make[1]: Entering directory `/projects/compbio/experiments/protein-predict/casp7/T0358' /projects/compbio/experiments/protein-predict/casp7/starter-directory/Make.main:725: SECONDARY_TARGET = T0358.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/T0358.} ;\ 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/T0358/ -e s/START_COL/1/ \ -e s/COSTFCN/anglevector/ \ -e s/_domain// \ -e s/read-pdb/read-pdb+servers/ \ -e s/REAL_PDB/2hjjA/ \ < /projects/compbio/experiments/protein-predict/casp7/starter-directory/evaluate.under \ | nice -2 /cse/grads/jarchie/projects/cvs/karplus/undertaker/undertaker # command:# Seed set to 1182883469 # 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= 9.381 sec, elapsed time= 9.521 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= 9.495 sec, elapsed time= 9.661 sec. # command:# Prefix for input files set to # command:# Making conformation for sequence T0358 numbered 1 through 87 Created new target T0358 from T0358.a2m # command:# command:# No conformations to remove in PopConform # command:# cleared Id set # command:# command:2hjjA expands to /projects/compbio/data/pdb/2hjj.pdb.gz 2hjjA: Read 66 residues and 537 atoms. # WARNING: incomplete conformation T0358 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= 13.515 sec, elapsed time= 13.795 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 60 # 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 = -36.364 # GDT_score(maxd=8.000,maxw=2.900)= -35.431 # GDT_score(maxd=8.000,maxw=3.200)= -33.388 # GDT_score(maxd=8.000,maxw=3.500)= -31.695 # GDT_score(maxd=10.000,maxw=3.800)= -35.434 # GDT_score(maxd=10.000,maxw=4.000)= -34.314 # GDT_score(maxd=10.000,maxw=4.200)= -33.257 # GDT_score(maxd=12.000,maxw=4.300)= -37.031 # GDT_score(maxd=12.000,maxw=4.500)= -35.924 # GDT_score(maxd=12.000,maxw=4.700)= -34.911 # GDT_score(maxd=14.000,maxw=5.200)= -35.850 # GDT_score(maxd=14.000,maxw=5.500)= -34.556 # command:# Prefix for output files set to # command:Warning: Couldn't open file T0358.model1-real.pdb for output Error: Couldn't open file T0358.model1-real.pdb for output superimposing iter= 0 total_weight= 801 rmsd (weighted)= 10.827 (unweighted)= 14.4743 superimposing iter= 1 total_weight= 1579.07 rmsd (weighted)= 5.88873 (unweighted)= 14.7401 superimposing iter= 2 total_weight= 849.539 rmsd (weighted)= 4.51886 (unweighted)= 14.9826 superimposing iter= 3 total_weight= 674.55 rmsd (weighted)= 3.96896 (unweighted)= 15.0911 superimposing iter= 4 total_weight= 604.159 rmsd (weighted)= 3.70465 (unweighted)= 15.1308 superimposing iter= 5 total_weight= 572.108 rmsd (weighted)= 3.55902 (unweighted)= 15.1451 EXPDTA model1.ts-submitted MODEL 1 REMARK 44 REMARK 44 model 1 is called model1.ts-submitted ATOM 1 N MET A 1 3.355 -5.294 -8.935 1.00 0.00 ATOM 2 CA MET A 1 3.144 -5.250 -10.384 1.00 0.00 ATOM 3 CB MET A 1 3.040 -6.733 -10.934 1.00 0.00 ATOM 4 CG MET A 1 2.901 -6.880 -12.469 1.00 0.00 ATOM 5 SD MET A 1 2.450 -8.529 -13.113 1.00 0.00 ATOM 6 CE MET A 1 0.807 -8.829 -12.327 1.00 0.00 ATOM 7 O MET A 1 1.097 -3.996 -10.130 1.00 0.00 ATOM 8 C MET A 1 2.093 -4.223 -10.823 1.00 0.00 ATOM 9 N THR A 2 2.308 -3.669 -11.979 1.00 0.00 ATOM 10 CA THR A 2 1.356 -2.676 -12.460 1.00 0.00 ATOM 11 CB THR A 2 1.872 -2.080 -13.777 1.00 0.00 ATOM 12 CG2 THR A 2 0.875 -1.107 -14.385 1.00 0.00 ATOM 13 OG1 THR A 2 3.079 -1.354 -13.522 1.00 0.00 ATOM 14 O THR A 2 -1.023 -2.899 -12.173 1.00 0.00 ATOM 15 C THR A 2 0.012 -3.354 -12.652 1.00 0.00 ATOM 16 N GLN A 3 -0.012 -4.514 -13.294 1.00 0.00 ATOM 17 CA GLN A 3 -1.268 -5.206 -13.535 1.00 0.00 ATOM 18 CB GLN A 3 -1.078 -6.516 -14.224 1.00 0.00 ATOM 19 CG GLN A 3 -0.851 -6.351 -15.725 1.00 0.00 ATOM 20 CD GLN A 3 -0.070 -7.499 -16.347 1.00 0.00 ATOM 21 OE1 GLN A 3 -0.401 -8.667 -16.166 1.00 0.00 ATOM 22 NE2 GLN A 3 0.973 -7.161 -17.095 1.00 0.00 ATOM 23 O GLN A 3 -3.088 -5.502 -12.004 1.00 0.00 ATOM 24 C GLN A 3 -1.890 -5.668 -12.219 1.00 0.00 ATOM 25 N SER A 4 -1.074 -6.202 -11.312 1.00 0.00 ATOM 26 CA SER A 4 -1.584 -6.668 -10.027 1.00 0.00 ATOM 27 CB SER A 4 -0.473 -7.346 -9.225 1.00 0.00 ATOM 28 OG SER A 4 0.517 -6.408 -8.830 1.00 0.00 ATOM 29 O SER A 4 -2.786 -5.757 -8.146 1.00 0.00 ATOM 30 C SER A 4 -2.102 -5.522 -9.141 1.00 0.00 ATOM 31 N VAL A 5 -1.699 -4.293 -9.459 1.00 0.00 ATOM 32 CA VAL A 5 -2.122 -3.125 -8.696 1.00 0.00 ATOM 33 CB VAL A 5 -0.939 -2.146 -8.408 1.00 0.00 ATOM 34 CG1 VAL A 5 0.125 -2.823 -7.559 1.00 0.00 ATOM 35 CG2 VAL A 5 -0.352 -1.661 -9.726 1.00 0.00 ATOM 36 O VAL A 5 -3.914 -1.509 -8.859 1.00 0.00 ATOM 37 C VAL A 5 -3.300 -2.437 -9.384 1.00 0.00 ATOM 38 N LEU A 6 -3.663 -2.895 -10.690 1.00 0.00 ATOM 39 CA LEU A 6 -4.810 -2.351 -11.417 1.00 0.00 ATOM 40 CB LEU A 6 -5.844 -1.787 -10.441 1.00 0.00 ATOM 41 CG LEU A 6 -6.508 -2.796 -9.500 1.00 0.00 ATOM 42 CD1 LEU A 6 -7.405 -2.084 -8.496 1.00 0.00 ATOM 43 CD2 LEU A 6 -7.361 -3.782 -10.282 1.00 0.00 ATOM 44 O LEU A 6 -5.341 -0.524 -12.902 1.00 0.00 ATOM 45 C LEU A 6 -4.474 -1.286 -12.465 1.00 0.00 ATOM 46 N LEU A 7 -3.206 -1.247 -12.860 1.00 0.00 ATOM 47 CA LEU A 7 -2.712 -0.321 -13.875 1.00 0.00 ATOM 48 CB LEU A 7 -3.350 -0.537 -15.246 1.00 0.00 ATOM 49 CG LEU A 7 -3.103 -1.896 -15.905 1.00 0.00 ATOM 50 CD1 LEU A 7 -3.890 -2.017 -17.202 1.00 0.00 ATOM 51 CD2 LEU A 7 -1.628 -2.080 -16.225 1.00 0.00 ATOM 52 O LEU A 7 -3.894 1.760 -14.061 1.00 0.00 ATOM 53 C LEU A 7 -3.003 1.125 -13.493 1.00 0.00 ATOM 54 N PRO A 8 -2.268 1.677 -12.529 1.00 0.00 ATOM 55 CA PRO A 8 -2.473 3.057 -12.099 1.00 0.00 ATOM 56 CB PRO A 8 -1.732 3.063 -10.707 1.00 0.00 ATOM 57 CG PRO A 8 -1.246 1.649 -10.538 1.00 0.00 ATOM 58 CD PRO A 8 -1.087 1.127 -11.929 1.00 0.00 ATOM 59 O PRO A 8 -1.380 4.082 -13.967 1.00 0.00 ATOM 60 C PRO A 8 -2.171 4.213 -13.035 1.00 0.00 ATOM 61 N PRO A 9 -2.776 5.317 -12.740 1.00 0.00 ATOM 62 CA PRO A 9 -2.543 6.486 -13.591 1.00 0.00 ATOM 63 CB PRO A 9 -3.926 7.218 -13.509 1.00 0.00 ATOM 64 CG PRO A 9 -4.120 7.127 -12.019 1.00 0.00 ATOM 65 CD PRO A 9 -3.828 5.655 -11.776 1.00 0.00 ATOM 66 O PRO A 9 -1.103 7.696 -12.115 1.00 0.00 ATOM 67 C PRO A 9 -1.305 7.278 -13.252 1.00 0.00 ATOM 68 N GLY A 10 -0.487 7.562 -14.203 1.00 0.00 ATOM 69 CA GLY A 10 0.638 8.440 -14.097 1.00 0.00 ATOM 70 O GLY A 10 1.836 6.733 -12.942 1.00 0.00 ATOM 71 C GLY A 10 1.859 7.850 -13.488 1.00 0.00 ATOM 72 N PRO A 11 3.080 8.586 -13.623 1.00 0.00 ATOM 73 CA PRO A 11 4.339 8.069 -13.129 1.00 0.00 ATOM 74 CB PRO A 11 5.347 9.151 -13.601 1.00 0.00 ATOM 75 CG PRO A 11 4.646 9.723 -14.814 1.00 0.00 ATOM 76 CD PRO A 11 3.186 9.806 -14.391 1.00 0.00 ATOM 77 O PRO A 11 4.991 6.730 -11.305 1.00 0.00 ATOM 78 C PRO A 11 4.361 7.753 -11.643 1.00 0.00 ATOM 79 N PHE A 12 3.786 8.560 -10.786 1.00 0.00 ATOM 80 CA PHE A 12 3.882 8.340 -9.346 1.00 0.00 ATOM 81 CB PHE A 12 2.640 9.328 -8.727 1.00 0.00 ATOM 82 CG PHE A 12 2.756 9.710 -7.286 1.00 0.00 ATOM 83 CD1 PHE A 12 3.556 10.795 -6.941 1.00 0.00 ATOM 84 CD2 PHE A 12 2.198 8.951 -6.259 1.00 0.00 ATOM 85 CE1 PHE A 12 3.763 11.145 -5.628 1.00 0.00 ATOM 86 CE2 PHE A 12 2.399 9.288 -4.931 1.00 0.00 ATOM 87 CZ PHE A 12 3.207 10.392 -4.606 1.00 0.00 ATOM 88 O PHE A 12 3.722 6.306 -8.076 1.00 0.00 ATOM 89 C PHE A 12 3.201 7.040 -8.919 1.00 0.00 ATOM 90 N THR A 13 2.063 6.754 -9.472 1.00 0.00 ATOM 91 CA THR A 13 1.287 5.535 -9.143 1.00 0.00 ATOM 92 CB THR A 13 -0.119 5.559 -9.796 1.00 0.00 ATOM 93 CG2 THR A 13 -0.917 6.747 -9.276 1.00 0.00 ATOM 94 OG1 THR A 13 0.032 5.661 -11.202 1.00 0.00 ATOM 95 O THR A 13 1.966 3.253 -8.932 1.00 0.00 ATOM 96 C THR A 13 1.995 4.277 -9.629 1.00 0.00 ATOM 97 N ARG A 14 2.637 4.366 -10.787 1.00 0.00 ATOM 98 CA ARG A 14 3.431 3.236 -11.298 1.00 0.00 ATOM 99 CB ARG A 14 4.044 3.469 -12.641 1.00 0.00 ATOM 100 CG ARG A 14 3.033 3.304 -13.786 1.00 0.00 ATOM 101 CD ARG A 14 3.766 3.646 -15.094 1.00 0.00 ATOM 102 NE ARG A 14 3.045 3.178 -16.266 1.00 0.00 ATOM 103 CZ ARG A 14 1.999 3.704 -16.875 1.00 0.00 ATOM 104 NH1 ARG A 14 1.502 3.121 -17.968 1.00 0.00 ATOM 105 NH2 ARG A 14 1.487 4.856 -16.428 1.00 0.00 ATOM 106 O ARG A 14 4.800 1.789 -9.992 1.00 0.00 ATOM 107 C ARG A 14 4.551 2.971 -10.308 1.00 0.00 ATOM 108 N ARG A 15 5.251 3.974 -9.825 1.00 0.00 ATOM 109 CA ARG A 15 6.300 3.824 -8.827 1.00 0.00 ATOM 110 CB ARG A 15 6.910 5.162 -8.453 1.00 0.00 ATOM 111 CG ARG A 15 7.699 5.169 -7.148 1.00 0.00 ATOM 112 CD ARG A 15 7.879 6.574 -6.598 1.00 0.00 ATOM 113 NE ARG A 15 8.870 6.694 -5.534 1.00 0.00 ATOM 114 CZ ARG A 15 10.143 6.324 -5.655 1.00 0.00 ATOM 115 NH1 ARG A 15 10.608 5.804 -6.787 1.00 0.00 ATOM 116 NH2 ARG A 15 10.992 6.466 -4.644 1.00 0.00 ATOM 117 O ARG A 15 6.433 2.295 -6.992 1.00 0.00 ATOM 118 C ARG A 15 5.749 3.164 -7.597 1.00 0.00 ATOM 119 N GLN A 16 4.608 3.703 -7.148 1.00 0.00 ATOM 120 CA GLN A 16 3.978 3.223 -5.911 1.00 0.00 ATOM 121 CB GLN A 16 2.847 4.155 -5.555 1.00 0.00 ATOM 122 CG GLN A 16 3.313 5.550 -5.213 1.00 0.00 ATOM 123 CD GLN A 16 3.745 5.712 -3.781 1.00 0.00 ATOM 124 OE1 GLN A 16 2.904 5.668 -2.852 1.00 0.00 ATOM 125 NE2 GLN A 16 5.039 5.890 -3.565 1.00 0.00 ATOM 126 O GLN A 16 3.712 0.881 -5.201 1.00 0.00 ATOM 127 C GLN A 16 3.555 1.770 -6.068 1.00 0.00 ATOM 128 N ALA A 17 2.973 1.480 -7.244 1.00 0.00 ATOM 129 CA ALA A 17 2.562 0.107 -7.550 1.00 0.00 ATOM 130 CB ALA A 17 1.885 0.160 -8.918 1.00 0.00 ATOM 131 O ALA A 17 3.595 -1.987 -7.020 1.00 0.00 ATOM 132 C ALA A 17 3.718 -0.876 -7.557 1.00 0.00 ATOM 133 N GLN A 18 4.845 -0.533 -8.186 1.00 0.00 ATOM 134 CA GLN A 18 5.999 -1.411 -8.207 1.00 0.00 ATOM 135 CB GLN A 18 7.069 -0.758 -9.109 1.00 0.00 ATOM 136 CG GLN A 18 8.248 -1.689 -9.352 1.00 0.00 ATOM 137 CD GLN A 18 7.846 -2.947 -10.083 1.00 0.00 ATOM 138 OE1 GLN A 18 7.674 -2.925 -11.295 1.00 0.00 ATOM 139 NE2 GLN A 18 7.702 -4.034 -9.330 1.00 0.00 ATOM 140 O GLN A 18 6.796 -2.812 -6.413 1.00 0.00 ATOM 141 C GLN A 18 6.490 -1.698 -6.788 1.00 0.00 ATOM 142 N ALA A 19 6.560 -0.624 -5.971 1.00 0.00 ATOM 143 CA ALA A 19 7.018 -0.795 -4.573 1.00 0.00 ATOM 144 CB ALA A 19 7.010 0.535 -3.837 1.00 0.00 ATOM 145 O ALA A 19 6.513 -2.580 -3.033 1.00 0.00 ATOM 146 C ALA A 19 6.095 -1.787 -3.874 1.00 0.00 ATOM 147 N VAL A 20 4.829 -1.714 -4.200 1.00 0.00 ATOM 148 CA VAL A 20 3.808 -2.537 -3.555 1.00 0.00 ATOM 149 CB VAL A 20 2.452 -2.123 -4.043 1.00 0.00 ATOM 150 CG1 VAL A 20 1.335 -3.154 -3.633 1.00 0.00 ATOM 151 CG2 VAL A 20 2.147 -0.732 -3.532 1.00 0.00 ATOM 152 O VAL A 20 4.151 -4.312 -5.143 1.00 0.00 ATOM 153 C VAL A 20 4.102 -3.976 -3.960 1.00 0.00 ATOM 154 N THR A 21 4.292 -4.844 -2.887 1.00 0.00 ATOM 155 CA THR A 21 4.580 -6.252 -3.112 1.00 0.00 ATOM 156 CB THR A 21 4.802 -6.974 -1.751 1.00 0.00 ATOM 157 CG2 THR A 21 5.142 -8.432 -1.945 1.00 0.00 ATOM 158 OG1 THR A 21 5.867 -6.347 -1.027 1.00 0.00 ATOM 159 O THR A 21 2.351 -6.731 -3.839 1.00 0.00 ATOM 160 C THR A 21 3.557 -6.878 -4.058 1.00 0.00 ATOM 161 N THR A 22 4.035 -7.550 -5.123 1.00 0.00 ATOM 162 CA THR A 22 3.161 -8.068 -6.178 1.00 0.00 ATOM 163 CB THR A 22 3.968 -8.720 -7.317 1.00 0.00 ATOM 164 CG2 THR A 22 3.033 -9.304 -8.364 1.00 0.00 ATOM 165 OG1 THR A 22 4.804 -7.738 -7.937 1.00 0.00 ATOM 166 O THR A 22 1.093 -9.267 -6.225 1.00 0.00 ATOM 167 C THR A 22 2.193 -9.144 -5.685 1.00 0.00 ATOM 168 N THR A 23 2.588 -9.893 -4.656 1.00 0.00 ATOM 169 CA THR A 23 1.769 -10.986 -4.118 1.00 0.00 ATOM 170 CB THR A 23 2.605 -11.943 -3.251 1.00 0.00 ATOM 171 CG2 THR A 23 3.727 -12.564 -4.069 1.00 0.00 ATOM 172 OG1 THR A 23 3.175 -11.224 -2.150 1.00 0.00 ATOM 173 O THR A 23 -0.113 -11.376 -2.689 1.00 0.00 ATOM 174 C THR A 23 0.618 -10.546 -3.228 1.00 0.00 ATOM 175 N TYR A 24 0.445 -9.167 -3.089 1.00 0.00 ATOM 176 CA TYR A 24 -0.641 -8.621 -2.281 1.00 0.00 ATOM 177 CB TYR A 24 -0.382 -7.164 -1.911 1.00 0.00 ATOM 178 CG TYR A 24 0.774 -6.917 -0.977 1.00 0.00 ATOM 179 CD1 TYR A 24 1.050 -7.789 0.087 1.00 0.00 ATOM 180 CD2 TYR A 24 1.547 -5.758 -1.103 1.00 0.00 ATOM 181 CE1 TYR A 24 2.066 -7.498 1.008 1.00 0.00 ATOM 182 CE2 TYR A 24 2.552 -5.471 -0.195 1.00 0.00 ATOM 183 CZ TYR A 24 2.802 -6.338 0.857 1.00 0.00 ATOM 184 OH TYR A 24 3.788 -6.016 1.761 1.00 0.00 ATOM 185 O TYR A 24 -1.958 -8.538 -4.288 1.00 0.00 ATOM 186 C TYR A 24 -1.952 -8.686 -3.063 1.00 0.00 ATOM 187 N SER A 25 -3.056 -8.903 -2.351 1.00 0.00 ATOM 188 CA SER A 25 -4.368 -9.062 -2.990 1.00 0.00 ATOM 189 CB SER A 25 -5.038 -10.324 -2.451 1.00 0.00 ATOM 190 OG SER A 25 -5.198 -10.199 -1.046 1.00 0.00 ATOM 191 O SER A 25 -5.135 -7.061 -1.870 1.00 0.00 ATOM 192 C SER A 25 -5.257 -7.827 -2.839 1.00 0.00 ATOM 193 N ASN A 26 -6.159 -7.663 -3.811 1.00 0.00 ATOM 194 CA ASN A 26 -7.109 -6.548 -3.896 1.00 0.00 ATOM 195 CB ASN A 26 -8.226 -6.717 -2.864 1.00 0.00 ATOM 196 CG ASN A 26 -9.406 -5.801 -3.126 1.00 0.00 ATOM 197 ND2 ASN A 26 -10.170 -5.507 -2.081 1.00 0.00 ATOM 198 OD1 ASN A 26 -9.625 -5.363 -4.255 1.00 0.00 ATOM 199 O ASN A 26 -6.893 -4.379 -2.878 1.00 0.00 ATOM 200 C ASN A 26 -6.420 -5.186 -3.655 1.00 0.00 ATOM 201 N ILE A 27 -5.333 -4.935 -4.379 1.00 0.00 ATOM 202 CA ILE A 27 -4.580 -3.728 -4.234 1.00 0.00 ATOM 203 CB ILE A 27 -3.133 -3.889 -4.805 1.00 0.00 ATOM 204 CG1 ILE A 27 -2.363 -4.962 -4.027 1.00 0.00 ATOM 205 CG2 ILE A 27 -2.380 -2.561 -4.753 1.00 0.00 ATOM 206 CD1 ILE A 27 -1.065 -5.363 -4.696 1.00 0.00 ATOM 207 O ILE A 27 -5.591 -2.601 -6.081 1.00 0.00 ATOM 208 C ILE A 27 -5.231 -2.533 -4.911 1.00 0.00 ATOM 209 N THR A 28 -5.389 -1.461 -4.149 1.00 0.00 ATOM 210 CA THR A 28 -5.947 -0.216 -4.666 1.00 0.00 ATOM 211 CB THR A 28 -7.140 0.272 -3.835 1.00 0.00 ATOM 212 CG2 THR A 28 -7.732 1.546 -4.404 1.00 0.00 ATOM 213 OG1 THR A 28 -8.189 -0.727 -3.833 1.00 0.00 ATOM 214 O THR A 28 -4.452 1.148 -3.373 1.00 0.00 ATOM 215 C THR A 28 -4.921 0.899 -4.488 1.00 0.00 ATOM 216 N LEU A 29 -4.556 1.548 -5.595 1.00 0.00 ATOM 217 CA LEU A 29 -3.595 2.651 -5.572 1.00 0.00 ATOM 218 CB LEU A 29 -2.509 2.400 -6.619 1.00 0.00 ATOM 219 CG LEU A 29 -1.694 1.115 -6.456 1.00 0.00 ATOM 220 CD1 LEU A 29 -0.745 0.927 -7.630 1.00 0.00 ATOM 221 CD2 LEU A 29 -0.870 1.160 -5.179 1.00 0.00 ATOM 222 O LEU A 29 -5.279 3.993 -6.655 1.00 0.00 ATOM 223 C LEU A 29 -4.332 3.957 -5.871 1.00 0.00 ATOM 224 N GLU A 30 -3.860 5.030 -5.259 1.00 0.00 ATOM 225 CA GLU A 30 -4.423 6.352 -5.457 1.00 0.00 ATOM 226 CB GLU A 30 -3.867 7.334 -4.425 1.00 0.00 ATOM 227 CG GLU A 30 -4.462 7.174 -3.036 1.00 0.00 ATOM 228 CD GLU A 30 -5.955 7.446 -3.005 1.00 0.00 ATOM 229 OE1 GLU A 30 -6.370 8.530 -3.469 1.00 0.00 ATOM 230 OE2 GLU A 30 -6.707 6.575 -2.519 1.00 0.00 ATOM 231 O GLU A 30 -2.927 7.105 -7.174 1.00 0.00 ATOM 232 C GLU A 30 -4.098 6.981 -6.811 1.00 0.00 ATOM 233 N ASP A 31 -5.144 7.375 -7.564 1.00 0.00 ATOM 234 CA ASP A 31 -4.975 8.165 -8.784 1.00 0.00 ATOM 235 CB ASP A 31 -6.257 8.132 -9.622 1.00 0.00 ATOM 236 CG ASP A 31 -7.444 8.735 -8.894 1.00 0.00 ATOM 237 OD1 ASP A 31 -7.753 8.272 -7.776 1.00 0.00 ATOM 238 OD2 ASP A 31 -8.063 9.667 -9.444 1.00 0.00 ATOM 239 O ASP A 31 -3.969 10.271 -9.343 1.00 0.00 ATOM 240 C ASP A 31 -4.586 9.619 -8.497 1.00 0.00 ATOM 241 N ASP A 32 -4.954 10.105 -7.313 1.00 0.00 ATOM 242 CA ASP A 32 -4.626 11.453 -6.864 1.00 0.00 ATOM 243 CB ASP A 32 -5.798 12.029 -6.065 1.00 0.00 ATOM 244 CG ASP A 32 -7.011 12.307 -6.930 1.00 0.00 ATOM 245 OD1 ASP A 32 -6.871 12.300 -8.171 1.00 0.00 ATOM 246 OD2 ASP A 32 -8.103 12.530 -6.365 1.00 0.00 ATOM 247 O ASP A 32 -3.272 10.904 -4.959 1.00 0.00 ATOM 248 C ASP A 32 -3.317 11.443 -6.066 1.00 0.00 ATOM 249 N GLN A 33 -2.180 12.063 -6.569 1.00 0.00 ATOM 250 CA GLN A 33 -0.899 12.097 -5.861 1.00 0.00 ATOM 251 CB GLN A 33 0.192 12.743 -6.777 1.00 0.00 ATOM 252 CG GLN A 33 0.153 14.290 -6.848 1.00 0.00 ATOM 253 CD GLN A 33 -1.093 14.840 -7.549 1.00 0.00 ATOM 254 OE1 GLN A 33 -1.640 14.212 -8.461 1.00 0.00 ATOM 255 NE2 GLN A 33 -1.513 16.037 -7.152 1.00 0.00 ATOM 256 O GLN A 33 -0.083 12.499 -3.639 1.00 0.00 ATOM 257 C GLN A 33 -0.954 12.742 -4.478 1.00 0.00 ATOM 258 N GLY A 34 -2.005 13.522 -4.226 1.00 0.00 ATOM 259 CA GLY A 34 -2.148 14.259 -2.969 1.00 0.00 ATOM 260 O GLY A 34 -2.746 13.983 -0.640 1.00 0.00 ATOM 261 C GLY A 34 -2.756 13.504 -1.795 1.00 0.00 ATOM 262 N SER A 35 -3.331 12.286 -2.052 1.00 0.00 ATOM 263 CA SER A 35 -4.034 11.543 -1.032 1.00 0.00 ATOM 264 CB SER A 35 -4.669 10.295 -1.650 1.00 0.00 ATOM 265 OG SER A 35 -5.206 9.446 -0.650 1.00 0.00 ATOM 266 O SER A 35 -1.934 10.620 -0.279 1.00 0.00 ATOM 267 C SER A 35 -3.041 11.104 0.050 1.00 0.00 ATOM 268 N HIS A 36 -3.463 11.201 1.306 1.00 0.00 ATOM 269 CA HIS A 36 -2.677 10.718 2.440 1.00 0.00 ATOM 270 CB HIS A 36 -3.381 11.139 3.752 1.00 0.00 ATOM 271 CG HIS A 36 -3.365 12.614 3.991 1.00 0.00 ATOM 272 CD2 HIS A 36 -2.610 13.594 3.440 1.00 0.00 ATOM 273 ND1 HIS A 36 -4.208 13.236 4.884 1.00 0.00 ATOM 274 CE1 HIS A 36 -3.975 14.536 4.872 1.00 0.00 ATOM 275 NE2 HIS A 36 -3.011 14.779 4.003 1.00 0.00 ATOM 276 O HIS A 36 -1.395 8.743 2.884 1.00 0.00 ATOM 277 C HIS A 36 -2.453 9.214 2.468 1.00 0.00 ATOM 278 N PHE A 37 -3.475 8.475 2.044 1.00 0.00 ATOM 279 CA PHE A 37 -3.384 7.035 1.881 1.00 0.00 ATOM 280 CB PHE A 37 -4.578 6.244 2.556 1.00 0.00 ATOM 281 CG PHE A 37 -4.745 6.349 4.074 1.00 0.00 ATOM 282 CD1 PHE A 37 -3.882 7.093 4.878 1.00 0.00 ATOM 283 CD2 PHE A 37 -5.820 5.704 4.681 1.00 