/tmp/from_scwrl_66086573.pdb > /var/tmp/scwrl_66086573.log sh: /var/tmp/scwrl_66086573.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_66086573.pdb or /var/tmp/from_scwrl_66086573.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_66086573_b.pdb or decoys//var/tmp/from_scwrl_66086573_b.pdb.gz for input Trying /var/tmp/from_scwrl_66086573_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_66086573_b.pdb or /var/tmp/from_scwrl_66086573_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_66086573_a.pdb or decoys//var/tmp/from_scwrl_66086573_a.pdb.gz for input Trying /var/tmp/from_scwrl_66086573_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_66086573_a.pdb or /var/tmp/from_scwrl_66086573_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_66086573.pdb or /var/tmp/from_scwrl_66086573_b.pdb or /var/tmp/from_scwrl_66086573_a.pdb Error: no new SCWRL conformation added # naming current conformation POMYSL_TS1-scwrl # ReadConformPDB reading from PDB file servers/POMYSL_TS2.pdb.gz looking for model 1 # Found a chain break before 132 # copying to AlignedFragments data structure # naming current conformation POMYSL_TS2 # request to SCWRL produces command: ulimit -t 132 ; scwrl3 -i /var/tmp/to_scwrl_252943343.pdb -s /var/tmp/to_scwrl_252943343.seq -o /var/tmp/from_scwrl_252943343.pdb > /var/tmp/scwrl_252943343.log sh: /var/tmp/scwrl_252943343.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_252943343.pdb or /var/tmp/from_scwrl_252943343.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_252943343_b.pdb or decoys//var/tmp/from_scwrl_252943343_b.pdb.gz for input Trying /var/tmp/from_scwrl_252943343_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_252943343_b.pdb or /var/tmp/from_scwrl_252943343_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_252943343_a.pdb or decoys//var/tmp/from_scwrl_252943343_a.pdb.gz for input Trying /var/tmp/from_scwrl_252943343_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_252943343_a.pdb or /var/tmp/from_scwrl_252943343_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_252943343.pdb or /var/tmp/from_scwrl_252943343_b.pdb or /var/tmp/from_scwrl_252943343_a.pdb Error: no new SCWRL conformation added # naming current conformation POMYSL_TS2-scwrl # ReadConformPDB reading from PDB file servers/POMYSL_TS3.pdb.gz looking for model 1 # Found a chain break before 140 # copying to AlignedFragments data structure # naming current conformation POMYSL_TS3 # request to SCWRL produces command: ulimit -t 132 ; scwrl3 -i /var/tmp/to_scwrl_2145485703.pdb -s /var/tmp/to_scwrl_2145485703.seq -o /var/tmp/from_scwrl_2145485703.pdb > /var/tmp/scwrl_2145485703.log sh: /var/tmp/scwrl_2145485703.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_2145485703.pdb or /var/tmp/from_scwrl_2145485703.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2145485703_b.pdb or decoys//var/tmp/from_scwrl_2145485703_b.pdb.gz for input Trying /var/tmp/from_scwrl_2145485703_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_2145485703_b.pdb or /var/tmp/from_scwrl_2145485703_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2145485703_a.pdb or decoys//var/tmp/from_scwrl_2145485703_a.pdb.gz for input Trying /var/tmp/from_scwrl_2145485703_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_2145485703_a.pdb or /var/tmp/from_scwrl_2145485703_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_2145485703.pdb or /var/tmp/from_scwrl_2145485703_b.pdb or /var/tmp/from_scwrl_2145485703_a.pdb Error: no new SCWRL conformation added # naming current conformation POMYSL_TS3-scwrl # ReadConformPDB reading from PDB file servers/POMYSL_TS4.pdb.gz looking for model 1 # Found a chain break before 115 # copying to AlignedFragments data structure # naming current conformation POMYSL_TS4 # request to SCWRL produces command: ulimit -t 132 ; scwrl3 -i /var/tmp/to_scwrl_1818409001.pdb -s /var/tmp/to_scwrl_1818409001.seq -o /var/tmp/from_scwrl_1818409001.pdb > /var/tmp/scwrl_1818409001.log sh: /var/tmp/scwrl_1818409001.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1818409001.pdb or /var/tmp/from_scwrl_1818409001.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1818409001_b.pdb or decoys//var/tmp/from_scwrl_1818409001_b.pdb.gz for input Trying /var/tmp/from_scwrl_1818409001_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1818409001_b.pdb or /var/tmp/from_scwrl_1818409001_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1818409001_a.pdb or decoys//var/tmp/from_scwrl_1818409001_a.pdb.gz for input Trying /var/tmp/from_scwrl_1818409001_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1818409001_a.pdb or /var/tmp/from_scwrl_1818409001_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1818409001.pdb or /var/tmp/from_scwrl_1818409001_b.pdb or /var/tmp/from_scwrl_1818409001_a.pdb Error: no new SCWRL conformation added # naming current conformation POMYSL_TS4-scwrl # ReadConformPDB reading from PDB file servers/POMYSL_TS5.pdb.gz looking for model 1 # Found a chain break before 106 # copying to AlignedFragments data structure # naming current conformation POMYSL_TS5 # request to SCWRL produces command: ulimit -t 132 ; scwrl3 -i /var/tmp/to_scwrl_680991079.pdb -s /var/tmp/to_scwrl_680991079.seq -o /var/tmp/from_scwrl_680991079.pdb > /var/tmp/scwrl_680991079.log sh: /var/tmp/scwrl_680991079.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_680991079.pdb or /var/tmp/from_scwrl_680991079.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_680991079_b.pdb or decoys//var/tmp/from_scwrl_680991079_b.pdb.gz for input Trying /var/tmp/from_scwrl_680991079_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_680991079_b.pdb or /var/tmp/from_scwrl_680991079_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_680991079_a.pdb or decoys//var/tmp/from_scwrl_680991079_a.pdb.gz for input Trying /var/tmp/from_scwrl_680991079_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_680991079_a.pdb or /var/tmp/from_scwrl_680991079_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_680991079.pdb or /var/tmp/from_scwrl_680991079_b.pdb or /var/tmp/from_scwrl_680991079_a.pdb Error: no new SCWRL conformation added # naming current conformation POMYSL_TS5-scwrl # ReadConformPDB reading from PDB file servers/PROTINFO-AB_TS1.pdb.gz looking for model 1 # naming current conformation PROTINFO-AB_TS1 # request to SCWRL produces command: ulimit -t 132 ; scwrl3 -i /var/tmp/to_scwrl_414661795.pdb -s /var/tmp/to_scwrl_414661795.seq -o /var/tmp/from_scwrl_414661795.pdb > /var/tmp/scwrl_414661795.log sh: /var/tmp/scwrl_414661795.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_414661795.pdb or /var/tmp/from_scwrl_414661795.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_414661795_b.pdb or decoys//var/tmp/from_scwrl_414661795_b.pdb.gz for input Trying /var/tmp/from_scwrl_414661795_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_414661795_b.pdb or /var/tmp/from_scwrl_414661795_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_414661795_a.pdb or decoys//var/tmp/from_scwrl_414661795_a.pdb.gz for input Trying /var/tmp/from_scwrl_414661795_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_414661795_a.pdb or /var/tmp/from_scwrl_414661795_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_414661795.pdb or /var/tmp/from_scwrl_414661795_b.pdb or /var/tmp/from_scwrl_414661795_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 132 ; scwrl3 -i /var/tmp/to_scwrl_488086776.pdb -s /var/tmp/to_scwrl_488086776.seq -o /var/tmp/from_scwrl_488086776.pdb > /var/tmp/scwrl_488086776.log sh: /var/tmp/scwrl_488086776.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_488086776.pdb or /var/tmp/from_scwrl_488086776.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_488086776_b.pdb or decoys//var/tmp/from_scwrl_488086776_b.pdb.gz for input Trying /var/tmp/from_scwrl_488086776_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_488086776_b.pdb or /var/tmp/from_scwrl_488086776_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_488086776_a.pdb or decoys//var/tmp/from_scwrl_488086776_a.pdb.gz for input Trying /var/tmp/from_scwrl_488086776_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_488086776_a.pdb or /var/tmp/from_scwrl_488086776_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_488086776.pdb or /var/tmp/from_scwrl_488086776_b.pdb or /var/tmp/from_scwrl_488086776_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 132 ; scwrl3 -i /var/tmp/to_scwrl_1359017174.pdb -s /var/tmp/to_scwrl_1359017174.seq -o /var/tmp/from_scwrl_1359017174.pdb > /var/tmp/scwrl_1359017174.log sh: /var/tmp/scwrl_1359017174.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1359017174.pdb or /var/tmp/from_scwrl_1359017174.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1359017174_b.pdb or decoys//var/tmp/from_scwrl_1359017174_b.pdb.gz for input Trying /var/tmp/from_scwrl_1359017174_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1359017174_b.pdb or /var/tmp/from_scwrl_1359017174_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1359017174_a.pdb or decoys//var/tmp/from_scwrl_1359017174_a.pdb.gz for input Trying /var/tmp/from_scwrl_1359017174_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1359017174_a.pdb or /var/tmp/from_scwrl_1359017174_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1359017174.pdb or /var/tmp/from_scwrl_1359017174_b.pdb or /var/tmp/from_scwrl_1359017174_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 132 ; scwrl3 -i /var/tmp/to_scwrl_841555816.pdb -s /var/tmp/to_scwrl_841555816.seq -o /var/tmp/from_scwrl_841555816.pdb > /var/tmp/scwrl_841555816.log sh: /var/tmp/scwrl_841555816.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_841555816.pdb or /var/tmp/from_scwrl_841555816.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_841555816_b.pdb or decoys//var/tmp/from_scwrl_841555816_b.pdb.gz for input Trying /var/tmp/from_scwrl_841555816_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_841555816_b.pdb or /var/tmp/from_scwrl_841555816_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_841555816_a.pdb or decoys//var/tmp/from_scwrl_841555816_a.pdb.gz for input Trying /var/tmp/from_scwrl_841555816_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_841555816_a.pdb or /var/tmp/from_scwrl_841555816_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_841555816.pdb or /var/tmp/from_scwrl_841555816_b.pdb or /var/tmp/from_scwrl_841555816_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 132 ; scwrl3 -i /var/tmp/to_scwrl_1696924110.pdb -s /var/tmp/to_scwrl_1696924110.seq -o /var/tmp/from_scwrl_1696924110.pdb > /var/tmp/scwrl_1696924110.log sh: /var/tmp/scwrl_1696924110.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1696924110.pdb or /var/tmp/from_scwrl_1696924110.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1696924110_b.pdb or decoys//var/tmp/from_scwrl_1696924110_b.pdb.gz for input Trying /var/tmp/from_scwrl_1696924110_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1696924110_b.pdb or /var/tmp/from_scwrl_1696924110_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1696924110_a.pdb or decoys//var/tmp/from_scwrl_1696924110_a.pdb.gz for input Trying /var/tmp/from_scwrl_1696924110_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1696924110_a.pdb or /var/tmp/from_scwrl_1696924110_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1696924110.pdb or /var/tmp/from_scwrl_1696924110_b.pdb or /var/tmp/from_scwrl_1696924110_a.pdb Error: no new SCWRL conformation added # naming current conformation PROTINFO-AB_TS5-scwrl # ReadConformPDB reading from PDB file servers/PROTINFO_TS1.pdb.gz looking for model 1 # Found a chain break before 85 # copying to AlignedFragments data structure # naming current conformation PROTINFO_TS1 # request to SCWRL produces command: ulimit -t 132 ; scwrl3 -i /var/tmp/to_scwrl_32092017.pdb -s /var/tmp/to_scwrl_32092017.seq -o /var/tmp/from_scwrl_32092017.pdb > /var/tmp/scwrl_32092017.log sh: /var/tmp/scwrl_32092017.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_32092017.pdb or /var/tmp/from_scwrl_32092017.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_32092017_b.pdb or decoys//var/tmp/from_scwrl_32092017_b.pdb.gz for input Trying /var/tmp/from_scwrl_32092017_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_32092017_b.pdb or /var/tmp/from_scwrl_32092017_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_32092017_a.pdb or decoys//var/tmp/from_scwrl_32092017_a.pdb.gz for input Trying /var/tmp/from_scwrl_32092017_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_32092017_a.pdb or /var/tmp/from_scwrl_32092017_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_32092017.pdb or /var/tmp/from_scwrl_32092017_b.pdb or /var/tmp/from_scwrl_32092017_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 # naming current conformation PROTINFO_TS2 # request to SCWRL produces command: ulimit -t 132 ; scwrl3 -i /var/tmp/to_scwrl_1984846306.pdb -s /var/tmp/to_scwrl_1984846306.seq -o /var/tmp/from_scwrl_1984846306.pdb > /var/tmp/scwrl_1984846306.log sh: /var/tmp/scwrl_1984846306.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1984846306.pdb or /var/tmp/from_scwrl_1984846306.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1984846306_b.pdb or decoys//var/tmp/from_scwrl_1984846306_b.pdb.gz for input Trying /var/tmp/from_scwrl_1984846306_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1984846306_b.pdb or /var/tmp/from_scwrl_1984846306_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1984846306_a.pdb or decoys//var/tmp/from_scwrl_1984846306_a.pdb.gz for input Trying /var/tmp/from_scwrl_1984846306_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1984846306_a.pdb or /var/tmp/from_scwrl_1984846306_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1984846306.pdb or /var/tmp/from_scwrl_1984846306_b.pdb or /var/tmp/from_scwrl_1984846306_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 T0312 can't currently be optimized by undertaker # naming current conformation PROTINFO_TS3 # request to SCWRL produces command: ulimit -t 132 ; scwrl3 -i /var/tmp/to_scwrl_1648811748.pdb -s /var/tmp/to_scwrl_1648811748.seq -o /var/tmp/from_scwrl_1648811748.pdb > /var/tmp/scwrl_1648811748.log sh: /var/tmp/scwrl_1648811748.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1648811748.pdb or /var/tmp/from_scwrl_1648811748.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1648811748_b.pdb or decoys//var/tmp/from_scwrl_1648811748_b.pdb.gz for input Trying /var/tmp/from_scwrl_1648811748_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1648811748_b.pdb or /var/tmp/from_scwrl_1648811748_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1648811748_a.pdb or decoys//var/tmp/from_scwrl_1648811748_a.pdb.gz for input Trying /var/tmp/from_scwrl_1648811748_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1648811748_a.pdb or /var/tmp/from_scwrl_1648811748_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1648811748.pdb or /var/tmp/from_scwrl_1648811748_b.pdb or /var/tmp/from_scwrl_1648811748_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 132 ; scwrl3 -i /var/tmp/to_scwrl_279687999.pdb -s /var/tmp/to_scwrl_279687999.seq -o /var/tmp/from_scwrl_279687999.pdb > /var/tmp/scwrl_279687999.log sh: /var/tmp/scwrl_279687999.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_279687999.pdb or /var/tmp/from_scwrl_279687999.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_279687999_b.pdb or decoys//var/tmp/from_scwrl_279687999_b.pdb.gz for input Trying /var/tmp/from_scwrl_279687999_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_279687999_b.pdb or /var/tmp/from_scwrl_279687999_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_279687999_a.pdb or decoys//var/tmp/from_scwrl_279687999_a.pdb.gz for input Trying /var/tmp/from_scwrl_279687999_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_279687999_a.pdb or /var/tmp/from_scwrl_279687999_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_279687999.pdb or /var/tmp/from_scwrl_279687999_b.pdb or /var/tmp/from_scwrl_279687999_a.pdb Error: no new SCWRL conformation added # naming current conformation PROTINFO_TS4-scwrl # ReadConformPDB reading from PDB file servers/PROTINFO_TS5.pdb.gz looking for model 1 # Found a chain break before 90 # copying to AlignedFragments data structure # naming current conformation PROTINFO_TS5 # request to SCWRL produces command: ulimit -t 132 ; scwrl3 -i /var/tmp/to_scwrl_1110860079.pdb -s /var/tmp/to_scwrl_1110860079.seq -o /var/tmp/from_scwrl_1110860079.pdb > /var/tmp/scwrl_1110860079.log sh: /var/tmp/scwrl_1110860079.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1110860079.pdb or /var/tmp/from_scwrl_1110860079.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1110860079_b.pdb or decoys//var/tmp/from_scwrl_1110860079_b.pdb.gz for input Trying /var/tmp/from_scwrl_1110860079_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1110860079_b.pdb or /var/tmp/from_scwrl_1110860079_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1110860079_a.pdb or decoys//var/tmp/from_scwrl_1110860079_a.pdb.gz for input Trying /var/tmp/from_scwrl_1110860079_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1110860079_a.pdb or /var/tmp/from_scwrl_1110860079_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1110860079.pdb or /var/tmp/from_scwrl_1110860079_b.pdb or /var/tmp/from_scwrl_1110860079_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 T0312 can't currently be optimized by undertaker # naming current conformation Pcons6_TS1 # request to SCWRL produces command: ulimit -t 132 ; scwrl3 -i /var/tmp/to_scwrl_1034022768.pdb -s /var/tmp/to_scwrl_1034022768.seq -o /var/tmp/from_scwrl_1034022768.pdb > /var/tmp/scwrl_1034022768.log sh: /var/tmp/scwrl_1034022768.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1034022768.pdb or /var/tmp/from_scwrl_1034022768.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1034022768_b.pdb or decoys//var/tmp/from_scwrl_1034022768_b.pdb.gz for input Trying /var/tmp/from_scwrl_1034022768_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1034022768_b.pdb or /var/tmp/from_scwrl_1034022768_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1034022768_a.pdb or decoys//var/tmp/from_scwrl_1034022768_a.pdb.gz for input Trying /var/tmp/from_scwrl_1034022768_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1034022768_a.pdb or /var/tmp/from_scwrl_1034022768_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1034022768.pdb or /var/tmp/from_scwrl_1034022768_b.pdb or /var/tmp/from_scwrl_1034022768_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 T0312 can't currently be optimized by undertaker # naming current conformation Pcons6_TS2 # request to SCWRL produces command: ulimit -t 132 ; scwrl3 -i /var/tmp/to_scwrl_993776274.pdb -s /var/tmp/to_scwrl_993776274.seq -o /var/tmp/from_scwrl_993776274.pdb > /var/tmp/scwrl_993776274.log sh: /var/tmp/scwrl_993776274.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_993776274.pdb or /var/tmp/from_scwrl_993776274.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_993776274_b.pdb or decoys//var/tmp/from_scwrl_993776274_b.pdb.gz for input Trying /var/tmp/from_scwrl_993776274_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_993776274_b.pdb or /var/tmp/from_scwrl_993776274_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_993776274_a.pdb or decoys//var/tmp/from_scwrl_993776274_a.pdb.gz for input Trying /var/tmp/from_scwrl_993776274_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_993776274_a.pdb or /var/tmp/from_scwrl_993776274_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_993776274.pdb or /var/tmp/from_scwrl_993776274_b.pdb or /var/tmp/from_scwrl_993776274_a.pdb Error: no new SCWRL conformation added # naming current conformation Pcons6_TS2-scwrl # ReadConformPDB reading from PDB file servers/Pcons6_TS3.pdb.gz looking for model 1 # Found a chain break before 128 # copying to AlignedFragments data structure # naming current conformation Pcons6_TS3 # request to SCWRL produces command: ulimit -t 132 ; scwrl3 -i /var/tmp/to_scwrl_1716730656.pdb -s /var/tmp/to_scwrl_1716730656.seq -o /var/tmp/from_scwrl_1716730656.pdb > /var/tmp/scwrl_1716730656.log sh: /var/tmp/scwrl_1716730656.