0.00 ATOM 284 CE1 PHE A 37 -4.103 7.185 6.269 1.00 0.00 ATOM 285 CE2 PHE A 37 -6.055 5.786 6.051 1.00 0.00 ATOM 286 CZ PHE A 37 -5.193 6.529 6.853 1.00 0.00 ATOM 287 O PHE A 37 -4.018 7.035 -0.425 1.00 0.00 ATOM 288 C PHE A 37 -3.142 6.766 0.400 1.00 0.00 ATOM 289 N ARG A 38 -1.866 6.381 0.003 1.00 0.00 ATOM 290 CA ARG A 38 -1.436 6.243 -1.389 1.00 0.00 ATOM 291 CB ARG A 38 0.049 6.651 -1.521 1.00 0.00 ATOM 292 CG ARG A 38 0.217 8.148 -1.633 1.00 0.00 ATOM 293 CD ARG A 38 1.662 8.624 -1.759 1.00 0.00 ATOM 294 NE ARG A 38 1.661 10.075 -1.950 1.00 0.00 ATOM 295 CZ ARG A 38 2.295 10.946 -1.171 1.00 0.00 ATOM 296 NH1 ARG A 38 3.008 10.524 -0.133 1.00 0.00 ATOM 297 NH2 ARG A 38 2.184 12.246 -1.412 1.00 0.00 ATOM 298 O ARG A 38 -1.957 4.701 -3.149 1.00 0.00 ATOM 299 C ARG A 38 -1.668 4.852 -1.959 1.00 0.00 ATOM 300 N LEU A 39 -1.533 3.842 -1.107 1.00 0.00 ATOM 301 CA LEU A 39 -1.779 2.461 -1.487 1.00 0.00 ATOM 302 CB LEU A 39 -0.488 1.811 -1.986 1.00 0.00 ATOM 303 CG LEU A 39 0.680 1.779 -0.999 1.00 0.00 ATOM 304 CD1 LEU A 39 0.583 0.563 -0.089 1.00 0.00 ATOM 305 CD2 LEU A 39 2.008 1.713 -1.742 1.00 0.00 ATOM 306 O LEU A 39 -1.875 1.866 0.833 1.00 0.00 ATOM 307 C LEU A 39 -2.309 1.662 -0.305 1.00 0.00 ATOM 308 N VAL A 40 -3.257 0.715 -0.669 1.00 0.00 ATOM 309 CA VAL A 40 -3.704 -0.270 0.312 1.00 0.00 ATOM 310 CB VAL A 40 -5.070 0.084 0.936 1.00 0.00 ATOM 311 CG1 VAL A 40 -6.148 0.166 -0.121 1.00 0.00 ATOM 312 CG2 VAL A 40 -5.432 -0.957 1.993 1.00 0.00 ATOM 313 O VAL A 40 -4.389 -1.667 -1.522 1.00 0.00 ATOM 314 C VAL A 40 -4.021 -1.611 -0.348 1.00 0.00 ATOM 315 N VAL A 41 -3.813 -2.685 0.407 1.00 0.00 ATOM 316 CA VAL A 41 -4.049 -4.040 -0.071 1.00 0.00 ATOM 317 CB VAL A 41 -2.922 -4.475 -1.023 1.00 0.00 ATOM 318 CG1 VAL A 41 -1.602 -4.576 -0.275 1.00 0.00 ATOM 319 CG2 VAL A 41 -3.234 -5.833 -1.633 1.00 0.00 ATOM 320 O VAL A 41 -4.091 -4.602 2.251 1.00 0.00 ATOM 321 C VAL A 41 -4.086 -5.015 1.087 1.00 0.00 ATOM 322 N ARG A 42 -4.303 -6.285 0.762 1.00 0.00 ATOM 323 CA ARG A 42 -4.372 -7.356 1.751 1.00 0.00 ATOM 324 CB ARG A 42 -5.734 -8.084 1.610 1.00 0.00 ATOM 325 CG ARG A 42 -6.935 -7.190 1.840 1.00 0.00 ATOM 326 CD ARG A 42 -8.224 -7.982 1.903 1.00 0.00 ATOM 327 NE ARG A 42 -9.425 -7.149 1.963 1.00 0.00 ATOM 328 CZ ARG A 42 -10.034 -6.733 3.080 1.00 0.00 ATOM 329 NH1 ARG A 42 -9.557 -7.026 4.291 1.00 0.00 ATOM 330 NH2 ARG A 42 -11.136 -5.994 2.980 1.00 0.00 ATOM 331 O ARG A 42 -2.700 -8.663 0.663 1.00 0.00 ATOM 332 C ARG A 42 -3.091 -8.178 1.723 1.00 0.00 ATOM 333 N ASP A 43 -2.453 -8.433 2.983 1.00 0.00 ATOM 334 CA ASP A 43 -1.276 -9.297 3.040 1.00 0.00 ATOM 335 CB ASP A 43 -0.502 -9.065 4.338 1.00 0.00 ATOM 336 CG ASP A 43 -1.280 -9.496 5.564 1.00 0.00 ATOM 337 OD1 ASP A 43 -2.314 -10.177 5.403 1.00 0.00 ATOM 338 OD2 ASP A 43 -0.857 -9.152 6.688 1.00 0.00 ATOM 339 O ASP A 43 -2.798 -11.102 2.585 1.00 0.00 ATOM 340 C ASP A 43 -1.669 -10.778 2.966 1.00 0.00 ATOM 341 N THR A 44 -0.696 -11.578 3.334 1.00 0.00 ATOM 342 CA THR A 44 -0.857 -13.036 3.244 1.00 0.00 ATOM 343 CB THR A 44 0.475 -13.780 3.295 1.00 0.00 ATOM 344 CG2 THR A 44 1.269 -13.530 2.013 1.00 0.00 ATOM 345 OG1 THR A 44 1.248 -13.364 4.429 1.00 0.00 ATOM 346 O THR A 44 -2.404 -14.549 4.103 1.00 0.00 ATOM 347 C THR A 44 -1.712 -13.569 4.383 1.00 0.00 ATOM 348 N GLU A 45 -1.938 -12.830 5.422 1.00 0.00 ATOM 349 CA GLU A 45 -2.882 -13.179 6.476 1.00 0.00 ATOM 350 CB GLU A 45 -2.478 -12.464 7.811 1.00 0.00 ATOM 351 CG GLU A 45 -1.002 -12.478 8.162 1.00 0.00 ATOM 352 CD GLU A 45 -0.573 -13.592 9.079 1.00 0.00 ATOM 353 OE1 GLU A 45 -1.419 -14.416 9.492 1.00 0.00 ATOM 354 OE2 GLU A 45 0.633 -13.670 9.395 1.00 0.00 ATOM 355 O GLU A 45 -5.084 -12.728 7.223 1.00 0.00 ATOM 356 C GLU A 45 -4.266 -12.559 6.306 1.00 0.00 ATOM 357 N GLY A 46 -4.500 -11.807 5.233 1.00 0.00 ATOM 358 CA GLY A 46 -5.797 -11.174 5.026 1.00 0.00 ATOM 359 O GLY A 46 -7.068 -9.510 6.186 1.00 0.00 ATOM 360 C GLY A 46 -5.951 -9.890 5.822 1.00 0.00 ATOM 361 N ARG A 47 -4.829 -9.240 6.130 1.00 0.00 ATOM 362 CA ARG A 47 -4.843 -7.990 6.887 1.00 0.00 ATOM 363 CB ARG A 47 -3.592 -7.966 7.732 1.00 0.00 ATOM 364 CG ARG A 47 -3.543 -6.738 8.640 1.00 0.00 ATOM 365 CD ARG A 47 -4.573 -6.812 9.763 1.00 0.00 ATOM 366 NE ARG A 47 -4.248 -7.950 10.606 1.00 0.00 ATOM 367 CZ ARG A 47 -3.365 -7.857 11.582 1.00 0.00 ATOM 368 NH1 ARG A 47 -2.767 -6.701 11.863 1.00 0.00 ATOM 369 NH2 ARG A 47 -3.059 -8.951 12.260 1.00 0.00 ATOM 370 O ARG A 47 -3.851 -6.900 4.997 1.00 0.00 ATOM 371 C ARG A 47 -4.606 -6.802 5.961 1.00 0.00 ATOM 372 N MET A 48 -5.267 -5.682 6.256 1.00 0.00 ATOM 373 CA MET A 48 -5.072 -4.457 5.485 1.00 0.00 ATOM 374 CB MET A 48 -6.370 -3.586 5.570 1.00 0.00 ATOM 375 CG MET A 48 -7.669 -4.258 5.210 1.00 0.00 ATOM 376 SD MET A 48 -9.019 -3.178 5.686 1.00 0.00 ATOM 377 CE MET A 48 -8.795 -1.816 4.533 1.00 0.00 ATOM 378 O MET A 48 -3.449 -3.361 6.865 1.00 0.00 ATOM 379 C MET A 48 -3.747 -3.748 5.735 1.00 0.00 ATOM 380 N VAL A 49 -3.051 -3.447 4.662 1.00 0.00 ATOM 381 CA VAL A 49 -1.744 -2.803 4.715 1.00 0.00 ATOM 382 CB VAL A 49 -0.641 -3.710 4.146 1.00 0.00 ATOM 383 CG1 VAL A 49 -0.522 -4.985 4.968 1.00 0.00 ATOM 384 CG2 VAL A 49 -0.956 -4.095 2.709 1.00 0.00 ATOM 385 O VAL A 49 -2.320 -1.484 2.798 1.00 0.00 ATOM 386 C VAL A 49 -1.741 -1.529 3.888 1.00 0.00 ATOM 387 N TRP A 50 -1.053 -0.505 4.410 1.00 0.00 ATOM 388 CA TRP A 50 -1.128 0.809 3.805 1.00 0.00 ATOM 389 CB TRP A 50 -1.882 1.770 4.692 1.00 0.00 ATOM 390 CG TRP A 50 -3.308 1.407 4.764 1.00 0.00 ATOM 391 CD1 TRP A 50 -3.872 0.467 5.569 1.00 0.00 ATOM 392 CD2 TRP A 50 -4.365 1.934 3.958 1.00 0.00 ATOM 393 CE2 TRP A 50 -5.546 1.265 4.331 1.00 0.00 ATOM 394 CE3 TRP A 50 -4.430 2.907 2.951 1.00 0.00 ATOM 395 NE1 TRP A 50 -5.216 0.372 5.317 1.00 0.00 ATOM 396 CZ2 TRP A 50 -6.780 1.535 3.738 1.00 0.00 ATOM 397 CZ3 TRP A 50 -5.659 3.176 2.361 1.00 0.00 ATOM 398 CH2 TRP A 50 -6.813 2.494 2.757 1.00 0.00 ATOM 399 O TRP A 50 1.131 1.211 4.512 1.00 0.00 ATOM 400 C TRP A 50 0.222 1.506 3.742 1.00 0.00 ATOM 401 N ARG A 51 0.346 2.401 2.771 1.00 0.00 ATOM 402 CA ARG A 51 1.547 3.201 2.587 1.00 0.00 ATOM 403 CB ARG A 51 2.422 3.091 1.638 1.00 0.00 ATOM 404 CG ARG A 51 3.708 2.716 2.341 1.00 0.00 ATOM 405 CD ARG A 51 4.892 2.893 1.395 1.00 0.00 ATOM 406 NE ARG A 51 4.895 1.888 0.341 1.00 0.00 ATOM 407 CZ ARG A 51 5.354 0.651 0.494 1.00 0.00 ATOM 408 NH1 ARG A 51 5.868 0.263 1.660 1.00 0.00 ATOM 409 NH2 ARG A 51 5.268 -0.214 -0.507 1.00 0.00 ATOM 410 O ARG A 51 0.151 5.119 2.267 1.00 0.00 ATOM 411 C ARG A 51 1.112 4.632 2.875 1.00 0.00 ATOM 412 N ALA A 52 1.656 5.216 3.939 1.00 0.00 ATOM 413 CA ALA A 52 1.310 6.587 4.318 1.00 0.00 ATOM 414 CB ALA A 52 1.720 6.854 5.760 1.00 0.00 ATOM 415 O ALA A 52 2.868 7.216 2.584 1.00 0.00 ATOM 416 C ALA A 52 2.032 7.591 3.406 1.00 0.00 ATOM 417 N TRP A 53 1.744 8.976 3.528 1.00 0.00 ATOM 418 CA TRP A 53 2.398 10.028 2.737 1.00 0.00 ATOM 419 CB TRP A 53 1.776 11.392 3.042 1.00 0.00 ATOM 420 CG TRP A 53 1.879 11.790 4.482 1.00 0.00 ATOM 421 CD1 TRP A 53 2.923 12.437 5.082 1.00 0.00 ATOM 422 CD2 TRP A 53 0.903 11.567 5.506 1.00 0.00 ATOM 423 CE2 TRP A 53 1.421 12.104 6.700 1.00 0.00 ATOM 424 CE3 TRP A 53 -0.359 10.965 5.531 1.00 0.00 ATOM 425 NE1 TRP A 53 2.657 12.630 6.416 1.00 0.00 ATOM 426 CZ2 TRP A 53 0.721 12.058 7.907 1.00 0.00 ATOM 427 CZ3 TRP A 53 -1.048 10.921 6.727 1.00 0.00 ATOM 428 CH2 TRP A 53 -0.509 11.463 7.899 1.00 0.00 ATOM 429 O TRP A 53 4.652 10.758 2.296 1.00 0.00 ATOM 430 C TRP A 53 3.901 10.120 3.034 1.00 0.00 ATOM 431 N ASN A 54 4.334 9.484 4.121 1.00 0.00 ATOM 432 CA ASN A 54 5.745 9.485 4.496 1.00 0.00 ATOM 433 CB ASN A 54 5.889 9.194 6.004 1.00 0.00 ATOM 434 CG ASN A 54 7.171 9.740 6.575 1.00 0.00 ATOM 435 ND2 ASN A 54 7.757 8.989 7.545 1.00 0.00 ATOM 436 OD1 ASN A 54 7.737 10.778 6.214 1.00 0.00 ATOM 437 O ASN A 54 7.545 7.922 4.343 1.00 0.00 ATOM 438 C ASN A 54 6.456 8.280 3.897 1.00 0.00 ATOM 439 N PHE A 55 5.770 7.562 3.012 1.00 0.00 ATOM 440 CA PHE A 55 6.368 6.389 2.403 1.00 0.00 ATOM 441 CB PHE A 55 7.508 6.702 1.491 1.00 0.00 ATOM 442 CG PHE A 55 7.061 7.622 0.382 1.00 0.00 ATOM 443 CD1 PHE A 55 6.029 7.258 -0.520 1.00 0.00 ATOM 444 CD2 PHE A 55 7.626 8.906 0.279 1.00 0.00 ATOM 445 CE1 PHE A 55 5.614 8.159 -1.514 1.00 0.00 ATOM 446 CE2 PHE A 55 7.216 9.792 -0.722 1.00 0.00 ATOM 447 CZ PHE A 55 6.217 9.429 -1.607 1.00 0.00 ATOM 448 O PHE A 55 7.531 4.461 3.207 1.00 0.00 ATOM 449 C PHE A 55 6.631 5.275 3.406 1.00 0.00 ATOM 450 N GLU A 56 5.841 5.249 4.479 1.00 0.00 ATOM 451 CA GLU A 56 5.959 4.236 5.532 1.00 0.00 ATOM 452 CB GLU A 56 5.768 4.850 6.927 1.00 0.00 ATOM 453 CG GLU A 56 6.769 5.916 7.351 1.00 0.00 ATOM 454 CD GLU A 56 8.199 5.418 7.310 1.00 0.00 ATOM 455 OE1 GLU A 56 8.427 4.236 7.662 1.00 0.00 ATOM 456 OE2 GLU A 56 9.098 6.213 6.947 1.00 0.00 ATOM 457 O GLU A 56 3.716 3.519 5.068 1.00 0.00 ATOM 458 C GLU A 56 4.870 3.182 5.341 1.00 0.00 ATOM 459 N PRO A 57 5.175 1.788 5.574 1.00 0.00 ATOM 460 CA PRO A 57 4.216 0.693 5.466 1.00 0.00 ATOM 461 CB PRO A 57 5.025 -0.445 4.820 1.00 0.00 ATOM 462 CG PRO A 57 6.433 -0.211 5.254 1.00 0.00 ATOM 463 CD PRO A 57 6.563 1.282 5.526 1.00 0.00 ATOM 464 O PRO A 57 4.418 0.243 7.815 1.00 0.00 ATOM 465 C PRO A 57 3.669 0.311 6.835 1.00 0.00 ATOM 466 N ASP A 58 2.346 0.197 6.931 1.00 0.00 ATOM 467 CA ASP A 58 1.696 -0.162 8.191 1.00 0.00 ATOM 468 CB ASP A 58 1.191 1.122 8.880 1.00 0.00 ATOM 469 CG ASP A 58 2.272 2.168 9.058 1.00 0.00 ATOM 470 OD1 ASP A 58 3.325 1.841 9.644 1.00 0.00 ATOM 471 OD2 ASP A 58 2.066 3.319 8.615 1.00 0.00 ATOM 472 O ASP A 58 0.034 -1.330 6.943 1.00 0.00 ATOM 473 C ASP A 58 0.752 -1.324 7.946 1.00 0.00 ATOM 474 N ALA A 59 0.755 -2.314 8.835 1.00 0.00 ATOM 475 CA ALA A 59 -0.186 -3.415 8.681 1.00 0.00 ATOM 476 CB ALA A 59 0.525 -4.773 8.519 1.00 0.00 ATOM 477 O ALA A 59 -0.846 -4.077 10.887 1.00 0.00 ATOM 478 C ALA A 59 -1.208 -3.617 9.801 1.00 0.00 ATOM 479 N GLY A 60 -2.485 -3.455 9.524 1.00 0.00 ATOM 480 CA GLY A 60 -3.523 -3.610 10.559 1.00 0.00 ATOM 481 O GLY A 60 -3.454 -1.683 11.954 1.00 0.00 ATOM 482 C GLY A 60 -3.242 -2.888 11.844 1.00 0.00 ATOM 483 N GLU A 61 -2.756 -3.695 12.876 1.00 0.00 ATOM 484 CA GLU A 61 -2.448 -3.115 14.177 1.00 0.00 ATOM 485 CB GLU A 61 -1.944 -4.221 15.121 1.00 0.00 ATOM 486 CG GLU A 61 -3.035 -5.199 15.505 1.00 0.00 ATOM 487 CD GLU A 61 -2.535 -6.408 16.262 1.00 0.00 ATOM 488 OE1 GLU A 61 -1.313 -6.660 16.296 1.00 0.00 ATOM 489 OE2 GLU A 61 -3.381 -7.130 16.813 1.00 0.00 ATOM 490 O GLU A 61 -1.560 -0.976 14.755 1.00 0.00 ATOM 491 C GLU A 61 -1.405 -2.011 14.122 1.00 0.00 ATOM 492 N GLY A 62 -0.325 -2.238 13.386 1.00 0.00 ATOM 493 CA GLY A 62 0.705 -1.219 13.257 1.00 0.00 ATOM 494 O GLY A 62 0.457 1.159 13.087 1.00 0.00 ATOM 495 C GLY A 62 0.161 0.044 12.636 1.00 0.00 ATOM 496 N LEU A 63 -0.631 -0.117 11.584 1.00 0.00 ATOM 497 CA LEU A 63 -1.244 1.015 10.899 1.00 0.00 ATOM 498 CB LEU A 63 -1.971 0.510 9.625 1.00 0.00 ATOM 499 CG LEU A 63 -2.672 1.795 9.144 1.00 0.00 ATOM 500 CD1 LEU A 63 -1.924 2.455 8.043 1.00 0.00 ATOM 501 CD2 LEU A 63 -4.131 1.570 8.940 1.00 0.00 ATOM 502 O LEU A 63 -2.264 2.992 11.831 1.00 0.00 ATOM 503 C LEU A 63 -2.187 1.760 11.838 1.00 0.00 ATOM 504 N ASN A 64 -2.972 0.999 12.601 1.00 0.00 ATOM 505 CA ASN A 64 -3.911 1.620 13.528 1.00 0.00 ATOM 506 CB ASN A 64 -4.665 0.537 14.305 1.00 0.00 ATOM 507 CG ASN A 64 -5.689 -0.182 13.454 1.00 0.00 ATOM 508 ND2 ASN A 64 -6.143 -1.338 13.926 1.00 0.00 ATOM 509 OD1 ASN A 64 -6.068 0.292 12.382 1.00 0.00 ATOM 510 O ASN A 64 -3.505 3.691 14.691 1.00 0.00 ATOM 511 C ASN A 64 -3.165 2.521 14.512 1.00 0.00 ATOM 512 N ARG A 65 -2.093 1.988 15.116 1.00 0.00 ATOM 513 CA ARG A 65 -1.299 2.742 16.076 1.00 0.00 ATOM 514 CB ARG A 65 -0.333 1.806 16.833 1.00 0.00 ATOM 515 CG ARG A 65 -0.945 0.622 17.587 1.00 0.00 ATOM 516 CD ARG A 65 0.141 -0.285 18.169 1.00 0.00 ATOM 517 NE ARG A 65 -0.496 -1.213 19.132 1.00 0.00 ATOM 518 CZ ARG A 65 0.179 -2.217 19.706 1.00 0.00 ATOM 519 NH1 ARG A 65 1.471 -2.437 19.485 1.00 0.00 ATOM 520 NH2 ARG A 65 -0.494 -3.000 20.549 1.00 0.00 ATOM 521 O ARG A 65 -0.492 5.000 15.989 1.00 0.00 ATOM 522 C ARG A 65 -0.570 3.911 15.417 1.00 0.00 ATOM 523 N TYR A 66 -0.018 3.669 14.252 1.00 0.00 ATOM 524 CA TYR A 66 0.681 4.751 13.549 1.00 0.00 ATOM 525 CB TYR A 66 1.488 4.167 12.314 1.00 0.00 ATOM 526 CG TYR A 66 2.289 5.204 11.537 1.00 0.00 ATOM 527 CD1 TYR A 66 1.653 6.195 10.788 1.00 0.00 ATOM 528 CD2 TYR A 66 3.684 5.184 11.544 1.00 0.00 ATOM 529 CE1 TYR A 66 2.383 7.137 10.063 1.00 0.00 ATOM 530 CE2 TYR A 66 4.426 6.122 10.821 1.00 0.00 ATOM 531 CZ TYR A 66 3.769 7.094 10.082 1.00 0.00 ATOM 532 OH TYR A 66 4.492 8.018 9.360 1.00 0.00 ATOM 533 O TYR A 66 0.008 7.039 13.422 1.00 0.00 ATOM 534 C TYR A 66 -0.310 5.870 13.237 1.00 0.00 ATOM 535 N ILE A 67 -1.500 5.527 12.759 1.00 0.00 ATOM 536 CA ILE A 67 -2.515 6.540 12.475 1.00 0.00 ATOM 537 CB ILE A 67 -3.739 5.848 11.766 1.00 0.00 ATOM 538 CG1 ILE A 67 -3.361 5.459 10.334 1.00 0.00 ATOM 539 CG2 ILE A 67 -4.970 6.743 11.780 1.00 0.00 ATOM 540 CD1 ILE A 67 -4.401 4.575 9.651 1.00 0.00 ATOM 541 O ILE A 67 -3.153 8.488 13.751 1.00 0.00 ATOM 542 C ILE A 67 -2.896 7.281 13.763 1.00 0.00 ATOM 543 N ARG A 68 -2.922 6.536 14.846 1.00 0.00 ATOM 544 CA ARG A 68 -3.261 7.123 16.140 1.00 0.00 ATOM 545 CB ARG A 68 -3.288 6.041 17.221 1.00 0.00 ATOM 546 CG ARG A 68 -4.456 5.077 17.105 1.00 0.00 ATOM 547 CD ARG A 68 -4.395 4.004 18.182 1.00 0.00 ATOM 548 NE ARG A 68 -5.482 3.036 18.053 1.00 0.00 ATOM 549 CZ ARG A 68 -5.630 1.971 18.831 1.00 0.00 ATOM 550 NH1 ARG A 68 -6.650 1.147 18.642 1.00 0.00 ATOM 551 NH2 ARG A 68 -4.755 1.732 19.798 1.00 0.00 ATOM 552 O ARG A 68 -2.542 9.344 16.778 1.00 0.00 ATOM 553 C ARG A 68 -2.197 8.179 16.541 1.00 0.00 ATOM 554 N THR A 69 -0.942 7.826 16.439 1.00 0.00 ATOM 555 CA THR A 69 0.121 8.746 16.777 1.00 0.00 ATOM 556 CB THR A 69 1.459 7.947 16.894 1.00 0.00 ATOM 557 CG2 THR A 69 2.607 8.860 17.274 1.00 0.00 ATOM 558 OG1 THR A 69 1.311 6.922 17.882 1.00 0.00 ATOM 559 O THR A 69 0.518 11.042 16.221 1.00 0.00 ATOM 560 C THR A 69 0.158 9.932 15.827 1.00 0.00 ATOM 561 N SER A 70 -0.153 9.676 14.562 1.00 0.00 ATOM 562 CA SER A 70 -0.124 10.706 13.528 1.00 0.00 ATOM 563 CB SER A 70 0.301 10.040 12.184 1.00 0.00 ATOM 564 OG SER A 70 -0.740 9.195 11.729 1.00 0.00 ATOM 565 O SER A 70 -1.453 12.460 12.591 1.00 0.00 ATOM 566 C SER A 70 -1.414 11.504 13.366 1.00 0.00 ATOM 567 N GLY A 71 -2.454 11.153 14.148 1.00 0.00 ATOM 568 CA GLY A 71 -3.715 11.869 14.044 1.00 0.00 ATOM 569 O GLY A 71 -5.150 12.637 12.285 1.00 0.00 ATOM 570 C GLY A 71 -4.443 11.720 12.717 1.00 0.00 ATOM 571 N ILE A 72 -4.297 10.561 12.074 1.00 0.00 ATOM 572 CA ILE A 72 -4.953 10.319 10.793 1.00 0.00 ATOM 573 CB ILE A 72 -4.256 9.185 10.042 1.00 0.00 ATOM 574 CG1 ILE A 72 -2.908 9.697 9.526 1.00 0.00 ATOM 575 CG2 ILE A 72 -5.135 8.693 8.896 1.00 0.00 ATOM 576 CD1 ILE A 72 -2.002 8.609 8.977 1.00 0.00 ATOM 577 O ILE A 72 -6.627 9.117 12.017 1.00 0.00 ATOM 578 C ILE A 72 -6.376 9.851 11.062 1.00 0.00 ATOM 579 N ARG A 73 -7.313 10.327 10.250 1.00 0.00 ATOM 580 CA ARG A 73 -8.714 9.949 10.393 1.00 0.00 ATOM 581 CB ARG A 73 -9.559 11.113 10.893 1.00 0.00 ATOM 582 CG ARG A 73 -9.607 12.360 10.021 1.00 0.00 ATOM 583 CD ARG A 73 -10.223 13.488 10.846 1.00 0.00 ATOM 584 NE ARG A 73 -11.493 13.050 11.414 1.00 0.00 ATOM 585 CZ ARG A 73 -11.983 13.459 12.581 1.00 0.00 ATOM 586 NH1 ARG A 73 -11.308 14.336 13.321 1.00 0.00 ATOM 587 NH2 ARG A 73 -13.136 12.961 13.014 1.00 0.00 ATOM 588 O ARG A 73 -8.722 9.703 7.977 1.00 0.00 ATOM 589 C ARG A 73 -9.224 9.411 9.063 1.00 0.00 ATOM 590 N THR A 74 -10.222 8.565 9.100 1.00 0.00 ATOM 591 CA THR A 74 -10.845 8.014 7.918 1.00 0.00 ATOM 592 CB THR A 74 -11.999 7.148 8.216 1.00 0.00 ATOM 593 CG2 THR A 74 -12.559 6.529 6.924 1.00 0.00 ATOM 594 OG1 THR A 74 -11.549 6.116 9.072 1.00 0.00 ATOM 595 O THR A 74 -11.293 9.113 5.820 1.00 0.00 ATOM 596 C THR A 74 -11.429 9.132 7.040 1.00 0.00 ATOM 597 N ASP A 75 -12.103 10.097 7.661 1.00 0.00 ATOM 598 CA ASP A 75 -12.677 11.189 6.874 1.00 0.00 ATOM 599 CB ASP A 75 -13.518 12.122 7.755 1.00 0.00 ATOM 600 CG ASP A 75 -14.736 11.433 8.338 1.00 0.00 ATOM 601 OD1 ASP A 75 -15.153 10.388 7.793 1.00 0.00 ATOM 602 OD2 ASP A 75 -15.284 11.948 9.342 1.00 0.00 ATOM 603 O ASP A 75 -11.700 12.316 4.979 1.00 0.00 ATOM 604 C ASP A 75 -11.591 11.996 6.167 1.00 0.00 ATOM 605 N THR A 76 -10.496 12.247 6.873 1.00 0.00 ATOM 606 CA THR A 76 -9.427 12.994 6.259 1.00 0.00 ATOM 607 CB THR A 76 -8.415 13.444 7.315 1.00 0.00 ATOM 608 CG2 THR A 76 -7.124 13.964 6.677 1.00 0.00 ATOM 609 OG1 THR A 76 -9.013 14.521 8.056 1.00 0.00 ATOM 610 O THR A 76 -8.738 12.744 3.959 1.00 0.00 ATOM 611 C THR A 76 -8.824 12.223 5.076 1.00 0.00 ATOM 612 N ALA A 77 -8.548 10.945 5.276 1.00 0.00 ATOM 613 CA ALA A 77 -7.979 10.126 4.216 1.00 0.00 ATOM 614 CB ALA A 77 -7.505 8.812 4.835 1.00 0.00 ATOM 615 O ALA A 77 -8.449 9.640 1.912 1.00 0.00 ATOM 616 C ALA A 77 -8.906 9.880 3.027 1.00 0.00 ATOM 617 N THR A 78 -10.212 9.972 3.268 1.00 0.00 ATOM 618 CA THR A 78 -11.189 9.726 2.217 1.00 0.00 ATOM 619 CB THR A 78 -12.433 8.928 2.736 1.00 0.00 ATOM 620 CG2 THR A 78 -12.010 7.691 3.502 