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1716730656.pdb or /var/tmp/from_scwrl_1716730656.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1716730656_b.pdb or decoys//var/tmp/from_scwrl_1716730656_b.pdb.gz for input Trying /var/tmp/from_scwrl_1716730656_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1716730656_b.pdb or /var/tmp/from_scwrl_1716730656_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1716730656_a.pdb or decoys//var/tmp/from_scwrl_1716730656_a.pdb.gz for input Trying /var/tmp/from_scwrl_1716730656_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1716730656_a.pdb or /var/tmp/from_scwrl_1716730656_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1716730656.pdb or /var/tmp/from_scwrl_1716730656_b.pdb or /var/tmp/from_scwrl_1716730656_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 # Found a chain break before 91 # copying to AlignedFragments data structure # naming current conformation Pcons6_TS4 # request to SCWRL produces command: ulimit -t 132 ; scwrl3 -i /var/tmp/to_scwrl_923937283.pdb -s /var/tmp/to_scwrl_923937283.seq -o /var/tmp/from_scwrl_923937283.pdb > /var/tmp/scwrl_923937283.log sh: /var/tmp/scwrl_923937283.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_923937283.pdb or /var/tmp/from_scwrl_923937283.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_923937283_b.pdb or decoys//var/tmp/from_scwrl_923937283_b.pdb.gz for input Trying /var/tmp/from_scwrl_923937283_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_923937283_b.pdb or /var/tmp/from_scwrl_923937283_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_923937283_a.pdb or decoys//var/tmp/from_scwrl_923937283_a.pdb.gz for input Trying /var/tmp/from_scwrl_923937283_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_923937283_a.pdb or /var/tmp/from_scwrl_923937283_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_923937283.pdb or /var/tmp/from_scwrl_923937283_b.pdb or /var/tmp/from_scwrl_923937283_a.pdb Error: no new SCWRL conformation added # naming current conformation Pcons6_TS4-scwrl # ReadConformPDB reading from PDB file servers/Pcons6_TS5.pdb.gz looking for model 1 # Found a chain break before 131 # copying to AlignedFragments data structure # naming current conformation Pcons6_TS5 # request to SCWRL produces command: ulimit -t 132 ; scwrl3 -i /var/tmp/to_scwrl_580135821.pdb -s /var/tmp/to_scwrl_580135821.seq -o /var/tmp/from_scwrl_580135821.pdb > /var/tmp/scwrl_580135821.log sh: /var/tmp/scwrl_580135821.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_580135821.pdb or /var/tmp/from_scwrl_580135821.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_580135821_b.pdb or decoys//var/tmp/from_scwrl_580135821_b.pdb.gz for input Trying /var/tmp/from_scwrl_580135821_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_580135821_b.pdb or /var/tmp/from_scwrl_580135821_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_580135821_a.pdb or decoys//var/tmp/from_scwrl_580135821_a.pdb.gz for input Trying /var/tmp/from_scwrl_580135821_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_580135821_a.pdb or /var/tmp/from_scwrl_580135821_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_580135821.pdb or /var/tmp/from_scwrl_580135821_b.pdb or /var/tmp/from_scwrl_580135821_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 T0312 can't currently be optimized by undertaker # naming current conformation Phyre-1_TS1 # request to SCWRL produces command: ulimit -t 132 ; scwrl3 -i /var/tmp/to_scwrl_827988361.pdb -s /var/tmp/to_scwrl_827988361.seq -o /var/tmp/from_scwrl_827988361.pdb > /var/tmp/scwrl_827988361.log sh: /var/tmp/scwrl_827988361.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_827988361.pdb or /var/tmp/from_scwrl_827988361.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_827988361_b.pdb or decoys//var/tmp/from_scwrl_827988361_b.pdb.gz for input Trying /var/tmp/from_scwrl_827988361_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_827988361_b.pdb or /var/tmp/from_scwrl_827988361_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_827988361_a.pdb or decoys//var/tmp/from_scwrl_827988361_a.pdb.gz for input Trying /var/tmp/from_scwrl_827988361_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_827988361_a.pdb or /var/tmp/from_scwrl_827988361_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_827988361.pdb or /var/tmp/from_scwrl_827988361_b.pdb or /var/tmp/from_scwrl_827988361_a.pdb Error: no new SCWRL conformation added # naming current conformation Phyre-1_TS1-scwrl # ReadConformPDB reading from PDB file servers/Pmodeller6_TS1.pdb.gz looking for model 1 # Found a chain break before 128 # copying to AlignedFragments data structure # naming current conformation Pmodeller6_TS1 # request to SCWRL produces command: ulimit -t 132 ; scwrl3 -i /var/tmp/to_scwrl_1835782393.pdb -s /var/tmp/to_scwrl_1835782393.seq -o /var/tmp/from_scwrl_1835782393.pdb > /var/tmp/scwrl_1835782393.log sh: /var/tmp/scwrl_1835782393.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1835782393.pdb or /var/tmp/from_scwrl_1835782393.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1835782393_b.pdb or decoys//var/tmp/from_scwrl_1835782393_b.pdb.gz for input Trying /var/tmp/from_scwrl_1835782393_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1835782393_b.pdb or /var/tmp/from_scwrl_1835782393_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1835782393_a.pdb or decoys//var/tmp/from_scwrl_1835782393_a.pdb.gz for input Trying /var/tmp/from_scwrl_1835782393_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1835782393_a.pdb or /var/tmp/from_scwrl_1835782393_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1835782393.pdb or /var/tmp/from_scwrl_1835782393_b.pdb or /var/tmp/from_scwrl_1835782393_a.pdb Error: no new SCWRL conformation added # naming current conformation Pmodeller6_TS1-scwrl # ReadConformPDB reading from PDB file servers/Pmodeller6_TS2.pdb.gz looking for model 1 # Found a chain break before 124 # copying to AlignedFragments data structure # naming current conformation Pmodeller6_TS2 # request to SCWRL produces command: ulimit -t 132 ; scwrl3 -i /var/tmp/to_scwrl_1117946470.pdb -s /var/tmp/to_scwrl_1117946470.seq -o /var/tmp/from_scwrl_1117946470.pdb > /var/tmp/scwrl_1117946470.log sh: /var/tmp/scwrl_1117946470.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1117946470.pdb or /var/tmp/from_scwrl_1117946470.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1117946470_b.pdb or decoys//var/tmp/from_scwrl_1117946470_b.pdb.gz for input Trying /var/tmp/from_scwrl_1117946470_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1117946470_b.pdb or /var/tmp/from_scwrl_1117946470_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1117946470_a.pdb or decoys//var/tmp/from_scwrl_1117946470_a.pdb.gz for input Trying /var/tmp/from_scwrl_1117946470_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1117946470_a.pdb or /var/tmp/from_scwrl_1117946470_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1117946470.pdb or /var/tmp/from_scwrl_1117946470_b.pdb or /var/tmp/from_scwrl_1117946470_a.pdb Error: no new SCWRL conformation added # naming current conformation Pmodeller6_TS2-scwrl # ReadConformPDB reading from PDB file servers/Pmodeller6_TS3.pdb.gz looking for model 1 # Found a chain break before 131 # copying to AlignedFragments data structure # naming current conformation Pmodeller6_TS3 # request to SCWRL produces command: ulimit -t 132 ; scwrl3 -i /var/tmp/to_scwrl_1860685984.pdb -s /var/tmp/to_scwrl_1860685984.seq -o /var/tmp/from_scwrl_1860685984.pdb > /var/tmp/scwrl_1860685984.log sh: /var/tmp/scwrl_1860685984.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1860685984.pdb or /var/tmp/from_scwrl_1860685984.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1860685984_b.pdb or decoys//var/tmp/from_scwrl_1860685984_b.pdb.gz for input Trying /var/tmp/from_scwrl_1860685984_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1860685984_b.pdb or /var/tmp/from_scwrl_1860685984_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1860685984_a.pdb or decoys//var/tmp/from_scwrl_1860685984_a.pdb.gz for input Trying /var/tmp/from_scwrl_1860685984_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1860685984_a.pdb or /var/tmp/from_scwrl_1860685984_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1860685984.pdb or /var/tmp/from_scwrl_1860685984_b.pdb or /var/tmp/from_scwrl_1860685984_a.pdb Error: no new SCWRL conformation added # naming current conformation Pmodeller6_TS3-scwrl # ReadConformPDB reading from PDB file servers/Pmodeller6_TS4.pdb.gz looking for model 1 # Found a chain break before 120 # copying to AlignedFragments data structure # naming current conformation Pmodeller6_TS4 # request to SCWRL produces command: ulimit -t 132 ; scwrl3 -i /var/tmp/to_scwrl_422857488.pdb -s /var/tmp/to_scwrl_422857488.seq -o /var/tmp/from_scwrl_422857488.pdb > /var/tmp/scwrl_422857488.log sh: /var/tmp/scwrl_422857488.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_422857488.pdb or /var/tmp/from_scwrl_422857488.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_422857488_b.pdb or decoys//var/tmp/from_scwrl_422857488_b.pdb.gz for input Trying /var/tmp/from_scwrl_422857488_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_422857488_b.pdb or /var/tmp/from_scwrl_422857488_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_422857488_a.pdb or decoys//var/tmp/from_scwrl_422857488_a.pdb.gz for input Trying /var/tmp/from_scwrl_422857488_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_422857488_a.pdb or /var/tmp/from_scwrl_422857488_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_422857488.pdb or /var/tmp/from_scwrl_422857488_b.pdb or /var/tmp/from_scwrl_422857488_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 T0312 can't currently be optimized by undertaker # naming current conformation Pmodeller6_TS5 # request to SCWRL produces command: ulimit -t 132 ; scwrl3 -i /var/tmp/to_scwrl_1397679582.pdb -s /var/tmp/to_scwrl_1397679582.seq -o /var/tmp/from_scwrl_1397679582.pdb > /var/tmp/scwrl_1397679582.log sh: /var/tmp/scwrl_1397679582.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1397679582.pdb or /var/tmp/from_scwrl_1397679582.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1397679582_b.pdb or decoys//var/tmp/from_scwrl_1397679582_b.pdb.gz for input Trying /var/tmp/from_scwrl_1397679582_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1397679582_b.pdb or /var/tmp/from_scwrl_1397679582_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1397679582_a.pdb or decoys//var/tmp/from_scwrl_1397679582_a.pdb.gz for input Trying /var/tmp/from_scwrl_1397679582_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1397679582_a.pdb or /var/tmp/from_scwrl_1397679582_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1397679582.pdb or /var/tmp/from_scwrl_1397679582_b.pdb or /var/tmp/from_scwrl_1397679582_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 102 # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS1 # request to SCWRL produces command: ulimit -t 132 ; scwrl3 -i /var/tmp/to_scwrl_1985156472.pdb -s /var/tmp/to_scwrl_1985156472.seq -o /var/tmp/from_scwrl_1985156472.pdb > /var/tmp/scwrl_1985156472.log sh: /var/tmp/scwrl_1985156472.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1985156472.pdb or /var/tmp/from_scwrl_1985156472.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1985156472_b.pdb or decoys//var/tmp/from_scwrl_1985156472_b.pdb.gz for input Trying /var/tmp/from_scwrl_1985156472_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1985156472_b.pdb or /var/tmp/from_scwrl_1985156472_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1985156472_a.pdb or decoys//var/tmp/from_scwrl_1985156472_a.pdb.gz for input Trying /var/tmp/from_scwrl_1985156472_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1985156472_a.pdb or /var/tmp/from_scwrl_1985156472_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1985156472.pdb or /var/tmp/from_scwrl_1985156472_b.pdb or /var/tmp/from_scwrl_1985156472_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 68 # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS2 # request to SCWRL produces command: ulimit -t 132 ; scwrl3 -i /var/tmp/to_scwrl_1228288932.pdb -s /var/tmp/to_scwrl_1228288932.seq -o /var/tmp/from_scwrl_1228288932.pdb > /var/tmp/scwrl_1228288932.log sh: /var/tmp/scwrl_1228288932.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1228288932.pdb or /var/tmp/from_scwrl_1228288932.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1228288932_b.pdb or decoys//var/tmp/from_scwrl_1228288932_b.pdb.gz for input Trying /var/tmp/from_scwrl_1228288932_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1228288932_b.pdb or /var/tmp/from_scwrl_1228288932_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1228288932_a.pdb or decoys//var/tmp/from_scwrl_1228288932_a.pdb.gz for input Trying /var/tmp/from_scwrl_1228288932_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1228288932_a.pdb or /var/tmp/from_scwrl_1228288932_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1228288932.pdb or /var/tmp/from_scwrl_1228288932_b.pdb or /var/tmp/from_scwrl_1228288932_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 78 # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS3 # request to SCWRL produces command: ulimit -t 132 ; scwrl3 -i /var/tmp/to_scwrl_478532683.pdb -s /var/tmp/to_scwrl_478532683.seq -o /var/tmp/from_scwrl_478532683.pdb > /var/tmp/scwrl_478532683.log sh: /var/tmp/scwrl_478532683.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_478532683.pdb or /var/tmp/from_scwrl_478532683.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_478532683_b.pdb or decoys//var/tmp/from_scwrl_478532683_b.pdb.gz for input Trying /var/tmp/from_scwrl_478532683_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_478532683_b.pdb or /var/tmp/from_scwrl_478532683_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_478532683_a.pdb or decoys//var/tmp/from_scwrl_478532683_a.pdb.gz for input Trying /var/tmp/from_scwrl_478532683_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_478532683_a.pdb or /var/tmp/from_scwrl_478532683_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_478532683.pdb or /var/tmp/from_scwrl_478532683_b.pdb or /var/tmp/from_scwrl_478532683_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 105 # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS4 # request to SCWRL produces command: ulimit -t 132 ; scwrl3 -i /var/tmp/to_scwrl_102935739.pdb -s /var/tmp/to_scwrl_102935739.seq -o /var/tmp/from_scwrl_102935739.pdb > /var/tmp/scwrl_102935739.log sh: /var/tmp/scwrl_102935739.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_102935739.pdb or /var/tmp/from_scwrl_102935739.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_102935739_b.pdb or decoys//var/tmp/from_scwrl_102935739_b.pdb.gz for input Trying /var/tmp/from_scwrl_102935739_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_102935739_b.pdb or /var/tmp/from_scwrl_102935739_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_102935739_a.pdb or decoys//var/tmp/from_scwrl_102935739_a.pdb.gz for input Trying /var/tmp/from_scwrl_102935739_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_102935739_a.pdb or /var/tmp/from_scwrl_102935739_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_102935739.pdb or /var/tmp/from_scwrl_102935739_b.pdb or /var/tmp/from_scwrl_102935739_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 139 # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS5 # request to SCWRL produces command: ulimit -t 132 ; scwrl3 -i /var/tmp/to_scwrl_858167186.pdb -s /var/tmp/to_scwrl_858167186.seq -o /var/tmp/from_scwrl_858167186.pdb > /var/tmp/scwrl_858167186.log sh: /var/tmp/scwrl_858167186.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_858167186.pdb or /var/tmp/from_scwrl_858167186.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_858167186_b.pdb or decoys//var/tmp/from_scwrl_858167186_b.pdb.gz for input Trying /var/tmp/from_scwrl_858167186_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_858167186_b.pdb or /var/tmp/from_scwrl_858167186_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_858167186_a.pdb or decoys//var/tmp/from_scwrl_858167186_a.pdb.gz for input Trying /var/tmp/from_scwrl_858167186_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_858167186_a.pdb or /var/tmp/from_scwrl_858167186_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_858167186.pdb or /var/tmp/from_scwrl_858167186_b.pdb or /var/tmp/from_scwrl_858167186_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 124 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS1 # request to SCWRL produces command: ulimit -t 132 ; scwrl3 -i /var/tmp/to_scwrl_544619256.pdb -s /var/tmp/to_scwrl_544619256.seq -o /var/tmp/from_scwrl_544619256.pdb > /var/tmp/scwrl_544619256.log sh: /var/tmp/scwrl_544619256.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_544619256.pdb or /var/tmp/from_scwrl_544619256.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_544619256_b.pdb or decoys//var/tmp/from_scwrl_544619256_b.pdb.gz for input Trying /var/tmp/from_scwrl_544619256_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_544619256_b.pdb or /var/tmp/from_scwrl_544619256_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_544619256_a.pdb or decoys//var/tmp/from_scwrl_544619256_a.pdb.gz for input Trying /var/tmp/from_scwrl_544619256_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_544619256_a.pdb or /var/tmp/from_scwrl_544619256_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_544619256.pdb or /var/tmp/from_scwrl_544619256_b.pdb or /var/tmp/from_scwrl_544619256_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 124 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS2 # request to SCWRL produces command: ulimit -t 132 ; scwrl3 -i /var/tmp/to_scwrl_355879082.pdb -s /var/tmp/to_scwrl_355879082.seq -o /var/tmp/from_scwrl_355879082.pdb > /var/tmp/scwrl_355879082.log sh: /var/tmp/scwrl_355879082.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_355879082.pdb or /var/tmp/from_scwrl_355879082.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_355879082_b.pdb or decoys//var/tmp/from_scwrl_355879082_b.pdb.gz for input Trying /var/tmp/from_scwrl_355879082_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_355879082_b.pdb or /var/tmp/from_scwrl_355879082_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_355879082_a.pdb or decoys//var/tmp/from_scwrl_355879082_a.pdb.gz for input Trying /var/tmp/from_scwrl_355879082_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_355879082_a.pdb or /var/tmp/from_scwrl_355879082_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_355879082.pdb or /var/tmp/from_scwrl_355879082_b.pdb or /var/tmp/from_scwrl_355879082_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 21 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS3 # request to SCWRL produces command: ulimit -t 132 ; scwrl3 -i /var/tmp/to_scwrl_856169243.pdb -s /var/tmp/to_scwrl_856169243.seq -o /var/tmp/from_scwrl_856169243.pdb > /var/tmp/scwrl_856169243.log sh: /var/tmp/scwrl_856169243.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_856169243.pdb or /var/tmp/from_scwrl_856169243.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_856169243_b.pdb or decoys//var/tmp/from_scwrl_856169243_b.pdb.gz for input Trying /var/tmp/from_scwrl_856169243_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_856169243_b.pdb or /var/tmp/from_scwrl_856169243_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_856169243_a.pdb or decoys//var/tmp/from_scwrl_856169243_a.pdb.gz for input Trying /var/tmp/from_scwrl_856169243_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_856169243_a.pdb or /var/tmp/from_scwrl_856169243_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_856169243.pdb or /var/tmp/from_scwrl_856169243_b.pdb or /var/tmp/from_scwrl_856169243_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 122 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS4 # request to SCWRL produces command: ulimit -t 132 ; scwrl3 -i /var/tmp/to_scwrl_215544610.pdb -s /var/tmp/to_scwrl_215544610.seq -o /var/tmp/from_scwrl_215544610.pdb > /var/tmp/scwrl_215544610.log sh: /var/tmp/scwrl_215544610.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_215544610.pdb or /var/tmp/from_scwrl_215544610.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_215544610_b.pdb or decoys//var/tmp/from_scwrl_215544610_b.pdb.gz for input Trying /var/tmp/from_scwrl_215544610_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_215544610_b.pdb or /var/tmp/from_scwrl_215544610_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_215544610_a.pdb or decoys//var/tmp/from_scwrl_215544610_a.pdb.gz for input Trying /var/tmp/from_scwrl_215544610_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_215544610_a.pdb or /var/tmp/from_scwrl_215544610_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_215544610.pdb or /var/tmp/from_scwrl_215544610_b.pdb or /var/tmp/from_scwrl_215544610_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 124 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS5 # request to SCWRL produces command: ulimit -t 132 ; scwrl3 -i /var/tmp/to_scwrl_1036870161.pdb -s /var/tmp/to_scwrl_1036870161.seq -o /var/tmp/from_scwrl_1036870161.pdb > /var/tmp/scwrl_1036870161.log sh: /var/tmp/scwrl_1036870161.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1036870161.pdb or /var/tmp/from_scwrl_1036870161.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1036870161_b.pdb or decoys//var/tmp/from_scwrl_1036870161_b.pdb.gz for input Trying /var/tmp/from_scwrl_1036870161_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1036870161_b.pdb or /var/tmp/from_scwrl_1036870161_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1036870161_a.pdb or decoys//var/tmp/from_scwrl_1036870161_a.pdb.gz for input Trying /var/tmp/from_scwrl_1036870161_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1036870161_a.pdb or /var/tmp/from_scwrl_1036870161_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1036870161.pdb or /var/tmp/from_scwrl_1036870161_b.pdb or /var/tmp/from_scwrl_1036870161_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 132 ; scwrl3 -i /var/tmp/to_scwrl_1270831037.pdb -s /var/tmp/to_scwrl_1270831037.seq -o /var/tmp/from_scwrl_1270831037.pdb > /var/tmp/scwrl_1270831037.log sh: /var/tmp/scwrl_1270831037.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1270831037.pdb or /var/tmp/from_scwrl_1270831037.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1270831037_b.pdb or decoys//var/tmp/from_scwrl_1270831037_b.pdb.gz for input Trying /var/tmp/from_scwrl_1270831037_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1270831037_b.pdb or /var/tmp/from_scwrl_1270831037_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1270831037_a.pdb or decoys//var/tmp/from_scwrl_1270831037_a.pdb.gz for input Trying /var/tmp/from_scwrl_1270831037_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1270831037_a.pdb or /var/tmp/from_scwrl_1270831037_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1270831037.pdb or /var/tmp/from_scwrl_1270831037_b.pdb or /var/tmp/from_scwrl_1270831037_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 # naming current conformation RAPTOR_TS2 # request to SCWRL produces command: ulimit -t 132 ; scwrl3 -i /var/tmp/to_scwrl_703631386.pdb -s /var/tmp/to_scwrl_703631386.seq -o /var/tmp/from_scwrl_703631386.pdb > /var/tmp/scwrl_703631386.log sh: /var/tmp/scwrl_703631386.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_703631386.pdb or /var/tmp/from_scwrl_703631386.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_703631386_b.pdb or decoys//var/tmp/from_scwrl_703631386_b.pdb.gz for input Trying /var/tmp/from_scwrl_703631386_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_703631386_b.pdb or /var/tmp/from_scwrl_703631386_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_703631386_a.pdb or decoys//var/tmp/from_scwrl_703631386_a.pdb.gz for input Trying /var/tmp/from_scwrl_703631386_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_703631386_a.pdb or /var/tmp/from_scwrl_703631386_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_703631386.pdb or /var/tmp/from_scwrl_703631386_b.pdb or /var/tmp/from_scwrl_703631386_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 136 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS3 # request to SCWRL produces command: ulimit -t 132 ; scwrl3 -i /var/tmp/to_scwrl_248403688.pdb -s /var/tmp/to_scwrl_248403688.seq -o /var/tmp/from_scwrl_248403688.pdb > /var/tmp/scwrl_248403688.log sh: /var/tmp/scwrl_248403688.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_248403688.pdb or /var/tmp/from_scwrl_248403688.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_248403688_b.pdb or decoys//var/tmp/from_scwrl_248403688_b.pdb.gz for input Trying /var/tmp/from_scwrl_248403688_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_248403688_b.pdb or /var/tmp/from_scwrl_248403688_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_248403688_a.pdb or decoys//var/tmp/from_scwrl_248403688_a.pdb.gz for input Trying /var/tmp/from_scwrl_248403688_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_248403688_a.pdb or /var/tmp/from_scwrl_248403688_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_248403688.pdb or /var/tmp/from_scwrl_248403688_b.pdb or /var/tmp/from_scwrl_248403688_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 122 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS4 # request to SCWRL produces command: ulimit -t 132 ; scwrl3 -i /var/tmp/to_scwrl_2112386854.pdb -s /var/tmp/to_scwrl_2112386854.seq -o /var/tmp/from_scwrl_2112386854.pdb > /var/tmp/scwrl_2112386854.log sh: /var/tmp/scwrl_2112386854.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_2112386854.pdb or /var/tmp/from_scwrl_2112386854.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2112386854_b.pdb or decoys//var/tmp/from_scwrl_2112386854_b.pdb.gz for input Trying /var/tmp/from_scwrl_2112386854_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_2112386854_b.pdb or /var/tmp/from_scwrl_2112386854_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2112386854_a.pdb or decoys//var/tmp/from_scwrl_2112386854_a.pdb.gz for input Trying /var/tmp/from_scwrl_2112386854_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_2112386854_a.pdb or /var/tmp/from_scwrl_2112386854_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_2112386854.pdb or /var/tmp/from_scwrl_2112386854_b.pdb or /var/tmp/from_scwrl_2112386854_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 124 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS5 # request to SCWRL produces command: ulimit -t 132 ; scwrl3 -i /var/tmp/to_scwrl_253071849.pdb -s /var/tmp/to_scwrl_253071849.seq -o /var/tmp/from_scwrl_253071849.pdb > /var/tmp/scwrl_253071849.log sh: /var/tmp/scwrl_253071849.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_253071849.pdb or /var/tmp/from_scwrl_253071849.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_253071849_b.pdb or decoys//var/tmp/from_scwrl_253071849_b.pdb.gz for input Trying /var/tmp/from_scwrl_253071849_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_253071849_b.pdb or /var/tmp/from_scwrl_253071849_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_253071849_a.pdb or decoys//var/tmp/from_scwrl_253071849_a.pdb.gz for input Trying /var/tmp/from_scwrl_253071849_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_253071849_a.pdb or /var/tmp/from_scwrl_253071849_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_253071849.pdb or /var/tmp/from_scwrl_253071849_b.pdb or /var/tmp/from_scwrl_253071849_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 128 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS1 # request to SCWRL produces command: ulimit -t 132 ; scwrl3 -i /var/tmp/to_scwrl_280495705.pdb -s /var/tmp/to_scwrl_280495705.seq -o /var/tmp/from_scwrl_280495705.pdb > /var/tmp/scwrl_280495705.log sh: /var/tmp/scwrl_280495705.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_280495705.pdb or /var/tmp/from_scwrl_280495705.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_280495705_b.pdb or decoys//var/tmp/from_scwrl_280495705_b.pdb.gz for input Trying /var/tmp/from_scwrl_280495705_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_280495705_b.pdb or /var/tmp/from_scwrl_280495705_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_280495705_a.pdb or decoys//var/tmp/from_scwrl_280495705_a.pdb.gz for input Trying /var/tmp/from_scwrl_280495705_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_280495705_a.pdb or /var/tmp/from_scwrl_280495705_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_280495705.pdb or /var/tmp/from_scwrl_280495705_b.pdb or /var/tmp/from_scwrl_280495705_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 # naming current conformation ROBETTA_TS2 # request to SCWRL produces command: ulimit -t 132 ; scwrl3 -i /var/tmp/to_scwrl_1949749513.pdb -s /var/tmp/to_scwrl_1949749513.seq -o /var/tmp/from_scwrl_1949749513.pdb > /var/tmp/scwrl_1949749513.log sh: /var/tmp/scwrl_1949749513.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1949749513.pdb or /var/tmp/from_scwrl_1949749513.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1949749513_b.pdb or decoys//var/tmp/from_scwrl_1949749513_b.pdb.gz for input Trying /var/tmp/from_scwrl_1949749513_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1949749513_b.pdb or /var/tmp/from_scwrl_1949749513_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1949749513_a.pdb or decoys//var/tmp/from_scwrl_1949749513_a.pdb.gz for input Trying /var/tmp/from_scwrl_1949749513_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1949749513_a.pdb or /var/tmp/from_scwrl_1949749513_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1949749513.pdb or /var/tmp/from_scwrl_1949749513_b.pdb or /var/tmp/from_scwrl_1949749513_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 135 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS3 # request to SCWRL produces command: ulimit -t 132 ; scwrl3 -i /var/tmp/to_scwrl_1901883597.pdb -s /var/tmp/to_scwrl_1901883597.seq -o /var/tmp/from_scwrl_1901883597.pdb > /var/tmp/scwrl_1901883597.log sh: /var/tmp/scwrl_1901883597.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1901883597.pdb or /var/tmp/from_scwrl_1901883597.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1901883597_b.pdb or decoys//var/tmp/from_scwrl_1901883597_b.pdb.gz for input Trying /var/tmp/from_scwrl_1901883597_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1901883597_b.pdb or /var/tmp/from_scwrl_1901883597_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1901883597_a.pdb or decoys//var/tmp/from_scwrl_1901883597_a.pdb.gz for input Trying /var/tmp/from_scwrl_1901883597_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1901883597_a.pdb or /var/tmp/from_scwrl_1901883597_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1901883597.pdb or /var/tmp/from_scwrl_1901883597_b.pdb or /var/tmp/from_scwrl_1901883597_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 62 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS4 # request to SCWRL produces command: ulimit -t 132 ; scwrl3 -i /var/tmp/to_scwrl_560183704.pdb -s /var/tmp/to_scwrl_560183704.seq -o /var/tmp/from_scwrl_560183704.pdb > /var/tmp/scwrl_560183704.log sh: /var/tmp/scwrl_560183704.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_560183704.pdb or /var/tmp/from_scwrl_560183704.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_560183704_b.pdb or decoys//var/tmp/from_scwrl_560183704_b.pdb.gz for input Trying /var/tmp/from_scwrl_560183704_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_560183704_b.pdb or /var/tmp/from_scwrl_560183704_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_560183704_a.pdb or decoys//var/tmp/from_scwrl_560183704_a.pdb.gz for input Trying /var/tmp/from_scwrl_560183704_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_560183704_a.pdb or /var/tmp/from_scwrl_560183704_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_560183704.pdb or /var/tmp/from_scwrl_560183704_b.pdb or /var/tmp/from_scwrl_560183704_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 124 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS5 # request to SCWRL produces command: ulimit -t 132 ; scwrl3 -i /var/tmp/to_scwrl_913125946.pdb -s /var/tmp/to_scwrl_913125946.seq -o /var/tmp/from_scwrl_913125946.pdb > /var/tmp/scwrl_913125946.log sh: /var/tmp/scwrl_913125946.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_913125946.pdb or /var/tmp/from_scwrl_913125946.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_913125946_b.pdb or decoys//var/tmp/from_scwrl_913125946_b.pdb.gz for input Trying /var/tmp/from_scwrl_913125946_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_913125946_b.pdb or /var/tmp/from_scwrl_913125946_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_913125946_a.pdb or decoys//var/tmp/from_scwrl_913125946_a.pdb.gz for input Trying /var/tmp/from_scwrl_913125946_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_913125946_a.pdb or /var/tmp/from_scwrl_913125946_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_913125946.pdb or /var/tmp/from_scwrl_913125946_b.pdb or /var/tmp/from_scwrl_913125946_a.pdb Error: no new SCWRL conformation added # naming current conformation ROBETTA_TS5-scwrl # ReadConformPDB reading from PDB file servers/ROKKY_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0312 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation ROKKY_TS1 # request to SCWRL produces command: ulimit -t 132 ; scwrl3 -i /var/tmp/to_scwrl_788422718.pdb -s /var/tmp/to_scwrl_788422718.seq -o /var/tmp/from_scwrl_788422718.pdb > /var/tmp/scwrl_788422718.log sh: /var/tmp/scwrl_788422718.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_788422718.pdb or /var/tmp/from_scwrl_788422718.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_788422718_b.pdb or decoys//var/tmp/from_scwrl_788422718_b.pdb.gz for input Trying /var/tmp/from_scwrl_788422718_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_788422718_b.pdb or /var/tmp/from_scwrl_788422718_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_788422718_a.pdb or decoys//var/tmp/from_scwrl_788422718_a.pdb.gz for input Trying /var/tmp/from_scwrl_788422718_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_788422718_a.pdb or /var/tmp/from_scwrl_788422718_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_788422718.pdb or /var/tmp/from_scwrl_788422718_b.pdb or /var/tmp/from_scwrl_788422718_a.pdb Error: no new SCWRL conformation added # naming current conformation ROKKY_TS1-scwrl # ReadConformPDB reading from PDB file servers/ROKKY_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0312 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation ROKKY_TS2 # request to SCWRL produces command: ulimit -t 132 ; scwrl3 -i /var/tmp/to_scwrl_1553959977.pdb -s /var/tmp/to_scwrl_1553959977.seq -o /var/tmp/from_scwrl_1553959977.pdb > /var/tmp/scwrl_1553959977.log sh: /var/tmp/scwrl_1553959977.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1553959977.pdb or /var/tmp/from_scwrl_1553959977.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1553959977_b.pdb or decoys//var/tmp/from_scwrl_1553959977_b.pdb.gz for input Trying /var/tmp/from_scwrl_1553959977_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1553959977_b.pdb or /var/tmp/from_scwrl_1553959977_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1553959977_a.pdb or decoys//var/tmp/from_scwrl_1553959977_a.pdb.gz for input Trying /var/tmp/from_scwrl_1553959977_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1553959977_a.pdb or /var/tmp/from_scwrl_1553959977_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1553959977.pdb or /var/tmp/from_scwrl_1553959977_b.pdb or /var/tmp/from_scwrl_1553959977_a.pdb Error: no new SCWRL conformation added # naming current conformation ROKKY_TS2-scwrl # ReadConformPDB reading from PDB file servers/ROKKY_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0312 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation ROKKY_TS3 # request to SCWRL produces command: ulimit -t 132 ; scwrl3 -i /var/tmp/to_scwrl_482372955.pdb -s /var/tmp/to_scwrl_482372955.seq -o /var/tmp/from_scwrl_482372955.pdb > /var/tmp/scwrl_482372955.log sh: /var/tmp/scwrl_482372955.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_482372955.pdb or /var/tmp/from_scwrl_482372955.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_482372955_b.pdb or decoys//var/tmp/from_scwrl_482372955_b.pdb.gz for input Trying /var/tmp/from_scwrl_482372955_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_482372955_b.pdb or /var/tmp/from_scwrl_482372955_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_482372955_a.pdb or decoys//var/tmp/from_scwrl_482372955_a.pdb.gz for input Trying /var/tmp/from_scwrl_482372955_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_482372955_a.pdb or /var/tmp/from_scwrl_482372955_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_482372955.pdb or /var/tmp/from_scwrl_482372955_b.pdb or /var/tmp/from_scwrl_482372955_a.pdb Error: no new SCWRL conformation added # naming current conformation ROKKY_TS3-scwrl # ReadConformPDB reading from PDB file servers/ROKKY_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0312 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation ROKKY_TS4 # request to SCWRL produces command: ulimit -t 132 ; scwrl3 -i /var/tmp/to_scwrl_1712360000.pdb -s /var/tmp/to_scwrl_1712360000.seq -o /var/tmp/from_scwrl_1712360000.pdb > /var/tmp/scwrl_1712360000.log sh: /var/tmp/scwrl_1712360000.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1712360000.pdb or /var/tmp/from_scwrl_1712360000.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1712360000_b.pdb or decoys//var/tmp/from_scwrl_1712360000_b.pdb.gz for input Trying /var/tmp/from_scwrl_1712360000_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1712360000_b.pdb or /var/tmp/from_scwrl_1712360000_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1712360000_a.pdb or decoys//var/tmp/from_scwrl_1712360000_a.pdb.gz for input Trying /var/tmp/from_scwrl_1712360000_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1712360000_a.pdb or /var/tmp/from_scwrl_1712360000_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1712360000.pdb or /var/tmp/from_scwrl_1712360000_b.pdb or /var/tmp/from_scwrl_1712360000_a.pdb Error: no new SCWRL conformation added # naming current conformation ROKKY_TS4-scwrl # ReadConformPDB reading from PDB file servers/ROKKY_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0312 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation ROKKY_TS5 # request to SCWRL produces command: ulimit -t 132 ; scwrl3 -i /var/tmp/to_scwrl_2134095799.pdb -s /var/tmp/to_scwrl_2134095799.seq -o /var/tmp/from_scwrl_2134095799.pdb > /var/tmp/scwrl_2134095799.log sh: /var/tmp/scwrl_2134095799.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_2134095799.pdb or /var/tmp/from_scwrl_2134095799.