1.00 0.00 ATOM 621 OG1 THR A 78 -13.223 9.775 3.584 1.00 0.00 ATOM 622 O THR A 78 -12.398 10.870 0.488 1.00 0.00 ATOM 623 C THR A 78 -11.701 10.978 1.494 1.00 0.00 ATOM 624 N ARG A 79 -11.370 12.163 2.016 1.00 0.00 ATOM 625 CA ARG A 79 -11.846 13.398 1.425 1.00 0.00 ATOM 626 CB ARG A 79 -11.344 14.609 2.232 1.00 0.00 ATOM 627 CG ARG A 79 -11.678 15.922 1.547 1.00 0.00 ATOM 628 CD ARG A 79 -11.593 17.124 2.472 1.00 0.00 ATOM 629 NE ARG A 79 -12.195 18.278 1.813 1.00 0.00 ATOM 630 CZ ARG A 79 -12.596 19.381 2.428 1.00 0.00 ATOM 631 NH1 ARG A 79 -12.460 19.505 3.744 1.00 0.00 ATOM 632 NH2 ARG A 79 -13.155 20.352 1.721 1.00 0.00 ATOM 633 O ARG A 79 -12.108 13.895 -0.890 1.00 0.00 ATOM 634 C ARG A 79 -11.333 13.556 0.002 1.00 0.00 ATOM 635 N LEU A 80 -10.066 13.251 -0.245 1.00 0.00 ATOM 636 CA LEU A 80 -9.506 13.391 -1.600 1.00 0.00 ATOM 637 CB LEU A 80 -8.077 13.152 -1.696 1.00 0.00 ATOM 638 CG LEU A 80 -7.276 14.417 -2.014 1.00 0.00 ATOM 639 CD1 LEU A 80 -7.956 15.666 -1.448 1.00 0.00 ATOM 640 CD2 LEU A 80 -5.875 14.254 -1.454 1.00 0.00 ATOM 641 O LEU A 80 -10.447 12.776 -3.737 1.00 0.00 ATOM 642 C LEU A 80 -10.100 12.397 -2.607 1.00 0.00 ATOM 643 N GLU A 81 -10.237 11.137 -2.189 1.00 0.00 ATOM 644 CA GLU A 81 -10.809 10.089 -3.041 1.00 0.00 ATOM 645 CB GLU A 81 -10.877 8.769 -2.288 1.00 0.00 ATOM 646 CG GLU A 81 -9.522 8.290 -1.781 1.00 0.00 ATOM 647 CD GLU A 81 -9.602 7.015 -0.961 1.00 0.00 ATOM 648 OE1 GLU A 81 -8.575 6.633 -0.358 1.00 0.00 ATOM 649 OE2 GLU A 81 -10.681 6.387 -0.922 1.00 0.00 ATOM 650 O GLU A 81 -12.605 10.399 -4.580 1.00 0.00 ATOM 651 C GLU A 81 -12.240 10.422 -3.410 1.00 0.00 ATOM 652 N HIS A 82 -13.036 10.792 -2.430 1.00 0.00 ATOM 653 CA HIS A 82 -14.438 11.113 -2.672 1.00 0.00 ATOM 654 CB HIS A 82 -15.168 11.177 -1.290 1.00 0.00 ATOM 655 CG HIS A 82 -16.586 11.651 -1.365 1.00 0.00 ATOM 656 CD2 HIS A 82 -17.116 12.893 -1.258 1.00 0.00 ATOM 657 ND1 HIS A 82 -17.644 10.800 -1.590 1.00 0.00 ATOM 658 CE1 HIS A 82 -18.767 11.496 -1.622 1.00 0.00 ATOM 659 NE2 HIS A 82 -18.474 12.769 -1.424 1.00 0.00 ATOM 660 O HIS A 82 -15.435 12.477 -4.432 1.00 0.00 ATOM 661 C HIS A 82 -14.592 12.398 -3.546 1.00 0.00 ATOM 662 N HIS A 83 -13.775 13.395 -3.282 1.00 0.00 ATOM 663 CA HIS A 83 -13.811 14.662 -4.022 1.00 0.00 ATOM 664 CB HIS A 83 -12.871 15.680 -3.355 1.00 0.00 ATOM 665 CG HIS A 83 -13.076 17.081 -3.826 1.00 0.00 ATOM 666 CD2 HIS A 83 -13.899 18.059 -3.387 1.00 0.00 ATOM 667 ND1 HIS A 83 -12.407 17.600 -4.910 1.00 0.00 ATOM 668 CE1 HIS A 83 -12.796 18.845 -5.112 1.00 0.00 ATOM 669 NE2 HIS A 83 -13.694 19.150 -4.197 1.00 0.00 ATOM 670 O HIS A 83 -14.136 14.946 -6.387 1.00 0.00 ATOM 671 C HIS A 83 -13.458 14.439 -5.483 1.00 0.00 ATOM 672 N HIS A 84 -12.493 13.566 -5.735 1.00 0.00 ATOM 673 CA HIS A 84 -12.081 13.269 -7.105 1.00 0.00 ATOM 674 CB HIS A 84 -10.940 12.319 -7.161 1.00 0.00 ATOM 675 CG HIS A 84 -10.574 11.882 -8.546 1.00 0.00 ATOM 676 CD2 HIS A 84 -10.609 10.662 -9.133 1.00 0.00 ATOM 677 ND1 HIS A 84 -10.100 12.755 -9.502 1.00 0.00 ATOM 678 CE1 HIS A 84 -9.854 12.090 -10.618 1.00 0.00 ATOM 679 NE2 HIS A 84 -10.157 10.820 -10.421 1.00 0.00 ATOM 680 O HIS A 84 -13.464 12.898 -9.046 1.00 0.00 ATOM 681 C HIS A 84 -13.207 12.583 -7.879 1.00 0.00 ATOM 682 N HIS A 85 -13.854 11.613 -7.235 1.00 0.00 ATOM 683 CA HIS A 85 -14.947 10.867 -7.862 1.00 0.00 ATOM 684 CB HIS A 85 -15.298 9.637 -7.030 1.00 0.00 ATOM 685 CG HIS A 85 -14.524 8.421 -7.411 1.00 0.00 ATOM 686 CD2 HIS A 85 -13.252 8.053 -7.140 1.00 0.00 ATOM 687 ND1 HIS A 85 -15.079 7.389 -8.136 1.00 0.00 ATOM 688 CE1 HIS A 85 -14.172 6.436 -8.301 1.00 0.00 ATOM 689 NE2 HIS A 85 -13.058 6.812 -7.700 1.00 0.00 ATOM 690 O HIS A 85 -16.815 11.585 -9.146 1.00 0.00 ATOM 691 C HIS A 85 -16.191 11.725 -8.102 1.00 0.00 ATOM 692 N HIS A 86 -16.500 12.635 -7.187 1.00 0.00 ATOM 693 CA HIS A 86 -17.577 13.616 -7.384 1.00 0.00 ATOM 694 CB HIS A 86 -17.812 14.399 -6.081 1.00 0.00 ATOM 695 CG HIS A 86 -19.087 15.172 -6.070 1.00 0.00 ATOM 696 CD2 HIS A 86 -20.338 14.829 -5.690 1.00 0.00 ATOM 697 ND1 HIS A 86 -19.166 16.468 -6.531 1.00 0.00 ATOM 698 CE1 HIS A 86 -20.412 16.894 -6.422 1.00 0.00 ATOM 699 NE2 HIS A 86 -21.139 15.923 -5.907 1.00 0.00 ATOM 700 O HIS A 86 -18.136 14.840 -9.376 1.00 0.00 ATOM 701 C HIS A 86 -17.265 14.530 -8.555 1.00 0.00 ATOM 702 N HIS A 87 -16.000 14.908 -8.684 1.00 0.00 ATOM 703 CA HIS A 87 -15.601 15.777 -9.790 1.00 0.00 ATOM 704 CB HIS A 87 -14.779 16.952 -9.253 1.00 0.00 ATOM 705 CG HIS A 87 -15.545 17.869 -8.353 1.00 0.00 ATOM 706 CD2 HIS A 87 -15.517 18.022 -7.007 1.00 0.00 ATOM 707 ND1 HIS A 87 -16.491 18.755 -8.820 1.00 0.00 ATOM 708 CE1 HIS A 87 -17.014 19.413 -7.802 1.00 0.00 ATOM 709 NE2 HIS A 87 -16.441 18.989 -6.690 1.00 0.00 ATOM 710 O HIS A 87 -14.773 15.509 -12.026 1.00 0.00 ATOM 711 C HIS A 87 -14.777 15.085 -10.871 1.00 0.00 ENDMDL EXPDTA 2hjjA MODEL 2 REMARK 44 REMARK 44 model 2 is called 2hjjA ATOM 1 N GLY 10 11.624 3.342 4.919 1.00 0.00 ATOM 2 CA GLY 10 10.677 4.415 5.181 1.00 0.00 ATOM 3 O GLY 10 8.707 3.661 4.057 1.00 0.00 ATOM 4 C GLY 10 9.589 4.518 4.125 1.00 0.00 ATOM 5 N PRO 11 9.608 5.581 3.301 1.00 0.00 ATOM 6 CA PRO 11 8.653 5.743 2.211 1.00 0.00 ATOM 7 CB PRO 11 8.792 7.215 1.825 1.00 0.00 ATOM 8 CG PRO 11 10.169 7.607 2.238 1.00 0.00 ATOM 9 CD PRO 11 10.555 6.708 3.383 1.00 0.00 ATOM 10 O PRO 11 10.009 4.166 0.998 1.00 0.00 ATOM 11 C PRO 11 8.978 4.843 1.022 1.00 0.00 ATOM 12 N PHE 12 8.105 4.847 0.031 1.00 0.00 ATOM 13 CA PHE 12 8.274 3.995 -1.138 1.00 0.00 ATOM 14 CB PHE 12 7.217 2.886 -1.153 1.00 0.00 ATOM 15 CG PHE 12 5.790 3.367 -1.064 1.00 0.00 ATOM 16 CD1 PHE 12 5.265 3.800 0.142 1.00 0.00 ATOM 17 CD2 PHE 12 4.969 3.363 -2.179 1.00 0.00 ATOM 18 CE1 PHE 12 3.955 4.216 0.236 1.00 0.00 ATOM 19 CE2 PHE 12 3.654 3.782 -2.089 1.00 0.00 ATOM 20 CZ PHE 12 3.149 4.209 -0.879 1.00 0.00 ATOM 21 O PHE 12 8.119 6.031 -2.392 1.00 0.00 ATOM 22 C PHE 12 8.202 4.807 -2.422 1.00 0.00 ATOM 23 N THR 13 8.244 4.113 -3.545 1.00 0.00 ATOM 24 CA THR 13 8.156 4.748 -4.847 1.00 0.00 ATOM 25 CB THR 13 9.447 4.536 -5.666 1.00 0.00 ATOM 26 CG2 THR 13 10.666 4.967 -4.870 1.00 0.00 ATOM 27 OG1 THR 13 9.588 3.153 -6.025 1.00 0.00 ATOM 28 O THR 13 6.373 3.190 -5.199 1.00 0.00 ATOM 29 C THR 13 6.978 4.177 -5.623 1.00 0.00 ATOM 30 N ARG 14 6.655 4.799 -6.748 1.00 0.00 ATOM 31 CA ARG 14 5.606 4.304 -7.630 1.00 0.00 ATOM 32 CB ARG 14 5.461 5.241 -8.825 1.00 0.00 ATOM 33 CG ARG 14 4.090 5.194 -9.486 1.00 0.00 ATOM 34 CD ARG 14 3.871 6.392 -10.400 1.00 0.00 ATOM 35 NE ARG 14 2.602 6.311 -11.126 1.00 0.00 ATOM 36 CZ ARG 14 1.484 6.941 -10.760 1.00 0.00 ATOM 37 NH1 ARG 14 1.464 7.703 -9.674 1.00 0.00 ATOM 38 NH2 ARG 14 0.386 6.833 -11.495 1.00 0.00 ATOM 39 O ARG 14 5.069 2.032 -8.205 1.00 0.00 ATOM 40 C ARG 14 5.940 2.894 -8.104 1.00 0.00 ATOM 41 N ARG 15 7.217 2.672 -8.394 1.00 0.00 ATOM 42 CA ARG 15 7.694 1.360 -8.806 1.00 0.00 ATOM 43 CB ARG 15 9.147 1.430 -9.269 1.00 0.00 ATOM 44 CG ARG 15 9.400 2.405 -10.406 1.00 0.00 ATOM 45 CD ARG 15 10.689 2.073 -11.140 1.00 0.00 ATOM 46 NE ARG 15 11.803 1.809 -10.226 1.00 0.00 ATOM 47 CZ ARG 15 13.055 1.576 -10.624 1.00 0.00 ATOM 48 NH1 ARG 15 13.368 1.615 -11.913 1.00 0.00 ATOM 49 NH2 ARG 15 13.996 1.298 -9.730 1.00 0.00 ATOM 50 O ARG 15 6.997 -0.723 -7.845 1.00 0.00 ATOM 51 C ARG 15 7.574 0.349 -7.668 1.00 0.00 ATOM 52 N GLN 16 8.120 0.699 -6.502 1.00 0.00 ATOM 53 CA GLN 16 8.069 -0.181 -5.334 1.00 0.00 ATOM 54 CB GLN 16 8.724 0.485 -4.125 1.00 0.00 ATOM 55 CG GLN 16 10.243 0.417 -4.122 1.00 0.00 ATOM 56 CD GLN 16 10.754 -0.988 -3.867 1.00 0.00 ATOM 57 OE1 GLN 16 10.104 -1.783 -3.192 1.00 0.00 ATOM 58 NE2 GLN 16 11.929 -1.300 -4.387 1.00 0.00 ATOM 59 O GLN 16 6.323 -1.721 -4.799 1.00 0.00 ATOM 60 C GLN 16 6.633 -0.551 -4.997 1.00 0.00 ATOM 61 N ALA 17 5.763 0.457 -4.951 1.00 0.00 ATOM 62 CA ALA 17 4.338 0.242 -4.683 1.00 0.00 ATOM 63 CB ALA 17 3.560 1.531 -4.901 1.00 0.00 ATOM 64 O ALA 17 3.158 -1.817 -5.082 1.00 0.00 ATOM 65 C ALA 17 3.776 -0.864 -5.570 1.00 0.00 ATOM 66 N GLN 18 4.021 -0.746 -6.870 1.00 0.00 ATOM 67 CA GLN 18 3.562 -1.731 -7.836 1.00 0.00 ATOM 68 CB GLN 18 4.070 -1.371 -9.226 1.00 0.00 ATOM 69 CG GLN 18 3.352 -0.190 -9.856 1.00 0.00 ATOM 70 CD GLN 18 3.994 0.254 -11.155 1.00 0.00 ATOM 71 OE1 GLN 18 3.651 -0.232 -12.233 1.00 0.00 ATOM 72 NE2 GLN 18 4.938 1.177 -11.060 1.00 0.00 ATOM 73 O GLN 18 3.274 -4.092 -7.576 1.00 0.00 ATOM 74 C GLN 18 4.031 -3.133 -7.468 1.00 0.00 ATOM 75 N ALA 19 5.268 -3.242 -7.005 1.00 0.00 ATOM 76 CA ALA 19 5.861 -4.533 -6.680 1.00 0.00 ATOM 77 CB ALA 19 7.363 -4.387 -6.488 1.00 0.00 ATOM 78 O ALA 19 5.168 -6.376 -5.301 1.00 0.00 ATOM 79 C ALA 19 5.226 -5.150 -5.437 1.00 0.00 ATOM 80 N VAL 20 4.686 -4.310 -4.561 1.00 0.00 ATOM 81 CA VAL 20 4.181 -4.788 -3.285 1.00 0.00 ATOM 82 CB VAL 20 4.286 -3.718 -2.171 1.00 0.00 ATOM 83 CG1 VAL 20 3.988 -4.323 -0.808 1.00 0.00 ATOM 84 CG2 VAL 20 5.659 -3.066 -2.167 1.00 0.00 ATOM 85 O VAL 20 2.166 -5.965 -2.749 1.00 0.00 ATOM 86 C VAL 20 2.736 -5.164 -3.481 1.00 0.00 ATOM 87 N THR 21 2.185 -4.621 -4.546 1.00 0.00 ATOM 88 CA THR 21 0.791 -4.781 -4.855 1.00 0.00 ATOM 89 CB THR 21 0.229 -3.479 -5.428 1.00 0.00 ATOM 90 CG2 THR 21 -1.266 -3.542 -5.471 1.00 0.00 ATOM 91 OG1 THR 21 0.625 -2.372 -4.607 1.00 0.00 ATOM 92 O THR 21 -0.381 -6.584 -5.932 1.00 0.00 ATOM 93 C THR 21 0.644 -5.907 -5.858 1.00 0.00 ATOM 94 N THR 22 1.696 -6.084 -6.636 1.00 0.00 ATOM 95 CA THR 22 1.846 -7.250 -7.469 1.00 0.00 ATOM 96 CB THR 22 3.106 -7.115 -8.342 1.00 0.00 ATOM 97 CG2 THR 22 3.445 -8.418 -9.032 1.00 0.00 ATOM 98 OG1 THR 22 2.916 -6.077 -9.312 1.00 0.00 ATOM 99 O THR 22 1.406 -9.545 -6.893 1.00 0.00 ATOM 100 C THR 22 1.946 -8.483 -6.581 1.00 0.00 ATOM 101 N THR 23 2.633 -8.319 -5.457 1.00 0.00 ATOM 102 CA THR 23 2.733 -9.373 -4.472 1.00 0.00 ATOM 103 CB THR 23 3.912 -9.124 -3.518 1.00 0.00 ATOM 104 CG2 THR 23 4.103 -10.297 -2.565 1.00 0.00 ATOM 105 OG1 THR 23 5.109 -8.929 -4.281 1.00 0.00 ATOM 106 O THR 23 0.815 -10.558 -3.649 1.00 0.00 ATOM 107 C THR 23 1.432 -9.494 -3.678 1.00 0.00 ATOM 108 N TYR 24 0.999 -8.409 -3.047 1.00 0.00 ATOM 109 CA TYR 24 -0.206 -8.446 -2.262 1.00 0.00 ATOM 110 CB TYR 24 0.052 -7.808 -0.894 1.00 0.00 ATOM 111 CG TYR 24 1.234 -8.413 -0.165 1.00 0.00 ATOM 112 CD1 TYR 24 1.130 -9.630 0.491 1.00 0.00 ATOM 113 CD2 TYR 24 2.463 -7.764 -0.152 1.00 0.00 ATOM 114 CE1 TYR 24 2.220 -10.187 1.136 1.00 0.00 ATOM 115 CE2 TYR 24 3.554 -8.311 0.494 1.00 0.00 ATOM 116 CZ TYR 24 3.429 -9.522 1.137 1.00 0.00 ATOM 117 OH TYR 24 4.520 -10.080 1.769 1.00 0.00 ATOM 118 O TYR 24 -1.386 -6.502 -3.027 1.00 0.00 ATOM 119 C TYR 24 -1.321 -7.727 -3.012 1.00 0.00 ATOM 120 N SER 25 -2.178 -8.501 -3.660 1.00 0.00 ATOM 121 CA SER 25 -3.278 -7.957 -4.447 1.00 0.00 ATOM 122 CB SER 25 -3.882 -9.069 -5.299 1.00 0.00 ATOM 123 OG SER 25 -3.982 -10.271 -4.550 1.00 0.00 ATOM 124 O SER 25 -5.313 -6.741 -4.029 1.00 0.00 ATOM 125 C SER 25 -4.341 -7.332 -3.551 1.00 0.00 ATOM 126 N ASN 26 -4.147 -7.467 -2.248 1.00 0.00 ATOM 127 CA ASN 26 -5.030 -6.854 -1.277 1.00 0.00 ATOM 128 CB ASN 26 -4.990 -7.620 0.051 1.00 0.00 ATOM 129 CG ASN 26 -3.638 -7.549 0.741 1.00 0.00 ATOM 130 ND2 ASN 26 -3.528 -6.698 1.748 1.00 0.00 ATOM 131 OD1 ASN 26 -2.715 -8.287 0.398 1.00 0.00 ATOM 132 O ASN 26 -5.333 -4.648 -0.400 1.00 0.00 ATOM 133 C ASN 26 -4.639 -5.396 -1.076 1.00 0.00 ATOM 134 N ILE 27 -3.519 -4.999 -1.670 1.00 0.00 ATOM 135 CA ILE 27 -3.116 -3.603 -1.670 1.00 0.00 ATOM 136 CB ILE 27 -1.577 -3.436 -1.692 1.00 0.00 ATOM 137 CG1 ILE 27 -0.881 -4.521 -0.861 1.00 0.00 ATOM 138 CG2 ILE 27 -1.186 -2.048 -1.198 1.00 0.00 ATOM 139 CD1 ILE 27 0.577 -4.230 -0.578 1.00 0.00 ATOM 140 O ILE 27 -4.057 -3.610 -3.868 1.00 0.00 ATOM 141 C ILE 27 -3.705 -2.930 -2.906 1.00 0.00 ATOM 142 N THR 28 -3.831 -1.610 -2.887 1.00 0.00 ATOM 143 CA THR 28 -4.363 -0.891 -4.035 1.00 0.00 ATOM 144 CB THR 28 -5.906 -0.884 -4.036 1.00 0.00 ATOM 145 CG2 THR 28 -6.444 -1.828 -5.099 1.00 0.00 ATOM 146 OG1 THR 28 -6.410 -1.268 -2.744 1.00 0.00 ATOM 147 O THR 28 -3.788 1.222 -3.066 1.00 0.00 ATOM 148 C THR 28 -3.840 0.538 -4.084 1.00 0.00 ATOM 149 N LEU 29 -3.435 0.976 -5.266 1.00 0.00 ATOM 150 CA LEU 29 -2.913 2.323 -5.441 1.00 0.00 ATOM 151 CB LEU 29 -1.832 2.327 -6.534 1.00 0.00 ATOM 152 CG LEU 29 -0.954 3.585 -6.620 1.00 0.00 ATOM 153 CD1 LEU 29 0.324 3.281 -7.379 1.00 0.00 ATOM 154 CD2 LEU 29 -1.690 4.726 -7.305 1.00 0.00 ATOM 155 O LEU 29 -4.618 3.197 -6.887 1.00 0.00 ATOM 156 C LEU 29 -4.051 3.274 -5.796 1.00 0.00 ATOM 157 N GLU 30 -4.399 4.153 -4.867 1.00 0.00 ATOM 158 CA GLU 30 -5.463 5.121 -5.096 1.00 0.00 ATOM 159 CB GLU 30 -6.728 4.746 -4.313 1.00 0.00 ATOM 160 CG GLU 30 -7.238 3.346 -4.617 1.00 0.00 ATOM 161 CD GLU 30 -8.667 3.132 -4.172 1.00 0.00 ATOM 162 OE1 GLU 30 -8.911 3.040 -2.957 1.00 0.00 ATOM 163 OE2 GLU 30 -9.557 3.041 -5.047 1.00 0.00 ATOM 164 O GLU 30 -3.880 6.692 -4.222 1.00 0.00 ATOM 165 C GLU 30 -5.001 6.519 -4.707 1.00 0.00 ATOM 166 N ASP 31 -5.869 7.505 -4.936 1.00 0.00 ATOM 167 CA ASP 31 -5.565 8.909 -4.641 1.00 0.00 ATOM 168 CB ASP 31 -5.288 9.115 -3.148 1.00 0.00 ATOM 169 CG ASP 31 -6.551 9.082 -2.311 1.00 0.00 ATOM 170 OD1 ASP 31 -7.286 10.089 -2.306 1.00 0.00 ATOM 171 OD2 ASP 31 -6.804 8.059 -1.636 1.00 0.00 ATOM 172 O ASP 31 -3.641 10.283 -5.044 1.00 0.00 ATOM 173 C ASP 31 -4.381 9.392 -5.463 1.00 0.00 ATOM 174 N ASP 32 -4.238 8.823 -6.652 1.00 0.00 ATOM 175 CA ASP 32 -3.101 9.112 -7.516 1.00 0.00 ATOM 176 CB ASP 32 -3.010 8.083 -8.642 1.00 0.00 ATOM 177 CG ASP 32 -1.849 8.347 -9.581 1.00 0.00 ATOM 178 OD1 ASP 32 -1.954 7.990 -10.772 1.00 0.00 ATOM 179 OD2 ASP 32 -0.824 8.905 -9.133 1.00 0.00 ATOM 180 O ASP 32 -4.163 10.884 -8.750 1.00 0.00 ATOM 181 C ASP 32 -3.181 10.516 -8.097 1.00 0.00 ATOM 182 N GLN 33 -2.142 11.288 -7.836 1.00 0.00 ATOM 183 CA GLN 33 -2.023 12.650 -8.330 1.00 0.00 ATOM 184 CB GLN 33 -2.293 13.630 -7.179 1.00 0.00 ATOM 185 CG GLN 33 -2.352 15.096 -7.586 1.00 0.00 ATOM 186 CD GLN 33 -2.453 16.021 -6.388 1.00 0.00 ATOM 187 OE1 GLN 33 -1.439 16.447 -5.830 1.00 0.00 ATOM 188 NE2 GLN 33 -3.672 16.341 -5.985 1.00 0.00 ATOM 189 O GLN 33 -0.145 13.977 -9.077 1.00 0.00 ATOM 190 C GLN 33 -0.616 12.853 -8.902 1.00 0.00 ATOM 191 N GLY 34 0.054 11.744 -9.193 1.00 0.00 ATOM 192 CA GLY 34 1.415 11.803 -9.690 1.00 0.00 ATOM 193 O GLY 34 2.660 10.022 -8.691 1.00 0.00 ATOM 194 C GLY 34 2.400 11.224 -8.695 1.00 0.00 ATOM 195 N SER 35 2.946 12.077 -7.844 1.00 0.00 ATOM 196 CA SER 35 3.815 11.621 -6.772 1.00 0.00 ATOM 197 CB SER 35 5.032 12.539 -6.631 1.00 0.00 ATOM 198 OG SER 35 5.996 11.985 -5.748 1.00 0.00 ATOM 199 O SER 35 3.430 10.984 -4.484 1.00 0.00 ATOM 200 C SER 35 3.018 11.585 -5.475 1.00 0.00 ATOM 201 N HIS 36 1.867 12.245 -5.495 1.00 0.00 ATOM 202 CA HIS 36 0.947 12.215 -4.371 1.00 0.00 ATOM 203 CB HIS 36 0.217 13.553 -4.211 1.00 0.00 ATOM 204 CG HIS 36 1.114 14.708 -3.891 1.00 0.00 ATOM 205 CD2 HIS 36 2.245 14.772 -3.155 1.00 0.00 ATOM 206 ND1 HIS 36 0.869 15.990 -4.325 1.00 0.00 ATOM 207 CE1 HIS 36 1.811 16.794 -3.868 1.00 0.00 ATOM 208 NE2 HIS 36 2.662 16.081 -3.150 1.00 0.00 ATOM 209 O HIS 36 -0.928 11.208 -5.442 1.00 0.00 ATOM 210 C HIS 36 -0.067 11.107 -4.579 1.00 0.00 ATOM 211 N PHE 37 0.065 10.043 -3.810 1.00 0.00 ATOM 212 CA PHE 37 -0.847 8.911 -3.884 1.00 0.00 ATOM 213 CB PHE 37 -0.595 8.064 -5.146 1.00 0.00 ATOM 214 CG PHE 37 0.772 7.440 -5.226 1.00 0.00 ATOM 215 CD1 PHE 37 0.995 6.162 -4.737 1.00 0.00 ATOM 216 CD2 PHE 37 1.829 8.126 -5.802 1.00 0.00 ATOM 217 CE1 PHE 37 2.246 5.583 -4.818 1.00 0.00 ATOM 218 CE2 PHE 37 3.083 7.553 -5.885 1.00 0.00 ATOM 219 CZ PHE 37 3.291 6.279 -5.393 1.00 0.00 ATOM 220 O PHE 37 0.326 8.193 -1.933 1.00 0.00 ATOM 221 C PHE 37 -0.679 8.063 -2.638 1.00 0.00 ATOM 222 N ARG 38 -1.649 7.214 -2.351 1.00 0.00 ATOM 223 CA ARG 38 -1.558 6.360 -1.178 1.00 0.00 ATOM 224 CB ARG 38 -2.321 6.966 0.006 1.00 0.00 ATOM 225 CG ARG 38 -3.775 7.302 -0.263 1.00 0.00 ATOM 226 CD ARG 38 -4.407 7.930 0.969 1.00 0.00 ATOM 227 NE ARG 38 -5.731 8.482 0.700 1.00 0.00 ATOM 228 CZ ARG 38 -6.381 9.297 1.532 1.00 0.00 ATOM 229 NH1 ARG 38 -5.827 9.654 2.688 1.00 0.00 ATOM 230 NH2 ARG 38 -7.579 9.763 1.199 1.00 0.00 ATOM 231 O ARG 38 -2.951 4.737 -2.272 1.00 0.00 ATOM 232 C ARG 38 -2.040 4.950 -1.468 1.00 0.00 ATOM 233 N LEU 39 -1.409 3.989 -0.813 1.00 0.00 ATOM 234 CA LEU 39 -1.761 2.597 -0.987 1.00 0.00 ATOM 235 CB LEU 39 -0.534 1.697 -0.871 1.00 0.00 ATOM 236 CG LEU 39 0.538 1.918 -1.931 1.00 0.00 ATOM 237 CD1 LEU 39 1.744 1.043 -1.640 1.00 0.00 ATOM 238 CD2 LEU 39 -0.009 1.623 -3.319 1.00 0.00 ATOM 239 O LEU 39 -2.616 2.388 1.244 1.00 0.00 ATOM 240 C LEU 39 -2.796 2.191 0.039 1.00 0.00 ATOM 241 N VAL 40 -3.883 1.645 -0.449 1.00 0.00 ATOM 242 CA VAL 40 -4.952 1.180 0.405 1.00 0.00 ATOM 243 CB VAL 40 -6.338 1.463 -0.210 1.00 0.00 ATOM 244 CG1 VAL 40 -7.439 1.106 0.774 1.00 0.00 ATOM 245 CG2 VAL 40 -6.451 2.918 -0.637 1.00 0.00 ATOM 246 O VAL 40 -4.973 -1.123 -0.261 1.00 0.00 ATOM 247 C VAL 40 -4.805 -0.312 0.654 1.00 0.00 ATOM 248 N VAL 41 -4.451 -0.661 1.878 1.00 0.00 ATOM 249 CA VAL 41 -4.358 -2.048 2.283 1.00 0.00 ATOM 250 CB VAL 41 -3.443 -2.240 3.512 1.00 0.00 ATOM 251 CG1 VAL 41 -3.422 -3.698 3.922 1.00 0.00 ATOM 252 CG2 VAL 41 -2.030 -1.747 