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2134095799_b.pdb or decoys//var/tmp/from_scwrl_2134095799_b.pdb.gz for input Trying /var/tmp/from_scwrl_2134095799_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_2134095799_b.pdb or /var/tmp/from_scwrl_2134095799_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2134095799_a.pdb or decoys//var/tmp/from_scwrl_2134095799_a.pdb.gz for input Trying /var/tmp/from_scwrl_2134095799_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_2134095799_a.pdb or /var/tmp/from_scwrl_2134095799_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_2134095799.pdb or /var/tmp/from_scwrl_2134095799_b.pdb or /var/tmp/from_scwrl_2134095799_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 T0312 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL1 # request to SCWRL produces command: ulimit -t 132 ; scwrl3 -i /var/tmp/to_scwrl_1310361316.pdb -s /var/tmp/to_scwrl_1310361316.seq -o /var/tmp/from_scwrl_1310361316.pdb > /var/tmp/scwrl_1310361316.log sh: /var/tmp/scwrl_1310361316.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1310361316.pdb or /var/tmp/from_scwrl_1310361316.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1310361316_b.pdb or decoys//var/tmp/from_scwrl_1310361316_b.pdb.gz for input Trying /var/tmp/from_scwrl_1310361316_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1310361316_b.pdb or /var/tmp/from_scwrl_1310361316_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1310361316_a.pdb or decoys//var/tmp/from_scwrl_1310361316_a.pdb.gz for input Trying /var/tmp/from_scwrl_1310361316_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1310361316_a.pdb or /var/tmp/from_scwrl_1310361316_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1310361316.pdb or /var/tmp/from_scwrl_1310361316_b.pdb or /var/tmp/from_scwrl_1310361316_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 T0312 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL2 # request to SCWRL produces command: ulimit -t 132 ; scwrl3 -i /var/tmp/to_scwrl_1400658746.pdb -s /var/tmp/to_scwrl_1400658746.seq -o /var/tmp/from_scwrl_1400658746.pdb > /var/tmp/scwrl_1400658746.log sh: /var/tmp/scwrl_1400658746.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1400658746.pdb or /var/tmp/from_scwrl_1400658746.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1400658746_b.pdb or decoys//var/tmp/from_scwrl_1400658746_b.pdb.gz for input Trying /var/tmp/from_scwrl_1400658746_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1400658746_b.pdb or /var/tmp/from_scwrl_1400658746_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1400658746_a.pdb or decoys//var/tmp/from_scwrl_1400658746_a.pdb.gz for input Trying /var/tmp/from_scwrl_1400658746_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1400658746_a.pdb or /var/tmp/from_scwrl_1400658746_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1400658746.pdb or /var/tmp/from_scwrl_1400658746_b.pdb or /var/tmp/from_scwrl_1400658746_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 T0312 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL3 # request to SCWRL produces command: ulimit -t 132 ; scwrl3 -i /var/tmp/to_scwrl_1104558622.pdb -s /var/tmp/to_scwrl_1104558622.seq -o /var/tmp/from_scwrl_1104558622.pdb > /var/tmp/scwrl_1104558622.log sh: /var/tmp/scwrl_1104558622.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1104558622.pdb or /var/tmp/from_scwrl_1104558622.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1104558622_b.pdb or decoys//var/tmp/from_scwrl_1104558622_b.pdb.gz for input Trying /var/tmp/from_scwrl_1104558622_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1104558622_b.pdb or /var/tmp/from_scwrl_1104558622_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1104558622_a.pdb or decoys//var/tmp/from_scwrl_1104558622_a.pdb.gz for input Trying /var/tmp/from_scwrl_1104558622_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1104558622_a.pdb or /var/tmp/from_scwrl_1104558622_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1104558622.pdb or /var/tmp/from_scwrl_1104558622_b.pdb or /var/tmp/from_scwrl_1104558622_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 T0312 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL4 # request to SCWRL produces command: ulimit -t 132 ; scwrl3 -i /var/tmp/to_scwrl_1023563654.pdb -s /var/tmp/to_scwrl_1023563654.seq -o /var/tmp/from_scwrl_1023563654.pdb > /var/tmp/scwrl_1023563654.log sh: /var/tmp/scwrl_1023563654.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1023563654.pdb or /var/tmp/from_scwrl_1023563654.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1023563654_b.pdb or decoys//var/tmp/from_scwrl_1023563654_b.pdb.gz for input Trying /var/tmp/from_scwrl_1023563654_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1023563654_b.pdb or /var/tmp/from_scwrl_1023563654_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1023563654_a.pdb or decoys//var/tmp/from_scwrl_1023563654_a.pdb.gz for input Trying /var/tmp/from_scwrl_1023563654_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1023563654_a.pdb or /var/tmp/from_scwrl_1023563654_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1023563654.pdb or /var/tmp/from_scwrl_1023563654_b.pdb or /var/tmp/from_scwrl_1023563654_a.pdb Error: no new SCWRL conformation added # naming current conformation SAM-T02_AL4-scwrl # ReadConformPDB reading from PDB file servers/SAM_T06_server_TS1.pdb.gz looking for model 1 # Found a chain break before 144 # copying to AlignedFragments data structure # naming current conformation SAM_T06_server_TS1 # request to SCWRL produces command: ulimit -t 132 ; scwrl3 -i /var/tmp/to_scwrl_1823516235.pdb -s /var/tmp/to_scwrl_1823516235.seq -o /var/tmp/from_scwrl_1823516235.pdb > /var/tmp/scwrl_1823516235.log sh: /var/tmp/scwrl_1823516235.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1823516235.pdb or /var/tmp/from_scwrl_1823516235.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1823516235_b.pdb or decoys//var/tmp/from_scwrl_1823516235_b.pdb.gz for input Trying /var/tmp/from_scwrl_1823516235_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1823516235_b.pdb or /var/tmp/from_scwrl_1823516235_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1823516235_a.pdb or decoys//var/tmp/from_scwrl_1823516235_a.pdb.gz for input Trying /var/tmp/from_scwrl_1823516235_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1823516235_a.pdb or /var/tmp/from_scwrl_1823516235_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1823516235.pdb or /var/tmp/from_scwrl_1823516235_b.pdb or /var/tmp/from_scwrl_1823516235_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 T0312 can't currently be optimized by undertaker # naming current conformation SAM_T06_server_TS2 # request to SCWRL produces command: ulimit -t 132 ; scwrl3 -i /var/tmp/to_scwrl_354754559.pdb -s /var/tmp/to_scwrl_354754559.seq -o /var/tmp/from_scwrl_354754559.pdb > /var/tmp/scwrl_354754559.log sh: /var/tmp/scwrl_354754559.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_354754559.pdb or /var/tmp/from_scwrl_354754559.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_354754559_b.pdb or decoys//var/tmp/from_scwrl_354754559_b.pdb.gz for input Trying /var/tmp/from_scwrl_354754559_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_354754559_b.pdb or /var/tmp/from_scwrl_354754559_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_354754559_a.pdb or decoys//var/tmp/from_scwrl_354754559_a.pdb.gz for input Trying /var/tmp/from_scwrl_354754559_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_354754559_a.pdb or /var/tmp/from_scwrl_354754559_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_354754559.pdb or /var/tmp/from_scwrl_354754559_b.pdb or /var/tmp/from_scwrl_354754559_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 T0312 can't currently be optimized by undertaker # naming current conformation SAM_T06_server_TS3 # request to SCWRL produces command: ulimit -t 132 ; scwrl3 -i /var/tmp/to_scwrl_861236480.pdb -s /var/tmp/to_scwrl_861236480.seq -o /var/tmp/from_scwrl_861236480.pdb > /var/tmp/scwrl_861236480.log sh: /var/tmp/scwrl_861236480.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_861236480.pdb or /var/tmp/from_scwrl_861236480.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_861236480_b.pdb or decoys//var/tmp/from_scwrl_861236480_b.pdb.gz for input Trying /var/tmp/from_scwrl_861236480_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_861236480_b.pdb or /var/tmp/from_scwrl_861236480_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_861236480_a.pdb or decoys//var/tmp/from_scwrl_861236480_a.pdb.gz for input Trying /var/tmp/from_scwrl_861236480_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_861236480_a.pdb or /var/tmp/from_scwrl_861236480_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_861236480.pdb or /var/tmp/from_scwrl_861236480_b.pdb or /var/tmp/from_scwrl_861236480_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 T0312 can't currently be optimized by undertaker # naming current conformation SAM_T06_server_TS4 # request to SCWRL produces command: ulimit -t 132 ; scwrl3 -i /var/tmp/to_scwrl_904321521.pdb -s /var/tmp/to_scwrl_904321521.seq -o /var/tmp/from_scwrl_904321521.pdb > /var/tmp/scwrl_904321521.log sh: /var/tmp/scwrl_904321521.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_904321521.pdb or /var/tmp/from_scwrl_904321521.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_904321521_b.pdb or decoys//var/tmp/from_scwrl_904321521_b.pdb.gz for input Trying /var/tmp/from_scwrl_904321521_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_904321521_b.pdb or /var/tmp/from_scwrl_904321521_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_904321521_a.pdb or decoys//var/tmp/from_scwrl_904321521_a.pdb.gz for input Trying /var/tmp/from_scwrl_904321521_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_904321521_a.pdb or /var/tmp/from_scwrl_904321521_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_904321521.pdb or /var/tmp/from_scwrl_904321521_b.pdb or /var/tmp/from_scwrl_904321521_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 T0312 can't currently be optimized by undertaker # naming current conformation SAM_T06_server_TS5 # request to SCWRL produces command: ulimit -t 132 ; scwrl3 -i /var/tmp/to_scwrl_833287242.pdb -s /var/tmp/to_scwrl_833287242.seq -o /var/tmp/from_scwrl_833287242.pdb > /var/tmp/scwrl_833287242.log sh: /var/tmp/scwrl_833287242.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_833287242.pdb or /var/tmp/from_scwrl_833287242.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_833287242_b.pdb or decoys//var/tmp/from_scwrl_833287242_b.pdb.gz for input Trying /var/tmp/from_scwrl_833287242_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_833287242_b.pdb or /var/tmp/from_scwrl_833287242_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_833287242_a.pdb or decoys//var/tmp/from_scwrl_833287242_a.pdb.gz for input Trying /var/tmp/from_scwrl_833287242_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_833287242_a.pdb or /var/tmp/from_scwrl_833287242_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_833287242.pdb or /var/tmp/from_scwrl_833287242_b.pdb or /var/tmp/from_scwrl_833287242_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 120 # copying to AlignedFragments data structure # naming current conformation SP3_TS1 # request to SCWRL produces command: ulimit -t 132 ; scwrl3 -i /var/tmp/to_scwrl_964172219.pdb -s /var/tmp/to_scwrl_964172219.seq -o /var/tmp/from_scwrl_964172219.pdb > /var/tmp/scwrl_964172219.log sh: /var/tmp/scwrl_964172219.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_964172219.pdb or /var/tmp/from_scwrl_964172219.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_964172219_b.pdb or decoys//var/tmp/from_scwrl_964172219_b.pdb.gz for input Trying /var/tmp/from_scwrl_964172219_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_964172219_b.pdb or /var/tmp/from_scwrl_964172219_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_964172219_a.pdb or decoys//var/tmp/from_scwrl_964172219_a.pdb.gz for input Trying /var/tmp/from_scwrl_964172219_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_964172219_a.pdb or /var/tmp/from_scwrl_964172219_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_964172219.pdb or /var/tmp/from_scwrl_964172219_b.pdb or /var/tmp/from_scwrl_964172219_a.pdb Error: no new SCWRL conformation added # naming current conformation SP3_TS1-scwrl # ReadConformPDB reading from PDB file servers/SP3_TS2.pdb.gz looking for model 1 # Found a chain break before 113 # copying to AlignedFragments data structure # naming current conformation SP3_TS2 # request to SCWRL produces command: ulimit -t 132 ; scwrl3 -i /var/tmp/to_scwrl_1762488706.pdb -s /var/tmp/to_scwrl_1762488706.seq -o /var/tmp/from_scwrl_1762488706.pdb > /var/tmp/scwrl_1762488706.log sh: /var/tmp/scwrl_1762488706.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1762488706.pdb or /var/tmp/from_scwrl_1762488706.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1762488706_b.pdb or decoys//var/tmp/from_scwrl_1762488706_b.pdb.gz for input Trying /var/tmp/from_scwrl_1762488706_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1762488706_b.pdb or /var/tmp/from_scwrl_1762488706_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1762488706_a.pdb or decoys//var/tmp/from_scwrl_1762488706_a.pdb.gz for input Trying /var/tmp/from_scwrl_1762488706_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1762488706_a.pdb or /var/tmp/from_scwrl_1762488706_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1762488706.pdb or /var/tmp/from_scwrl_1762488706_b.pdb or /var/tmp/from_scwrl_1762488706_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 68 # copying to AlignedFragments data structure # naming current conformation SP3_TS3 # request to SCWRL produces command: ulimit -t 132 ; scwrl3 -i /var/tmp/to_scwrl_1377906497.pdb -s /var/tmp/to_scwrl_1377906497.seq -o /var/tmp/from_scwrl_1377906497.pdb > /var/tmp/scwrl_1377906497.log sh: /var/tmp/scwrl_1377906497.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1377906497.pdb or /var/tmp/from_scwrl_1377906497.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1377906497_b.pdb or decoys//var/tmp/from_scwrl_1377906497_b.pdb.gz for input Trying /var/tmp/from_scwrl_1377906497_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1377906497_b.pdb or /var/tmp/from_scwrl_1377906497_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1377906497_a.pdb or decoys//var/tmp/from_scwrl_1377906497_a.pdb.gz for input Trying /var/tmp/from_scwrl_1377906497_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1377906497_a.pdb or /var/tmp/from_scwrl_1377906497_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1377906497.pdb or /var/tmp/from_scwrl_1377906497_b.pdb or /var/tmp/from_scwrl_1377906497_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 36 # copying to AlignedFragments data structure # naming current conformation SP3_TS4 # request to SCWRL produces command: ulimit -t 132 ; scwrl3 -i /var/tmp/to_scwrl_1320051300.pdb -s /var/tmp/to_scwrl_1320051300.seq -o /var/tmp/from_scwrl_1320051300.pdb > /var/tmp/scwrl_1320051300.log sh: /var/tmp/scwrl_1320051300.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1320051300.pdb or /var/tmp/from_scwrl_1320051300.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1320051300_b.pdb or decoys//var/tmp/from_scwrl_1320051300_b.pdb.gz for input Trying /var/tmp/from_scwrl_1320051300_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1320051300_b.pdb or /var/tmp/from_scwrl_1320051300_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1320051300_a.pdb or decoys//var/tmp/from_scwrl_1320051300_a.pdb.gz for input Trying /var/tmp/from_scwrl_1320051300_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1320051300_a.pdb or /var/tmp/from_scwrl_1320051300_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1320051300.pdb or /var/tmp/from_scwrl_1320051300_b.pdb or /var/tmp/from_scwrl_1320051300_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 63 # copying to AlignedFragments data structure # naming current conformation SP3_TS5 # request to SCWRL produces command: ulimit -t 132 ; scwrl3 -i /var/tmp/to_scwrl_471174302.pdb -s /var/tmp/to_scwrl_471174302.seq -o /var/tmp/from_scwrl_471174302.pdb > /var/tmp/scwrl_471174302.log sh: /var/tmp/scwrl_471174302.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_471174302.pdb or /var/tmp/from_scwrl_471174302.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_471174302_b.pdb or decoys//var/tmp/from_scwrl_471174302_b.pdb.gz for input Trying /var/tmp/from_scwrl_471174302_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_471174302_b.pdb or /var/tmp/from_scwrl_471174302_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_471174302_a.pdb or decoys//var/tmp/from_scwrl_471174302_a.pdb.gz for input Trying /var/tmp/from_scwrl_471174302_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_471174302_a.pdb or /var/tmp/from_scwrl_471174302_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_471174302.pdb or /var/tmp/from_scwrl_471174302_b.pdb or /var/tmp/from_scwrl_471174302_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 134 # copying to AlignedFragments data structure # naming current conformation SP4_TS1 # request to SCWRL produces command: ulimit -t 132 ; scwrl3 -i /var/tmp/to_scwrl_1593451107.pdb -s /var/tmp/to_scwrl_1593451107.seq -o /var/tmp/from_scwrl_1593451107.pdb > /var/tmp/scwrl_1593451107.log sh: /var/tmp/scwrl_1593451107.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1593451107.pdb or /var/tmp/from_scwrl_1593451107.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1593451107_b.pdb or decoys//var/tmp/from_scwrl_1593451107_b.pdb.gz for input Trying /var/tmp/from_scwrl_1593451107_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1593451107_b.pdb or /var/tmp/from_scwrl_1593451107_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1593451107_a.pdb or decoys//var/tmp/from_scwrl_1593451107_a.pdb.gz for input Trying /var/tmp/from_scwrl_1593451107_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1593451107_a.pdb or /var/tmp/from_scwrl_1593451107_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1593451107.pdb or /var/tmp/from_scwrl_1593451107_b.pdb or /var/tmp/from_scwrl_1593451107_a.pdb Error: no new SCWRL conformation added # naming current conformation SP4_TS1-scwrl # ReadConformPDB reading from PDB file servers/SP4_TS2.pdb.gz looking for model 1 # naming current conformation SP4_TS2 # request to SCWRL produces command: ulimit -t 132 ; scwrl3 -i /var/tmp/to_scwrl_209437814.pdb -s /var/tmp/to_scwrl_209437814.seq -o /var/tmp/from_scwrl_209437814.pdb > /var/tmp/scwrl_209437814.log sh: /var/tmp/scwrl_209437814.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_209437814.pdb or /var/tmp/from_scwrl_209437814.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_209437814_b.pdb or decoys//var/tmp/from_scwrl_209437814_b.pdb.gz for input Trying /var/tmp/from_scwrl_209437814_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_209437814_b.pdb or /var/tmp/from_scwrl_209437814_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_209437814_a.pdb or decoys//var/tmp/from_scwrl_209437814_a.pdb.gz for input Trying /var/tmp/from_scwrl_209437814_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_209437814_a.pdb or /var/tmp/from_scwrl_209437814_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_209437814.pdb or /var/tmp/from_scwrl_209437814_b.pdb or /var/tmp/from_scwrl_209437814_a.pdb Error: no new SCWRL conformation added # naming current conformation SP4_TS2-scwrl # ReadConformPDB reading from PDB file servers/SP4_TS3.pdb.gz looking for model 1 # Found a chain break before 56 # copying to AlignedFragments data structure # naming current conformation SP4_TS3 # request to SCWRL produces command: ulimit -t 132 ; scwrl3 -i /var/tmp/to_scwrl_1742005340.pdb -s /var/tmp/to_scwrl_1742005340.seq -o /var/tmp/from_scwrl_1742005340.pdb > /var/tmp/scwrl_1742005340.log sh: /var/tmp/scwrl_1742005340.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1742005340.pdb or /var/tmp/from_scwrl_1742005340.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1742005340_b.pdb or decoys//var/tmp/from_scwrl_1742005340_b.pdb.gz for input Trying /var/tmp/from_scwrl_1742005340_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1742005340_b.pdb or /var/tmp/from_scwrl_1742005340_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1742005340_a.pdb or decoys//var/tmp/from_scwrl_1742005340_a.pdb.gz for input Trying /var/tmp/from_scwrl_1742005340_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1742005340_a.pdb or /var/tmp/from_scwrl_1742005340_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1742005340.pdb or /var/tmp/from_scwrl_1742005340_b.pdb or /var/tmp/from_scwrl_1742005340_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 108 # copying to AlignedFragments data structure # naming current conformation SP4_TS4 # request to SCWRL produces command: ulimit -t 132 ; scwrl3 -i /var/tmp/to_scwrl_149598846.pdb -s /var/tmp/to_scwrl_149598846.seq -o /var/tmp/from_scwrl_149598846.pdb > /var/tmp/scwrl_149598846.log sh: /var/tmp/scwrl_149598846.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_149598846.pdb or /var/tmp/from_scwrl_149598846.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_149598846_b.pdb or decoys//var/tmp/from_scwrl_149598846_b.pdb.gz for input Trying /var/tmp/from_scwrl_149598846_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_149598846_b.pdb or /var/tmp/from_scwrl_149598846_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_149598846_a.pdb or decoys//var/tmp/from_scwrl_149598846_a.pdb.gz for input Trying /var/tmp/from_scwrl_149598846_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_149598846_a.pdb or /var/tmp/from_scwrl_149598846_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_149598846.pdb or /var/tmp/from_scwrl_149598846_b.pdb or /var/tmp/from_scwrl_149598846_a.pdb Error: no new SCWRL conformation added # naming current conformation SP4_TS4-scwrl # ReadConformPDB reading from PDB file servers/SP4_TS5.pdb.gz looking for model 1 # naming current conformation SP4_TS5 # request to SCWRL produces command: ulimit -t 132 ; scwrl3 -i /var/tmp/to_scwrl_457841502.pdb -s /var/tmp/to_scwrl_457841502.seq -o /var/tmp/from_scwrl_457841502.pdb > /var/tmp/scwrl_457841502.log sh: /var/tmp/scwrl_457841502.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_457841502.pdb or /var/tmp/from_scwrl_457841502.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_457841502_b.pdb or decoys//var/tmp/from_scwrl_457841502_b.pdb.gz for input Trying /var/tmp/from_scwrl_457841502_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_457841502_b.pdb or /var/tmp/from_scwrl_457841502_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_457841502_a.pdb or decoys//var/tmp/from_scwrl_457841502_a.pdb.gz for input Trying /var/tmp/from_scwrl_457841502_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_457841502_a.pdb or /var/tmp/from_scwrl_457841502_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_457841502.pdb or /var/tmp/from_scwrl_457841502_b.pdb or /var/tmp/from_scwrl_457841502_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 65 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS1 # request to SCWRL produces command: ulimit -t 132 ; scwrl3 -i /var/tmp/to_scwrl_1706908547.pdb -s /var/tmp/to_scwrl_1706908547.seq -o /var/tmp/from_scwrl_1706908547.pdb > /var/tmp/scwrl_1706908547.log sh: /var/tmp/scwrl_1706908547.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1706908547.pdb or /var/tmp/from_scwrl_1706908547.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1706908547_b.pdb or decoys//var/tmp/from_scwrl_1706908547_b.pdb.gz for input Trying /var/tmp/from_scwrl_1706908547_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1706908547_b.pdb or /var/tmp/from_scwrl_1706908547_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1706908547_a.pdb or decoys//var/tmp/from_scwrl_1706908547_a.pdb.gz for input Trying /var/tmp/from_scwrl_1706908547_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1706908547_a.pdb or /var/tmp/from_scwrl_1706908547_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1706908547.pdb or /var/tmp/from_scwrl_1706908547_b.pdb or /var/tmp/from_scwrl_1706908547_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 117 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS2 # request to SCWRL produces command: ulimit -t 132 ; scwrl3 -i /var/tmp/to_scwrl_402670696.pdb -s /var/tmp/to_scwrl_402670696.seq -o /var/tmp/from_scwrl_402670696.pdb > /var/tmp/scwrl_402670696.log sh: /var/tmp/scwrl_402670696.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_402670696.pdb or /var/tmp/from_scwrl_402670696.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_402670696_b.pdb or decoys//var/tmp/from_scwrl_402670696_b.pdb.gz for input Trying /var/tmp/from_scwrl_402670696_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_402670696_b.pdb or /var/tmp/from_scwrl_402670696_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_402670696_a.pdb or decoys//var/tmp/from_scwrl_402670696_a.pdb.gz for input Trying /var/tmp/from_scwrl_402670696_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_402670696_a.pdb or /var/tmp/from_scwrl_402670696_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_402670696.pdb or /var/tmp/from_scwrl_402670696_b.pdb or /var/tmp/from_scwrl_402670696_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 113 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS3 # request to SCWRL produces command: ulimit -t 132 ; scwrl3 -i /var/tmp/to_scwrl_738337207.pdb -s /var/tmp/to_scwrl_738337207.seq -o /var/tmp/from_scwrl_738337207.pdb > /var/tmp/scwrl_738337207.log sh: /var/tmp/scwrl_738337207.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_738337207.pdb or /var/tmp/from_scwrl_738337207.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_738337207_b.pdb or decoys//var/tmp/from_scwrl_738337207_b.pdb.gz for input Trying /var/tmp/from_scwrl_738337207_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_738337207_b.pdb or /var/tmp/from_scwrl_738337207_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_738337207_a.pdb or decoys//var/tmp/from_scwrl_738337207_a.pdb.gz for input Trying /var/tmp/from_scwrl_738337207_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_738337207_a.pdb or /var/tmp/from_scwrl_738337207_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_738337207.pdb or /var/tmp/from_scwrl_738337207_b.pdb or /var/tmp/from_scwrl_738337207_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 139 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS4 # request to SCWRL produces command: ulimit -t 132 ; scwrl3 -i /var/tmp/to_scwrl_1509174413.pdb -s /var/tmp/to_scwrl_1509174413.seq -o /var/tmp/from_scwrl_1509174413.pdb > /var/tmp/scwrl_1509174413.log sh: /var/tmp/scwrl_1509174413.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1509174413.pdb or /var/tmp/from_scwrl_1509174413.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1509174413_b.pdb or decoys//var/tmp/from_scwrl_1509174413_b.pdb.gz for input Trying /var/tmp/from_scwrl_1509174413_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1509174413_b.pdb or /var/tmp/from_scwrl_1509174413_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1509174413_a.pdb or decoys//var/tmp/from_scwrl_1509174413_a.pdb.gz for input Trying /var/tmp/from_scwrl_1509174413_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1509174413_a.pdb or /var/tmp/from_scwrl_1509174413_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1509174413.pdb or /var/tmp/from_scwrl_1509174413_b.pdb or /var/tmp/from_scwrl_1509174413_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 130 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS5 # request to SCWRL produces command: ulimit -t 132 ; scwrl3 -i /var/tmp/to_scwrl_157070646.pdb -s /var/tmp/to_scwrl_157070646.seq -o /var/tmp/from_scwrl_157070646.pdb > /var/tmp/scwrl_157070646.log sh: /var/tmp/scwrl_157070646.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_157070646.pdb or /var/tmp/from_scwrl_157070646.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_157070646_b.pdb or decoys//var/tmp/from_scwrl_157070646_b.pdb.gz for input Trying /var/tmp/from_scwrl_157070646_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_157070646_b.pdb or /var/tmp/from_scwrl_157070646_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_157070646_a.pdb or decoys//var/tmp/from_scwrl_157070646_a.pdb.gz for input Trying /var/tmp/from_scwrl_157070646_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_157070646_a.pdb or /var/tmp/from_scwrl_157070646_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_157070646.pdb or /var/tmp/from_scwrl_157070646_b.pdb or /var/tmp/from_scwrl_157070646_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 T0312 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS1 # request to SCWRL produces command: ulimit -t 132 ; scwrl3 -i /var/tmp/to_scwrl_1298520911.pdb -s /var/tmp/to_scwrl_1298520911.seq -o /var/tmp/from_scwrl_1298520911.pdb > /var/tmp/scwrl_1298520911.log sh: /var/tmp/scwrl_1298520911.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1298520911.pdb or /var/tmp/from_scwrl_1298520911.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1298520911_b.pdb or decoys//var/tmp/from_scwrl_1298520911_b.pdb.gz for input Trying /var/tmp/from_scwrl_1298520911_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1298520911_b.pdb or /var/tmp/from_scwrl_1298520911_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1298520911_a.pdb or decoys//var/tmp/from_scwrl_1298520911_a.pdb.gz for input Trying /var/tmp/from_scwrl_1298520911_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1298520911_a.pdb or /var/tmp/from_scwrl_1298520911_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1298520911.pdb or /var/tmp/from_scwrl_1298520911_b.pdb or /var/tmp/from_scwrl_1298520911_a.pdb Error: no new SCWRL conformation added # naming current conformation UNI-EID_bnmx_TS1-scwrl # ReadConformPDB reading from PDB file servers/UNI-EID_expm_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0312 can't currently be optimized by undertaker # naming current conformation UNI-EID_expm_TS1 # request to SCWRL produces command: ulimit -t 132 ; scwrl3 -i /var/tmp/to_scwrl_274816713.pdb -s /var/tmp/to_scwrl_274816713.seq -o /var/tmp/from_scwrl_274816713.pdb > /var/tmp/scwrl_274816713.log sh: /var/tmp/scwrl_274816713.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_274816713.pdb or /var/tmp/from_scwrl_274816713.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_274816713_b.pdb or decoys//var/tmp/from_scwrl_274816713_b.pdb.gz for input Trying /var/tmp/from_scwrl_274816713_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_274816713_b.pdb or /var/tmp/from_scwrl_274816713_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_274816713_a.pdb or decoys//var/tmp/from_scwrl_274816713_a.pdb.gz for input Trying /var/tmp/from_scwrl_274816713_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_274816713_a.pdb or /var/tmp/from_scwrl_274816713_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_274816713.pdb or /var/tmp/from_scwrl_274816713_b.pdb or /var/tmp/from_scwrl_274816713_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 T0312 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL1 # request to SCWRL produces command: ulimit -t 132 ; scwrl3 -i /var/tmp/to_scwrl_945493365.pdb -s /var/tmp/to_scwrl_945493365.seq -o /var/tmp/from_scwrl_945493365.pdb > /var/tmp/scwrl_945493365.log sh: /var/tmp/scwrl_945493365.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_945493365.pdb or /var/tmp/from_scwrl_945493365.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_945493365_b.pdb or decoys//var/tmp/from_scwrl_945493365_b.pdb.gz for input Trying /var/tmp/from_scwrl_945493365_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_945493365_b.pdb or /var/tmp/from_scwrl_945493365_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_945493365_a.pdb or decoys//var/tmp/from_scwrl_945493365_a.pdb.gz for input Trying /var/tmp/from_scwrl_945493365_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_945493365_a.pdb or /var/tmp/from_scwrl_945493365_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_945493365.pdb or /var/tmp/from_scwrl_945493365_b.pdb or /var/tmp/from_scwrl_945493365_a.pdb Error: no new SCWRL conformation added # naming current conformation UNI-EID_sfst_AL1-scwrl # ReadConformPDB reading from PDB file servers/Zhang-Server_TS1.pdb.gz looking for model 1 # Found a chain break before 137 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS1 # request to SCWRL produces command: ulimit -t 132 ; scwrl3 -i /var/tmp/to_scwrl_704997242.pdb -s /var/tmp/to_scwrl_704997242.seq -o /var/tmp/from_scwrl_704997242.pdb > /var/tmp/scwrl_704997242.log sh: /var/tmp/scwrl_704997242.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_704997242.pdb or /var/tmp/from_scwrl_704997242.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_704997242_b.pdb or decoys//var/tmp/from_scwrl_704997242_b.pdb.gz for input Trying /var/tmp/from_scwrl_704997242_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_704997242_b.pdb or /var/tmp/from_scwrl_704997242_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_704997242_a.pdb or decoys//var/tmp/from_scwrl_704997242_a.pdb.gz for input Trying /var/tmp/from_scwrl_704997242_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_704997242_a.pdb or /var/tmp/from_scwrl_704997242_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_704997242.pdb or /var/tmp/from_scwrl_704997242_b.pdb or /var/tmp/from_scwrl_704997242_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 145 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS2 # request to SCWRL produces command: ulimit -t 132 ; scwrl3 -i /var/tmp/to_scwrl_757189668.pdb -s /var/tmp/to_scwrl_757189668.seq -o /var/tmp/from_scwrl_757189668.pdb > /var/tmp/scwrl_757189668.log sh: /var/tmp/scwrl_757189668.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_757189668.pdb or /var/tmp/from_scwrl_757189668.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_757189668_b.pdb or decoys//var/tmp/from_scwrl_757189668_b.pdb.gz for input Trying /var/tmp/from_scwrl_757189668_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_757189668_b.pdb or /var/tmp/from_scwrl_757189668_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_757189668_a.pdb or decoys//var/tmp/from_scwrl_757189668_a.pdb.gz for input Trying /var/tmp/from_scwrl_757189668_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_757189668_a.pdb or /var/tmp/from_scwrl_757189668_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_757189668.pdb or /var/tmp/from_scwrl_757189668_b.pdb or /var/tmp/from_scwrl_757189668_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 126 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS3 # request to SCWRL produces command: ulimit -t 132 ; scwrl3 -i /var/tmp/to_scwrl_510369718.pdb -s /var/tmp/to_scwrl_510369718.seq -o /var/tmp/from_scwrl_510369718.pdb > /var/tmp/scwrl_510369718.log sh: /var/tmp/scwrl_510369718.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_510369718.pdb or /var/tmp/from_scwrl_510369718.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_510369718_b.pdb or decoys//var/tmp/from_scwrl_510369718_b.pdb.gz for input Trying /var/tmp/from_scwrl_510369718_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_510369718_b.pdb or /var/tmp/from_scwrl_510369718_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_510369718_a.pdb or decoys//var/tmp/from_scwrl_510369718_a.pdb.gz for input Trying /var/tmp/from_scwrl_510369718_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_510369718_a.pdb or /var/tmp/from_scwrl_510369718_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_510369718.pdb or /var/tmp/from_scwrl_510369718_b.pdb or /var/tmp/from_scwrl_510369718_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 139 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS4 # request to SCWRL produces command: ulimit -t 132 ; scwrl3 -i /var/tmp/to_scwrl_691609394.pdb -s /var/tmp/to_scwrl_691609394.seq -o /var/tmp/from_scwrl_691609394.pdb > /var/tmp/scwrl_691609394.log sh: /var/tmp/scwrl_691609394.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_691609394.pdb or /var/tmp/from_scwrl_691609394.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_691609394_b.pdb or decoys//var/tmp/from_scwrl_691609394_b.pdb.gz for input Trying /var/tmp/from_scwrl_691609394_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_691609394_b.pdb or /var/tmp/from_scwrl_691609394_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_691609394_a.pdb or decoys//var/tmp/from_scwrl_691609394_a.pdb.gz for input Trying /var/tmp/from_scwrl_691609394_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_691609394_a.pdb or /var/tmp/from_scwrl_691609394_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_691609394.pdb or /var/tmp/from_scwrl_691609394_b.pdb or /var/tmp/from_scwrl_691609394_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 143 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS5 # request to SCWRL produces command: ulimit -t 132 ; scwrl3 -i /var/tmp/to_scwrl_2067550984.pdb -s /var/tmp/to_scwrl_2067550984.seq -o /var/tmp/from_scwrl_2067550984.pdb > /var/tmp/scwrl_2067550984.log sh: /var/tmp/scwrl_2067550984.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_2067550984.pdb or /var/tmp/from_scwrl_2067550984.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2067550984_b.pdb or decoys//var/tmp/from_scwrl_2067550984_b.pdb.gz for input Trying /var/tmp/from_scwrl_2067550984_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_2067550984_b.pdb or /var/tmp/from_scwrl_2067550984_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2067550984_a.pdb or decoys//var/tmp/from_scwrl_2067550984_a.pdb.gz for input Trying /var/tmp/from_scwrl_2067550984_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_2067550984_a.pdb or /var/tmp/from_scwrl_2067550984_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_2067550984.pdb or /var/tmp/from_scwrl_2067550984_b.pdb or /var/tmp/from_scwrl_2067550984_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 T0312 can't currently be optimized by undertaker # naming current conformation beautshot_TS1 # request to SCWRL produces command: ulimit -t 132 ; scwrl3 -i /var/tmp/to_scwrl_1911028465.pdb -s /var/tmp/to_scwrl_1911028465.seq -o /var/tmp/from_scwrl_1911028465.pdb > /var/tmp/scwrl_1911028465.log sh: /var/tmp/scwrl_1911028465.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1911028465.pdb or /var/tmp/from_scwrl_1911028465.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1911028465_b.pdb or decoys//var/tmp/from_scwrl_1911028465_b.pdb.gz for input Trying /var/tmp/from_scwrl_1911028465_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1911028465_b.pdb or /var/tmp/from_scwrl_1911028465_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1911028465_a.pdb or decoys//var/tmp/from_scwrl_1911028465_a.pdb.gz for input Trying /var/tmp/from_scwrl_1911028465_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1911028465_a.pdb or /var/tmp/from_scwrl_1911028465_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1911028465.pdb or /var/tmp/from_scwrl_1911028465_b.pdb or /var/tmp/from_scwrl_1911028465_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 T0312 can't currently be optimized by undertaker # naming current conformation beautshotbase_TS1 # request to SCWRL produces command: ulimit -t 132 ; scwrl3 -i /var/tmp/to_scwrl_1796168017.pdb -s /var/tmp/to_scwrl_1796168017.seq -o /var/tmp/from_scwrl_1796168017.pdb > /var/tmp/scwrl_1796168017.log sh: /var/tmp/scwrl_1796168017.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1796168017.pdb or /var/tmp/from_scwrl_1796168017.