3.233 1.00 0.00 ATOM 253 O VAL 41 -6.391 -2.105 3.564 1.00 0.00 ATOM 254 C VAL 41 -5.746 -2.574 2.620 1.00 0.00 ATOM 255 N ARG 42 -6.207 -3.520 1.829 1.00 0.00 ATOM 256 CA ARG 42 -7.496 -4.148 2.046 1.00 0.00 ATOM 257 CB ARG 42 -8.278 -4.199 0.735 1.00 0.00 ATOM 258 CG ARG 42 -8.705 -2.836 0.221 1.00 0.00 ATOM 259 CD ARG 42 -9.085 -2.903 -1.246 1.00 0.00 ATOM 260 NE ARG 42 -10.231 -2.054 -1.561 1.00 0.00 ATOM 261 CZ ARG 42 -10.252 -1.172 -2.558 1.00 0.00 ATOM 262 NH1 ARG 42 -9.152 -0.918 -3.252 1.00 0.00 ATOM 263 NH2 ARG 42 -11.374 -0.529 -2.843 1.00 0.00 ATOM 264 O ARG 42 -6.184 -6.047 2.687 1.00 0.00 ATOM 265 C ARG 42 -7.310 -5.552 2.597 1.00 0.00 ATOM 266 N ASP 43 -8.410 -6.183 2.974 1.00 0.00 ATOM 267 CA ASP 43 -8.372 -7.553 3.472 1.00 0.00 ATOM 268 CB ASP 43 -9.387 -7.756 4.606 1.00 0.00 ATOM 269 CG ASP 43 -10.783 -8.059 4.093 1.00 0.00 ATOM 270 OD1 ASP 43 -11.394 -7.177 3.469 1.00 0.00 ATOM 271 OD2 ASP 43 -11.252 -9.204 4.281 1.00 0.00 ATOM 272 O ASP 43 -8.722 -8.138 1.169 1.00 0.00 ATOM 273 C ASP 43 -8.674 -8.527 2.338 1.00 0.00 ATOM 274 N THR 44 -8.917 -9.783 2.701 1.00 0.00 ATOM 275 CA THR 44 -9.200 -10.833 1.734 1.00 0.00 ATOM 276 CB THR 44 -9.373 -12.193 2.440 1.00 0.00 ATOM 277 CG2 THR 44 -8.028 -12.778 2.839 1.00 0.00 ATOM 278 OG1 THR 44 -10.192 -12.039 3.611 1.00 0.00 ATOM 279 O THR 44 -10.591 -10.968 -0.221 1.00 0.00 ATOM 280 C THR 44 -10.454 -10.523 0.919 1.00 0.00 ATOM 281 N GLU 45 -11.359 -9.750 1.504 1.00 0.00 ATOM 282 CA GLU 45 -12.595 -9.392 0.838 1.00 0.00 ATOM 283 CB GLU 45 -13.723 -9.267 1.861 1.00 0.00 ATOM 284 CG GLU 45 -15.071 -8.940 1.242 1.00 0.00 ATOM 285 CD GLU 45 -16.210 -9.039 2.231 1.00 0.00 ATOM 286 OE1 GLU 45 -16.554 -8.017 2.861 1.00 0.00 ATOM 287 OE2 GLU 45 -16.772 -10.144 2.376 1.00 0.00 ATOM 288 O GLU 45 -13.097 -7.848 -0.928 1.00 0.00 ATOM 289 C GLU 45 -12.426 -8.086 0.076 1.00 0.00 ATOM 290 N GLY 46 -11.516 -7.249 0.548 1.00 0.00 ATOM 291 CA GLY 46 -11.297 -5.969 -0.086 1.00 0.00 ATOM 292 O GLY 46 -12.029 -3.714 0.217 1.00 0.00 ATOM 293 C GLY 46 -11.809 -4.806 0.743 1.00 0.00 ATOM 294 N ARG 47 -11.999 -5.031 2.035 1.00 0.00 ATOM 295 CA ARG 47 -12.406 -3.972 2.936 1.00 0.00 ATOM 296 CB ARG 47 -13.009 -4.560 4.206 1.00 0.00 ATOM 297 CG ARG 47 -14.248 -5.408 3.975 1.00 0.00 ATOM 298 CD ARG 47 -14.819 -5.904 5.292 1.00 0.00 ATOM 299 NE ARG 47 -15.961 -6.794 5.105 1.00 0.00 ATOM 300 CZ ARG 47 -16.939 -6.940 5.995 1.00 0.00 ATOM 301 NH1 ARG 47 -16.969 -6.178 7.083 1.00 0.00 ATOM 302 NH2 ARG 47 -17.899 -7.829 5.787 1.00 0.00 ATOM 303 O ARG 47 -10.092 -3.609 3.427 1.00 0.00 ATOM 304 C ARG 47 -11.207 -3.105 3.296 1.00 0.00 ATOM 305 N MET 48 -11.436 -1.808 3.442 1.00 0.00 ATOM 306 CA MET 48 -10.369 -0.877 3.800 1.00 0.00 ATOM 307 CB MET 48 -10.856 0.573 3.745 1.00 0.00 ATOM 308 CG MET 48 -11.679 0.917 2.514 1.00 0.00 ATOM 309 SD MET 48 -10.755 0.740 0.980 1.00 0.00 ATOM 310 CE MET 48 -11.965 1.323 -0.203 1.00 0.00 ATOM 311 O MET 48 -10.608 -1.004 6.180 1.00 0.00 ATOM 312 C MET 48 -9.868 -1.166 5.210 1.00 0.00 ATOM 313 N VAL 49 -8.624 -1.598 5.326 1.00 0.00 ATOM 314 CA VAL 49 -8.041 -1.860 6.632 1.00 0.00 ATOM 315 CB VAL 49 -7.282 -3.204 6.661 1.00 0.00 ATOM 316 CG1 VAL 49 -6.767 -3.499 8.063 1.00 0.00 ATOM 317 CG2 VAL 49 -8.173 -4.337 6.167 1.00 0.00 ATOM 318 O VAL 49 -7.016 -0.362 8.201 1.00 0.00 ATOM 319 C VAL 49 -7.094 -0.733 7.031 1.00 0.00 ATOM 320 N TRP 50 -6.400 -0.173 6.047 1.00 0.00 ATOM 321 CA TRP 50 -5.382 0.839 6.308 1.00 0.00 ATOM 322 CB TRP 50 -4.213 0.208 7.078 1.00 0.00 ATOM 323 CG TRP 50 -3.057 1.136 7.305 1.00 0.00 ATOM 324 CD1 TRP 50 -1.893 1.182 6.591 1.00 0.00 ATOM 325 CD2 TRP 50 -2.949 2.145 8.313 1.00 0.00 ATOM 326 CE2 TRP 50 -1.697 2.766 8.149 1.00 0.00 ATOM 327 CE3 TRP 50 -3.792 2.585 9.337 1.00 0.00 ATOM 328 NE1 TRP 50 -1.071 2.161 7.092 1.00 0.00 ATOM 329 CZ2 TRP 50 -1.268 3.805 8.971 1.00 0.00 ATOM 330 CZ3 TRP 50 -3.365 3.616 10.152 1.00 0.00 ATOM 331 CH2 TRP 50 -2.113 4.215 9.964 1.00 0.00 ATOM 332 O TRP 50 -4.439 0.736 4.112 1.00 0.00 ATOM 333 C TRP 50 -4.874 1.450 5.007 1.00 0.00 ATOM 334 N ARG 51 -4.932 2.767 4.902 1.00 0.00 ATOM 335 CA ARG 51 -4.385 3.456 3.743 1.00 0.00 ATOM 336 CB ARG 51 -5.488 4.186 2.961 1.00 0.00 ATOM 337 CG ARG 51 -6.263 5.210 3.776 1.00 0.00 ATOM 338 CD ARG 51 -7.258 5.976 2.916 1.00 0.00 ATOM 339 NE ARG 51 -8.332 5.124 2.410 1.00 0.00 ATOM 340 CZ ARG 51 -8.788 5.158 1.154 1.00 0.00 ATOM 341 NH1 ARG 51 -8.237 5.970 0.258 1.00 0.00 ATOM 342 NH2 ARG 51 -9.798 4.375 0.801 1.00 0.00 ATOM 343 O ARG 51 -3.506 5.280 5.039 1.00 0.00 ATOM 344 C ARG 51 -3.291 4.429 4.175 1.00 0.00 ATOM 345 N ALA 52 -2.113 4.289 3.586 1.00 0.00 ATOM 346 CA ALA 52 -0.980 5.136 3.934 1.00 0.00 ATOM 347 CB ALA 52 0.091 4.329 4.655 1.00 0.00 ATOM 348 O ALA 52 -0.380 5.197 1.615 1.00 0.00 ATOM 349 C ALA 52 -0.408 5.801 2.691 1.00 0.00 ATOM 350 N TRP 53 0.030 7.046 2.839 1.00 0.00 ATOM 351 CA TRP 53 0.552 7.813 1.721 1.00 0.00 ATOM 352 CB TRP 53 0.668 9.290 2.081 1.00 0.00 ATOM 353 CG TRP 53 -0.622 9.995 2.180 1.00 0.00 ATOM 354 CD1 TRP 53 -1.231 10.324 3.322 1.00 0.00 ATOM 355 CD2 TRP 53 -1.443 10.486 1.113 1.00 0.00 ATOM 356 CE2 TRP 53 -2.556 11.097 1.708 1.00 0.00 ATOM 357 CE3 TRP 53 -1.350 10.467 -0.281 1.00 0.00 ATOM 358 NE1 TRP 53 -2.401 10.981 3.063 1.00 0.00 ATOM 359 CZ2 TRP 53 -3.574 11.686 0.963 1.00 0.00 ATOM 360 CZ3 TRP 53 -2.359 11.052 -1.024 1.00 0.00 ATOM 361 CH2 TRP 53 -3.458 11.655 -0.400 1.00 0.00 ATOM 362 O TRP 53 2.440 6.331 1.774 1.00 0.00 ATOM 363 C TRP 53 1.911 7.319 1.276 1.00 0.00 ATOM 364 N ASN 54 2.469 8.064 0.348 1.00 0.00 ATOM 365 CA ASN 54 3.743 7.726 -0.270 1.00 0.00 ATOM 366 CB ASN 54 3.670 7.942 -1.787 1.00 0.00 ATOM 367 CG ASN 54 5.028 7.843 -2.454 1.00 0.00 ATOM 368 ND2 ASN 54 5.434 6.632 -2.786 1.00 0.00 ATOM 369 OD1 ASN 54 5.707 8.847 -2.659 1.00 0.00 ATOM 370 O ASN 54 5.939 8.053 0.638 1.00 0.00 ATOM 371 C ASN 54 4.869 8.564 0.316 1.00 0.00 ATOM 372 N PHE 55 4.598 9.849 0.483 1.00 0.00 ATOM 373 CA PHE 55 5.608 10.809 0.911 1.00 0.00 ATOM 374 CB PHE 55 5.236 12.204 0.398 1.00 0.00 ATOM 375 CG PHE 55 3.778 12.530 0.566 1.00 0.00 ATOM 376 CD1 PHE 55 2.893 12.351 -0.487 1.00 0.00 ATOM 377 CD2 PHE 55 3.291 13.005 1.772 1.00 0.00 ATOM 378 CE1 PHE 55 1.552 12.640 -0.338 1.00 0.00 ATOM 379 CE2 PHE 55 1.951 13.297 1.924 1.00 0.00 ATOM 380 CZ PHE 55 1.081 13.115 0.869 1.00 0.00 ATOM 381 O PHE 55 6.444 11.700 2.979 1.00 0.00 ATOM 382 C PHE 55 5.773 10.825 2.429 1.00 0.00 ATOM 383 N GLU 56 5.171 9.854 3.099 1.00 0.00 ATOM 384 CA GLU 56 5.280 9.750 4.546 1.00 0.00 ATOM 385 CB GLU 56 4.169 8.865 5.114 1.00 0.00 ATOM 386 CG GLU 56 2.777 9.438 4.905 1.00 0.00 ATOM 387 CD GLU 56 2.596 10.792 5.560 1.00 0.00 ATOM 388 OE1 GLU 56 2.900 11.817 4.919 1.00 0.00 ATOM 389 OE2 GLU 56 2.142 10.840 6.724 1.00 0.00 ATOM 390 O GLU 56 7.091 8.188 4.385 1.00 0.00 ATOM 391 C GLU 56 6.647 9.202 4.932 1.00 0.00 ATOM 392 N PRO 57 7.323 9.872 5.887 1.00 0.00 ATOM 393 CA PRO 57 8.696 9.549 6.303 1.00 0.00 ATOM 394 CB PRO 57 8.889 10.336 7.610 1.00 0.00 ATOM 395 CG PRO 57 7.551 10.917 7.940 1.00 0.00 ATOM 396 CD PRO 57 6.800 11.015 6.646 1.00 0.00 ATOM 397 O PRO 57 9.985 7.533 6.236 1.00 0.00 ATOM 398 C PRO 57 8.919 8.060 6.543 1.00 0.00 ATOM 399 N ASP 58 7.917 7.390 7.092 1.00 0.00 ATOM 400 CA ASP 58 7.973 5.946 7.262 1.00 0.00 ATOM 401 CB ASP 58 8.410 5.561 8.681 1.00 0.00 ATOM 402 CG ASP 58 9.884 5.805 8.936 1.00 0.00 ATOM 403 OD1 ASP 58 10.710 4.949 8.542 1.00 0.00 ATOM 404 OD2 ASP 58 10.222 6.844 9.545 1.00 0.00 ATOM 405 O ASP 58 5.975 4.758 7.828 1.00 0.00 ATOM 406 C ASP 58 6.620 5.327 6.952 1.00 0.00 ATOM 407 N ALA 59 6.176 5.462 5.705 1.00 0.00 ATOM 408 CA ALA 59 4.912 4.865 5.281 1.00 0.00 ATOM 409 CB ALA 59 4.600 5.257 3.848 1.00 0.00 ATOM 410 O ALA 59 3.989 2.704 5.828 1.00 0.00 ATOM 411 C ALA 59 4.964 3.348 5.417 1.00 0.00 ATOM 412 N GLY 60 6.124 2.787 5.096 1.00 0.00 ATOM 413 CA GLY 60 6.313 1.355 5.165 1.00 0.00 ATOM 414 O GLY 60 5.846 -0.365 6.731 1.00 0.00 ATOM 415 C GLY 60 6.160 0.803 6.564 1.00 0.00 ATOM 416 N GLU 61 6.363 1.647 7.564 1.00 0.00 ATOM 417 CA GLU 61 6.281 1.226 8.957 1.00 0.00 ATOM 418 CB GLU 61 6.561 2.431 9.859 1.00 0.00 ATOM 419 CG GLU 61 7.355 2.109 11.116 1.00 0.00 ATOM 420 CD GLU 61 6.584 1.262 12.102 1.00 0.00 ATOM 421 OE1 GLU 61 7.063 0.169 12.457 1.00 0.00 ATOM 422 OE2 GLU 61 5.494 1.689 12.533 1.00 0.00 ATOM 423 O GLU 61 4.771 -0.492 9.740 1.00 0.00 ATOM 424 C GLU 61 4.896 0.638 9.252 1.00 0.00 ATOM 425 N GLY 62 3.856 1.392 8.905 1.00 0.00 ATOM 426 CA GLY 62 2.499 0.934 9.138 1.00 0.00 ATOM 427 O GLY 62 1.451 -1.149 8.598 1.00 0.00 ATOM 428 C GLY 62 2.114 -0.187 8.198 1.00 0.00 ATOM 429 N LEU 63 2.547 -0.067 6.949 1.00 0.00 ATOM 430 CA LEU 63 2.261 -1.080 5.939 1.00 0.00 ATOM 431 CB LEU 63 2.795 -0.623 4.579 1.00 0.00 ATOM 432 CG LEU 63 2.216 0.700 4.071 1.00 0.00 ATOM 433 CD1 LEU 63 2.918 1.137 2.799 1.00 0.00 ATOM 434 CD2 LEU 63 0.720 0.577 3.831 1.00 0.00 ATOM 435 O LEU 63 2.200 -3.456 6.270 1.00 0.00 ATOM 436 C LEU 63 2.870 -2.426 6.327 1.00 0.00 ATOM 437 N ASN 64 4.130 -2.408 6.750 1.00 0.00 ATOM 438 CA ASN 64 4.829 -3.633 7.136 1.00 0.00 ATOM 439 CB ASN 64 6.315 -3.365 7.397 1.00 0.00 ATOM 440 CG ASN 64 7.102 -3.079 6.128 1.00 0.00 ATOM 441 ND2 ASN 64 8.177 -2.316 6.255 1.00 0.00 ATOM 442 OD1 ASN 64 6.750 -3.542 5.044 1.00 0.00 ATOM 443 O ASN 64 4.245 -5.475 8.546 1.00 0.00 ATOM 444 C ASN 64 4.199 -4.258 8.370 1.00 0.00 ATOM 445 N ARG 65 3.616 -3.426 9.226 1.00 0.00 ATOM 446 CA ARG 65 2.915 -3.923 10.405 1.00 0.00 ATOM 447 CB ARG 65 2.533 -2.774 11.336 1.00 0.00 ATOM 448 CG ARG 65 1.734 -3.205 12.560 1.00 0.00 ATOM 449 CD ARG 65 1.868 -2.191 13.681 1.00 0.00 ATOM 450 NE ARG 65 3.251 -2.089 14.133 1.00 0.00 ATOM 451 CZ ARG 65 4.088 -1.132 13.741 1.00 0.00 ATOM 452 NH1 ARG 65 3.635 -0.091 13.051 1.00 0.00 ATOM 453 NH2 ARG 65 5.370 -1.200 14.070 1.00 0.00 ATOM 454 O ARG 65 1.317 -5.676 10.690 1.00 0.00 ATOM 455 C ARG 65 1.681 -4.718 10.011 1.00 0.00 ATOM 456 N TYR 66 1.028 -4.327 8.925 1.00 0.00 ATOM 457 CA TYR 66 -0.060 -5.136 8.401 1.00 0.00 ATOM 458 CB TYR 66 -0.911 -4.357 7.394 1.00 0.00 ATOM 459 CG TYR 66 -2.053 -5.179 6.823 1.00 0.00 ATOM 460 CD1 TYR 66 -3.321 -5.124 7.384 1.00 0.00 ATOM 461 CD2 TYR 66 -1.855 -6.022 5.733 1.00 0.00 ATOM 462 CE1 TYR 66 -4.360 -5.885 6.878 1.00 0.00 ATOM 463 CE2 TYR 66 -2.890 -6.783 5.219 1.00 0.00 ATOM 464 CZ TYR 66 -4.140 -6.711 5.796 1.00 0.00 ATOM 465 OH TYR 66 -5.174 -7.470 5.292 1.00 0.00 ATOM 466 O TYR 66 0.010 -7.493 7.966 1.00 0.00 ATOM 467 C TYR 66 0.502 -6.388 7.740 1.00 0.00 ATOM 468 N ILE 67 1.531 -6.198 6.917 1.00 0.00 ATOM 469 CA ILE 67 2.145 -7.297 6.183 1.00 0.00 ATOM 470 CB ILE 67 3.347 -6.818 5.338 1.00 0.00 ATOM 471 CG1 ILE 67 2.910 -5.738 4.344 1.00 0.00 ATOM 472 CG2 ILE 67 3.978 -7.993 4.599 1.00 0.00 ATOM 473 CD1 ILE 67 4.062 -5.101 3.596 1.00 0.00 ATOM 474 O ILE 67 2.218 -9.564 6.946 1.00 0.00 ATOM 475 C ILE 67 2.600 -8.410 7.126 1.00 0.00 ATOM 476 N ARG 68 3.434 -8.061 8.114 1.00 0.00 ATOM 477 CA ARG 68 3.904 -9.022 9.120 1.00 0.00 ATOM 478 CB ARG 68 2.751 -9.484 9.988 1.00 0.00 ATOM 479 CG ARG 68 2.404 -8.531 11.110 1.00 0.00 ATOM 480 CD ARG 68 3.551 -8.377 12.098 1.00 0.00 ATOM 481 NE ARG 68 3.961 -9.659 12.668 1.00 0.00 ATOM 482 CZ ARG 68 3.628 -10.077 13.887 1.00 0.00 ATOM 483 NH1 ARG 68 2.850 -9.329 14.664 1.00 0.00 ATOM 484 NH2 ARG 68 4.070 -11.252 14.317 1.00 0.00 ATOM 485 O ARG 68 4.493 -11.334 9.014 1.00 0.00 ATOM 486 C ARG 68 4.553 -10.233 8.474 1.00 0.00 ATOM 487 N THR 69 5.101 -9.999 7.288 1.00 0.00 ATOM 488 CA THR 69 5.856 -10.977 6.497 1.00 0.00 ATOM 489 CB THR 69 7.195 -11.418 7.170 1.00 0.00 ATOM 490 CG2 THR 69 6.984 -12.298 8.390 1.00 0.00 ATOM 491 OG1 THR 69 8.007 -12.129 6.228 1.00 0.00 ATOM 492 O THR 69 5.470 -13.220 5.690 1.00 0.00 ATOM 493 C THR 69 4.985 -12.174 6.130 1.00 0.00 ATOM 494 N SER 70 3.685 -11.980 6.263 1.00 0.00 ATOM 495 CA SER 70 2.712 -12.968 5.872 1.00 0.00 ATOM 496 CB SER 70 1.815 -13.285 7.063 1.00 0.00 ATOM 497 OG SER 70 1.347 -12.098 7.683 1.00 0.00 ATOM 498 O SER 70 2.002 -12.941 3.573 1.00 0.00 ATOM 499 C SER 70 1.900 -12.442 4.699 1.00 0.00 ATOM 500 N GLY 71 1.132 -11.400 4.968 1.00 0.00 ATOM 501 CA GLY 71 0.317 -10.777 3.951 1.00 0.00 ATOM 502 O GLY 71 -0.917 -12.830 3.857 1.00 0.00 ATOM 503 C GLY 71 -0.785 -11.681 3.435 1.00 0.00 ATOM 504 N ILE 72 -1.571 -11.164 2.506 1.00 0.00 ATOM 505 CA ILE 72 -2.679 -11.919 1.942 1.00 0.00 ATOM 506 CB ILE 72 -3.871 -10.977 1.639 1.00 0.00 ATOM 507 CG1 ILE 72 -4.231 -10.178 2.899 1.00 0.00 ATOM 508 CG2 ILE 72 -5.092 -11.740 1.144 1.00 0.00 ATOM 509 CD1 ILE 72 -4.484 -11.035 4.127 1.00 0.00 ATOM 510 O ILE 72 -3.007 -13.300 -0.013 1.00 0.00 ATOM 511 C ILE 72 -2.220 -12.672 0.689 1.00 0.00 ATOM 512 N ARG 73 -0.918 -12.604 0.428 1.00 0.00 ATOM 513 CA ARG 73 -0.312 -13.304 -0.702 1.00 0.00 ATOM 514 CB ARG 73 1.186 -13.015 -0.756 1.00 0.00 ATOM 515 CG ARG 73 1.926 -13.848 -1.785 1.00 0.00 ATOM 516 CD ARG 73 1.690 -13.329 -3.193 1.00 0.00 ATOM 517 NE ARG 73 2.184 -14.240 -4.221 1.00 0.00 ATOM 518 CZ ARG 73 1.945 -14.082 -5.523 1.00 0.00 ATOM 519 NH1 ARG 73 1.254 -13.031 -5.947 1.00 0.00 ATOM 520 NH2 ARG 73 2.398 -14.971 -6.397 1.00 0.00 ATOM 521 O ARG 73 -1.449 -15.371 -1.181 1.00 0.00 ATOM 522 C ARG 73 -0.521 -14.814 -0.595 1.00 0.00 ATOM 523 N THR 74 0.360 -15.466 0.153 1.00 0.00 ATOM 524 CA THR 74 0.286 -16.897 0.335 1.00 0.00 ATOM 525 CB THR 74 1.694 -17.505 0.495 1.00 0.00 ATOM 526 CG2 THR 74 1.645 -19.021 0.399 1.00 0.00 ATOM 527 OG1 THR 74 2.568 -16.990 -0.521 1.00 0.00 ATOM 528 O THR 74 -1.271 -18.182 1.619 1.00 0.00 ATOM 529 C THR 74 -0.540 -17.191 1.570 1.00 0.00 ATOM 530 N ASP 75 -0.422 -16.283 2.547 1.00 0.00 ATOM 531 CA ASP 75 -1.155 -16.366 3.822 1.00 0.00 ATOM 532 CB ASP 75 -2.663 -16.359 3.560 1.00 0.00 ATOM 533 CG ASP 75 -3.491 -16.567 4.817 1.00 0.00 ATOM 534 OD1 ASP 75 -3.723 -17.738 5.198 1.00 0.00 ATOM 535 OD2 ASP 75 -3.926 -15.572 5.423 1.00 0.00 ATOM 536 O ASP 75 -0.169 -17.474 5.725 1.00 0.00 ATOM 537 C ASP 75 -0.764 -17.596 4.653 1.00 0.00 ENDMDL # command:# Prefix for output files set to decoys/ # command:# request to SCWRL produces command: ulimit -t 79 ; scwrl3 -i /var/tmp/to_scwrl_621511226.pdb -s /var/tmp/to_scwrl_621511226.seq -o /var/tmp/from_scwrl_621511226.pdb > /var/tmp/scwrl_621511226.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_621511226.pdb # conformation set from SCWRL output # command:# naming current conformation model1-scwrl # command:# ReadConformPDB reading from PDB file model2.ts-submitted looking for model 1 # Found a chain break before 74 # 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 = -39.394 # GDT_score(maxd=8.000,maxw=2.900)= -37.327 # GDT_score(maxd=8.000,maxw=3.200)= -35.163 # GDT_score(maxd=8.000,maxw=3.500)= -33.212 # GDT_score(maxd=10.000,maxw=3.800)= -37.730 # GDT_score(maxd=10.000,maxw=4.000)= -36.449 # GDT_score(maxd=10.000,maxw=4.200)= -35.291 # GDT_score(maxd=12.000,maxw=4.300)= -39.485 # GDT_score(maxd=12.000,maxw=4.500)= -38.269 # GDT_score(maxd=12.000,maxw=4.700)= -37.157 # GDT_score(maxd=14.000,maxw=5.200)= -38.082 # GDT_score(maxd=14.000,maxw=5.500)= -36.555 # command:# request to SCWRL produces command: ulimit -t 79 ; scwrl3 -i /var/tmp/to_scwrl_1787447296.pdb -s /var/tmp/to_scwrl_1787447296.seq -o /var/tmp/from_scwrl_1787447296.pdb > /var/tmp/scwrl_1787447296.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1787447296.pdb # conformation set from SCWRL output # command:# naming current conformation model2-scwrl # command:# ReadConformPDB reading from PDB file model3.ts-submitted looking for model 1 # command:Warning: Couldn't open file decoys/model3.gdt for output # fraction of real conformation used = 1.000 # GDT_score = -40.152 # GDT_score(maxd=8.000,maxw=2.900)= -39.219 # GDT_score(maxd=8.000,maxw=3.200)= -36.992 # GDT_score(maxd=8.000,maxw=3.500)= -35.025 # GDT_score(maxd=10.000,maxw=3.800)= -38.721 # GDT_score(maxd=10.000,maxw=4.000)= -37.467 # GDT_score(maxd=10.000,maxw=4.200)= -36.277 # GDT_score(maxd=12.000,maxw=4.300)= -39.897 # GDT_score(maxd=12.000,maxw=4.500)= -38.666 # GDT_score(maxd=12.000,maxw=4.700)= -37.520 # GDT_score(maxd=14.000,maxw=5.200)= -38.124 # GDT_score(maxd=14.000,maxw=5.500)= -36.540 # command:# request to SCWRL produces command: ulimit -t 79 ; scwrl3 -i /var/tmp/to_scwrl_1781077706.pdb -s /var/tmp/to_scwrl_1781077706.seq -o /var/tmp/from_scwrl_1781077706.pdb > /var/tmp/scwrl_1781077706.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1781077706.pdb # conformation set from SCWRL output # command:# naming current conformation model3-scwrl # command:# ReadConformPDB reading from PDB file model4.ts-submitted looking for model 1 # Found a chain break before 73 # 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 = -36.364 # GDT_score(maxd=8.000,maxw=2.900)= -34.752 # GDT_score(maxd=8.000,maxw=3.200)= -33.483 # GDT_score(maxd=8.000,maxw=3.500)= -32.367 # GDT_score(maxd=10.000,maxw=3.800)= -35.188 # GDT_score(maxd=10.000,maxw=4.000)= -34.367 # GDT_score(maxd=10.000,maxw=4.200)= -33.503 # GDT_score(maxd=12.000,maxw=4.300)= -36.812 # GDT_score(maxd=12.000,maxw=4.500)= -35.876 # GDT_score(maxd=12.000,maxw=4.700)= -34.995 # GDT_score(maxd=14.000,maxw=5.200)= -36.167 # GDT_score(maxd=14.000,maxw=5.500)= -35.017 # command:# request to SCWRL produces command: ulimit -t 79 ; scwrl3 -i /var/tmp/to_scwrl_1992474569.pdb -s /var/tmp/to_scwrl_1992474569.seq -o /var/tmp/from_scwrl_1992474569.pdb > /var/tmp/scwrl_1992474569.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1992474569.pdb # conformation set from SCWRL output # command:# naming current conformation model4-scwrl # command:# ReadConformPDB reading from PDB file model5.ts-submitted looking for model 1 # Found a chain break before 73 # 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 = -37.121 # GDT_score(maxd=8.000,maxw=2.900)= -35.134 # GDT_score(maxd=8.000,maxw=3.200)= -33.829 # GDT_score(maxd=8.000,maxw=3.500)= -32.743 # GDT_score(maxd=10.000,maxw=3.800)= -35.548 # GDT_score(maxd=10.000,maxw=4.000)= -34.760 # GDT_score(maxd=10.000,maxw=4.200)= -33.952 # GDT_score(maxd=12.000,maxw=4.300)= -37.191 # GDT_score(maxd=12.000,maxw=4.500)= -36.312 # GDT_score(maxd=12.000,maxw=4.700)= -35.466 # GDT_score(maxd=14.000,maxw=5.200)= -36.598 # GDT_score(maxd=14.000,maxw=5.500)= -35.346 # command:# request to SCWRL produces command: ulimit -t 79 ; scwrl3 -i /var/tmp/to_scwrl_412573600.pdb -s /var/tmp/to_scwrl_412573600.seq -o /var/tmp/from_scwrl_412573600.pdb > /var/tmp/scwrl_412573600.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_412573600.pdb # conformation set from SCWRL output # command:# naming current conformation model5-scwrl # command:# Prefix for input files set to decoys/ # command:# ReadConformPDB reading from PDB file T0358.try1-opt2.pdb looking for model 1 # Found a chain break before 82 # 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 = -34.091 # GDT_score(maxd=8.000,maxw=2.900)= -32.296 # GDT_score(maxd=8.000,maxw=3.200)= -30.958 # GDT_score(maxd=8.000,maxw=3.500)= -29.733 # GDT_score(maxd=10.000,maxw=3.800)= -33.109 # GDT_score(maxd=10.000,maxw=4.000)= -32.287 # GDT_score(maxd=10.000,maxw=4.200)= -31.473 # GDT_score(maxd=12.000,maxw=4.300)= -34.921 # GDT_score(maxd=12.000,maxw=4.500)= -34.042 # GDT_score(maxd=12.000,maxw=4.700)= -33.214 # GDT_score(maxd=14.000,maxw=5.200)= -34.338 # GDT_score(maxd=14.000,maxw=5.500)= -33.209 # command:# Prefix for output files set to # command:Warning: Couldn't open file T0358.try1-real.pdb for output Error: Couldn't open file T0358.try1-real.pdb for output superimposing iter= 0 total_weight= 801 rmsd (weighted)= 11.8882 (unweighted)= 16.211 superimposing iter= 1 total_weight= 1426.07 rmsd (weighted)= 7.0107 (unweighted)= 16.6414 superimposing iter= 2 total_weight= 698.799 rmsd (weighted)= 6.01299 (unweighted)= 17.0936 superimposing iter= 3 total_weight= 656.912 rmsd (weighted)= 5.35736 (unweighted)= 17.4367 superimposing iter= 4 total_weight= 613.402 rmsd (weighted)= 4.96937 (unweighted)= 17.6394 superimposing iter= 5 total_weight= 576.37 rmsd (weighted)= 4.77269 (unweighted)= 17.7457 EXPDTA T0358.try1-opt2.pdb MODEL 1 REMARK 44 REMARK 44 model 1 is called T0358.try1-opt2.pdb ATOM 1 N MET A 1 -1.587 0.917 5.715 1.00 0.00 ATOM 2 CA MET A 1 -1.650 2.388 5.469 1.00 0.00 ATOM 3 CB MET A 1 -2.265 2.807 7.078 1.00 0.00 ATOM 4 CG MET A 1 -1.004 3.044 7.894 1.00 0.00 ATOM 5 SD MET A 1 -1.352 3.412 9.628 1.00 0.00 ATOM 6 CE MET A 1 -1.683 5.168 9.542 1.00 0.00 ATOM 7 O MET A 1 -0.077 3.854 4.402 1.00 0.00 ATOM 8 C MET A 1 -0.254 2.927 5.201 1.00 0.00 ATOM 9 N THR A 2 0.762 2.271 5.808 1.00 0.00 ATOM 10 CA THR A 2 2.144 2.679 5.650 1.00 0.00 ATOM 11 CB THR A 2 2.695 3.128 7.017 1.00 0.00 ATOM 12 CG2 THR A 2 1.840 4.245 7.594 1.00 0.00 ATOM 13 OG1 THR A 2 2.686 2.019 7.925 1.00 0.00 ATOM 14 O THR A 2 2.522 0.363 5.185 1.00 0.00 ATOM 15 C THR A 2 2.971 1.502 5.134 1.00 0.00 ATOM 16 N GLN A 3 4.164 1.748 4.596 1.00 0.00 ATOM 17 CA GLN A 3 5.008 0.673 4.089 1.00 0.00 ATOM 18 CB GLN A 3 6.381 1.132 3.776 1.00 0.00 ATOM 19 CG GLN A 3 7.250 0.059 3.152 1.00 0.00 ATOM 20 CD GLN A 3 8.483 0.634 2.489 1.00 0.00 ATOM 21 OE1 GLN A 3 9.251 1.369 3.112 1.00 0.00 ATOM 22 NE2 GLN A 3 8.681 0.302 1.220 1.00 0.00 ATOM 23 O GLN A 3 5.297 -1.542 4.900 1.00 0.00 ATOM 24 C GLN A 3 5.310 -0.354 5.159 1.00 0.00 ATOM 25 N SER A 4 5.638 0.119 6.357 1.00 0.00 ATOM 26 CA SER A 4 5.898 -0.757 7.492 1.00 0.00 ATOM 27 CB SER A 4 6.342 0.096 8.701 1.00 0.00 ATOM 28 OG SER A 4 6.588 -0.704 9.817 1.00 0.00 ATOM 29 O SER A 4 4.755 -2.844 7.885 1.00 0.00 ATOM 30 C SER A 4 4.683 -1.604 7.782 1.00 0.00 ATOM 31 N VAL A 5 3.536 -0.964 7.895 1.00 0.00 ATOM 32 CA VAL A 5 2.320 -1.671 8.216 1.00 0.00 ATOM 33 CB VAL A 5 1.191 -0.677 8.582 1.00 0.00 ATOM 34 CG1 VAL A 5 -0.165 -1.356 8.587 1.00 0.00 ATOM 35 CG2 VAL A 5 1.501 0.054 9.925 1.00 0.00 ATOM 36 O VAL A 5 1.450 -3.659 7.263 1.00 0.00 ATOM 37 C VAL A 5 1.928 -2.566 7.047 1.00 0.00 ATOM 38 N LEU A 6 2.072 -2.065 5.820 1.00 0.00 ATOM 39 CA LEU A 6 1.703 -2.816 4.627 1.00 0.00 ATOM 40 CB LEU A 6 1.931 -1.974 3.369 1.00 0.00 ATOM 41 CG LEU A 6 1.625 -2.619 2.015 1.00 0.00 ATOM 42 CD1 LEU A 6 0.181 -3.100 1.884 1.00 0.00 ATOM 43 CD2 LEU A 6 1.994 -1.637 0.878 1.00 0.00 ATOM 44 O LEU A 6 1.864 -5.147 4.063 1.00 0.00 ATOM 45 C LEU A 6 2.454 -4.134 4.440 1.00 0.00 ATOM 46 N LEU A 7 3.760 -4.091 4.686 1.00 0.00 ATOM 47 CA LEU A 7 4.590 -5.282 4.541 1.00 0.00 ATOM 48 CB LEU A 7 5.899 -4.933 3.827 1.00 0.00 ATOM 49 CG LEU A 7 5.680 -4.314 2.441 1.00 0.00 ATOM 50 CD1 LEU A 7 7.028 -4.021 1.796 1.00 0.00 ATOM 51 CD2 LEU A 7 4.857 -5.255 1.565 1.00 0.00 ATOM 52 O LEU A 7 5.440 -5.081 6.762 1.00 0.00 ATOM 53 C LEU A 7 5.065 -5.835 5.872 1.00 0.00 ATOM 54 N PRO A 8 5.074 -7.171 6.018 1.00 0.00 ATOM 55 CA PRO A 8 5.521 -7.783 7.276 1.00 0.00 ATOM 56 CB PRO A 8 5.365 -9.285 7.033 1.00 0.00 ATOM 57 CG PRO A 8 4.324 -9.386 5.970 1.00 0.00 ATOM 58 CD PRO A 8 4.544 -8.211 5.058 1.00 0.00 ATOM 59 O PRO A 8 7.746 -7.080 6.697 1.00 0.00 ATOM 60 C PRO A 8 6.969 -7.416 7.594 1.00 0.00 ATOM 61 N PRO A 9 7.336 -7.435 8.881 1.00 0.00 ATOM 62 CA PRO A 9 8.701 -7.107 9.301 1.00 0.00 ATOM 63 CB PRO A 9 8.640 -7.324 10.815 1.00 0.00 ATOM 64 CG PRO A 9 7.228 -6.994 11.160 1.00 0.00 ATOM 65 CD PRO A 9 6.451 -7.644 10.054 1.00 0.00 ATOM 66 O PRO A 9 9.338 -9.296 8.534 1.00 0.00 ATOM 67 C PRO A 9 9.711 -8.182 8.898 1.00 0.00 ATOM 68 N GLY A 10 10.981 -7.850 8.944 1.00 0.00 ATOM 69 CA GLY A 10 12.014 -8.805 8.591 1.00 0.00 ATOM 70 O GLY A 10 11.801 -8.147 6.303 1.00 0.00 ATOM 71 C GLY A 10 12.415 -8.824 7.130 1.00 0.00 ATOM 72 N PRO A 11 13.521 -9.599 6.758 1.00 0.00 ATOM 73 CA PRO A 11 14.035 -9.730 5.391 1.00 0.00 ATOM 74 CB PRO A 11 15.170 -10.745 5.546 1.00 0.00 ATOM 75 CG PRO A 11 15.615 -10.551 6.961 1.00 0.00 ATOM 76 CD PRO A 11 14.312 -10.421 7.691 1.00 0.00 ATOM 77 O PRO A 11 12.985 -10.008 3.243 1.00 0.00 ATOM 78 C PRO A 11 12.939 -10.260 4.451 1.00 0.00 ATOM 79 N PHE A 12 12.022 -11.053 4.991 1.00 0.00 ATOM 80 CA PHE A 12 10.962 -11.625 4.164 1.00 0.00 ATOM 81 CB PHE A 12 10.607 -13.019 4.683 1.00 0.00 ATOM 82 CG PHE A 12 11.697 -14.033 4.490 1.00 0.00 ATOM 83 CD1 PHE A 12 12.530 -14.383 5.539 1.00 0.00 ATOM 84 CD2 PHE A 12 11.891 -14.638 3.260 1.00 0.00 ATOM 85 CE1 PHE A 12 13.533 -15.317 5.363 1.00 0.00 ATOM 86 CE2 PHE A 12 12.895 -15.572 3.083 1.00 0.00 ATOM 87 CZ PHE A 12 13.713 -15.912 4.127 1.00 0.00 ATOM 88 O PHE A 12 8.747 -11.070 3.501 1.00 0.00 ATOM 89 C PHE A 12 9.712 -10.771 4.161 1.00 0.00 ATOM 90 N THR A 13 9.736 -9.687 4.850 1.00 0.00 ATOM 91 CA THR A 13 8.589 -8.751 4.914 1.00 0.00 ATOM 92 CB THR A 13 9.167 -7.249 5.354 1.00 0.00 ATOM 93 CG2 THR A 13 7.991 -6.322 5.727 1.00 0.00 ATOM 94 OG1 THR A 13 10.182 -7.274 6.372 1.00 0.00 ATOM 95 O THR A 13 7.187 -8.185 3.055 1.00 0.00 ATOM 96 C THR A 13 8.327 -8.196 3.518 1.00 0.00 ATOM 97 N ARG A 14 9.378 -7.761 2.842 1.00 0.00 ATOM 98 CA ARG A 14 9.226 -7.221 1.492 1.00 0.00 ATOM 99 CB ARG A 14 10.470 -7.037 0.734 1.00 0.00 ATOM 100 CG ARG A 14 11.352 -5.921 1.343 1.00 0.00 ATOM 101 CD ARG A 14 10.527 -4.776 1.935 1.00 0.00 ATOM 102 NE ARG A 14 11.390 -3.626 2.254 1.00 0.00 ATOM 103 CZ ARG A 14 11.749 -2.692 1.364 1.00 0.00 ATOM 104 NH1 ARG A 14 11.319 -2.765 0.098 1.00 0.00 ATOM 105 NH2 ARG A 14 12.526 -1.680 1.731 1.00 0.00 ATOM 106 O ARG A 14 7.730 -7.991 -0.203 1.00 0.00 ATOM 107 C ARG A 14 8.651 -8.264 0.569 1.00 0.00 ATOM 108 N ARG A 15 9.174 -9.525 0.662 1.00 0.00 ATOM 109 CA ARG A 15 8.710 -10.596 -0.201 1.00 0.00 ATOM 110 CB ARG A 15 9.526 -11.865 0.050 1.00 0.00 ATOM 111 CG ARG A 15 9.142 -13.036 -0.841 1.00 0.00 ATOM 112 CD ARG A 15 9.942 -14.281 -0.490 1.00 0.00 ATOM 113 NE ARG A 15 9.632 -14.771 0.851 1.00 0.00 ATOM 114 CZ ARG A 15 8.544 -15.471 1.156 1.00 0.00 ATOM 115 NH1 ARG A 15 8.345 -15.876 2.404 1.00 0.00 ATOM 116 NH2 ARG A 15 7.658 -15.765 0.215 1.00 0.00 ATOM 117 O ARG A 15 6.450 -10.999 -0.880 1.00 0.00 ATOM 118 C ARG A 15 7.246 -10.939 0.051 1.00 0.00 ATOM 119 N GLN A 16 6.868 -11.173 1.299 1.00 0.00 ATOM 120 CA GLN A 16 5.488 -11.520 1.607 1.00 0.00 ATOM 121 CB GLN A 16 5.362 -11.938 3.074 1.00 0.00 ATOM 122 CG GLN A 16 6.033 -13.262 3.400 1.00 0.00 ATOM 123 CD GLN A 16 5.941 -13.614 4.872 1.00 0.00 ATOM 124 OE1 GLN A 16 5.403 -12.846 5.672 1.00 0.00 ATOM 125 NE2 GLN A 16 6.464 -14.778 5.235 1.00 0.00 ATOM 126 O GLN A 16 3.361 -10.590 0.993 1.00 0.00 ATOM 127 C GLN A 16 4.511 -10.370 1.377 1.00 0.00 ATOM 128 N ALA A 17 4.955 -9.157 1.635 1.00 0.00 ATOM 129 CA ALA A 17 4.101 -7.973 1.456 1.00 0.00 ATOM 130 CB ALA A 17 4.812 -6.704 1.627 1.00 0.00 ATOM 131 O ALA A 17 2.492 -7.465 -0.307 1.00 0.00 ATOM 132 C ALA A 17 3.628 -7.850 0.015 1.00 0.00 ATOM 133 N GLN A 18 4.539 -8.129 -0.937 1.00 0.00 ATOM 134 CA GLN A 18 4.165 -8.020 -2.356 1.00 0.00 ATOM 135 CB GLN A 18 5.413 -8.292 -3.227 1.00 0.00 ATOM 136 CG GLN A 18 5.103 -8.186 -4.720 1.00 0.00 ATOM 137 CD GLN A 18 6.386 -8.318 -5.557 1.00 0.00 ATOM 138 OE1 GLN A 18 7.367 -8.883 -5.174 1.00 0.00 ATOM 139 NE2 GLN A 18 6.310 -7.836 -6.745 1.00 0.00 ATOM 140 O GLN A 18 2.080 -8.592 -3.327 1.00 0.00 ATOM 141 C GLN A 18 3.062 -8.995 -2.682 1.00 0.00 ATOM 142 N ALA A 19 3.168 -10.225 -2.269 1.00 0.00 ATOM 143 CA ALA A 19 2.175 -11.286 -2.525 1.00 0.00 ATOM 144 CB ALA A 19 2.670 -12.657 -2.063 1.00 0.00 ATOM 145 O ALA A 19 -0.244 -10.995 -2.498 1.00 0.00 ATOM 146 C ALA A 19 0.832 -10.912 -1.870 1.00 0.00 ATOM 147 N VAL A 20 0.903 -10.447 -0.621 1.00 0.00 ATOM 148 CA VAL A 20 -0.331 -10.064 0.064 1.00 0.00 ATOM 149 CB VAL A 20 -0.107 -9.833 1.549 1.00 0.00 ATOM 150 CG1 VAL A 20 -1.341 -9.271 2.251 1.00 0.00 ATOM 151 CG2 VAL A 20 0.346 -11.135 2.228 1.00 0.00 ATOM 152 O VAL A 20 -2.188 -8.793 -0.777 1.00 0.00 ATOM 153 C VAL A 20 -0.970 -8.853 -0.606 1.00 0.00 ATOM 154 N THR A 21 -0.142 -7.862 -0.998 1.00 0.00 ATOM 155 CA THR A 21 -0.623 -6.647 -1.646 1.00 0.00 ATOM 156 CB THR A 21 0.543 -5.660 -1.810 1.00 0.00 ATOM 157 CG2 THR A 21 0.146 -4.465 -2.661 1.00 0.00 ATOM 158 OG1 THR A 21 0.940 -5.186 -0.524 1.00 0.00 ATOM 159 O THR A 21 -2.303 -6.427 -3.378 1.00 0.00 ATOM 160 C THR A 21 -1.253 -6.975 -3.016 1.00 0.00 ATOM 161 N THR A 22 -0.616 -7.854 -3.749 1.00 0.00 ATOM 162 CA THR A 22 -1.134 -8.259 -5.056 1.00 0.00 ATOM 163 CB THR A 22 -0.194 -9.244 -5.777 1.00 0.00 ATOM 164 CG2 THR A 22 -0.797 -9.682 -7.103 1.00 0.00 ATOM 165 OG1 THR A 22 1.066 -8.610 -6.028 1.00 0.00 ATOM 166 O THR A 22 -3.319 -8.790 -5.866 1.00 0.00 ATOM 167 C THR A 22 -2.498 -8.942 -4.961 1.00 0.00 ATOM 168 N THR A 23 -2.740 -9.666 -3.869 1.00 0.00 ATOM 169 CA THR A 23 -3.992 -10.409 -3.679 1.00 0.00 ATOM 170 CB THR A 23 -3.540 -11.856 -3.090 1.00 0.00 ATOM 171 CG2 THR A 23 -4.736 -12.784 -2.947 1.00 0.00 ATOM 172 OG1 THR A 23 -2.563 -12.474 -3.933 1.00 0.00 ATOM 173 O THR A 23 -6.295 -10.091 -3.105 1.00 0.00 ATOM 174 C THR A 23 -5.206 -9.564 -3.328 1.00 0.00 ATOM 175 N TYR A 24 -4.997 -8.185 -3.307 1.00 0.00 ATOM 176 CA TYR A 24 -6.091 -7.268 -3.008 1.00 0.00 ATOM 177 CB TYR A 24 -5.525 -5.902 -2.615 1.00 0.00 ATOM 178 CG TYR A 24 -4.823 -5.894 -1.276 1.00 0.00 ATOM 179 CD1 TYR A 24 -4.955 -6.960 -0.396 1.00 0.00 ATOM 180 CD2 TYR A 24 -4.029 -4.819 -0.897 1.00 0.00 ATOM 181 CE1 TYR A 24 -4.317 -6.960 0.829 1.00 0.00 ATOM 182 CE2 TYR A 24 -3.383 -4.802 0.325 1.00 0.00 ATOM 183 CZ TYR A 24 -3.533 -5.886 1.190 1.00 0.00 ATOM 184 OH TYR A 24 -2.896 -5.883 2.409 1.00 0.00 ATOM 185 O TYR A 24 -6.497 -7.033 -5.364 1.00 0.00 ATOM 186 C TYR A 24 -6.983 -7.057 -4.232 1.00 0.00 ATOM 187 N SER A 25 -8.286 -6.897 -3.994 1.00 0.00 ATOM 188 CA SER A 25 -9.260 -6.762 -5.083 1.00 0.00 ATOM 189 CB SER A 25 -10.505 -7.602 -4.794 1.00 0.00 ATOM 190 OG SER A 25 -10.201 -8.986 -4.804 1.00 0.00 ATOM 191 O SER A 25 -9.796 -4.521 -4.354 1.00 0.00 ATOM 192 C SER A 25 -9.745 -5.328 -5.296 1.00 0.00 ATOM 193 N ASN A 26 -10.113 -5.042 -6.548 1.00 0.00 ATOM 194 CA ASN A 26 -10.598 -3.732 -7.000 1.00 0.00 ATOM 195 CB ASN A 26 -12.020 -3.474 -6.499 1.00 0.00 ATOM 196 CG ASN A 26 -12.687 -2.311 -7.207 1.00 0.00 ATOM 197 ND2 ASN A 26 -13.668 -1.705 -6.549 1.00 0.00 ATOM 198 OD1 ASN A 26 -12.322 -1.964 -8.330 1.00 0.00 ATOM 199 O ASN A 26 -10.136 -1.627 -5.932 1.00 0.00 ATOM 200 C ASN A 26 -9.675 -2.600 -6.494 1.00 0.00 ATOM 201 N ILE A 27 -8.396 -2.769 -6.761 1.00 0.00 ATOM 202 CA ILE A 27 -7.424 -1.819 -6.313 1.00 0.00 ATOM 203 CB ILE A 27 -5.991 -2.444 -6.295 1.00 0.00 ATOM 204 CG1 ILE A 27 -5.961 -3.798 -5.547 1.00 0.00 ATOM 205 CG2 ILE A 27 -4.998 -1.435 -5.700 1.00 0.00 ATOM 206 CD1 ILE A 27 -4.597 -4.507 -5.556 1.00 0.00 ATOM 207 O ILE A 27 -7.394 -0.670 -8.407 1.00 0.00 ATOM 208 C ILE A 27 -7.419 -0.575 -7.185 1.00 0.00 ATOM 209 N THR A 28 -7.472 0.576 -6.536 1.00 0.00 ATOM 210 CA THR A 28 -7.417 1.860 -7.227 1.00 0.00 ATOM 211 CB THR A 28 -8.668 2.709 -6.965 1.00 0.00 ATOM 212 CG2 THR A 28 -8.538 4.058 -7.657 1.00 0.00 ATOM 213 OG1 THR A 28 -9.807 2.027 -7.502 1.00 0.00 ATOM 214 O THR A 28 -6.017 2.631 -5.437 1.00 0.00 ATOM 215 C THR A 28 -6.200 2.570 -6.655 1.00 0.00 ATOM 216 N LEU A 29 -5.380 3.113 -7.548 1.00 0.00 ATOM 217 CA LEU A 29 -4.146 3.796 -7.181 1.00 0.00 ATOM 218 CB LEU A 29 -2.936 3.029 -7.717 1.00 0.00 ATOM 219 CG LEU A 29 -1.564 3.657 -7.458 1.00 0.00 ATOM 220 CD1 LEU A 29 -1.233 3.631 -5.974 1.00 0.00 ATOM 221 CD2 LEU A 29 -0.477 2.899 -8.203 1.00 0.00 ATOM 222 O LEU A 29 -4.647 5.403 -8.898 1.00 0.00 ATOM 223 C LEU A 29 -4.150 5.198 -7.787 1.00 0.00 ATOM 224 N GLU A 30 -3.567 6.151 -7.063 1.00 0.00 ATOM 225 CA GLU A 30 -3.577 7.553 -7.465 1.00 0.00 ATOM 226 CB GLU A 30 -3.569 8.560 -6.637 1.00 0.00 ATOM 227 CG GLU A 30 -5.030 8.895 -6.382 1.00 0.00 ATOM 228 CD GLU A 30 -5.343 10.340 -6.695 1.00 0.00 ATOM 229 OE1 GLU A 30 -5.818 10.637 -7.814 1.00 0.00 ATOM 230 OE2 GLU A 30 -5.088 11.185 -5.820 1.00 0.00 ATOM 231 O GLU A 30 -1.568 7.388 -8.765 1.00 0.00 ATOM 232 C GLU A 30 -2.714 7.840 -8.693 1.00 0.00 ATOM 233 N ASP A 31 -3.333 8.715 -9.581 1.00 0.00 ATOM 234 CA ASP A 31 -2.565 9.245 -10.710 1.00 0.00 ATOM 235 CB ASP A 31 -3.491 9.567 -11.885 1.00 0.00 ATOM 236 CG ASP A 31 -4.018 8.323 -12.571 1.00 0.00 ATOM 237 OD1 ASP A 31 -3.473 7.229 -12.315 1.00 0.00 ATOM 238 OD2 ASP A 31 -4.976 8.441 -13.364 1.00 0.00 ATOM 239 O ASP A 31 -0.829 10.878 -10.979 1.00 0.00 ATOM 240 C ASP A 31 -1.806 10.517 -10.319 1.00 0.00 ATOM 241 N ASP A 32 -2.269 11.179 -9.260 1.00 0.00 ATOM 242 CA ASP A 32 -1.641 12.383 -8.729 1.00 0.00 ATOM 243 CB ASP A 32 -2.710 13.389 -8.300 1.00 0.00 ATOM 244 CG ASP A 32 -3.460 13.981 -9.478 1.00 0.00 ATOM 245 OD1 ASP A 32 -2.991 13.814 -10.624 1.00 0.00 ATOM 246 OD2 ASP A 32 -4.516 14.610 -9.255 1.00 0.00 ATOM 247 O ASP A 32 -1.175 11.544 -6.529 1.00 0.00 ATOM 248 C ASP A 32 -0.729 12.106 -7.530 1.00 0.00 ATOM 249 N GLN A 33 0.547 12.451 -7.640 1.00 0.00 ATOM 250 CA GLN A 33 1.469 12.224 -6.526 1.00 0.00 ATOM 251 CB GLN A 33 2.755 13.274 -6.859 1.00 0.00 ATOM 252 CG GLN A 33 3.194 13.567 -8.282 1.00 0.00 ATOM 253 CD GLN A 33 2.147 14.312 -9.075 1.00 0.00 ATOM 254 OE1 GLN A 33 1.729 15.410 -8.700 1.00 0.00 ATOM 255 NE2 GLN A 33 1.717 13.723 -10.185 1.00 0.00 ATOM 256 O GLN A 33 1.280 12.360 -4.138 1.00 0.00 ATOM 257 C GLN A 33 1.090 12.918 -5.219 1.00 0.00 ATOM 258 N GLY A 34 0.494 14.120 -5.302 1.00 0.00 ATOM 259 CA GLY A 34 0.108 14.856 -4.110 1.00 0.00 ATOM 260 O GLY A 34 -0.967 14.609 -1.982 1.00 0.00 ATOM 261 C GLY A 34 -0.968 14.300 -3.175 1.00 0.00 ATOM 262 N SER A 35 -1.879 13.489 -3.718 1.00 0.00 ATOM 263 CA SER A 35 -2.984 12.918 -2.939 1.00 0.00 ATOM 264 CB SER A 35 -3.731 11.866 -3.760 1.00 0.00 ATOM 265 OG SER A 35 -4.771 11.273 -3.004 1.00 0.00 ATOM 266 O SER A 35 -1.737 11.268 -1.696 1.00 0.00 ATOM 267 C SER A 35 -2.567 12.202 -1.649 1.00 0.00 ATOM 268 N HIS A 36 -3.181 12.600 -0.537 1.00 0.00 ATOM 269 CA HIS A 36 -2.974 11.937 0.750 1.00 0.00 ATOM 270 CB HIS A 36 -3.820 12.593 1.843 1.00 0.00 ATOM 271 CG HIS A 36 -3.433 14.009 2.137 1.00 0.00 ATOM 272 CD2 HIS A 36 -2.289 14.858 1.836 1.00 0.00 ATOM 273 ND1 HIS A 36 -4.237 14.866 2.856 1.00 0.00 ATOM 274 CE1 HIS A 36 -3.627 16.060 2.955 1.00 0.00 ATOM 275 NE2 HIS A 36 -2.458 16.062 2.346 1.00 0.00 ATOM 276 O HIS A 36 -2.543 9.668 1.389 1.00 0.00 ATOM 277 C HIS A 36 -3.270 10.446 0.769 1.00 0.00 ATOM 278 N PHE A 37 -4.359 10.067 0.105 1.00 0.00 ATOM 279 CA PHE A 37 -4.712 8.670 -0.089 1.00 0.00 ATOM 280 CB PHE A 37 -6.212 8.396 