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1796168017_b.pdb or decoys//var/tmp/from_scwrl_1796168017_b.pdb.gz for input Trying /var/tmp/from_scwrl_1796168017_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1796168017_b.pdb or /var/tmp/from_scwrl_1796168017_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1796168017_a.pdb or decoys//var/tmp/from_scwrl_1796168017_a.pdb.gz for input Trying /var/tmp/from_scwrl_1796168017_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1796168017_a.pdb or /var/tmp/from_scwrl_1796168017_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1796168017.pdb or /var/tmp/from_scwrl_1796168017_b.pdb or /var/tmp/from_scwrl_1796168017_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 T0312 can't currently be optimized by undertaker # naming current conformation forecast-s_AL1 # request to SCWRL produces command: ulimit -t 132 ; scwrl3 -i /var/tmp/to_scwrl_943630992.pdb -s /var/tmp/to_scwrl_943630992.seq -o /var/tmp/from_scwrl_943630992.pdb > /var/tmp/scwrl_943630992.log sh: /var/tmp/scwrl_943630992.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_943630992.pdb or /var/tmp/from_scwrl_943630992.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_943630992_b.pdb or decoys//var/tmp/from_scwrl_943630992_b.pdb.gz for input Trying /var/tmp/from_scwrl_943630992_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_943630992_b.pdb or /var/tmp/from_scwrl_943630992_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_943630992_a.pdb or decoys//var/tmp/from_scwrl_943630992_a.pdb.gz for input Trying /var/tmp/from_scwrl_943630992_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_943630992_a.pdb or /var/tmp/from_scwrl_943630992_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_943630992.pdb or /var/tmp/from_scwrl_943630992_b.pdb or /var/tmp/from_scwrl_943630992_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 Skipped atom 207, because occupancy 1 <= existing 1.000 in servers/forecast-s_AL2.pdb.gz # WARNING: incomplete conformation T0312 can't currently be optimized by undertaker # naming current conformation forecast-s_AL2 # request to SCWRL produces command: ulimit -t 132 ; scwrl3 -i /var/tmp/to_scwrl_1587061053.pdb -s /var/tmp/to_scwrl_1587061053.seq -o /var/tmp/from_scwrl_1587061053.pdb > /var/tmp/scwrl_1587061053.log sh: /var/tmp/scwrl_1587061053.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1587061053.pdb or /var/tmp/from_scwrl_1587061053.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1587061053_b.pdb or decoys//var/tmp/from_scwrl_1587061053_b.pdb.gz for input Trying /var/tmp/from_scwrl_1587061053_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1587061053_b.pdb or /var/tmp/from_scwrl_1587061053_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1587061053_a.pdb or decoys//var/tmp/from_scwrl_1587061053_a.pdb.gz for input Trying /var/tmp/from_scwrl_1587061053_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1587061053_a.pdb or /var/tmp/from_scwrl_1587061053_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1587061053.pdb or /var/tmp/from_scwrl_1587061053_b.pdb or /var/tmp/from_scwrl_1587061053_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 T0312 can't currently be optimized by undertaker # naming current conformation forecast-s_AL3 # request to SCWRL produces command: ulimit -t 132 ; scwrl3 -i /var/tmp/to_scwrl_3438929.pdb -s /var/tmp/to_scwrl_3438929.seq -o /var/tmp/from_scwrl_3438929.pdb > /var/tmp/scwrl_3438929.log sh: /var/tmp/scwrl_3438929.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_3438929.pdb or /var/tmp/from_scwrl_3438929.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_3438929_b.pdb or decoys//var/tmp/from_scwrl_3438929_b.pdb.gz for input Trying /var/tmp/from_scwrl_3438929_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_3438929_b.pdb or /var/tmp/from_scwrl_3438929_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_3438929_a.pdb or decoys//var/tmp/from_scwrl_3438929_a.pdb.gz for input Trying /var/tmp/from_scwrl_3438929_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_3438929_a.pdb or /var/tmp/from_scwrl_3438929_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_3438929.pdb or /var/tmp/from_scwrl_3438929_b.pdb or /var/tmp/from_scwrl_3438929_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 T0312 can't currently be optimized by undertaker # naming current conformation forecast-s_AL4 # request to SCWRL produces command: ulimit -t 132 ; scwrl3 -i /var/tmp/to_scwrl_1804867471.pdb -s /var/tmp/to_scwrl_1804867471.seq -o /var/tmp/from_scwrl_1804867471.pdb > /var/tmp/scwrl_1804867471.log sh: /var/tmp/scwrl_1804867471.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1804867471.pdb or /var/tmp/from_scwrl_1804867471.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1804867471_b.pdb or decoys//var/tmp/from_scwrl_1804867471_b.pdb.gz for input Trying /var/tmp/from_scwrl_1804867471_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1804867471_b.pdb or /var/tmp/from_scwrl_1804867471_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1804867471_a.pdb or decoys//var/tmp/from_scwrl_1804867471_a.pdb.gz for input Trying /var/tmp/from_scwrl_1804867471_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1804867471_a.pdb or /var/tmp/from_scwrl_1804867471_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1804867471.pdb or /var/tmp/from_scwrl_1804867471_b.pdb or /var/tmp/from_scwrl_1804867471_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 T0312 can't currently be optimized by undertaker # naming current conformation forecast-s_AL5 # request to SCWRL produces command: ulimit -t 132 ; scwrl3 -i /var/tmp/to_scwrl_343898927.pdb -s /var/tmp/to_scwrl_343898927.seq -o /var/tmp/from_scwrl_343898927.pdb > /var/tmp/scwrl_343898927.log sh: /var/tmp/scwrl_343898927.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_343898927.pdb or /var/tmp/from_scwrl_343898927.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_343898927_b.pdb or decoys//var/tmp/from_scwrl_343898927_b.pdb.gz for input Trying /var/tmp/from_scwrl_343898927_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_343898927_b.pdb or /var/tmp/from_scwrl_343898927_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_343898927_a.pdb or decoys//var/tmp/from_scwrl_343898927_a.pdb.gz for input Trying /var/tmp/from_scwrl_343898927_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_343898927_a.pdb or /var/tmp/from_scwrl_343898927_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_343898927.pdb or /var/tmp/from_scwrl_343898927_b.pdb or /var/tmp/from_scwrl_343898927_a.pdb Error: no new SCWRL conformation added # naming current conformation forecast-s_AL5-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv.2_TS1.pdb.gz looking for model 1 # naming current conformation karypis.srv.2_TS1 # request to SCWRL produces command: ulimit -t 132 ; scwrl3 -i /var/tmp/to_scwrl_836726171.pdb -s /var/tmp/to_scwrl_836726171.seq -o /var/tmp/from_scwrl_836726171.pdb > /var/tmp/scwrl_836726171.log sh: /var/tmp/scwrl_836726171.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_836726171.pdb or /var/tmp/from_scwrl_836726171.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_836726171_b.pdb or decoys//var/tmp/from_scwrl_836726171_b.pdb.gz for input Trying /var/tmp/from_scwrl_836726171_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_836726171_b.pdb or /var/tmp/from_scwrl_836726171_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_836726171_a.pdb or decoys//var/tmp/from_scwrl_836726171_a.pdb.gz for input Trying /var/tmp/from_scwrl_836726171_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_836726171_a.pdb or /var/tmp/from_scwrl_836726171_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_836726171.pdb or /var/tmp/from_scwrl_836726171_b.pdb or /var/tmp/from_scwrl_836726171_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 111 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS2 # request to SCWRL produces command: ulimit -t 132 ; scwrl3 -i /var/tmp/to_scwrl_621556043.pdb -s /var/tmp/to_scwrl_621556043.seq -o /var/tmp/from_scwrl_621556043.pdb > /var/tmp/scwrl_621556043.log sh: /var/tmp/scwrl_621556043.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_621556043.pdb or /var/tmp/from_scwrl_621556043.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_621556043_b.pdb or decoys//var/tmp/from_scwrl_621556043_b.pdb.gz for input Trying /var/tmp/from_scwrl_621556043_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_621556043_b.pdb or /var/tmp/from_scwrl_621556043_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_621556043_a.pdb or decoys//var/tmp/from_scwrl_621556043_a.pdb.gz for input Trying /var/tmp/from_scwrl_621556043_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_621556043_a.pdb or /var/tmp/from_scwrl_621556043_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_621556043.pdb or /var/tmp/from_scwrl_621556043_b.pdb or /var/tmp/from_scwrl_621556043_a.pdb Error: no new SCWRL conformation added # naming current conformation karypis.srv.2_TS2-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv.2_TS3.pdb.gz looking for model 1 # Found a chain break before 74 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS3 # request to SCWRL produces command: ulimit -t 132 ; scwrl3 -i /var/tmp/to_scwrl_2106387633.pdb -s /var/tmp/to_scwrl_2106387633.seq -o /var/tmp/from_scwrl_2106387633.pdb > /var/tmp/scwrl_2106387633.log sh: /var/tmp/scwrl_2106387633.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_2106387633.pdb or /var/tmp/from_scwrl_2106387633.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2106387633_b.pdb or decoys//var/tmp/from_scwrl_2106387633_b.pdb.gz for input Trying /var/tmp/from_scwrl_2106387633_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_2106387633_b.pdb or /var/tmp/from_scwrl_2106387633_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2106387633_a.pdb or decoys//var/tmp/from_scwrl_2106387633_a.pdb.gz for input Trying /var/tmp/from_scwrl_2106387633_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_2106387633_a.pdb or /var/tmp/from_scwrl_2106387633_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_2106387633.pdb or /var/tmp/from_scwrl_2106387633_b.pdb or /var/tmp/from_scwrl_2106387633_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 28 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS4 # request to SCWRL produces command: ulimit -t 132 ; scwrl3 -i /var/tmp/to_scwrl_67149021.pdb -s /var/tmp/to_scwrl_67149021.seq -o /var/tmp/from_scwrl_67149021.pdb > /var/tmp/scwrl_67149021.log sh: /var/tmp/scwrl_67149021.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_67149021.pdb or /var/tmp/from_scwrl_67149021.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_67149021_b.pdb or decoys//var/tmp/from_scwrl_67149021_b.pdb.gz for input Trying /var/tmp/from_scwrl_67149021_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_67149021_b.pdb or /var/tmp/from_scwrl_67149021_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_67149021_a.pdb or decoys//var/tmp/from_scwrl_67149021_a.pdb.gz for input Trying /var/tmp/from_scwrl_67149021_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_67149021_a.pdb or /var/tmp/from_scwrl_67149021_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_67149021.pdb or /var/tmp/from_scwrl_67149021_b.pdb or /var/tmp/from_scwrl_67149021_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 99 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS5 # request to SCWRL produces command: ulimit -t 132 ; scwrl3 -i /var/tmp/to_scwrl_1941607343.pdb -s /var/tmp/to_scwrl_1941607343.seq -o /var/tmp/from_scwrl_1941607343.pdb > /var/tmp/scwrl_1941607343.log sh: /var/tmp/scwrl_1941607343.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1941607343.pdb or /var/tmp/from_scwrl_1941607343.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1941607343_b.pdb or decoys//var/tmp/from_scwrl_1941607343_b.pdb.gz for input Trying /var/tmp/from_scwrl_1941607343_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1941607343_b.pdb or /var/tmp/from_scwrl_1941607343_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1941607343_a.pdb or decoys//var/tmp/from_scwrl_1941607343_a.pdb.gz for input Trying /var/tmp/from_scwrl_1941607343_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1941607343_a.pdb or /var/tmp/from_scwrl_1941607343_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1941607343.pdb or /var/tmp/from_scwrl_1941607343_b.pdb or /var/tmp/from_scwrl_1941607343_a.pdb Error: no new SCWRL conformation added # naming current conformation karypis.srv.2_TS5-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv.4_TS1.pdb.gz looking for model 1 # Found a chain break before 143 # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS1 # request to SCWRL produces command: ulimit -t 132 ; scwrl3 -i /var/tmp/to_scwrl_430078289.pdb -s /var/tmp/to_scwrl_430078289.seq -o /var/tmp/from_scwrl_430078289.pdb > /var/tmp/scwrl_430078289.log sh: /var/tmp/scwrl_430078289.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_430078289.pdb or /var/tmp/from_scwrl_430078289.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_430078289_b.pdb or decoys//var/tmp/from_scwrl_430078289_b.pdb.gz for input Trying /var/tmp/from_scwrl_430078289_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_430078289_b.pdb or /var/tmp/from_scwrl_430078289_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_430078289_a.pdb or decoys//var/tmp/from_scwrl_430078289_a.pdb.gz for input Trying /var/tmp/from_scwrl_430078289_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_430078289_a.pdb or /var/tmp/from_scwrl_430078289_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_430078289.pdb or /var/tmp/from_scwrl_430078289_b.pdb or /var/tmp/from_scwrl_430078289_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 145 # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS2 # request to SCWRL produces command: ulimit -t 132 ; scwrl3 -i /var/tmp/to_scwrl_1660600128.pdb -s /var/tmp/to_scwrl_1660600128.seq -o /var/tmp/from_scwrl_1660600128.pdb > /var/tmp/scwrl_1660600128.log sh: /var/tmp/scwrl_1660600128.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1660600128.pdb or /var/tmp/from_scwrl_1660600128.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1660600128_b.pdb or decoys//var/tmp/from_scwrl_1660600128_b.pdb.gz for input Trying /var/tmp/from_scwrl_1660600128_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1660600128_b.pdb or /var/tmp/from_scwrl_1660600128_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1660600128_a.pdb or decoys//var/tmp/from_scwrl_1660600128_a.pdb.gz for input Trying /var/tmp/from_scwrl_1660600128_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1660600128_a.pdb or /var/tmp/from_scwrl_1660600128_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1660600128.pdb or /var/tmp/from_scwrl_1660600128_b.pdb or /var/tmp/from_scwrl_1660600128_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 WARNING: atoms too close: (T0312)L66.O and (T0312)M67.N only 0.000 apart, marking (T0312)M67.N as missing # WARNING: incomplete conformation T0312 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS3 # request to SCWRL produces command: ulimit -t 132 ; scwrl3 -i /var/tmp/to_scwrl_3561510.pdb -s /var/tmp/to_scwrl_3561510.seq -o /var/tmp/from_scwrl_3561510.pdb > /var/tmp/scwrl_3561510.log sh: /var/tmp/scwrl_3561510.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_3561510.pdb or /var/tmp/from_scwrl_3561510.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_3561510_b.pdb or decoys//var/tmp/from_scwrl_3561510_b.pdb.gz for input Trying /var/tmp/from_scwrl_3561510_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_3561510_b.pdb or /var/tmp/from_scwrl_3561510_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_3561510_a.pdb or decoys//var/tmp/from_scwrl_3561510_a.pdb.gz for input Trying /var/tmp/from_scwrl_3561510_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_3561510_a.pdb or /var/tmp/from_scwrl_3561510_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_3561510.pdb or /var/tmp/from_scwrl_3561510_b.pdb or /var/tmp/from_scwrl_3561510_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 WARNING: atoms too close: (T0312)E131.O and (T0312)Q132.N only 0.000 apart, marking (T0312)Q132.N as missing # WARNING: incomplete conformation T0312 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS4 # request to SCWRL produces command: ulimit -t 132 ; scwrl3 -i /var/tmp/to_scwrl_24599982.pdb -s /var/tmp/to_scwrl_24599982.seq -o /var/tmp/from_scwrl_24599982.pdb > /var/tmp/scwrl_24599982.log sh: /var/tmp/scwrl_24599982.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_24599982.pdb or /var/tmp/from_scwrl_24599982.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_24599982_b.pdb or decoys//var/tmp/from_scwrl_24599982_b.pdb.gz for input Trying /var/tmp/from_scwrl_24599982_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_24599982_b.pdb or /var/tmp/from_scwrl_24599982_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_24599982_a.pdb or decoys//var/tmp/from_scwrl_24599982_a.pdb.gz for input Trying /var/tmp/from_scwrl_24599982_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_24599982_a.pdb or /var/tmp/from_scwrl_24599982_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_24599982.pdb or /var/tmp/from_scwrl_24599982_b.pdb or /var/tmp/from_scwrl_24599982_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 143 # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS5 # request to SCWRL produces command: ulimit -t 132 ; scwrl3 -i /var/tmp/to_scwrl_1810198974.pdb -s /var/tmp/to_scwrl_1810198974.seq -o /var/tmp/from_scwrl_1810198974.pdb > /var/tmp/scwrl_1810198974.log sh: /var/tmp/scwrl_1810198974.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1810198974.pdb or /var/tmp/from_scwrl_1810198974.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1810198974_b.pdb or decoys//var/tmp/from_scwrl_1810198974_b.pdb.gz for input Trying /var/tmp/from_scwrl_1810198974_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1810198974_b.pdb or /var/tmp/from_scwrl_1810198974_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1810198974_a.pdb or decoys//var/tmp/from_scwrl_1810198974_a.pdb.gz for input Trying /var/tmp/from_scwrl_1810198974_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1810198974_a.pdb or /var/tmp/from_scwrl_1810198974_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1810198974.pdb or /var/tmp/from_scwrl_1810198974_b.pdb or /var/tmp/from_scwrl_1810198974_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 T0312 can't currently be optimized by undertaker # naming current conformation karypis.srv_TS1 # request to SCWRL produces command: ulimit -t 132 ; scwrl3 -i /var/tmp/to_scwrl_461403012.pdb -s /var/tmp/to_scwrl_461403012.seq -o /var/tmp/from_scwrl_461403012.pdb > /var/tmp/scwrl_461403012.log sh: /var/tmp/scwrl_461403012.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_461403012.pdb or /var/tmp/from_scwrl_461403012.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_461403012_b.pdb or decoys//var/tmp/from_scwrl_461403012_b.pdb.gz for input Trying /var/tmp/from_scwrl_461403012_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_461403012_b.pdb or /var/tmp/from_scwrl_461403012_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_461403012_a.pdb or decoys//var/tmp/from_scwrl_461403012_a.pdb.gz for input Trying /var/tmp/from_scwrl_461403012_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_461403012_a.pdb or /var/tmp/from_scwrl_461403012_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_461403012.pdb or /var/tmp/from_scwrl_461403012_b.pdb or /var/tmp/from_scwrl_461403012_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 T0312 can't currently be optimized by undertaker # naming current conformation karypis.srv_TS2 # request to SCWRL produces command: ulimit -t 132 ; scwrl3 -i /var/tmp/to_scwrl_1731508529.pdb -s /var/tmp/to_scwrl_1731508529.seq -o /var/tmp/from_scwrl_1731508529.pdb > /var/tmp/scwrl_1731508529.log sh: /var/tmp/scwrl_1731508529.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1731508529.pdb or /var/tmp/from_scwrl_1731508529.