0.260 1.00 0.00 ATOM 281 CG PHE A 37 -6.641 8.730 1.655 1.00 0.00 ATOM 282 CD1 PHE A 37 -6.816 10.049 2.047 1.00 0.00 ATOM 283 CD2 PHE A 37 -6.917 7.712 2.564 1.00 0.00 ATOM 284 CE1 PHE A 37 -7.263 10.353 3.322 1.00 0.00 ATOM 285 CE2 PHE A 37 -7.368 8.009 3.847 1.00 0.00 ATOM 286 CZ PHE A 37 -7.541 9.326 4.223 1.00 0.00 ATOM 287 O PHE A 37 -4.715 8.565 -2.487 1.00 0.00 ATOM 288 C PHE A 37 -4.164 8.219 -1.439 1.00 0.00 ATOM 289 N ARG A 38 -3.073 7.459 -1.399 1.00 0.00 ATOM 290 CA ARG A 38 -2.350 7.066 -2.610 1.00 0.00 ATOM 291 CB ARG A 38 -0.875 6.818 -2.290 1.00 0.00 ATOM 292 CG ARG A 38 -0.032 6.444 -3.498 1.00 0.00 ATOM 293 CD ARG A 38 1.437 6.325 -3.131 1.00 0.00 ATOM 294 NE ARG A 38 2.264 5.977 -4.284 1.00 0.00 ATOM 295 CZ ARG A 38 3.560 5.687 -4.215 1.00 0.00 ATOM 296 NH1 ARG A 38 4.231 5.382 -5.317 1.00 0.00 ATOM 297 NH2 ARG A 38 4.181 5.703 -3.043 1.00 0.00 ATOM 298 O ARG A 38 -2.753 5.608 -4.469 1.00 0.00 ATOM 299 C ARG A 38 -2.855 5.785 -3.253 1.00 0.00 ATOM 300 N LEU A 39 -3.387 4.889 -2.425 1.00 0.00 ATOM 301 CA LEU A 39 -3.963 3.642 -2.895 1.00 0.00 ATOM 302 CB LEU A 39 -2.966 2.518 -2.683 1.00 0.00 ATOM 303 CG LEU A 39 -3.259 1.143 -3.267 1.00 0.00 ATOM 304 CD1 LEU A 39 -3.612 1.243 -4.743 1.00 0.00 ATOM 305 CD2 LEU A 39 -2.028 0.279 -3.063 1.00 0.00 ATOM 306 O LEU A 39 -4.940 3.360 -0.719 1.00 0.00 ATOM 307 C LEU A 39 -5.038 3.155 -1.931 1.00 0.00 ATOM 308 N VAL A 40 -6.070 2.533 -2.492 1.00 0.00 ATOM 309 CA VAL A 40 -7.049 1.786 -1.710 1.00 0.00 ATOM 310 CB VAL A 40 -8.297 2.635 -1.408 1.00 0.00 ATOM 311 CG1 VAL A 40 -9.007 3.018 -2.697 1.00 0.00 ATOM 312 CG2 VAL A 40 -9.273 1.860 -0.536 1.00 0.00 ATOM 313 O VAL A 40 -7.293 0.418 -3.671 1.00 0.00 ATOM 314 C VAL A 40 -7.506 0.537 -2.462 1.00 0.00 ATOM 315 N VAL A 41 -7.993 -0.429 -1.590 1.00 0.00 ATOM 316 CA VAL A 41 -8.449 -1.692 -2.152 1.00 0.00 ATOM 317 CB VAL A 41 -7.288 -2.481 -2.785 1.00 0.00 ATOM 318 CG1 VAL A 41 -6.298 -2.919 -1.716 1.00 0.00 ATOM 319 CG2 VAL A 41 -7.812 -3.720 -3.495 1.00 0.00 ATOM 320 O VAL A 41 -9.185 -2.136 0.082 1.00 0.00 ATOM 321 C VAL A 41 -9.092 -2.546 -1.080 1.00 0.00 ATOM 322 N ARG A 42 -9.538 -3.732 -1.478 1.00 0.00 ATOM 323 CA ARG A 42 -10.187 -4.680 -0.578 1.00 0.00 ATOM 324 CB ARG A 42 -11.399 -5.327 -1.242 1.00 0.00 ATOM 325 CG ARG A 42 -11.880 -6.564 -0.517 1.00 0.00 ATOM 326 CD ARG A 42 -13.246 -6.984 -0.998 1.00 0.00 ATOM 327 NE ARG A 42 -14.241 -6.022 -0.564 1.00 0.00 ATOM 328 CZ ARG A 42 -15.412 -5.837 -1.159 1.00 0.00 ATOM 329 NH1 ARG A 42 -15.740 -6.557 -2.222 1.00 0.00 ATOM 330 NH2 ARG A 42 -16.250 -4.922 -0.685 1.00 0.00 ATOM 331 O ARG A 42 -8.583 -6.340 -1.199 1.00 0.00 ATOM 332 C ARG A 42 -9.228 -5.827 -0.287 1.00 0.00 ATOM 333 N ASP A 43 -9.130 -6.224 0.981 1.00 0.00 ATOM 334 CA ASP A 43 -8.295 -7.369 1.338 1.00 0.00 ATOM 335 CB ASP A 43 -7.845 -7.272 2.797 1.00 0.00 ATOM 336 CG ASP A 43 -8.995 -7.412 3.773 1.00 0.00 ATOM 337 OD1 ASP A 43 -10.097 -7.811 3.339 1.00 0.00 ATOM 338 OD2 ASP A 43 -8.797 -7.122 4.972 1.00 0.00 ATOM 339 O ASP A 43 -10.176 -8.784 0.772 1.00 0.00 ATOM 340 C ASP A 43 -9.054 -8.692 1.262 1.00 0.00 ATOM 341 N THR A 44 -8.387 -9.870 1.851 1.00 0.00 ATOM 342 CA THR A 44 -9.030 -11.193 1.650 1.00 0.00 ATOM 343 CB THR A 44 -8.019 -12.289 2.033 1.00 0.00 ATOM 344 CG2 THR A 44 -6.775 -12.196 1.162 1.00 0.00 ATOM 345 OG1 THR A 44 -7.637 -12.132 3.406 1.00 0.00 ATOM 346 O THR A 44 -11.004 -12.403 2.297 1.00 0.00 ATOM 347 C THR A 44 -10.282 -11.422 2.497 1.00 0.00 ATOM 348 N GLU A 45 -10.544 -10.501 3.422 1.00 0.00 ATOM 349 CA GLU A 45 -11.737 -10.554 4.262 1.00 0.00 ATOM 350 CB GLU A 45 -11.362 -10.300 5.724 1.00 0.00 ATOM 351 CG GLU A 45 -10.433 -11.347 6.318 1.00 0.00 ATOM 352 CD GLU A 45 -10.092 -11.068 7.768 1.00 0.00 ATOM 353 OE1 GLU A 45 -10.626 -10.086 8.325 1.00 0.00 ATOM 354 OE2 GLU A 45 -9.290 -11.830 8.347 1.00 0.00 ATOM 355 O GLU A 45 -13.762 -9.297 4.484 1.00 0.00 ATOM 356 C GLU A 45 -12.763 -9.535 3.806 1.00 0.00 ATOM 357 N GLY A 46 -12.521 -8.857 2.653 1.00 0.00 ATOM 358 CA GLY A 46 -13.467 -7.873 2.168 1.00 0.00 ATOM 359 O GLY A 46 -14.419 -5.843 3.009 1.00 0.00 ATOM 360 C GLY A 46 -13.420 -6.567 2.938 1.00 0.00 ATOM 361 N ARG A 47 -12.265 -6.266 3.531 1.00 0.00 ATOM 362 CA ARG A 47 -12.085 -5.034 4.298 1.00 0.00 ATOM 363 CB ARG A 47 -11.289 -5.309 5.570 1.00 0.00 ATOM 364 CG ARG A 47 -10.910 -4.041 6.350 1.00 0.00 ATOM 365 CD ARG A 47 -10.241 -4.348 7.684 1.00 0.00 ATOM 366 NE ARG A 47 -11.191 -4.917 8.629 1.00 0.00 ATOM 367 CZ ARG A 47 -11.683 -4.274 9.683 1.00 0.00 ATOM 368 NH1 ARG A 47 -11.314 -3.027 9.940 1.00 0.00 ATOM 369 NH2 ARG A 47 -12.583 -4.866 10.460 1.00 0.00 ATOM 370 O ARG A 47 -10.398 -4.395 2.717 1.00 0.00 ATOM 371 C ARG A 47 -11.279 -4.021 3.491 1.00 0.00 ATOM 372 N MET A 48 -11.614 -2.740 3.644 1.00 0.00 ATOM 373 CA MET A 48 -10.871 -1.674 2.980 1.00 0.00 ATOM 374 CB MET A 48 -11.594 -0.334 3.137 1.00 0.00 ATOM 375 CG MET A 48 -12.905 -0.245 2.372 1.00 0.00 ATOM 376 SD MET A 48 -13.749 1.329 2.620 1.00 0.00 ATOM 377 CE MET A 48 -12.710 2.425 1.657 1.00 0.00 ATOM 378 O MET A 48 -9.329 -1.438 4.806 1.00 0.00 ATOM 379 C MET A 48 -9.484 -1.499 3.586 1.00 0.00 ATOM 380 N VAL A 49 -8.492 -1.375 2.712 1.00 0.00 ATOM 381 CA VAL A 49 -7.117 -1.137 3.124 1.00 0.00 ATOM 382 CB VAL A 49 -6.237 -2.366 2.825 1.00 0.00 ATOM 383 CG1 VAL A 49 -6.718 -3.571 3.618 1.00 0.00 ATOM 384 CG2 VAL A 49 -6.288 -2.713 1.346 1.00 0.00 ATOM 385 O VAL A 49 -7.008 0.350 1.251 1.00 0.00 ATOM 386 C VAL A 49 -6.587 0.074 2.379 1.00 0.00 ATOM 387 N TRP A 50 -5.672 0.796 3.019 1.00 0.00 ATOM 388 CA TRP A 50 -5.210 2.080 2.506 1.00 0.00 ATOM 389 CB TRP A 50 -5.735 3.232 3.368 1.00 0.00 ATOM 390 CG TRP A 50 -7.217 3.461 3.336 1.00 0.00 ATOM 391 CD1 TRP A 50 -8.127 3.089 4.287 1.00 0.00 ATOM 392 CD2 TRP A 50 -7.957 4.179 2.331 1.00 0.00 ATOM 393 CE2 TRP A 50 -9.307 4.210 2.754 1.00 0.00 ATOM 394 CE3 TRP A 50 -7.607 4.790 1.119 1.00 0.00 ATOM 395 NE1 TRP A 50 -9.379 3.538 3.943 1.00 0.00 ATOM 396 CZ2 TRP A 50 -10.319 4.838 1.997 1.00 0.00 ATOM 397 CZ3 TRP A 50 -8.622 5.412 0.361 1.00 0.00 ATOM 398 CH2 TRP A 50 -9.956 5.430 0.812 1.00 0.00 ATOM 399 O TRP A 50 -3.006 1.546 3.293 1.00 0.00 ATOM 400 C TRP A 50 -3.701 2.191 2.504 1.00 0.00 ATOM 401 N ARG A 51 -3.198 2.887 1.497 1.00 0.00 ATOM 402 CA ARG A 51 -1.813 3.312 1.448 1.00 0.00 ATOM 403 CB ARG A 51 -1.100 2.665 0.260 1.00 0.00 ATOM 404 CG ARG A 51 0.361 3.064 0.121 1.00 0.00 ATOM 405 CD ARG A 51 1.019 2.351 -1.048 1.00 0.00 ATOM 406 NE ARG A 51 2.408 2.769 -1.232 1.00 0.00 ATOM 407 CZ ARG A 51 3.234 2.241 -2.130 1.00 0.00 ATOM 408 NH1 ARG A 51 4.480 2.684 -2.225 1.00 0.00 ATOM 409 NH2 ARG A 51 2.812 1.272 -2.930 1.00 0.00 ATOM 410 O ARG A 51 -2.372 5.356 0.329 1.00 0.00 ATOM 411 C ARG A 51 -1.791 4.817 1.276 1.00 0.00 ATOM 412 N ALA A 52 -1.111 5.490 2.191 1.00 0.00 ATOM 413 CA ALA A 52 -1.089 6.943 2.193 1.00 0.00 ATOM 414 CB ALA A 52 -1.144 7.448 3.627 1.00 0.00 ATOM 415 O ALA A 52 1.158 6.815 1.336 1.00 0.00 ATOM 416 C ALA A 52 0.161 7.522 1.542 1.00 0.00 ATOM 417 N TRP A 53 0.071 8.810 1.213 1.00 0.00 ATOM 418 CA TRP A 53 1.246 9.589 0.799 1.00 0.00 ATOM 419 CB TRP A 53 0.560 10.806 -0.125 1.00 0.00 ATOM 420 CG TRP A 53 1.577 11.848 -0.544 1.00 0.00 ATOM 421 CD1 TRP A 53 2.415 11.776 -1.624 1.00 0.00 ATOM 422 CD2 TRP A 53 2.007 12.982 0.211 1.00 0.00 ATOM 423 CE2 TRP A 53 3.045 13.605 -0.521 1.00 0.00 ATOM 424 CE3 TRP A 53 1.598 13.571 1.407 1.00 0.00 ATOM 425 NE1 TRP A 53 3.250 12.863 -1.660 1.00 0.00 ATOM 426 CZ2 TRP A 53 3.687 14.758 -0.076 1.00 0.00 ATOM 427 CZ3 TRP A 53 2.225 14.746 1.834 1.00 0.00 ATOM 428 CH2 TRP A 53 3.251 15.328 1.091 1.00 0.00 ATOM 429 O TRP A 53 3.461 10.167 1.461 1.00 0.00 ATOM 430 C TRP A 53 2.353 9.778 1.838 1.00 0.00 ATOM 431 N ASN A 54 2.063 9.453 3.167 1.00 0.00 ATOM 432 CA ASN A 54 3.110 9.470 4.186 1.00 0.00 ATOM 433 CB ASN A 54 3.056 10.729 5.029 1.00 0.00 ATOM 434 CG ASN A 54 1.814 10.845 5.916 1.00 0.00 ATOM 435 ND2 ASN A 54 0.836 11.628 5.481 1.00 0.00 ATOM 436 OD1 ASN A 54 1.758 10.261 6.995 1.00 0.00 ATOM 437 O ASN A 54 1.825 7.665 5.051 1.00 0.00 ATOM 438 C ASN A 54 2.872 8.298 5.114 1.00 0.00 ATOM 439 N PHE A 55 3.880 7.970 5.910 1.00 0.00 ATOM 440 CA PHE A 55 3.800 6.864 6.845 1.00 0.00 ATOM 441 CB PHE A 55 4.849 5.831 6.534 1.00 0.00 ATOM 442 CG PHE A 55 4.699 5.271 5.153 1.00 0.00 ATOM 443 CD1 PHE A 55 3.506 4.671 4.758 1.00 0.00 ATOM 444 CD2 PHE A 55 5.722 5.419 4.221 1.00 0.00 ATOM 445 CE1 PHE A 55 3.324 4.220 3.432 1.00 0.00 ATOM 446 CE2 PHE A 55 5.556 4.976 2.896 1.00 0.00 ATOM 447 CZ PHE A 55 4.357 4.381 2.502 1.00 0.00 ATOM 448 O PHE A 55 4.884 8.441 8.294 1.00 0.00 ATOM 449 C PHE A 55 4.240 7.382 8.197 1.00 0.00 ATOM 450 N GLU A 56 3.869 6.654 9.242 1.00 0.00 ATOM 451 CA GLU A 56 4.237 7.056 10.595 1.00 0.00 ATOM 452 CB GLU A 56 3.601 6.119 11.624 1.00 0.00 ATOM 453 CG GLU A 56 2.091 6.258 11.740 1.00 0.00 ATOM 454 CD GLU A 56 1.491 5.281 12.730 1.00 0.00 ATOM 455 OE1 GLU A 56 2.248 4.458 13.286 1.00 0.00 ATOM 456 OE2 GLU A 56 0.262 5.337 12.952 1.00 0.00 ATOM 457 O GLU A 56 6.454 6.226 10.200 1.00 0.00 ATOM 458 C GLU A 56 5.754 7.015 10.814 1.00 0.00 ATOM 459 N PRO A 57 6.267 7.887 11.673 1.00 0.00 ATOM 460 CA PRO A 57 7.705 7.898 11.927 1.00 0.00 ATOM 461 CB PRO A 57 7.882 8.965 13.008 1.00 0.00 ATOM 462 CG PRO A 57 6.722 9.885 12.820 1.00 0.00 ATOM 463 CD PRO A 57 5.560 9.014 12.428 1.00 0.00 ATOM 464 O PRO A 57 9.339 6.123 12.114 1.00 0.00 ATOM 465 C PRO A 57 8.207 6.519 12.394 1.00 0.00 ATOM 466 N ASP A 58 7.360 5.785 13.100 1.00 0.00 ATOM 467 CA ASP A 58 7.720 4.465 13.595 1.00 0.00 ATOM 468 CB ASP A 58 6.589 3.887 14.448 1.00 0.00 ATOM 469 CG ASP A 58 6.465 4.574 15.793 1.00 0.00 ATOM 470 OD1 ASP A 58 7.394 5.320 16.168 1.00 0.00 ATOM 471 OD2 ASP A 58 5.437 4.366 16.473 1.00 0.00 ATOM 472 O ASP A 58 8.974 2.766 12.474 1.00 0.00 ATOM 473 C ASP A 58 7.997 3.504 12.452 1.00 0.00 ATOM 474 N ALA A 59 7.141 3.506 11.449 1.00 0.00 ATOM 475 CA ALA A 59 7.303 2.656 10.277 1.00 0.00 ATOM 476 CB ALA A 59 6.106 2.799 9.350 1.00 0.00 ATOM 477 O ALA A 59 9.311 2.213 9.045 1.00 0.00 ATOM 478 C ALA A 59 8.564 3.065 9.530 1.00 0.00 ATOM 479 N GLY A 60 8.819 4.364 9.450 1.00 0.00 ATOM 480 CA GLY A 60 10.045 4.824 8.806 1.00 0.00 ATOM 481 O GLY A 60 12.232 3.820 8.859 1.00 0.00 ATOM 482 C GLY A 60 11.286 4.258 9.513 1.00 0.00 ATOM 483 N GLU A 61 11.263 4.236 10.847 1.00 0.00 ATOM 484 CA GLU A 61 12.401 3.688 11.601 1.00 0.00 ATOM 485 CB GLU A 61 12.202 3.905 13.103 1.00 0.00 ATOM 486 CG GLU A 61 12.306 5.357 13.540 1.00 0.00 ATOM 487 CD GLU A 61 11.982 5.548 15.008 1.00 0.00 ATOM 488 OE1 GLU A 61 11.607 4.557 15.668 1.00 0.00 ATOM 489 OE2 GLU A 61 12.103 6.690 15.499 1.00 0.00 ATOM 490 O GLU A 61 13.677 1.678 11.234 1.00 0.00 ATOM 491 C GLU A 61 12.557 2.187 11.351 1.00 0.00 ATOM 492 N GLY A 62 11.435 1.481 11.259 1.00 0.00 ATOM 493 CA GLY A 62 11.479 0.051 10.983 1.00 0.00 ATOM 494 O GLY A 62 12.931 -1.107 9.478 1.00 0.00 ATOM 495 C GLY A 62 12.149 -0.181 9.645 1.00 0.00 ATOM 496 N LEU A 63 11.822 0.675 8.689 1.00 0.00 ATOM 497 CA LEU A 63 12.393 0.535 7.370 1.00 0.00 ATOM 498 CB LEU A 63 11.735 1.545 6.412 1.00 0.00 ATOM 499 CG LEU A 63 12.293 1.590 4.988 1.00 0.00 ATOM 500 CD1 LEU A 63 12.120 0.244 4.311 1.00 0.00 ATOM 501 CD2 LEU A 63 11.568 2.678 4.206 1.00 0.00 ATOM 502 O LEU A 63 14.638 0.024 6.770 1.00 0.00 ATOM 503 C LEU A 63 13.893 0.728 7.431 1.00 0.00 ATOM 504 N ASN A 64 14.339 1.741 8.164 1.00 0.00 ATOM 505 CA ASN A 64 15.768 1.979 8.264 1.00 0.00 ATOM 506 CB ASN A 64 16.051 3.174 9.177 1.00 0.00 ATOM 507 CG ASN A 64 15.692 4.498 8.530 1.00 0.00 ATOM 508 ND2 ASN A 64 15.511 5.526 9.352 1.00 0.00 ATOM 509 OD1 ASN A 64 15.577 4.594 7.309 1.00 0.00 ATOM 510 O ASN A 64 17.537 0.370 8.360 1.00 0.00 ATOM 511 C ASN A 64 16.460 0.745 8.821 1.00 0.00 ATOM 512 N ARG A 65 15.836 0.123 9.815 1.00 0.00 ATOM 513 CA ARG A 65 16.387 -1.095 10.401 1.00 0.00 ATOM 514 CB ARG A 65 15.480 -1.612 11.518 1.00 0.00 ATOM 515 CG ARG A 65 15.478 -0.745 12.768 1.00 0.00 ATOM 516 CD ARG A 65 14.502 -1.273 13.805 1.00 0.00 ATOM 517 NE ARG A 65 14.466 -0.435 15.002 1.00 0.00 ATOM 518 CZ ARG A 65 13.647 -0.632 16.028 1.00 0.00 ATOM 519 NH1 ARG A 65 13.685 0.182 17.074 1.00 0.00 ATOM 520 NH2 ARG A 65 12.789 -1.643 16.008 1.00 0.00 ATOM 521 O ARG A 65 17.603 -2.869 9.329 1.00 0.00 ATOM 522 C ARG A 65 16.553 -2.229 9.391 1.00 0.00 ATOM 523 N TYR A 66 15.547 -2.422 8.549 1.00 0.00 ATOM 524 CA TYR A 66 15.609 -3.438 7.507 1.00 0.00 ATOM 525 CB TYR A 66 14.248 -3.545 6.805 1.00 0.00 ATOM 526 CG TYR A 66 13.128 -3.918 7.712 1.00 0.00 ATOM 527 CD1 TYR A 66 13.339 -4.480 8.972 1.00 0.00 ATOM 528 CD2 TYR A 66 11.822 -3.706 7.329 1.00 0.00 ATOM 529 CE1 TYR A 66 12.268 -4.758 9.836 1.00 0.00 ATOM 530 CE2 TYR A 66 10.728 -3.973 8.154 1.00 0.00 ATOM 531 CZ TYR A 66 10.973 -4.478 9.414 1.00 0.00 ATOM 532 OH TYR A 66 9.916 -4.730 10.272 1.00 0.00 ATOM 533 O TYR A 66 17.470 -3.960 6.057 1.00 0.00 ATOM 534 C TYR A 66 16.725 -3.088 6.513 1.00 0.00 ATOM 535 N ILE A 67 16.830 -1.812 6.145 1.00 0.00 ATOM 536 CA ILE A 67 17.901 -1.378 5.253 1.00 0.00 ATOM 537 CB ILE A 67 17.827 0.194 5.004 1.00 0.00 ATOM 538 CG1 ILE A 67 16.738 0.503 3.971 1.00 0.00 ATOM 539 CG2 ILE A 67 19.159 0.735 4.518 1.00 0.00 ATOM 540 CD1 ILE A 67 16.215 1.954 3.912 1.00 0.00 ATOM 541 O ILE A 67 20.190 -2.112 5.127 1.00 0.00 ATOM 542 C ILE A 67 19.269 -1.713 5.846 1.00 0.00 ATOM 543 N ARG A 68 19.421 -1.528 7.159 1.00 0.00 ATOM 544 CA ARG A 68 20.676 -1.840 7.830 1.00 0.00 ATOM 545 CB ARG A 68 20.561 -1.525 9.324 1.00 0.00 ATOM 546 CG ARG A 68 20.531 -0.040 9.643 1.00 0.00 ATOM 547 CD ARG A 68 20.343 0.200 11.132 1.00 0.00 ATOM 548 NE ARG A 68 20.284 1.624 11.455 1.00 0.00 ATOM 549 CZ ARG A 68 20.053 2.106 12.672 1.00 0.00 ATOM 550 NH1 ARG A 68 20.018 3.418 12.869 1.00 0.00 ATOM 551 NH2 ARG A 68 19.858 1.277 13.688 1.00 0.00 ATOM 552 O ARG A 68 22.167 -3.692 7.449 1.00 0.00 ATOM 553 C ARG A 68 21.007 -3.319 7.664 1.00 0.00 ATOM 554 N THR A 69 19.986 -4.160 7.776 1.00 0.00 ATOM 555 CA THR A 69 20.151 -5.599 7.664 1.00 0.00 ATOM 556 CB THR A 69 18.810 -6.335 7.844 1.00 0.00 ATOM 557 CG2 THR A 69 19.004 -7.836 7.698 1.00 0.00 ATOM 558 OG1 THR A 69 18.282 -6.060 9.148 1.00 0.00 ATOM 559 O THR A 69 21.436 -6.965 6.183 1.00 0.00 ATOM 560 C THR A 69 20.724 -5.976 6.311 1.00 0.00 ATOM 561 N SER A 70 20.426 -5.157 5.313 1.00 0.00 ATOM 562 CA SER A 70 20.872 -5.409 3.956 1.00 0.00 ATOM 563 CB SER A 70 19.784 -5.005 2.957 1.00 0.00 ATOM 564 OG SER A 70 19.519 -3.617 3.024 1.00 0.00 ATOM 565 O SER A 70 22.798 -5.004 2.582 1.00 0.00 ATOM 566 C SER A 70 22.219 -4.757 3.651 1.00 0.00 ATOM 567 N GLY A 71 22.682 -3.916 4.561 1.00 0.00 ATOM 568 CA GLY A 71 23.949 -3.246 4.341 1.00 0.00 ATOM 569 O GLY A 71 24.895 -1.313 3.265 1.00 0.00 ATOM 570 C GLY A 71 23.879 -1.852 3.724 1.00 0.00 ATOM 571 N ILE A 72 22.686 -1.261 3.685 1.00 0.00 ATOM 572 CA ILE A 72 22.554 0.074 3.113 1.00 0.00 ATOM 573 CB ILE A 72 21.045 0.389 2.968 1.00 0.00 ATOM 574 CG1 ILE A 72 20.490 -0.496 1.843 1.00 0.00 ATOM 575 CG2 ILE A 72 20.807 1.872 2.824 1.00 0.00 ATOM 576 CD1 ILE A 72 19.005 -0.424 1.584 1.00 0.00 ATOM 577 O ILE A 72 23.158 0.925 5.269 1.00 0.00 ATOM 578 C ILE A 72 23.235 1.048 4.037 1.00 0.00 ATOM 579 N ARG A 73 23.904 2.032 3.435 1.00 0.00 ATOM 580 CA ARG A 73 24.570 3.074 4.199 1.00 0.00 ATOM 581 CB ARG A 73 25.388 3.878 3.082 1.00 0.00 ATOM 582 CG ARG A 73 26.525 3.030 2.569 1.00 0.00 ATOM 583 CD ARG A 73 27.373 3.759 1.555 1.00 0.00 ATOM 584 NE ARG A 73 28.362 2.856 0.971 1.00 0.00 ATOM 585 CZ ARG A 73 29.450 2.416 1.596 1.00 0.00 ATOM 586 NH1 ARG A 73 29.719 2.793 2.845 1.00 0.00 ATOM 587 NH2 ARG A 73 30.268 1.580 0.968 1.00 0.00 ATOM 588 O ARG A 73 22.375 4.055 4.185 1.00 0.00 ATOM 589 C ARG A 73 23.540 4.133 4.587 1.00 0.00 ATOM 590 N THR A 74 23.900 5.078 5.396 1.00 0.00 ATOM 591 CA THR A 74 22.970 6.119 5.811 1.00 0.00 ATOM 592 CB THR A 74 23.571 7.067 6.804 1.00 0.00 ATOM 593 CG2 THR A 74 23.817 6.366 8.120 1.00 0.00 ATOM 594 OG1 THR A 74 24.838 7.575 6.351 1.00 0.00 ATOM 595 O THR A 74 21.338 7.303 4.513 1.00 0.00 ATOM 596 C THR A 74 22.510 6.939 4.598 1.00 0.00 ATOM 597 N ASP A 75 23.458 7.152 3.657 1.00 0.00 ATOM 598 CA ASP A 75 23.040 7.922 2.489 1.00 0.00 ATOM 599 CB ASP A 75 24.215 8.238 1.604 1.00 0.00 ATOM 600 CG ASP A 75 25.199 9.186 2.260 1.00 0.00 ATOM 601 OD1 ASP A 75 24.855 9.774 3.312 1.00 0.00 ATOM 602 OD2 ASP A 75 26.310 9.345 1.709 1.00 0.00 ATOM 603 O ASP A 75 20.975 7.689 1.283 1.00 0.00 ATOM 604 C ASP A 75 21.990 7.137 1.702 1.00 0.00 ATOM 605 N THR A 76 22.206 5.832 1.550 1.00 0.00 ATOM 606 CA THR A 76 21.250 5.008 0.826 1.00 0.00 ATOM 607 CB THR A 76 21.880 3.584 0.607 1.00 0.00 ATOM 608 CG2 THR A 76 20.919 2.680 -0.155 1.00 0.00 ATOM 609 OG1 THR A 76 23.104 3.703 -0.127 1.00 0.00 ATOM 610 O THR A 76 18.858 5.053 0.908 1.00 0.00 ATOM 611 C THR A 76 19.903 4.921 1.537 1.00 0.00 ATOM 612 N ALA A 77 19.933 4.742 2.839 1.00 0.00 ATOM 613 CA ALA A 77 18.705 4.657 3.622 1.00 0.00 ATOM 614 CB ALA A 77 18.997 4.304 5.052 1.00 0.00 ATOM 615 O ALA A 77 16.695 5.950 3.411 1.00 0.00 ATOM 616 C ALA A 77 17.925 5.960 3.548 1.00 0.00 ATOM 617 N THR A 78 18.639 7.064 3.650 1.00 0.00 ATOM 618 CA THR A 78 17.996 8.375 3.603 1.00 0.00 ATOM 619 CB THR A 78 18.953 9.523 3.979 1.00 0.00 ATOM 620 CG2 THR A 78 19.406 9.373 5.419 1.00 0.00 ATOM 621 OG1 THR A 78 20.101 9.501 3.128 1.00 0.00 ATOM 622 O THR A 78 16.322 9.281 2.135 1.00 0.00 ATOM 623 C THR A 78 17.367 8.639 2.232 1.00 0.00 ATOM 624 N ARG A 79 17.992 8.133 1.182 1.00 0.00 ATOM 625 CA ARG A 79 17.494 8.316 -0.173 1.00 0.00 ATOM 626 CB ARG A 79 18.444 7.807 -1.233 1.00 0.00 ATOM 627 CG ARG A 79 19.636 8.743 -1.416 1.00 0.00 ATOM 628 CD ARG A 79 20.671 8.103 -2.337 1.00 0.00 ATOM 629 NE ARG A 79 21.874 8.922 -2.399 1.00 0.00 ATOM 630 CZ ARG A 79 22.049 9.954 -3.217 1.00 0.00 ATOM 631 NH1 ARG A 79 21.097 10.296 -4.072 1.00 0.00 ATOM 632 NH2 ARG A 79 23.195 10.624 -3.183 1.00 0.00 ATOM 633 O ARG A 79 15.212 8.132 -0.990 1.00 0.00 ATOM 634 C ARG A 79 16.128 7.601 -0.348 1.00 0.00 ATOM 635 N LEU A 80 16.006 6.377 0.219 1.00 0.00 ATOM 636 CA LEU A 80 14.752 5.607 0.138 1.00 0.00 ATOM 637 CB LEU A 80 14.856 4.241 0.734 1.00 0.00 ATOM 638 CG LEU A 80 15.744 3.244 -0.011 1.00 0.00 ATOM 639 CD1 LEU A 80 15.549 1.854 0.634 1.00 0.00 ATOM 640 CD2 LEU A 80 15.387 3.202 -1.502 1.00 0.00 ATOM 641 O LEU A 80 12.486 6.510 0.449 1.00 0.00 ATOM 642 C LEU A 80 13.641 6.381 0.887 1.00 0.00 ATOM 643 N GLU A 81 14.020 6.949 2.008 1.00 0.00 ATOM 644 CA GLU A 81 13.060 7.711 2.763 1.00 0.00 ATOM 645 CB GLU A 81 13.711 8.144 4.087 1.00 0.00 ATOM 646 CG GLU A 81 12.880 9.115 4.907 1.00 0.00 ATOM 647 CD GLU A 81 13.459 9.356 6.291 1.00 0.00 ATOM 648 OE1 GLU A 81 14.698 9.441 6.417 1.00 0.00 ATOM 649 OE2 GLU A 81 12.674 9.477 7.251 1.00 0.00 ATOM 650 O GLU A 81 11.415 9.262 2.016 1.00 0.00 ATOM 651 C GLU A 81 12.602 8.923 1.982 1.00 0.00 ATOM 652 N HIS A 82 13.553 9.602 1.324 1.00 0.00 ATOM 653 CA HIS A 82 13.221 10.821 0.549 1.00 0.00 ATOM 654 CB HIS A 82 14.431 11.576 0.091 1.00 0.00 ATOM 655 CG HIS A 82 15.178 12.261 1.192 1.00 0.00 ATOM 656 CD2 HIS A 82 16.429 12.077 1.672 1.00 0.00 ATOM 657 ND1 HIS A 82 14.618 13.262 1.956 1.00 0.00 ATOM 658 CE1 HIS A 82 15.492 13.664 2.862 1.00 0.00 ATOM 659 NE2 HIS A 82 16.600 12.961 2.711 1.00 0.00 ATOM 660 O HIS A 82 11.346 11.256 -0.886 1.00 0.00 ATOM 661 C HIS A 82 12.316 10.533 -0.655 1.00 0.00 ATOM 662 N HIS A 83 12.806 9.475 -1.447 1.00 0.00 ATOM 663 CA HIS A 83 12.132 9.237 -2.746 1.00 0.00 ATOM 664 CB HIS A 83 13.261 8.368 -3.532 1.00 0.00 ATOM 665 CG HIS A 83 14.549 9.088 -3.730 1.00 0.00 ATOM 666 CD2 HIS A 83 14.942 10.405 -3.694 1.00 0.00 ATOM 667 ND1 HIS A 83 15.689 8.376 -4.045 1.00 0.00 ATOM 668 CE1 HIS A 83 16.743 9.188 -4.151 1.00 0.00 ATOM 669 NE2 HIS A 83 16.318 10.439 -3.946 1.00 0.00 ATOM 670 O HIS A 83 9.883 8.672 -3.334 1.00 0.00 ATOM 671 C HIS A 83 10.842 8.439 -2.598 1.00 0.00 ATOM 672 N HIS A 84 10.709 7.562 -1.621 1.00 0.00 ATOM 673 CA HIS A 84 9.532 6.714 -1.453 1.00 0.00 ATOM 674 CB HIS A 84 9.678 5.306 -1.765 1.00 0.00 ATOM 675 CG HIS A 84 10.040 5.000 -3.158 1.00 0.00 ATOM 676 CD2 HIS A 84 9.299 4.629 -4.227 1.00 0.00 ATOM 677 ND1 HIS A 84 11.342 5.048 -3.615 1.00 0.00 ATOM 678 CE1 HIS A 84 11.339 4.736 -4.927 1.00 0.00 ATOM 679 NE2 HIS A 84 10.087 4.468 -5.348 1.00 0.00 ATOM 680 O HIS A 84 7.711 6.660 0.013 1.00 0.00 ATOM 681 C HIS A 84 8.898 6.849 -0.092 1.00 0.00 ATOM 682 N HIS A 85 9.652 7.095 0.961 1.00 0.00 ATOM 683 CA HIS A 85 9.111 7.122 2.316 1.00 0.00 ATOM 684 CB HIS A 85 10.246 7.343 3.324 1.00 0.00 ATOM 685 CG HIS A 85 9.835 7.149 4.750 1.00 0.00 ATOM 686 CD2 HIS A 85 9.873 7.986 5.815 1.00 0.00 ATOM 687 ND1 HIS A 85 9.312 5.962 5.216 1.00 0.00 ATOM 688 CE1 HIS A 85 9.047 6.075 6.507 1.00 0.00 ATOM 689 NE2 HIS A 85 9.378 7.294 6.894 1.00 0.00 ATOM 690 O HIS A 85 6.981 7.847 3.143 1.00 0.00 ATOM 691 C HIS A 85 7.993 8.145 2.507 1.00 0.00 ATOM 692 N HIS A 86 8.154 9.351 1.963 1.00 0.00 ATOM 693 CA HIS A 86 7.126 10.378 2.104 1.00 0.00 ATOM 694 CB HIS A 86 7.556 11.697 1.502 1.00 0.00 ATOM 695 CG HIS A 86 8.691 12.339 2.237 1.00 0.00 ATOM 696 CD2 HIS A 86 9.834 12.913 1.789 1.00 0.00 ATOM 697 ND1 HIS A 86 8.723 12.447 3.610 1.00 0.00 ATOM 698 CE1 HIS A 86 9.844 13.043 3.978 1.00 0.00 ATOM 699 NE2 HIS A 86 10.531 13.345 2.891 1.00 0.00 ATOM 700 O HIS A 86 4.738 10.408 1.941 1.00 0.00 ATOM 701 C HIS A 86 5.795 9.972 1.488 1.00 0.00 ATOM 702 N HIS A 87 5.851 9.091 0.497 1.00 0.00 ATOM 703 CA HIS A 87 4.644 8.603 -0.158 1.00 0.00 ATOM 704 CB HIS A 87 4.972 8.124 -1.573 1.00 0.00 ATOM 705 CG HIS A 87 5.375 9.226 -2.504 1.00 0.00 ATOM 706 CD2 HIS A 87 6.545 9.891 -2.643 1.00 0.00 ATOM 707 ND1 HIS A 87 4.514 9.769 -3.433 1.00 0.00 ATOM 708 CE1 HIS A 87 5.137 10.719 -4.104 1.00 0.00 ATOM 709 NE2 HIS A 87 6.371 10.815 -3.645 1.00 0.00 ATOM 710 O HIS A 87 2.808 7.229 0.547 1.00 0.00 ATOM 711 C HIS A 87 4.015 7.459 0.630 1.00 0.00 ENDMDL EXPDTA 2hjjA MODEL 2 REMARK 44 REMARK 44 model 2 is called 2hjjA ATOM 1 N GLY 10 11.624 3.342 4.919 1.00 0.00 ATOM 2 CA GLY 10 10.677 4.415 5.181 1.00 0.00 ATOM 3 O GLY 10 8.707 3.661 4.057 1.00 0.00 ATOM 4 C GLY 10 9.589 4.518 4.125 1.00 0.00 ATOM 5 N PRO 11 9.608 5.581 3.301 1.00 0.00 ATOM 6 CA PRO 11 8.653 5.743 2.211 1.00 0.00 ATOM 7 CB PRO 11 8.792 7.215 1.825 1.00 0.00 ATOM 8 CG PRO 11 10.169 7.607 2.238 1.00 0.00 ATOM 9 CD PRO 11 10.555 6.708 3.383 1.00 0.00 ATOM 10 O PRO 11 10.009 4.166 0.998 1.00 0.00 ATOM 11 C PRO 11 8.978 4.843 1.022 1.00 0.00 ATOM 12 N PHE 12 8.105 4.847 0.031 1.00 0.00 ATOM 13 CA PHE 12 8.274 3.995 -1.138 1.00 0.00 ATOM 14 CB PHE 12 7.217 2.886 -1.153 1.00 0.00 ATOM 15 CG PHE 12 5.790 3.367 -1.064 1.00 0.00 ATOM 16 CD1 PHE 12 5.265 3.800 0.142 1.00 0.00 ATOM 17 CD2 PHE 12 4.969 3.363 -2.179 1.00 0.00 ATOM 18 CE1 PHE 12 3.955 4.216 0.236 1.00 0.00 ATOM 19 CE2 PHE 12 3.654 3.782 -2.089 1.00 0.00 ATOM 20 CZ PHE 12 3.149 4.209 -0.879 1.00 0.00 ATOM 21 O PHE 12 8.119 6.031 -2.392 1.00 0.00 ATOM 22 C PHE 12 8.202 4.807 -2.422 1.00 0.00 ATOM 23 N THR 13 8.244 4.113 -3.545 1.00 0.00 ATOM 24 CA THR 13 8.156 4.748 -4.847 1.00 0.00 ATOM 25 CB THR 13 9.447 4.536 -5.666 1.00 0.00 ATOM 26 CG2 THR 13 10.666 4.967 -4.870 1.00 0.00 ATOM 27 OG1 THR 13 9.588 3.153 -6.025 1.00 0.00 ATOM 28 O THR 13 6.373 3.190 -5.199 1.00 0.00 ATOM 29 C THR 13 6.978 4.177 -5.623 1.00 0.00 ATOM 30 N ARG 14 6.655 4.799 -6.748 1.00 0.00 ATOM 31 CA ARG 14 5.606 4.304 -7.630 1.00 0.00 ATOM 32 CB ARG 14 5.461 5.241 -8.825 1.00 0.00 ATOM 33 CG ARG 14 4.090 5.194 -9.486 1.00 0.00 ATOM 34 CD ARG 14 3.871 6.392 -10.400 1.00 0.00 ATOM 35 NE ARG 14 2.602 6.311 -11.126 1.00 0.00 ATOM 36 CZ ARG 14 1.484 6.941 -10.760 1.00 0.00 ATOM 37 NH1 ARG 14 1.464 7.703 -9.674 1.00 0.00 ATOM 38 NH2 ARG 14 0.386 6.833 -11.495 1.00 0.00 ATOM 39 O ARG 14 5.069 2.032 -8.205 1.00 0.00 ATOM 40 C ARG 14 5.940 2.894 -8.104 1.00 0.00 ATOM 41 N ARG 15 7.217 2.672 -8.394 1.00 0.00 ATOM 42 CA ARG 15 7.694 1.360 -8.806 1.00 0.00 ATOM 43 CB ARG 15 9.147 1.430 -9.269 1.00 0.00 ATOM 44 CG ARG 15 9.400 2.405 -10.406 1.00 0.00 ATOM 45 CD ARG 15 10.689 2.073 -11.140 1.00 0.00 ATOM 46 NE ARG 15 11.803 1.809 -10.226 1.00 0.00 ATOM 47 CZ ARG 15 13.055 1.576 -10.624 1.00 0.00 ATOM 48 NH1 ARG 15 13.368 1.615 -11.913 1.00 0.00 ATOM 49 NH2 ARG 15 13.996 1.298 -9.730 1.00 0.00 ATOM 50 O ARG 15 6.997 -0.723 -7.845 1.00 0.00 ATOM 51 C ARG 15 7.574 0.349 -7.668 1.00 0.00 ATOM 52 N GLN 16 8.120 0.699 -6.502 1.00 0.00 ATOM 53 CA GLN 16 8.069 -0.181 -5.334 1.00 0.00 ATOM 54 CB GLN 16 8.724 0.485 -4.125 1.00 0.00 ATOM 55 CG GLN 16 10.243 0.417 -4.122 1.00 0.00 ATOM 56 CD GLN 16 10.754 -0.988 -3.867 1.00 0.00 ATOM 57 OE1 GLN 16 10.104 -1.783 -3.192 1.00 0.00 ATOM 58 NE2 GLN 16 11.929 -1.300 -4.387 1.00 0.00 ATOM 59 O GLN 16 6.323 -1.721 -4.799 1.00 0.00 ATOM 60 C GLN 16 6.633 -0.551 -4.997 1.00 0.00 ATOM 61 N ALA 17 5.763 0.457 -4.951 1.00 0.00 ATOM 62 CA ALA 17 4.338 0.242 -4.683 1.00 0.00 ATOM 63 CB ALA 17 3.560 1.531 -4.901 1.00 0.00 ATOM 64 O ALA 17 3.158 -1.817 -5.082 1.00 0.00 ATOM 65 C ALA 17 3.776 -0.864 -5.570 1.00 0.00 ATOM 66 N GLN 18 4.021 -0.746 -6.870 1.00 0.00 ATOM 67 CA GLN 18 3.562 -1.731 -7.836 1.00 0.00 ATOM 68 CB GLN 18 4.070 -1.371 -9.226 1.00 0.00 ATOM 69 CG GLN 18 3.352 -0.190 -9.856 1.00 0.00 ATOM 70 CD GLN 18 3.994 0.254 -11.155 1.00 0.00 ATOM 71 OE1 GLN 18 3.651 -0.232 -12.233 1.00 0.00 ATOM 72 NE2 GLN 18 4.938 1.177 -11.060 1.00 0.00 ATOM 73 O GLN 18 3.274 -4.092 -7.576 1.00 0.00 ATOM 74 C GLN 18 4.031 -3.133 -7.468 1.00 0.00 ATOM 75 N ALA 19 5.268 -3.242 -7.005 1.00 0.00 ATOM 76 CA ALA 19 5.861 -4.533 -6.680 1.00 0.00 ATOM 77 CB ALA 19 7.363 -4.387 -6.488 1.00 0.00 ATOM 78 O ALA 19 5.168 -6.376 -5.301 1.00 0.00 ATOM 79 C ALA 19 5.226 -5.150 -5.437 1.00 0.00 ATOM 80 N VAL 20 4.686 -4.310 -4.561 1.00 0.00 ATOM 81 CA VAL 20 4.181 -4.788 -3.285 1.00 0.00 ATOM 82 CB VAL 20 4.286 -3.718 -2.171 1.00 0.00 ATOM 83 CG1 VAL 20 3.988 -4.323 -0.808 1.00 0.00 ATOM 84 CG2 VAL 20 5.659 -3.066 -2.167 1.00 0.00 ATOM 85 O VAL 20 2.166 -5.965 -2.749 1.00 0.00 ATOM 86 C VAL 20 2.736 -5.164 -3.481 1.00 0.00 ATOM 87 N THR 21 2.185 -4.621 -4.546 1.00 0.00 ATOM 88 CA THR 21 0.791 -4.781 -4.855 1.00 0.00 ATOM 89 CB THR 21 0.229 -3.479 -5.428 1.00 0.00 ATOM 90 CG2 THR 21 -1.266 -3.542 -5.471 1.00 0.00 ATOM 91 OG1 THR 21 0.625 -2.372 -4.607 1.00 0.00 ATOM 92 O THR 21 -0.381 -6.584 -5.932 1.00 0.00 ATOM 93 C THR 21 0.644 -5.907 -5.858 1.00 0.00 ATOM 94 N THR 22 1.696 -6.084 -6.636 1.00 0.00 ATOM 95 CA THR 22 1.846 -7.250 -7.469 1.00 0.00 ATOM 96 CB THR 22 3.106 -7.115 -8.342 1.00 0.00 ATOM 97 CG2 THR 22 3.445 -8.418 -9.032 1.00 0.00 ATOM 98 OG1 THR 22 2.916 -6.077 -9.312 1.00 0.00 ATOM 99 O THR 22 1.406 -9.545 -6.893 1.00 0.00 ATOM 100 C THR 22 1.946 -8.483 -6.581 1.00 0.00 ATOM 101 N THR 23 2.633 -8.319 -5.457 1.00 0.00 ATOM 102 CA THR 23 2.733 -9.373 -4.472 1.00 0.00 ATOM 103 CB THR 23 3.912 -9.124 -3.518 1.00 0.00 ATOM 104 CG2 THR 23 4.103 -10.297 -2.565 1.00 0.00 ATOM 105 OG1 THR 23 5.109 -8.929 -4.281 1.00 0.00 ATOM 106 O THR 23 0.815 -10.558 -3.649 1.00 0.00 ATOM 107 C THR 23 1.432 -9.494 -3.678 1.00 0.00 ATOM 108 N TYR 24 0.999 -8.409 -3.047 1.00 0.00 ATOM 109 CA TYR 24 -0.206 -8.446 -2.262 1.00 0.00 ATOM 110 CB TYR 24 0.052 -7.808 -0.894 1.00 0.00 ATOM 111 CG TYR 24 1.234 -8.413 -0.165 1.00 0.00 ATOM 112 CD1 TYR 24 1.130 -9.630 0.491 1.00 0.00 ATOM 113 CD2 TYR 24 2.463 -7.764 -0.152 1.00 0.00 ATOM 114 CE1 TYR 24 2.220 -10.187 1.136 1.00 0.00 ATOM 115 CE2 TYR 24 3.554 -8.311 0.494 1.00 0.00 ATOM 116 CZ TYR 24 3.429 -9.522 1.137 1.00 0.00 ATOM 117 OH TYR 24 4.520 -10.080 1.769 1.00 0.00 ATOM 118 O TYR 24 -1.386 -6.502 -3.027 1.00 0.00 ATOM 119 C TYR 24 -1.321 -7.727 -3.012 1.00 0.00 ATOM 120 N SER 25 -2.178 -8.501 -3.660 1.00 0.00 ATOM 121 CA SER 25 -3.278 -7.957 -4.447 1.00 0.00 ATOM 122 CB SER 25 -3.882 -9.069 -5.299 1.00 0.00 ATOM 123 OG SER 25 -3.982 -10.271 -4.550 1.00 0.00 ATOM 124 O SER 25 -5.313 -6.741 -4.029 1.00 0.00 ATOM 125 C SER 25 -4.341 -7.332 -3.551 1.00 0.00 ATOM 126 N ASN 26 -4.147 -7.467 -2.248 1.00 0.00 ATOM 127 CA ASN 26 -5.030 -6.854 -1.277 1.00 0.00 ATOM 128 CB ASN 26 -4.990 -7.620 0.051 1.00 0.00 ATOM 129 CG ASN 26 -3.638 -7.549 0.741 1.00 0.00 ATOM 130 ND2 ASN 26 -3.528 -6.698 1.748 1.00 0.00 ATOM 131 OD1 ASN 26 -2.715 -8.287 0.398 1.00 0.00 ATOM 132 O ASN 26 -5.333 -4.648 -0.400 1.00 0.00 ATOM 133 C ASN 26 -4.639 -5.396 -1.076 1.00 0.00 ATOM 134 N ILE 27 -3.519 -4.999 -1.670 1.00 0.00 ATOM 135 CA ILE 27 -3.116 -3.603 -1.670 1.00 0.00 ATOM 136 CB ILE 27 -1.577 -3.436 -1.692 1.00 0.00 ATOM 137 CG1 ILE 27 -0.881 -4.521 -0.861 1.00 0.00 ATOM 138 CG2 ILE 27 -1.186 -2.048 -1.198 1.00 0.00 ATOM 139 CD1 ILE 27 0.577 -4.230 -0.578 1.00 0.00 ATOM 140 O ILE 27 -4.057 -3.610 -3.868 1.00 0.00 ATOM 141 C ILE 27 -3.705 -2.930 -2.906 1.00 0.00 ATOM 142 N THR 28 -3.831 -1.610 -2.887 1.00 0.00 ATOM 143 CA THR 28 -4.363 -0.891 -4.035 1.00 0.00 ATOM 144 CB THR 28 -5.906 -0.884 -4.036 1.00 0.00 ATOM 145 CG2 THR 28 -6.444 -1.828 -5.099 1.00 0.00 ATOM 146 OG1 THR 28 -6.410 -1.268 -2.744 1.00 0.00 ATOM 147 O THR 28 -3.788 1.222 -3.066 1.00 0.00 ATOM 148 C THR 28 -3.840 0.538 -4.084 1.00 0.00 ATOM 149 N LEU 29 -3.435 0.976 -5.266 1.00 0.00 ATOM 150 CA LEU 29 -2.913 2.323 -5.441 1.00 0.00 ATOM 151 CB LEU 29 -1.832 2.327 -6.534 1.00 0.00 ATOM 152 CG LEU 29 -0.954 3.585 -6.620 1.00 0.00 ATOM 153 CD1 LEU 29 0.324 3.281 -7.379 1.00 0.00 ATOM 154 CD2 LEU 29 -1.690 4.726 -7.305 1.00 0.00 ATOM 155 O LEU 29 -4.618 3.197 -6.887 1.00 0.00 ATOM 156 C LEU 29 -4.051 3.274 -5.796 1.00 0.00 ATOM 157 N GLU 30 -4.399 4.153 -4.867 1.00 0.00 ATOM 158 CA GLU 30 -5.463 5.121 -5.096 1.00 0.00 ATOM 159 CB GLU 30 -6.728 4.746 -4.313 1.00 0.00 ATOM 160 CG GLU 30 -7.238 3.346 -4.617 1.00 0.00 ATOM 161 CD GLU 30 -8.667 3.132 -4.172 1.00 0.00 ATOM 162 OE1 GLU 30 -8.911 3.040 -2.957 1.00 0.00 ATOM 163 OE2 GLU 30 -9.557 3.041 -5.047 1.00 0.00 ATOM 164 O GLU 30 -3.880 6.692 -4.222 1.00 0.00 ATOM 165 C GLU 30 -5.001 6.519 -4.707 1.00 0.00 ATOM 166 N ASP 31 -5.869 7.505 -4.936 1.00 0.00 ATOM 167 CA ASP 31 -5.565 8.909 -4.641 1.00 0.00 ATOM 168 CB ASP 31 -5.288 9.115 -3.148 1.00 0.00 ATOM 169 CG ASP 31 -6.551 9.082 -2.311 1.00 0.00 ATOM 170 OD1 ASP 31 -7.286 10.089 -2.306 1.00 0.00 ATOM 171 OD2 ASP 31 -6.804 8.059 -1.636 1.00 0.00 ATOM 172 O ASP 31 -3.641 10.283 -5.044 1.00 0.00 ATOM 173 C ASP 31 -4.381 9.392 -5.463 1.00 0.00 ATOM 174 N ASP 32 -4.238 8.823 -6.652 1.00 0.00 ATOM 175 CA ASP 32 -3.101 9.112 -7.516 1.00 0.00 ATOM 176 CB ASP 32 -3.010 8.083 -8.642 1.00 0.00 ATOM 177 CG ASP 32 -1.849 8.347 -9.581 1.00 0.00 ATOM 178 OD1 ASP 32 -1.954 7.990 -10.772 1.00 0.00 ATOM 179 OD2 ASP 32 -0.824 8.905 -9.133 1.00 0.00 ATOM 180 O ASP 32 -4.163 10.884 -8.750 1.00 0.00 ATOM 181 C ASP 32 -3.181 10.516 -8.097 1.00 0.00 ATOM 182 N GLN 33 -2.142 11.288 -7.836 1.00 0.00 ATOM 183 CA GLN 33 -2.023 12.650 -8.330 1.00 0.00 ATOM 184 CB GLN 33 -2.293 13.630 -7.179 1.00 0.00 ATOM 185 CG GLN 33 -2.352 15.096 -7.586 1.00 0.00 ATOM 186 CD GLN 33 -2.453 16.021 -6.388 1.00 0.00 ATOM 187 OE1 GLN 33 -1.439 16.447 -5.830 1.00 0.00 ATOM 188 NE2 GLN 33 -3.672 16.341 -5.985 1.00 0.00 ATOM 189 O GLN 33 -0.145 13.977 -9.077 1.00 0.00 ATOM 190 C GLN 33 -0.616 12.853 -8.902 1.00 0.00 ATOM 191 N GLY 34 0.054 11.744 -9.193 1.00 0.00 ATOM 192 CA GLY 34 1.415 11.803 -9.690 1.00 0.00 ATOM 193 O GLY 34 2.660 10.022 -8.691 1.00 0.00 ATOM 194 C GLY 34 2.400 11.224 -8.695 1.00 0.00 ATOM 195 N SER 35 2.946 12.077 -7.844 1.00 0.00 ATOM 196 CA SER 35 3.815 11.621 -6.772 1.00 0.00 ATOM 197 CB SER 35 5.032 12.539 -6.631 1.00 0.00 ATOM 198 OG SER 35 5.996 11.985 -5.748 1.00 0.00 ATOM 199 O SER 35 3.430 10.984 -4.484 1.00 0.00 ATOM 200 C SER 35 3.018 11.585 -5.475 1.00 0.00 ATOM 201 N HIS 36 1.867 12.245 -5.495 1.00 0.00 ATOM 202 CA HIS 36 0.947 12.215 -4.371 1.00 0.00 ATOM 203 CB HIS 36 0.217 13.553 -4.211 1.00 0.00 ATOM 204 CG HIS 36 1.114 14.708 -3.891 1.00 0.00 ATOM 205 CD2 HIS 36 2.245 14.772 -3.155 1.00 0.00 ATOM 206 ND1 HIS 36 0.869 15.990 -4.325 1.00 0.00 ATOM 207 CE1 HIS 36 1.811 16.794 -3.868 1.00 0.00 ATOM 208 NE2 HIS 36 2.662 16.081 -3.150 1.00 0.00 ATOM 209 O HIS 36 -0.928 11.208 -5.442 1.00 0.00 ATOM 210 C HIS 36 -0.067 11.107 -4.579 1.00 0.00 ATOM 211 N PHE 37 0.065 10.043 -3.810 1.00 0.00 ATOM 212 CA PHE 37 -0.847 8.911 -3.884 1.00 0.00 ATOM 213 CB PHE 37 -0.595 8.064 -5.146 1.00 0.00 ATOM 214 CG PHE 37 0.772 7.440 -5.226 1.00 0.00 ATOM 215 CD1 PHE 37 0.995 6.162 -4.737 1.00 0.00 ATOM 216 CD2 PHE 37 1.829 8.126 -5.802 1.00 0.00 ATOM 217 CE1 PHE 37 2.246 5.583 -4.818 1.00 0.00 ATOM 218 CE2 PHE 37 3.083 7.553 -5.885 1.00 0.00 ATOM 219 CZ PHE 37 3.291 6.279 -5.393 1.00 0.00 ATOM 220 O PHE 37 0.326 8.193 -1.933 1.00 0.00 ATOM 221 C PHE 37 -0.679 8.063 -2.638 1.00 0.00 ATOM 222 N ARG 38 -1.649 7.214 -2.351 1.00 0.00 ATOM 223 CA ARG 38 -1.558 6.360 -1.178 1.00 0.00 ATOM 224 CB ARG 38 -2.321 6.966 0.006 1.00 0.00 ATOM 225 CG ARG 38 -3.775 7.302 -0.263 1.00 0.00 ATOM 226 CD ARG 38 -4.407 7.930 0.969 1.00 0.00 ATOM 227 NE ARG 38 -5.731 8.482 0.700 1.00 0.00 ATOM 228 CZ ARG 38 -6.381 9.297 1.532 1.00 0.00 ATOM 229 NH1 ARG 38 -5.827 9.654 2.688 1.00 0.00 ATOM 230 NH2 ARG 38 -7.579 9.763 1.199 1.00 0.00 ATOM 231 O ARG 38 -2.951 4.737 -2.272 1.00 0.00 ATOM 232 C ARG 38 -2.040 4.950 -1.468 1.00 0.00 ATOM 233 N LEU 39 -1.409 3.989 -0.813 1.00 0.00 ATOM 234 CA LEU 39 -1.761 2.597 -0.987 1.00 0.00 ATOM 235 CB LEU 39 -0.534 1.697 -0.871 1.00 0.00 ATOM 236 CG LEU 39 0.538 1.918 -1.931 1.00 0.00 ATOM 237 CD1 LEU 39 1.744 1.043 -1.640 1.00 0.00 ATOM 238 CD2 LEU 39 -0.009 1.623 -3.319 1.00 0.00 ATOM 239 O LEU 39 -2.616 2.388 1.244 1.00 0.00 ATOM 240 C LEU 39 -2.796 2.191 0.039 1.00 0.00 ATOM 241 N VAL 40 -3.883 1.645 -0.449 1.00 0.00 ATOM 242 CA VAL 40 -4.952 1.180 0.405 1.00 0.00 ATOM 243 CB VAL 40 -6.338 1.463 -0.210 1.00 0.00 ATOM 244 CG1 VAL 40 -7.439 1.106 0.774 1.00 0.00 ATOM 245 CG2 VAL 40 -6.451 2.918 -0.637 1.00 0.00 ATOM 246 O VAL 40 -4.973 -1.123 -0.261 1.00 0.00 ATOM 247 C VAL 40 -4.805 -0.312 0.654 1.00 0.00 ATOM 248 N VAL 41 -4.451 -0.661 1.878 1.00 0.00 ATOM 249 CA VAL 41 -4.358 -2.048 2.283 1.00 0.00 ATOM 250 CB VAL 41 -3.443 -2.240 3.512 1.00 0.00 ATOM 251 CG1 VAL 41 -3.422 -3.698 3.922 1.00 0.00 ATOM 252 CG2 VAL 41 -2.030 -1.747 3.233 1.00 0.00 ATOM 253 O VAL 41 -6.391 -2.105 3.564 1.00 