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1731508529_b.pdb or decoys//var/tmp/from_scwrl_1731508529_b.pdb.gz for input Trying /var/tmp/from_scwrl_1731508529_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1731508529_b.pdb or /var/tmp/from_scwrl_1731508529_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1731508529_a.pdb or decoys//var/tmp/from_scwrl_1731508529_a.pdb.gz for input Trying /var/tmp/from_scwrl_1731508529_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1731508529_a.pdb or /var/tmp/from_scwrl_1731508529_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1731508529.pdb or /var/tmp/from_scwrl_1731508529_b.pdb or /var/tmp/from_scwrl_1731508529_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 # Found a chain break before 48 # copying to AlignedFragments data structure # naming current conformation karypis.srv_TS3 # request to SCWRL produces command: ulimit -t 132 ; scwrl3 -i /var/tmp/to_scwrl_65386023.pdb -s /var/tmp/to_scwrl_65386023.seq -o /var/tmp/from_scwrl_65386023.pdb > /var/tmp/scwrl_65386023.log sh: /var/tmp/scwrl_65386023.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_65386023.pdb or /var/tmp/from_scwrl_65386023.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_65386023_b.pdb or decoys//var/tmp/from_scwrl_65386023_b.pdb.gz for input Trying /var/tmp/from_scwrl_65386023_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_65386023_b.pdb or /var/tmp/from_scwrl_65386023_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_65386023_a.pdb or decoys//var/tmp/from_scwrl_65386023_a.pdb.gz for input Trying /var/tmp/from_scwrl_65386023_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_65386023_a.pdb or /var/tmp/from_scwrl_65386023_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_65386023.pdb or /var/tmp/from_scwrl_65386023_b.pdb or /var/tmp/from_scwrl_65386023_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 T0312 can't currently be optimized by undertaker # naming current conformation karypis.srv_TS4 # request to SCWRL produces command: ulimit -t 132 ; scwrl3 -i /var/tmp/to_scwrl_1199740218.pdb -s /var/tmp/to_scwrl_1199740218.seq -o /var/tmp/from_scwrl_1199740218.pdb > /var/tmp/scwrl_1199740218.log sh: /var/tmp/scwrl_1199740218.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1199740218.pdb or /var/tmp/from_scwrl_1199740218.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1199740218_b.pdb or decoys//var/tmp/from_scwrl_1199740218_b.pdb.gz for input Trying /var/tmp/from_scwrl_1199740218_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1199740218_b.pdb or /var/tmp/from_scwrl_1199740218_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1199740218_a.pdb or decoys//var/tmp/from_scwrl_1199740218_a.pdb.gz for input Trying /var/tmp/from_scwrl_1199740218_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1199740218_a.pdb or /var/tmp/from_scwrl_1199740218_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1199740218.pdb or /var/tmp/from_scwrl_1199740218_b.pdb or /var/tmp/from_scwrl_1199740218_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 T0312 can't currently be optimized by undertaker # naming current conformation karypis.srv_TS5 # request to SCWRL produces command: ulimit -t 132 ; scwrl3 -i /var/tmp/to_scwrl_1093199295.pdb -s /var/tmp/to_scwrl_1093199295.seq -o /var/tmp/from_scwrl_1093199295.pdb > /var/tmp/scwrl_1093199295.log sh: /var/tmp/scwrl_1093199295.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1093199295.pdb or /var/tmp/from_scwrl_1093199295.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1093199295_b.pdb or decoys//var/tmp/from_scwrl_1093199295_b.pdb.gz for input Trying /var/tmp/from_scwrl_1093199295_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1093199295_b.pdb or /var/tmp/from_scwrl_1093199295_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1093199295_a.pdb or decoys//var/tmp/from_scwrl_1093199295_a.pdb.gz for input Trying /var/tmp/from_scwrl_1093199295_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1093199295_a.pdb or /var/tmp/from_scwrl_1093199295_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1093199295.pdb or /var/tmp/from_scwrl_1093199295_b.pdb or /var/tmp/from_scwrl_1093199295_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 139 # copying to AlignedFragments data structure # naming current conformation keasar-server_TS1 # request to SCWRL produces command: ulimit -t 132 ; scwrl3 -i /var/tmp/to_scwrl_222456670.pdb -s /var/tmp/to_scwrl_222456670.seq -o /var/tmp/from_scwrl_222456670.pdb > /var/tmp/scwrl_222456670.log sh: /var/tmp/scwrl_222456670.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_222456670.pdb or /var/tmp/from_scwrl_222456670.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_222456670_b.pdb or decoys//var/tmp/from_scwrl_222456670_b.pdb.gz for input Trying /var/tmp/from_scwrl_222456670_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_222456670_b.pdb or /var/tmp/from_scwrl_222456670_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_222456670_a.pdb or decoys//var/tmp/from_scwrl_222456670_a.pdb.gz for input Trying /var/tmp/from_scwrl_222456670_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_222456670_a.pdb or /var/tmp/from_scwrl_222456670_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_222456670.pdb or /var/tmp/from_scwrl_222456670_b.pdb or /var/tmp/from_scwrl_222456670_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 105 # copying to AlignedFragments data structure # naming current conformation keasar-server_TS2 # request to SCWRL produces command: ulimit -t 132 ; scwrl3 -i /var/tmp/to_scwrl_350777483.pdb -s /var/tmp/to_scwrl_350777483.seq -o /var/tmp/from_scwrl_350777483.pdb > /var/tmp/scwrl_350777483.log sh: /var/tmp/scwrl_350777483.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_350777483.pdb or /var/tmp/from_scwrl_350777483.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_350777483_b.pdb or decoys//var/tmp/from_scwrl_350777483_b.pdb.gz for input Trying /var/tmp/from_scwrl_350777483_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_350777483_b.pdb or /var/tmp/from_scwrl_350777483_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_350777483_a.pdb or decoys//var/tmp/from_scwrl_350777483_a.pdb.gz for input Trying /var/tmp/from_scwrl_350777483_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_350777483_a.pdb or /var/tmp/from_scwrl_350777483_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_350777483.pdb or /var/tmp/from_scwrl_350777483_b.pdb or /var/tmp/from_scwrl_350777483_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 131 # copying to AlignedFragments data structure # naming current conformation keasar-server_TS3 # request to SCWRL produces command: ulimit -t 132 ; scwrl3 -i /var/tmp/to_scwrl_1368016008.pdb -s /var/tmp/to_scwrl_1368016008.seq -o /var/tmp/from_scwrl_1368016008.pdb > /var/tmp/scwrl_1368016008.log sh: /var/tmp/scwrl_1368016008.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1368016008.pdb or /var/tmp/from_scwrl_1368016008.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1368016008_b.pdb or decoys//var/tmp/from_scwrl_1368016008_b.pdb.gz for input Trying /var/tmp/from_scwrl_1368016008_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1368016008_b.pdb or /var/tmp/from_scwrl_1368016008_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1368016008_a.pdb or decoys//var/tmp/from_scwrl_1368016008_a.pdb.gz for input Trying /var/tmp/from_scwrl_1368016008_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1368016008_a.pdb or /var/tmp/from_scwrl_1368016008_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1368016008.pdb or /var/tmp/from_scwrl_1368016008_b.pdb or /var/tmp/from_scwrl_1368016008_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 140 # copying to AlignedFragments data structure # naming current conformation keasar-server_TS4 # request to SCWRL produces command: ulimit -t 132 ; scwrl3 -i /var/tmp/to_scwrl_1167950034.pdb -s /var/tmp/to_scwrl_1167950034.seq -o /var/tmp/from_scwrl_1167950034.pdb > /var/tmp/scwrl_1167950034.log sh: /var/tmp/scwrl_1167950034.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1167950034.pdb or /var/tmp/from_scwrl_1167950034.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1167950034_b.pdb or decoys//var/tmp/from_scwrl_1167950034_b.pdb.gz for input Trying /var/tmp/from_scwrl_1167950034_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1167950034_b.pdb or /var/tmp/from_scwrl_1167950034_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1167950034_a.pdb or decoys//var/tmp/from_scwrl_1167950034_a.pdb.gz for input Trying /var/tmp/from_scwrl_1167950034_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1167950034_a.pdb or /var/tmp/from_scwrl_1167950034_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1167950034.pdb or /var/tmp/from_scwrl_1167950034_b.pdb or /var/tmp/from_scwrl_1167950034_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 116 # copying to AlignedFragments data structure # naming current conformation keasar-server_TS5 # request to SCWRL produces command: ulimit -t 132 ; scwrl3 -i /var/tmp/to_scwrl_1055774726.pdb -s /var/tmp/to_scwrl_1055774726.seq -o /var/tmp/from_scwrl_1055774726.pdb > /var/tmp/scwrl_1055774726.log sh: /var/tmp/scwrl_1055774726.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1055774726.pdb or /var/tmp/from_scwrl_1055774726.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1055774726_b.pdb or decoys//var/tmp/from_scwrl_1055774726_b.pdb.gz for input Trying /var/tmp/from_scwrl_1055774726_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1055774726_b.pdb or /var/tmp/from_scwrl_1055774726_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1055774726_a.pdb or decoys//var/tmp/from_scwrl_1055774726_a.pdb.gz for input Trying /var/tmp/from_scwrl_1055774726_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1055774726_a.pdb or /var/tmp/from_scwrl_1055774726_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1055774726.pdb or /var/tmp/from_scwrl_1055774726_b.pdb or /var/tmp/from_scwrl_1055774726_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 T0312 can't currently be optimized by undertaker # naming current conformation mGen-3D_TS1 # request to SCWRL produces command: ulimit -t 132 ; scwrl3 -i /var/tmp/to_scwrl_2125205677.pdb -s /var/tmp/to_scwrl_2125205677.seq -o /var/tmp/from_scwrl_2125205677.pdb > /var/tmp/scwrl_2125205677.log sh: /var/tmp/scwrl_2125205677.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_2125205677.pdb or /var/tmp/from_scwrl_2125205677.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2125205677_b.pdb or decoys//var/tmp/from_scwrl_2125205677_b.pdb.gz for input Trying /var/tmp/from_scwrl_2125205677_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_2125205677_b.pdb or /var/tmp/from_scwrl_2125205677_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2125205677_a.pdb or decoys//var/tmp/from_scwrl_2125205677_a.pdb.gz for input Trying /var/tmp/from_scwrl_2125205677_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_2125205677_a.pdb or /var/tmp/from_scwrl_2125205677_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_2125205677.pdb or /var/tmp/from_scwrl_2125205677_b.pdb or /var/tmp/from_scwrl_2125205677_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 T0312 can't currently be optimized by undertaker # naming current conformation nFOLD_TS1 # request to SCWRL produces command: ulimit -t 132 ; scwrl3 -i /var/tmp/to_scwrl_1678319752.pdb -s /var/tmp/to_scwrl_1678319752.seq -o /var/tmp/from_scwrl_1678319752.pdb > /var/tmp/scwrl_1678319752.log sh: /var/tmp/scwrl_1678319752.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1678319752.pdb or /var/tmp/from_scwrl_1678319752.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1678319752_b.pdb or decoys//var/tmp/from_scwrl_1678319752_b.pdb.gz for input Trying /var/tmp/from_scwrl_1678319752_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1678319752_b.pdb or /var/tmp/from_scwrl_1678319752_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1678319752_a.pdb or decoys//var/tmp/from_scwrl_1678319752_a.pdb.gz for input Trying /var/tmp/from_scwrl_1678319752_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1678319752_a.pdb or /var/tmp/from_scwrl_1678319752_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1678319752.pdb or /var/tmp/from_scwrl_1678319752_b.pdb or /var/tmp/from_scwrl_1678319752_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: atom 1 has residue number 1 < previous residue 138 in servers/nFOLD_TS2.pdb.gz # WARNING: incomplete conformation T0312 can't currently be optimized by undertaker # naming current conformation nFOLD_TS2 # request to SCWRL produces command: ulimit -t 132 ; scwrl3 -i /var/tmp/to_scwrl_1747384119.pdb -s /var/tmp/to_scwrl_1747384119.seq -o /var/tmp/from_scwrl_1747384119.pdb > /var/tmp/scwrl_1747384119.log sh: /var/tmp/scwrl_1747384119.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1747384119.pdb or /var/tmp/from_scwrl_1747384119.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1747384119_b.pdb or decoys//var/tmp/from_scwrl_1747384119_b.pdb.gz for input Trying /var/tmp/from_scwrl_1747384119_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1747384119_b.pdb or /var/tmp/from_scwrl_1747384119_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1747384119_a.pdb or decoys//var/tmp/from_scwrl_1747384119_a.pdb.gz for input Trying /var/tmp/from_scwrl_1747384119_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1747384119_a.pdb or /var/tmp/from_scwrl_1747384119_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1747384119.pdb or /var/tmp/from_scwrl_1747384119_b.pdb or /var/tmp/from_scwrl_1747384119_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 T0312 can't currently be optimized by undertaker # naming current conformation nFOLD_TS3 # request to SCWRL produces command: ulimit -t 132 ; scwrl3 -i /var/tmp/to_scwrl_2045273014.pdb -s /var/tmp/to_scwrl_2045273014.seq -o /var/tmp/from_scwrl_2045273014.pdb > /var/tmp/scwrl_2045273014.log sh: /var/tmp/scwrl_2045273014.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_2045273014.pdb or /var/tmp/from_scwrl_2045273014.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2045273014_b.pdb or decoys//var/tmp/from_scwrl_2045273014_b.pdb.gz for input Trying /var/tmp/from_scwrl_2045273014_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_2045273014_b.pdb or /var/tmp/from_scwrl_2045273014_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2045273014_a.pdb or decoys//var/tmp/from_scwrl_2045273014_a.pdb.gz for input Trying /var/tmp/from_scwrl_2045273014_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_2045273014_a.pdb or /var/tmp/from_scwrl_2045273014_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_2045273014.pdb or /var/tmp/from_scwrl_2045273014_b.pdb or /var/tmp/from_scwrl_2045273014_a.pdb Error: no new SCWRL conformation added # naming current conformation nFOLD_TS3-scwrl # ReadConformPDB reading from PDB file servers/nFOLD_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0312 can't currently be optimized by undertaker # naming current conformation nFOLD_TS4 # request to SCWRL produces command: ulimit -t 132 ; scwrl3 -i /var/tmp/to_scwrl_1441864570.pdb -s /var/tmp/to_scwrl_1441864570.seq -o /var/tmp/from_scwrl_1441864570.pdb > /var/tmp/scwrl_1441864570.log sh: /var/tmp/scwrl_1441864570.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1441864570.pdb or /var/tmp/from_scwrl_1441864570.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1441864570_b.pdb or decoys//var/tmp/from_scwrl_1441864570_b.pdb.gz for input Trying /var/tmp/from_scwrl_1441864570_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1441864570_b.pdb or /var/tmp/from_scwrl_1441864570_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1441864570_a.pdb or decoys//var/tmp/from_scwrl_1441864570_a.pdb.gz for input Trying /var/tmp/from_scwrl_1441864570_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1441864570_a.pdb or /var/tmp/from_scwrl_1441864570_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1441864570.pdb or /var/tmp/from_scwrl_1441864570_b.pdb or /var/tmp/from_scwrl_1441864570_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 T0312 can't currently be optimized by undertaker # naming current conformation nFOLD_TS5 # request to SCWRL produces command: ulimit -t 132 ; scwrl3 -i /var/tmp/to_scwrl_1396068489.pdb -s /var/tmp/to_scwrl_1396068489.seq -o /var/tmp/from_scwrl_1396068489.pdb > /var/tmp/scwrl_1396068489.log sh: /var/tmp/scwrl_1396068489.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1396068489.pdb or /var/tmp/from_scwrl_1396068489.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1396068489_b.pdb or decoys//var/tmp/from_scwrl_1396068489_b.pdb.gz for input Trying /var/tmp/from_scwrl_1396068489_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1396068489_b.pdb or /var/tmp/from_scwrl_1396068489_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1396068489_a.pdb or decoys//var/tmp/from_scwrl_1396068489_a.pdb.gz for input Trying /var/tmp/from_scwrl_1396068489_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1396068489_a.pdb or /var/tmp/from_scwrl_1396068489_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1396068489.pdb or /var/tmp/from_scwrl_1396068489_b.pdb or /var/tmp/from_scwrl_1396068489_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 T0312 can't currently be optimized by undertaker # naming current conformation panther2_TS1 # request to SCWRL produces command: ulimit -t 132 ; scwrl3 -i /var/tmp/to_scwrl_841420359.pdb -s /var/tmp/to_scwrl_841420359.seq -o /var/tmp/from_scwrl_841420359.pdb > /var/tmp/scwrl_841420359.log sh: /var/tmp/scwrl_841420359.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_841420359.pdb or /var/tmp/from_scwrl_841420359.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_841420359_b.pdb or decoys//var/tmp/from_scwrl_841420359_b.pdb.gz for input Trying /var/tmp/from_scwrl_841420359_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_841420359_b.pdb or /var/tmp/from_scwrl_841420359_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_841420359_a.pdb or decoys//var/tmp/from_scwrl_841420359_a.pdb.gz for input Trying /var/tmp/from_scwrl_841420359_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_841420359_a.pdb or /var/tmp/from_scwrl_841420359_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_841420359.pdb or /var/tmp/from_scwrl_841420359_b.pdb or /var/tmp/from_scwrl_841420359_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 T0312 can't currently be optimized by undertaker # naming current conformation shub_TS1 # request to SCWRL produces command: ulimit -t 132 ; scwrl3 -i /var/tmp/to_scwrl_881441977.pdb -s /var/tmp/to_scwrl_881441977.seq -o /var/tmp/from_scwrl_881441977.pdb > /var/tmp/scwrl_881441977.log sh: /var/tmp/scwrl_881441977.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_881441977.pdb or /var/tmp/from_scwrl_881441977.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_881441977_b.pdb or decoys//var/tmp/from_scwrl_881441977_b.pdb.gz for input Trying /var/tmp/from_scwrl_881441977_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_881441977_b.pdb or /var/tmp/from_scwrl_881441977_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_881441977_a.pdb or decoys//var/tmp/from_scwrl_881441977_a.pdb.gz for input Trying /var/tmp/from_scwrl_881441977_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_881441977_a.pdb or /var/tmp/from_scwrl_881441977_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_881441977.pdb or /var/tmp/from_scwrl_881441977_b.pdb or /var/tmp/from_scwrl_881441977_a.pdb Error: no new SCWRL conformation added # naming current conformation shub_TS1-scwrl # command:CPU_time= 32.752 sec, elapsed time= 42.379 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 107.567 real_cost = 376.230 panther2_TS1-scwrl costs 116.996 real_cost = 507.122 nFOLD_TS5-scwrl costs 112.154 real_cost = 436.583 nFOLD_TS4-scwrl costs 112.154 real_cost = 436.583 nFOLD_TS3-scwrl costs 111.614 real_cost = 437.480 nFOLD_TS2-scwrl costs 116.679 real_cost = 504.008 nFOLD_TS1-scwrl costs 112.154 real_cost = 436.583 mGen-3D_TS1-scwrl costs 96.060 real_cost = 383.000 keasar-server_TS5-scwrl costs 137.695 real_cost = 270.035 keasar-server_TS4-scwrl costs 119.315 real_cost = 143.174 keasar-server_TS3-scwrl costs 127.691 real_cost = 315.498 keasar-server_TS2-scwrl costs 118.704 real_cost = 195.217 keasar-server_TS1-scwrl costs 128.581 real_cost = 150.524 karypis.srv_TS5-scwrl costs 106.625 real_cost = 381.867 karypis.srv_TS4-scwrl costs 109.271 real_cost = 400.815 karypis.srv_TS3-scwrl costs 98.630 real_cost = 344.848 karypis.srv_TS2-scwrl costs 89.664 real_cost = 329.892 karypis.srv_TS1-scwrl costs 82.655 real_cost = 333.786 karypis.srv.4_TS5-scwrl costs 166.601 real_cost = 299.422 karypis.srv.4_TS4-scwrl costs 154.365 real_cost = 323.324 karypis.srv.4_TS3-scwrl costs 152.332 real_cost = 336.335 karypis.srv.4_TS2-scwrl costs 148.432 real_cost = 359.667 karypis.srv.4_TS1-scwrl costs 142.262 real_cost = 299.986 karypis.srv.2_TS5-scwrl costs 89.998 real_cost = 334.148 karypis.srv.2_TS4-scwrl costs 108.064 real_cost = 357.572 karypis.srv.2_TS3-scwrl costs 88.904 real_cost = 260.097 karypis.srv.2_TS2-scwrl costs 96.193 real_cost = 295.645 karypis.srv.2_TS1-scwrl costs 78.434 real_cost = 292.758 forecast-s_AL5-scwrl costs 124.225 real_cost = 451.705 forecast-s_AL4-scwrl costs 123.063 real_cost = 531.895 forecast-s_AL3-scwrl costs 112.262 real_cost = 479.951 forecast-s_AL2-scwrl costs 127.716 real_cost = 483.251 forecast-s_AL1-scwrl costs 135.520 real_cost = 519.805 beautshotbase_TS1-scwrl costs 99.549 real_cost = 379.256 beautshot_TS1-scwrl costs 114.706 real_cost = 382.039 Zhang-Server_TS5-scwrl costs 82.284 real_cost = 120.465 Zhang-Server_TS4-scwrl costs 108.220 real_cost = 254.089 Zhang-Server_TS3-scwrl costs 109.512 real_cost = 270.934 Zhang-Server_TS2-scwrl costs 101.133 real_cost = 229.282 Zhang-Server_TS1-scwrl costs 101.471 real_cost = 222.169 UNI-EID_sfst_AL1-scwrl costs 94.098 real_cost = 265.184 UNI-EID_expm_TS1-scwrl costs 110.469 real_cost = 243.584 UNI-EID_bnmx_TS1-scwrl costs 100.241 real_cost = 178.098 SPARKS2_TS5-scwrl costs 97.238 real_cost = 293.720 SPARKS2_TS4-scwrl costs 83.998 real_cost = 315.780 SPARKS2_TS3-scwrl costs 99.214 real_cost = 342.819 SPARKS2_TS2-scwrl costs 106.538 real_cost = 289.938 SPARKS2_TS1-scwrl costs 121.058 real_cost = 308.808 SP4_TS5-scwrl costs 93.323 real_cost = 304.835 SP4_TS4-scwrl costs 94.255 real_cost = 288.066 SP4_TS3-scwrl costs 85.660 real_cost = 154.881 SP4_TS2-scwrl costs 74.486 real_cost = 282.711 SP4_TS1-scwrl costs 86.982 real_cost = 309.636 SP3_TS5-scwrl costs 85.908 real_cost = 330.159 SP3_TS4-scwrl costs 93.697 real_cost = 331.267 SP3_TS3-scwrl costs 88.301 real_cost = 303.828 SP3_TS2-scwrl costs 98.612 real_cost = 337.020 SP3_TS1-scwrl costs 106.676 real_cost = 284.319 SAM_T06_server_TS5-scwrl costs 87.924 real_cost = 406.286 SAM_T06_server_TS4-scwrl costs 93.458 real_cost = 410.729 SAM_T06_server_TS3-scwrl costs 91.242 real_cost = 407.615 SAM_T06_server_TS2-scwrl costs 91.607 real_cost = 123.882 SAM_T06_server_TS1-scwrl costs 78.996 real_cost = 52.464 SAM-T02_AL4-scwrl costs 107.925 real_cost = 354.536 SAM-T02_AL3-scwrl costs 109.975 real_cost = 523.434 SAM-T02_AL2-scwrl costs 109.795 real_cost = 521.213 SAM-T02_AL1-scwrl costs 98.770 real_cost = 299.294 ROKKY_TS5-scwrl costs 75.764 real_cost = 411.190 ROKKY_TS4-scwrl costs 73.960 real_cost = 424.949 ROKKY_TS3-scwrl costs 74.089 real_cost = 397.566 ROKKY_TS2-scwrl costs 81.256 real_cost = 397.888 ROKKY_TS1-scwrl costs 84.144 real_cost = 405.335 ROBETTA_TS5-scwrl costs 75.883 real_cost = 165.181 ROBETTA_TS4-scwrl costs 57.558 real_cost = 269.027 ROBETTA_TS3-scwrl costs 82.085 real_cost = 106.916 ROBETTA_TS2-scwrl costs 59.566 real_cost = 264.251 ROBETTA_TS1-scwrl costs 77.138 real_cost = 97.120 RAPTOR_TS5-scwrl costs 79.673 real_cost = 219.998 RAPTOR_TS4-scwrl costs 83.808 real_cost = 306.600 RAPTOR_TS3-scwrl costs 73.690 real_cost = 301.568 RAPTOR_TS2-scwrl costs 83.122 real_cost = 255.974 RAPTOR_TS1-scwrl costs 94.961 real_cost = 286.640 RAPTORESS_TS5-scwrl costs 84.868 real_cost = 243.884 RAPTORESS_TS4-scwrl costs 88.004 real_cost = 301.029 RAPTORESS_TS3-scwrl costs 86.804 real_cost = 307.685 RAPTORESS_TS2-scwrl costs 94.936 real_cost = 256.545 RAPTORESS_TS1-scwrl costs 101.033 real_cost = 274.818 RAPTOR-ACE_TS5-scwrl costs 102.570 real_cost = 332.582 RAPTOR-ACE_TS4-scwrl costs 96.163 real_cost = 316.047 RAPTOR-ACE_TS3-scwrl costs 85.644 real_cost = 291.711 RAPTOR-ACE_TS2-scwrl costs 102.998 real_cost = 350.570 RAPTOR-ACE_TS1-scwrl costs 81.511 real_cost = 294.245 Pmodeller6_TS5-scwrl costs 76.047 real_cost = 120.608 Pmodeller6_TS4-scwrl costs 72.345 real_cost = 142.810 Pmodeller6_TS3-scwrl costs 69.184 real_cost = 119.205 Pmodeller6_TS2-scwrl costs 75.883 real_cost = 165.181 Pmodeller6_TS1-scwrl costs 77.138 real_cost = 97.120 Phyre-1_TS1-scwrl costs 96.460 real_cost = 211.957 Pcons6_TS5-scwrl costs 69.184 real_cost = 119.205 Pcons6_TS4-scwrl costs 105.660 real_cost = 188.114 Pcons6_TS3-scwrl costs 77.138 real_cost = 97.120 Pcons6_TS2-scwrl costs 77.248 real_cost = 145.983 Pcons6_TS1-scwrl costs 76.047 real_cost = 120.608 PROTINFO_TS5-scwrl costs 124.977 real_cost = 339.382 PROTINFO_TS4-scwrl costs 89.755 real_cost = 268.297 PROTINFO_TS3-scwrl costs 80.559 real_cost = 402.498 PROTINFO_TS2-scwrl costs 97.015 real_cost = 266.017 PROTINFO_TS1-scwrl costs 105.846 real_cost = 252.784 PROTINFO-AB_TS5-scwrl costs 91.378 real_cost = 257.818 PROTINFO-AB_TS4-scwrl costs 97.952 real_cost = 257.963 PROTINFO-AB_TS3-scwrl costs 92.187 real_cost = 256.637 PROTINFO-AB_TS2-scwrl costs 97.015 real_cost = 266.017 PROTINFO-AB_TS1-scwrl costs 93.968 real_cost = 254.995 POMYSL_TS5-scwrl costs 104.963 real_cost = 302.296 POMYSL_TS4-scwrl costs 114.402 real_cost = 340.647 POMYSL_TS3-scwrl costs 117.615 real_cost = 302.894 POMYSL_TS2-scwrl costs 119.741 real_cost = 313.107 POMYSL_TS1-scwrl costs 121.598 real_cost = 347.708 NN_PUT_lab_TS1-scwrl costs 88.508 real_cost = 300.947 MetaTasser_TS5-scwrl costs 131.418 real_cost = 240.892 MetaTasser_TS4-scwrl costs 126.276 real_cost = 261.166 MetaTasser_TS3-scwrl costs 133.433 real_cost = 288.823 MetaTasser_TS2-scwrl costs 122.202 real_cost = 237.210 MetaTasser_TS1-scwrl costs 123.884 real_cost = 260.291 Ma-OPUS-server_TS5-scwrl costs 88.032 real_cost = 317.011 Ma-OPUS-server_TS4-scwrl costs 119.306 real_cost = 347.940 Ma-OPUS-server_TS3-scwrl costs 77.299 real_cost = 125.909 Ma-OPUS-server_TS2-scwrl costs 121.365 real_cost = 323.661 Ma-OPUS-server_TS1-scwrl costs 83.142 real_cost = 273.867 LOOPP_TS5-scwrl costs 100.705 real_cost = 333.289 LOOPP_TS4-scwrl costs 88.653 real_cost = 331.917 LOOPP_TS3-scwrl costs 99.509 real_cost = 293.354 LOOPP_TS2-scwrl costs 104.043 real_cost = 343.725 LOOPP_TS1-scwrl costs 88.508 real_cost = 300.947 Huber-Torda-Server_TS5-scwrl costs 110.817 real_cost = 908.466 Huber-Torda-Server_TS4-scwrl costs 98.177 real_cost = 460.494 Huber-Torda-Server_TS3-scwrl costs 99.835 real_cost = 456.402 Huber-Torda-Server_TS2-scwrl costs 110.228 real_cost = 450.030 Huber-Torda-Server_TS1-scwrl costs 121.593 real_cost = 415.803 HHpred3_TS1-scwrl costs 108.994 real_cost = 345.668 HHpred2_TS1-scwrl costs 84.462 real_cost = 136.066 HHpred1_TS1-scwrl costs 105.413 real_cost = 356.632 GeneSilicoMetaServer_TS5-scwrl costs 104.379 real_cost = 314.908 GeneSilicoMetaServer_TS4-scwrl costs 98.255 real_cost = 286.624 GeneSilicoMetaServer_TS3-scwrl costs 111.727 real_cost = 292.632 FUNCTION_TS5-scwrl costs 109.403 real_cost = 293.925 FUNCTION_TS4-scwrl costs 122.753 real_cost = 305.617 FUNCTION_TS3-scwrl costs 113.455 real_cost = 304.090 FUNCTION_TS2-scwrl costs 123.710 real_cost = 303.354 FUNCTION_TS1-scwrl costs 111.205 real_cost = 302.671 FUGUE_AL5-scwrl costs 114.255 real_cost = 465.220 FUGUE_AL4-scwrl costs 119.640 real_cost = 437.299 FUGUE_AL3-scwrl costs 112.233 real_cost = 504.654 FUGUE_AL2-scwrl costs 121.499 real_cost = 512.230 FUGUE_AL1-scwrl costs 114.027 real_cost = 484.098 FUGMOD_TS5-scwrl costs 96.287 real_cost = 326.291 FUGMOD_TS4-scwrl costs 109.387 real_cost = 314.202 FUGMOD_TS3-scwrl costs 99.878 real_cost = 435.544 FUGMOD_TS2-scwrl costs 109.744 real_cost = 370.158 FUGMOD_TS1-scwrl costs 107.914 real_cost = 367.815 FPSOLVER-SERVER_TS5-scwrl costs 127.489 real_cost = 337.080 FPSOLVER-SERVER_TS4-scwrl costs 134.966 real_cost = 325.331 FPSOLVER-SERVER_TS3-scwrl costs 134.963 real_cost = 343.258 FPSOLVER-SERVER_TS2-scwrl costs 133.211 real_cost = 335.224 FPSOLVER-SERVER_TS1-scwrl costs 125.441 real_cost = 344.917 FORTE2_AL5-scwrl costs 115.451 real_cost = 457.221 FORTE2_AL4-scwrl costs 123.311 real_cost = 416.796 FORTE2_AL3-scwrl costs 123.874 real_cost = 424.469 FORTE2_AL2-scwrl costs 110.581 real_cost = 410.069 FORTE2_AL1-scwrl costs 96.178 real_cost = 303.773 FORTE1_AL5-scwrl costs 143.033 real_cost = 497.408 FORTE1_AL4-scwrl costs 123.571 real_cost = 447.186 FORTE1_AL3-scwrl costs 115.451 real_cost = 457.221 FORTE1_AL2-scwrl costs 96.178 real_cost = 303.773 FORTE1_AL1-scwrl costs 124.083 real_cost = 418.180 FOLDpro_TS5-scwrl costs 83.766 real_cost = 274.216 FOLDpro_TS4-scwrl costs 113.393 real_cost = 348.125 FOLDpro_TS3-scwrl costs 108.248 real_cost = 303.246 FOLDpro_TS2-scwrl costs 110.379 real_cost = 349.134 FOLDpro_TS1-scwrl costs 103.176 real_cost = 242.117 FAMS_TS5-scwrl costs 90.088 real_cost = 159.875 FAMS_TS4-scwrl costs 111.205 real_cost = 302.671 FAMS_TS3-scwrl costs 114.477 real_cost = 192.499 FAMS_TS2-scwrl costs 126.677 real_cost = 375.582 FAMS_TS1-scwrl costs 114.477 real_cost = 192.499 FAMSD_TS5-scwrl costs 112.395 real_cost = 405.847 FAMSD_TS4-scwrl costs 98.869 real_cost = 429.422 FAMSD_TS3-scwrl costs 115.663 real_cost = 485.776 FAMSD_TS2-scwrl costs 114.477 real_cost = 192.499 FAMSD_TS1-scwrl costs 89.185 real_cost = 145.418 Distill_TS5-scwrl costs 234.568 real_cost = 433.565 Distill_TS4-scwrl costs 231.023 real_cost = 430.963 Distill_TS3-scwrl costs 231.466 real_cost = 428.141 Distill_TS2-scwrl costs 231.686 real_cost = 431.935 Distill_TS1-scwrl costs 229.873 real_cost = 426.196 CaspIta-FOX_TS5-scwrl costs 90.208 real_cost = 306.825 CaspIta-FOX_TS4-scwrl costs 114.487 real_cost = 386.743 CaspIta-FOX_TS3-scwrl costs 111.410 real_cost = 413.604 CaspIta-FOX_TS2-scwrl costs 123.065 real_cost = 371.179 CaspIta-FOX_TS1-scwrl costs 100.628 real_cost = 153.312 CIRCLE_TS5-scwrl costs 78.223 real_cost = 265.839 CIRCLE_TS4-scwrl costs 114.477 real_cost = 192.499 CIRCLE_TS3-scwrl costs 90.088 real_cost = 159.875 CIRCLE_TS2-scwrl costs 100.821 real_cost = 199.064 CIRCLE_TS1-scwrl costs 84.749 real_cost = 264.434 Bilab-ENABLE_TS5-scwrl costs 78.548 real_cost = 292.616 Bilab-ENABLE_TS4-scwrl costs 81.162 real_cost = 272.539 Bilab-ENABLE_TS3-scwrl costs 78.197 real_cost = 297.184 Bilab-ENABLE_TS2-scwrl costs 84.636 real_cost = 297.446 Bilab-ENABLE_TS1-scwrl costs 77.281 real_cost = 287.511 BayesHH_TS1-scwrl costs 119.812 real_cost = 388.835 ABIpro_TS5-scwrl costs 88.526 real_cost = 297.327 ABIpro_TS4-scwrl costs 99.931 real_cost = 256.249 ABIpro_TS3-scwrl costs 112.057 real_cost = 272.933 ABIpro_TS2-scwrl costs 106.803 real_cost = 322.898 ABIpro_TS1-scwrl costs 92.004 real_cost = 278.171 3Dpro_TS5-scwrl costs 93.555 real_cost = 276.037 3Dpro_TS4-scwrl costs 106.803 real_cost = 322.898 3Dpro_TS3-scwrl costs 92.004 real_cost = 278.171 3Dpro_TS2-scwrl costs 112.060 real_cost = 305.704 3Dpro_TS1-scwrl costs 108.248 real_cost = 303.246 3D-JIGSAW_TS5-scwrl costs 108.544 real_cost = 371.912 3D-JIGSAW_TS4-scwrl costs 122.889 real_cost = 350.744 3D-JIGSAW_TS3-scwrl costs 111.957 real_cost = 311.455 3D-JIGSAW_TS2-scwrl costs 116.640 real_cost = 346.534 3D-JIGSAW_TS1-scwrl costs 128.527 real_cost = 377.601 3D-JIGSAW_RECOM_TS5-scwrl costs 104.853 real_cost = 359.945 3D-JIGSAW_RECOM_TS4-scwrl costs 108.830 real_cost = 361.582 3D-JIGSAW_RECOM_TS3-scwrl costs 104.138 real_cost = 353.712 3D-JIGSAW_RECOM_TS2-scwrl costs 117.858 real_cost = 396.219 3D-JIGSAW_RECOM_TS1-scwrl costs 120.102 real_cost = 424.178 3D-JIGSAW_POPULUS_TS5-scwrl costs 99.243 real_cost = 360.400 3D-JIGSAW_POPULUS_TS4-scwrl costs 98.061 real_cost = 361.800 3D-JIGSAW_POPULUS_TS3-scwrl costs 102.382 real_cost = 361.246 3D-JIGSAW_POPULUS_TS2-scwrl costs 95.087 real_cost = 363.325 3D-JIGSAW_POPULUS_TS1-scwrl costs 92.287 real_cost = 325.652 scrambled-loop.pdb.gz costs 84.603 real_cost = 117.687 chimera-try9-try4.pdb.gz costs 96.042 real_cost = 114.671 T0312.try9-opt2.repack-nonPC.pdb.gz costs 85.219 real_cost = 91.899 T0312.try9-opt2.pdb.gz costs 85.219 real_cost = 93.633 T0312.try9-opt2.gromacs0.pdb.gz costs 70.825 real_cost = 96.177 T0312.try9-opt1.pdb.gz costs 82.320 real_cost = 92.576 T0312.try9-opt1-scwrl.pdb.gz costs 82.320 real_cost = 90.015 T0312.try8-opt2.repack-nonPC.pdb.gz costs 90.709 real_cost = 126.299 T0312.try8-opt2.pdb.gz costs 90.709 real_cost = 126.220 T0312.try8-opt2.gromacs0.pdb.gz costs 79.378 real_cost = 123.353 T0312.try8-opt1.pdb.gz costs 85.246 real_cost = 127.756 T0312.try8-opt1-scwrl.pdb.gz costs 85.246 real_cost = 128.254 T0312.try7-opt2.repack-nonPC.pdb.gz costs 82.028 real_cost = 83.628 T0312.try7-opt2.pdb.gz costs 82.028 real_cost = 88.587 T0312.try7-opt2.gromacs0.pdb.gz costs 65.969 real_cost = 88.259 T0312.try7-opt1.pdb.gz costs 75.460 real_cost = 92.424 T0312.try7-opt1-scwrl.pdb.gz costs 75.460 real_cost = 87.972 T0312.try6-opt2.repack-nonPC.pdb.gz costs 100.553 real_cost = 96.614 T0312.try6-opt2.pdb.gz costs 100.553 real_cost = 98.100 T0312.try6-opt2.gromacs0.pdb.gz costs 84.546 real_cost = 99.106 T0312.try6-opt1.pdb.gz costs 96.373 real_cost = 93.610 T0312.try6-opt1-scwrl.pdb.gz costs 96.373 real_cost = 90.922 T0312.try5-opt2.repack-nonPC.pdb.gz costs 105.146 real_cost = 50.893 T0312.try5-opt2.pdb.gz costs 105.146 real_cost = 54.968 T0312.try5-opt2.gromacs0.pdb.gz costs 92.341 real_cost = 59.170 T0312.try5-opt1.pdb.gz costs 100.649 real_cost = 58.141 T0312.try5-opt1-scwrl.pdb.gz costs 100.649 real_cost = 53.642 T0312.try4-opt2.repack-nonPC.pdb.gz costs 122.039 real_cost = 126.791 T0312.try4-opt2.pdb.gz costs 122.039 real_cost = 132.705 T0312.try4-opt2.gromacs0.repack-nonPC.pdb.gz costs 102.976 real_cost = 127.492 T0312.try4-opt2.gromacs0.pdb.gz costs 102.976 real_cost = 130.281 T0312.try4-opt1.pdb.gz costs 120.347 real_cost = 133.274 T0312.try4-opt1-scwrl.pdb.gz costs 120.347 real_cost = 133.394 T0312.try3-opt2.repack-nonPC.pdb.gz costs 119.673 real_cost = 128.009 T0312.try3-opt2.pdb.gz costs 119.673 real_cost = 131.727 T0312.try3-opt2.gromacs0.pdb.gz costs 101.535 real_cost = 130.987 T0312.try3-opt1.pdb.gz costs 106.012 real_cost = 132.994 T0312.try3-opt1-scwrl.pdb.gz costs 106.012 real_cost = 133.278 T0312.try2-opt2.repack-nonPC.pdb.gz costs 103.989 real_cost = 118.447 T0312.try2-opt2.pdb.gz costs 103.989 real_cost = 119.763 T0312.try2-opt2.gromacs0.pdb.gz costs 88.257 real_cost = 115.969 T0312.try2-opt1.pdb.gz costs 94.153 real_cost = 119.249 T0312.try2-opt1-scwrl.pdb.gz costs 94.153 real_cost = 119.244 T0312.try18-opt2.repack-nonPC.pdb.gz costs 89.678 real_cost = 119.542 T0312.try18-opt2.pdb.gz costs 89.678 real_cost = 121.328 T0312.try18-opt2.gromacs0.repack-nonPC.pdb.gz costs 81.140 real_cost = 120.895 T0312.try18-opt2.gromacs0.pdb.gz costs 81.140 real_cost = 121.630 T0312.try18-opt1.pdb.gz costs 86.841 real_cost = 121.529 T0312.try18-opt1-scwrl.pdb.gz costs 86.841 real_cost = 120.999 T0312.try17-opt2.repack-nonPC.pdb.gz costs 95.194 real_cost = 120.823 T0312.try17-opt2.pdb.gz costs 95.194 real_cost = 122.662 T0312.try17-opt2.gromacs0.repack-nonPC.pdb.gz costs 80.022 real_cost = 122.411 T0312.try17-opt2.gromacs0.pdb.gz costs 80.022 real_cost = 124.237 T0312.try17-opt1.pdb.gz costs 93.312 real_cost = 121.571 T0312.try17-opt1-scwrl.pdb.gz costs 93.312 real_cost = 122.343 T0312.try16-opt2.repack-nonPC.pdb.gz costs 101.932 real_cost = 121.459 T0312.try16-opt2.pdb.gz costs 101.932 real_cost = 123.161 T0312.try16-opt2.gromacs0.repack-nonPC.pdb.gz costs 80.986 real_cost = 121.383 T0312.try16-opt2.gromacs0.pdb.gz costs 80.986 real_cost = 124.541 T0312.try16-opt1.pdb.gz costs 97.018 real_cost = 120.016 T0312.try16-opt1-scwrl.pdb.gz costs 97.018 real_cost = 118.437 T0312.try15-opt2.repack-nonPC.pdb.gz costs 93.510 real_cost = 115.288 T0312.try15-opt2.pdb.gz costs 93.510 real_cost = 117.837 T0312.try15-opt2.gromacs0.repack-nonPC.pdb.gz costs 81.424 real_cost = 115.232 T0312.try15-opt2.gromacs0.pdb.gz costs 81.424 real_cost = 118.629 T0312.try15-opt1.pdb.gz costs 93.169 real_cost = 118.112 T0312.try15-opt1-scwrl.pdb.gz costs 93.169 real_cost = 116.264 T0312.try14-opt2.repack-nonPC.pdb.gz costs 92.461 real_cost = 151.530 T0312.try14-opt2.pdb.gz costs 92.461 real_cost = 150.524 T0312.try14-opt2.gromacs0.repack-nonPC.pdb.gz costs 83.305 real_cost = 146.442 T0312.try14-opt2.gromacs0.pdb.gz costs 83.305 real_cost = 147.556 T0312.try14-opt1.pdb.gz costs 83.491 real_cost = 154.141 T0312.try14-opt1-scwrl.pdb.gz costs 83.491 real_cost = 155.549 T0312.try13-opt2.repack-nonPC.pdb.gz costs 93.178 real_cost = 115.125 T0312.try13-opt2.pdb.gz costs 93.178 real_cost = 118.148 T0312.try13-opt2.gromacs0.repack-nonPC.pdb.gz costs 82.731 real_cost = 114.780 T0312.try13-opt2.gromacs0.pdb.gz costs 82.731 real_cost = 118.864 T0312.try13-opt1.pdb.gz costs 92.244 real_cost = 119.020 T0312.try13-opt1-scwrl.pdb.gz costs 92.244 real_cost = 115.622 T0312.try12-opt2.repack-nonPC.pdb.gz costs 104.150 real_cost = 49.939 T0312.try12-opt2.pdb.gz costs 104.150 real_cost = 47.640 T0312.try12-opt2.gromacs0.pdb.gz costs 85.542 real_cost = 54.103 T0312.try12-opt1.pdb.gz costs 96.294 real_cost = 53.609 T0312.try12-opt1-scwrl.pdb.gz costs 96.294 real_cost = 52.371 T0312.try11-opt2.repack-nonPC.pdb.gz costs 92.458 real_cost = 115.975 T0312.try11-opt2.pdb.gz costs 92.458 real_cost = 119.454 T0312.try11-opt2.gromacs0.repack-nonPC.pdb.gz costs 82.652 real_cost = 117.475 T0312.try11-opt2.gromacs0.pdb.gz costs 82.652 real_cost = 119.842 T0312.try11-opt1.pdb.gz costs 93.403 real_cost = 120.094 T0312.try11-opt1-scwrl.pdb.gz costs 93.403 real_cost = 116.835 T0312.try10-opt2.repack-nonPC.pdb.gz costs 94.515 real_cost = 116.437 T0312.try10-opt2.pdb.gz costs 94.515 real_cost = 118.681 T0312.try10-opt2.gromacs0.repack-nonPC.pdb.gz costs 84.121 real_cost = 119.764 T0312.try10-opt2.gromacs0.pdb.gz costs 84.121 real_cost = 121.924 T0312.try10-opt1.pdb.gz costs 95.388 real_cost = 117.747 T0312.try10-opt1-scwrl.pdb.gz costs 95.388 real_cost = 113.667 T0312.try1-opt2.repack-nonPC.pdb.gz costs 107.040 real_cost = 146.693 T0312.try1-opt2.pdb.gz costs 107.040 real_cost = 147.608 T0312.try1-opt2.gromacs0.pdb.gz costs 94.688 real_cost = 143.977 T0312.try1-opt1.pdb.gz costs 98.854 real_cost = 145.848 T0312.try1-opt1-scwrl.pdb.gz costs 98.854 real_cost = 144.526 ../model5.ts-submitted costs 122.532 real_cost = 132.715 ../model4.ts-submitted costs 90.709 real_cost = 126.186 ../model3.ts-submitted costs 85.219 real_cost = 93.792 ../model2.ts-submitted costs 93.178 real_cost = 117.940 ../model1.ts-submitted costs 81.140 real_cost = 120.896 align5 costs 90.061 real_cost = 394.113 align4 costs 90.554 real_cost = 373.660 align3 costs 89.554 real_cost = 421.581 align2 costs 97.293 real_cost = 394.971 align1 costs 91.624 real_cost = 149.452 T0312.try1-opt2.pdb costs 107.040 real_cost = 147.608 model5-scwrl costs 122.532 real_cost = 132.715 model4-scwrl costs 90.709 real_cost = 126.186 model3-scwrl costs 85.219 real_cost = 93.792 model2-scwrl costs 93.178 real_cost = 117.940 model1-scwrl costs 81.140 real_cost = 120.896 2h6lA costs 45.978 real_cost = -883.000 # command:CPU_time= 306.819 sec, elapsed time= 316.753 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/T0312'