0.00 ATOM 254 C VAL 41 -5.746 -2.574 2.620 1.00 0.00 ATOM 255 N ARG 42 -6.207 -3.520 1.829 1.00 0.00 ATOM 256 CA ARG 42 -7.496 -4.148 2.046 1.00 0.00 ATOM 257 CB ARG 42 -8.278 -4.199 0.735 1.00 0.00 ATOM 258 CG ARG 42 -8.705 -2.836 0.221 1.00 0.00 ATOM 259 CD ARG 42 -9.085 -2.903 -1.246 1.00 0.00 ATOM 260 NE ARG 42 -10.231 -2.054 -1.561 1.00 0.00 ATOM 261 CZ ARG 42 -10.252 -1.172 -2.558 1.00 0.00 ATOM 262 NH1 ARG 42 -9.152 -0.918 -3.252 1.00 0.00 ATOM 263 NH2 ARG 42 -11.374 -0.529 -2.843 1.00 0.00 ATOM 264 O ARG 42 -6.184 -6.047 2.687 1.00 0.00 ATOM 265 C ARG 42 -7.310 -5.552 2.597 1.00 0.00 ATOM 266 N ASP 43 -8.410 -6.183 2.974 1.00 0.00 ATOM 267 CA ASP 43 -8.372 -7.553 3.472 1.00 0.00 ATOM 268 CB ASP 43 -9.387 -7.756 4.606 1.00 0.00 ATOM 269 CG ASP 43 -10.783 -8.059 4.093 1.00 0.00 ATOM 270 OD1 ASP 43 -11.394 -7.177 3.469 1.00 0.00 ATOM 271 OD2 ASP 43 -11.252 -9.204 4.281 1.00 0.00 ATOM 272 O ASP 43 -8.722 -8.138 1.169 1.00 0.00 ATOM 273 C ASP 43 -8.674 -8.527 2.338 1.00 0.00 ATOM 274 N THR 44 -8.917 -9.783 2.701 1.00 0.00 ATOM 275 CA THR 44 -9.200 -10.833 1.734 1.00 0.00 ATOM 276 CB THR 44 -9.373 -12.193 2.440 1.00 0.00 ATOM 277 CG2 THR 44 -8.028 -12.778 2.839 1.00 0.00 ATOM 278 OG1 THR 44 -10.192 -12.039 3.611 1.00 0.00 ATOM 279 O THR 44 -10.591 -10.968 -0.221 1.00 0.00 ATOM 280 C THR 44 -10.454 -10.523 0.919 1.00 0.00 ATOM 281 N GLU 45 -11.359 -9.750 1.504 1.00 0.00 ATOM 282 CA GLU 45 -12.595 -9.392 0.838 1.00 0.00 ATOM 283 CB GLU 45 -13.723 -9.267 1.861 1.00 0.00 ATOM 284 CG GLU 45 -15.071 -8.940 1.242 1.00 0.00 ATOM 285 CD GLU 45 -16.210 -9.039 2.231 1.00 0.00 ATOM 286 OE1 GLU 45 -16.554 -8.017 2.861 1.00 0.00 ATOM 287 OE2 GLU 45 -16.772 -10.144 2.376 1.00 0.00 ATOM 288 O GLU 45 -13.097 -7.848 -0.928 1.00 0.00 ATOM 289 C GLU 45 -12.426 -8.086 0.076 1.00 0.00 ATOM 290 N GLY 46 -11.516 -7.249 0.548 1.00 0.00 ATOM 291 CA GLY 46 -11.297 -5.969 -0.086 1.00 0.00 ATOM 292 O GLY 46 -12.029 -3.714 0.217 1.00 0.00 ATOM 293 C GLY 46 -11.809 -4.806 0.743 1.00 0.00 ATOM 294 N ARG 47 -11.999 -5.031 2.035 1.00 0.00 ATOM 295 CA ARG 47 -12.406 -3.972 2.936 1.00 0.00 ATOM 296 CB ARG 47 -13.009 -4.560 4.206 1.00 0.00 ATOM 297 CG ARG 47 -14.248 -5.408 3.975 1.00 0.00 ATOM 298 CD ARG 47 -14.819 -5.904 5.292 1.00 0.00 ATOM 299 NE ARG 47 -15.961 -6.794 5.105 1.00 0.00 ATOM 300 CZ ARG 47 -16.939 -6.940 5.995 1.00 0.00 ATOM 301 NH1 ARG 47 -16.969 -6.178 7.083 1.00 0.00 ATOM 302 NH2 ARG 47 -17.899 -7.829 5.787 1.00 0.00 ATOM 303 O ARG 47 -10.092 -3.609 3.427 1.00 0.00 ATOM 304 C ARG 47 -11.207 -3.105 3.296 1.00 0.00 ATOM 305 N MET 48 -11.436 -1.808 3.442 1.00 0.00 ATOM 306 CA MET 48 -10.369 -0.877 3.800 1.00 0.00 ATOM 307 CB MET 48 -10.856 0.573 3.745 1.00 0.00 ATOM 308 CG MET 48 -11.679 0.917 2.514 1.00 0.00 ATOM 309 SD MET 48 -10.755 0.740 0.980 1.00 0.00 ATOM 310 CE MET 48 -11.965 1.323 -0.203 1.00 0.00 ATOM 311 O MET 48 -10.608 -1.004 6.180 1.00 0.00 ATOM 312 C MET 48 -9.868 -1.166 5.210 1.00 0.00 ATOM 313 N VAL 49 -8.624 -1.598 5.326 1.00 0.00 ATOM 314 CA VAL 49 -8.041 -1.860 6.632 1.00 0.00 ATOM 315 CB VAL 49 -7.282 -3.204 6.661 1.00 0.00 ATOM 316 CG1 VAL 49 -6.767 -3.499 8.063 1.00 0.00 ATOM 317 CG2 VAL 49 -8.173 -4.337 6.167 1.00 0.00 ATOM 318 O VAL 49 -7.016 -0.362 8.201 1.00 0.00 ATOM 319 C VAL 49 -7.094 -0.733 7.031 1.00 0.00 ATOM 320 N TRP 50 -6.400 -0.173 6.047 1.00 0.00 ATOM 321 CA TRP 50 -5.382 0.839 6.308 1.00 0.00 ATOM 322 CB TRP 50 -4.213 0.208 7.078 1.00 0.00 ATOM 323 CG TRP 50 -3.057 1.136 7.305 1.00 0.00 ATOM 324 CD1 TRP 50 -1.893 1.182 6.591 1.00 0.00 ATOM 325 CD2 TRP 50 -2.949 2.145 8.313 1.00 0.00 ATOM 326 CE2 TRP 50 -1.697 2.766 8.149 1.00 0.00 ATOM 327 CE3 TRP 50 -3.792 2.585 9.337 1.00 0.00 ATOM 328 NE1 TRP 50 -1.071 2.161 7.092 1.00 0.00 ATOM 329 CZ2 TRP 50 -1.268 3.805 8.971 1.00 0.00 ATOM 330 CZ3 TRP 50 -3.365 3.616 10.152 1.00 0.00 ATOM 331 CH2 TRP 50 -2.113 4.215 9.964 1.00 0.00 ATOM 332 O TRP 50 -4.439 0.736 4.112 1.00 0.00 ATOM 333 C TRP 50 -4.874 1.450 5.007 1.00 0.00 ATOM 334 N ARG 51 -4.932 2.767 4.902 1.00 0.00 ATOM 335 CA ARG 51 -4.385 3.456 3.743 1.00 0.00 ATOM 336 CB ARG 51 -5.488 4.186 2.961 1.00 0.00 ATOM 337 CG ARG 51 -6.263 5.210 3.776 1.00 0.00 ATOM 338 CD ARG 51 -7.258 5.976 2.916 1.00 0.00 ATOM 339 NE ARG 51 -8.332 5.124 2.410 1.00 0.00 ATOM 340 CZ ARG 51 -8.788 5.158 1.154 1.00 0.00 ATOM 341 NH1 ARG 51 -8.237 5.970 0.258 1.00 0.00 ATOM 342 NH2 ARG 51 -9.798 4.375 0.801 1.00 0.00 ATOM 343 O ARG 51 -3.506 5.280 5.039 1.00 0.00 ATOM 344 C ARG 51 -3.291 4.429 4.175 1.00 0.00 ATOM 345 N ALA 52 -2.113 4.289 3.586 1.00 0.00 ATOM 346 CA ALA 52 -0.980 5.136 3.934 1.00 0.00 ATOM 347 CB ALA 52 0.091 4.329 4.655 1.00 0.00 ATOM 348 O ALA 52 -0.380 5.197 1.615 1.00 0.00 ATOM 349 C ALA 52 -0.408 5.801 2.691 1.00 0.00 ATOM 350 N TRP 53 0.030 7.046 2.839 1.00 0.00 ATOM 351 CA TRP 53 0.552 7.813 1.721 1.00 0.00 ATOM 352 CB TRP 53 0.668 9.290 2.081 1.00 0.00 ATOM 353 CG TRP 53 -0.622 9.995 2.180 1.00 0.00 ATOM 354 CD1 TRP 53 -1.231 10.324 3.322 1.00 0.00 ATOM 355 CD2 TRP 53 -1.443 10.486 1.113 1.00 0.00 ATOM 356 CE2 TRP 53 -2.556 11.097 1.708 1.00 0.00 ATOM 357 CE3 TRP 53 -1.350 10.467 -0.281 1.00 0.00 ATOM 358 NE1 TRP 53 -2.401 10.981 3.063 1.00 0.00 ATOM 359 CZ2 TRP 53 -3.574 11.686 0.963 1.00 0.00 ATOM 360 CZ3 TRP 53 -2.359 11.052 -1.024 1.00 0.00 ATOM 361 CH2 TRP 53 -3.458 11.655 -0.400 1.00 0.00 ATOM 362 O TRP 53 2.440 6.331 1.774 1.00 0.00 ATOM 363 C TRP 53 1.911 7.319 1.276 1.00 0.00 ATOM 364 N ASN 54 2.469 8.064 0.348 1.00 0.00 ATOM 365 CA ASN 54 3.743 7.726 -0.270 1.00 0.00 ATOM 366 CB ASN 54 3.670 7.942 -1.787 1.00 0.00 ATOM 367 CG ASN 54 5.028 7.843 -2.454 1.00 0.00 ATOM 368 ND2 ASN 54 5.434 6.632 -2.786 1.00 0.00 ATOM 369 OD1 ASN 54 5.707 8.847 -2.659 1.00 0.00 ATOM 370 O ASN 54 5.939 8.053 0.638 1.00 0.00 ATOM 371 C ASN 54 4.869 8.564 0.316 1.00 0.00 ATOM 372 N PHE 55 4.598 9.849 0.483 1.00 0.00 ATOM 373 CA PHE 55 5.608 10.809 0.911 1.00 0.00 ATOM 374 CB PHE 55 5.236 12.204 0.398 1.00 0.00 ATOM 375 CG PHE 55 3.778 12.530 0.566 1.00 0.00 ATOM 376 CD1 PHE 55 2.893 12.351 -0.487 1.00 0.00 ATOM 377 CD2 PHE 55 3.291 13.005 1.772 1.00 0.00 ATOM 378 CE1 PHE 55 1.552 12.640 -0.338 1.00 0.00 ATOM 379 CE2 PHE 55 1.951 13.297 1.924 1.00 0.00 ATOM 380 CZ PHE 55 1.081 13.115 0.869 1.00 0.00 ATOM 381 O PHE 55 6.444 11.700 2.979 1.00 0.00 ATOM 382 C PHE 55 5.773 10.825 2.429 1.00 0.00 ATOM 383 N GLU 56 5.171 9.854 3.099 1.00 0.00 ATOM 384 CA GLU 56 5.280 9.750 4.546 1.00 0.00 ATOM 385 CB GLU 56 4.169 8.865 5.114 1.00 0.00 ATOM 386 CG GLU 56 2.777 9.438 4.905 1.00 0.00 ATOM 387 CD GLU 56 2.596 10.792 5.560 1.00 0.00 ATOM 388 OE1 GLU 56 2.900 11.817 4.919 1.00 0.00 ATOM 389 OE2 GLU 56 2.142 10.840 6.724 1.00 0.00 ATOM 390 O GLU 56 7.091 8.188 4.385 1.00 0.00 ATOM 391 C GLU 56 6.647 9.202 4.932 1.00 0.00 ATOM 392 N PRO 57 7.323 9.872 5.887 1.00 0.00 ATOM 393 CA PRO 57 8.696 9.549 6.303 1.00 0.00 ATOM 394 CB PRO 57 8.889 10.336 7.610 1.00 0.00 ATOM 395 CG PRO 57 7.551 10.917 7.940 1.00 0.00 ATOM 396 CD PRO 57 6.800 11.015 6.646 1.00 0.00 ATOM 397 O PRO 57 9.985 7.533 6.236 1.00 0.00 ATOM 398 C PRO 57 8.919 8.060 6.543 1.00 0.00 ATOM 399 N ASP 58 7.917 7.390 7.092 1.00 0.00 ATOM 400 CA ASP 58 7.973 5.946 7.262 1.00 0.00 ATOM 401 CB ASP 58 8.410 5.561 8.681 1.00 0.00 ATOM 402 CG ASP 58 9.884 5.805 8.936 1.00 0.00 ATOM 403 OD1 ASP 58 10.710 4.949 8.542 1.00 0.00 ATOM 404 OD2 ASP 58 10.222 6.844 9.545 1.00 0.00 ATOM 405 O ASP 58 5.975 4.758 7.828 1.00 0.00 ATOM 406 C ASP 58 6.620 5.327 6.952 1.00 0.00 ATOM 407 N ALA 59 6.176 5.462 5.705 1.00 0.00 ATOM 408 CA ALA 59 4.912 4.865 5.281 1.00 0.00 ATOM 409 CB ALA 59 4.600 5.257 3.848 1.00 0.00 ATOM 410 O ALA 59 3.989 2.704 5.828 1.00 0.00 ATOM 411 C ALA 59 4.964 3.348 5.417 1.00 0.00 ATOM 412 N GLY 60 6.124 2.787 5.096 1.00 0.00 ATOM 413 CA GLY 60 6.313 1.355 5.165 1.00 0.00 ATOM 414 O GLY 60 5.846 -0.365 6.731 1.00 0.00 ATOM 415 C GLY 60 6.160 0.803 6.564 1.00 0.00 ATOM 416 N GLU 61 6.363 1.647 7.564 1.00 0.00 ATOM 417 CA GLU 61 6.281 1.226 8.957 1.00 0.00 ATOM 418 CB GLU 61 6.561 2.431 9.859 1.00 0.00 ATOM 419 CG GLU 61 7.355 2.109 11.116 1.00 0.00 ATOM 420 CD GLU 61 6.584 1.262 12.102 1.00 0.00 ATOM 421 OE1 GLU 61 7.063 0.169 12.457 1.00 0.00 ATOM 422 OE2 GLU 61 5.494 1.689 12.533 1.00 0.00 ATOM 423 O GLU 61 4.771 -0.492 9.740 1.00 0.00 ATOM 424 C GLU 61 4.896 0.638 9.252 1.00 0.00 ATOM 425 N GLY 62 3.856 1.392 8.905 1.00 0.00 ATOM 426 CA GLY 62 2.499 0.934 9.138 1.00 0.00 ATOM 427 O GLY 62 1.451 -1.149 8.598 1.00 0.00 ATOM 428 C GLY 62 2.114 -0.187 8.198 1.00 0.00 ATOM 429 N LEU 63 2.547 -0.067 6.949 1.00 0.00 ATOM 430 CA LEU 63 2.261 -1.080 5.939 1.00 0.00 ATOM 431 CB LEU 63 2.795 -0.623 4.579 1.00 0.00 ATOM 432 CG LEU 63 2.216 0.700 4.071 1.00 0.00 ATOM 433 CD1 LEU 63 2.918 1.137 2.799 1.00 0.00 ATOM 434 CD2 LEU 63 0.720 0.577 3.831 1.00 0.00 ATOM 435 O LEU 63 2.200 -3.456 6.270 1.00 0.00 ATOM 436 C LEU 63 2.870 -2.426 6.327 1.00 0.00 ATOM 437 N ASN 64 4.130 -2.408 6.750 1.00 0.00 ATOM 438 CA ASN 64 4.829 -3.633 7.136 1.00 0.00 ATOM 439 CB ASN 64 6.315 -3.365 7.397 1.00 0.00 ATOM 440 CG ASN 64 7.102 -3.079 6.128 1.00 0.00 ATOM 441 ND2 ASN 64 8.177 -2.316 6.255 1.00 0.00 ATOM 442 OD1 ASN 64 6.750 -3.542 5.044 1.00 0.00 ATOM 443 O ASN 64 4.245 -5.475 8.546 1.00 0.00 ATOM 444 C ASN 64 4.199 -4.258 8.370 1.00 0.00 ATOM 445 N ARG 65 3.616 -3.426 9.226 1.00 0.00 ATOM 446 CA ARG 65 2.915 -3.923 10.405 1.00 0.00 ATOM 447 CB ARG 65 2.533 -2.774 11.336 1.00 0.00 ATOM 448 CG ARG 65 1.734 -3.205 12.560 1.00 0.00 ATOM 449 CD ARG 65 1.868 -2.191 13.681 1.00 0.00 ATOM 450 NE ARG 65 3.251 -2.089 14.133 1.00 0.00 ATOM 451 CZ ARG 65 4.088 -1.132 13.741 1.00 0.00 ATOM 452 NH1 ARG 65 3.635 -0.091 13.051 1.00 0.00 ATOM 453 NH2 ARG 65 5.370 -1.200 14.070 1.00 0.00 ATOM 454 O ARG 65 1.317 -5.676 10.690 1.00 0.00 ATOM 455 C ARG 65 1.681 -4.718 10.011 1.00 0.00 ATOM 456 N TYR 66 1.028 -4.327 8.925 1.00 0.00 ATOM 457 CA TYR 66 -0.060 -5.136 8.401 1.00 0.00 ATOM 458 CB TYR 66 -0.911 -4.357 7.394 1.00 0.00 ATOM 459 CG TYR 66 -2.053 -5.179 6.823 1.00 0.00 ATOM 460 CD1 TYR 66 -3.321 -5.124 7.384 1.00 0.00 ATOM 461 CD2 TYR 66 -1.855 -6.022 5.733 1.00 0.00 ATOM 462 CE1 TYR 66 -4.360 -5.885 6.878 1.00 0.00 ATOM 463 CE2 TYR 66 -2.890 -6.783 5.219 1.00 0.00 ATOM 464 CZ TYR 66 -4.140 -6.711 5.796 1.00 0.00 ATOM 465 OH TYR 66 -5.174 -7.470 5.292 1.00 0.00 ATOM 466 O TYR 66 0.010 -7.493 7.966 1.00 0.00 ATOM 467 C TYR 66 0.502 -6.388 7.740 1.00 0.00 ATOM 468 N ILE 67 1.531 -6.198 6.917 1.00 0.00 ATOM 469 CA ILE 67 2.145 -7.297 6.183 1.00 0.00 ATOM 470 CB ILE 67 3.347 -6.818 5.338 1.00 0.00 ATOM 471 CG1 ILE 67 2.910 -5.738 4.344 1.00 0.00 ATOM 472 CG2 ILE 67 3.978 -7.993 4.599 1.00 0.00 ATOM 473 CD1 ILE 67 4.062 -5.101 3.596 1.00 0.00 ATOM 474 O ILE 67 2.218 -9.564 6.946 1.00 0.00 ATOM 475 C ILE 67 2.600 -8.410 7.126 1.00 0.00 ATOM 476 N ARG 68 3.434 -8.061 8.114 1.00 0.00 ATOM 477 CA ARG 68 3.904 -9.022 9.120 1.00 0.00 ATOM 478 CB ARG 68 2.751 -9.484 9.988 1.00 0.00 ATOM 479 CG ARG 68 2.404 -8.531 11.110 1.00 0.00 ATOM 480 CD ARG 68 3.551 -8.377 12.098 1.00 0.00 ATOM 481 NE ARG 68 3.961 -9.659 12.668 1.00 0.00 ATOM 482 CZ ARG 68 3.628 -10.077 13.887 1.00 0.00 ATOM 483 NH1 ARG 68 2.850 -9.329 14.664 1.00 0.00 ATOM 484 NH2 ARG 68 4.070 -11.252 14.317 1.00 0.00 ATOM 485 O ARG 68 4.493 -11.334 9.014 1.00 0.00 ATOM 486 C ARG 68 4.553 -10.233 8.474 1.00 0.00 ATOM 487 N THR 69 5.101 -9.999 7.288 1.00 0.00 ATOM 488 CA THR 69 5.856 -10.977 6.497 1.00 0.00 ATOM 489 CB THR 69 7.195 -11.418 7.170 1.00 0.00 ATOM 490 CG2 THR 69 6.984 -12.298 8.390 1.00 0.00 ATOM 491 OG1 THR 69 8.007 -12.129 6.228 1.00 0.00 ATOM 492 O THR 69 5.470 -13.220 5.690 1.00 0.00 ATOM 493 C THR 69 4.985 -12.174 6.130 1.00 0.00 ATOM 494 N SER 70 3.685 -11.980 6.263 1.00 0.00 ATOM 495 CA SER 70 2.712 -12.968 5.872 1.00 0.00 ATOM 496 CB SER 70 1.815 -13.285 7.063 1.00 0.00 ATOM 497 OG SER 70 1.347 -12.098 7.683 1.00 0.00 ATOM 498 O SER 70 2.002 -12.941 3.573 1.00 0.00 ATOM 499 C SER 70 1.900 -12.442 4.699 1.00 0.00 ATOM 500 N GLY 71 1.132 -11.400 4.968 1.00 0.00 ATOM 501 CA GLY 71 0.317 -10.777 3.951 1.00 0.00 ATOM 502 O GLY 71 -0.917 -12.830 3.857 1.00 0.00 ATOM 503 C GLY 71 -0.785 -11.681 3.435 1.00 0.00 ATOM 504 N ILE 72 -1.571 -11.164 2.506 1.00 0.00 ATOM 505 CA ILE 72 -2.679 -11.919 1.942 1.00 0.00 ATOM 506 CB ILE 72 -3.871 -10.977 1.639 1.00 0.00 ATOM 507 CG1 ILE 72 -4.231 -10.178 2.899 1.00 0.00 ATOM 508 CG2 ILE 72 -5.092 -11.740 1.144 1.00 0.00 ATOM 509 CD1 ILE 72 -4.484 -11.035 4.127 1.00 0.00 ATOM 510 O ILE 72 -3.007 -13.300 -0.013 1.00 0.00 ATOM 511 C ILE 72 -2.220 -12.672 0.689 1.00 0.00 ATOM 512 N ARG 73 -0.918 -12.604 0.428 1.00 0.00 ATOM 513 CA ARG 73 -0.312 -13.304 -0.702 1.00 0.00 ATOM 514 CB ARG 73 1.186 -13.015 -0.756 1.00 0.00 ATOM 515 CG ARG 73 1.926 -13.848 -1.785 1.00 0.00 ATOM 516 CD ARG 73 1.690 -13.329 -3.193 1.00 0.00 ATOM 517 NE ARG 73 2.184 -14.240 -4.221 1.00 0.00 ATOM 518 CZ ARG 73 1.945 -14.082 -5.523 1.00 0.00 ATOM 519 NH1 ARG 73 1.254 -13.031 -5.947 1.00 0.00 ATOM 520 NH2 ARG 73 2.398 -14.971 -6.397 1.00 0.00 ATOM 521 O ARG 73 -1.449 -15.371 -1.181 1.00 0.00 ATOM 522 C ARG 73 -0.521 -14.814 -0.595 1.00 0.00 ATOM 523 N THR 74 0.360 -15.466 0.153 1.00 0.00 ATOM 524 CA THR 74 0.286 -16.897 0.335 1.00 0.00 ATOM 525 CB THR 74 1.694 -17.505 0.495 1.00 0.00 ATOM 526 CG2 THR 74 1.645 -19.021 0.399 1.00 0.00 ATOM 527 OG1 THR 74 2.568 -16.990 -0.521 1.00 0.00 ATOM 528 O THR 74 -1.271 -18.182 1.619 1.00 0.00 ATOM 529 C THR 74 -0.540 -17.191 1.570 1.00 0.00 ATOM 530 N ASP 75 -0.422 -16.283 2.547 1.00 0.00 ATOM 531 CA ASP 75 -1.155 -16.366 3.822 1.00 0.00 ATOM 532 CB ASP 75 -2.663 -16.359 3.560 1.00 0.00 ATOM 533 CG ASP 75 -3.491 -16.567 4.817 1.00 0.00 ATOM 534 OD1 ASP 75 -3.723 -17.738 5.198 1.00 0.00 ATOM 535 OD2 ASP 75 -3.926 -15.572 5.423 1.00 0.00 ATOM 536 O ASP 75 -0.169 -17.474 5.725 1.00 0.00 ATOM 537 C ASP 75 -0.764 -17.596 4.653 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 T0358.undertaker-align.pdb looking for model 1 WARNING: atoms too close: (T0358)W53.C and (T0358)E56.C only 0 apart, marking (T0358)E56.C as missing WARNING: atoms too close: (T0358)N54.N and (T0358)P57.N only 0 apart, marking (T0358)N54.N as missing WARNING: atoms too close: (T0358)N54.CA and (T0358)P57.CA only 0 apart, marking (T0358)N54.CA as missing # WARNING: incomplete conformation T0358 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 = 0.545 # GDT_score = -29.545 # GDT_score(maxd=8.000,maxw=2.900)= -28.797 # GDT_score(maxd=8.000,maxw=3.200)= -27.376 # GDT_score(maxd=8.000,maxw=3.500)= -26.198 # GDT_score(maxd=10.000,maxw=3.800)= -28.672 # GDT_score(maxd=10.000,maxw=4.000)= -27.920 # GDT_score(maxd=10.000,maxw=4.200)= -27.194 # GDT_score(maxd=12.000,maxw=4.300)= -29.426 # GDT_score(maxd=12.000,maxw=4.500)= -28.669 # GDT_score(maxd=12.000,maxw=4.700)= -27.903 # GDT_score(maxd=14.000,maxw=5.200)= -28.061 # GDT_score(maxd=14.000,maxw=5.500)= -27.026 # command:# ReadConformPDB reading from PDB file T0358.undertaker-align.pdb looking for model 2 WARNING: atoms too close: (T0358)F55.C and (T0358)G60.C only 0 apart, marking (T0358)G60.C as missing WARNING: atoms too close: (T0358)E56.N and (T0358)E61.N only 0 apart, marking (T0358)E56.N as missing WARNING: atoms too close: (T0358)E56.CA and (T0358)E61.CA only 0 apart, marking (T0358)E56.CA as missing # WARNING: incomplete conformation T0358 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 = 0.879 # GDT_score = -33.712 # GDT_score(maxd=8.000,maxw=2.900)= -33.021 # GDT_score(maxd=8.000,maxw=3.200)= -31.669 # GDT_score(maxd=8.000,maxw=3.500)= -30.513 # GDT_score(maxd=10.000,maxw=3.800)= -32.363 # GDT_score(maxd=10.000,maxw=4.000)= -31.654 # GDT_score(maxd=10.000,maxw=4.200)= -31.012 # GDT_score(maxd=12.000,maxw=4.300)= -33.252 # GDT_score(maxd=12.000,maxw=4.500)= -32.583 # GDT_score(maxd=12.000,maxw=4.700)= -31.949 # GDT_score(maxd=14.000,maxw=5.200)= -32.696 # GDT_score(maxd=14.000,maxw=5.500)= -31.656 # command:# ReadConformPDB reading from PDB file T0358.undertaker-align.pdb looking for model 3 WARNING: atoms too close: (T0358)P57.C and (T0358)D58.C only 0 apart, marking (T0358)D58.C as missing WARNING: atoms too close: (T0358)D58.N and (T0358)A59.N only 0 apart, marking (T0358)D58.N as missing WARNING: atoms too close: (T0358)D58.CA and (T0358)A59.CA only 0 apart, marking (T0358)D58.CA as missing # WARNING: incomplete conformation T0358 can't currently be optimized by undertaker # command:# naming current conformation align3 # command:# ReadConformPDB reading from PDB file T0358.undertaker-align.pdb looking for model 4 # WARNING: incomplete conformation T0358 can't currently be optimized by undertaker # command:# naming current conformation align4 # command:# ReadConformPDB reading from PDB file T0358.undertaker-align.pdb looking for model 5 WARNING: atoms too close: (T0358)D43.C and (T0358)T44.C only 0 apart, marking (T0358)T44.C as missing WARNING: atoms too close: (T0358)T44.N and (T0358)E45.N only 0 apart, marking (T0358)T44.N as missing WARNING: atoms too close: (T0358)T44.CA and (T0358)E45.CA only 0 apart, marking (T0358)T44.CA as missing # WARNING: incomplete conformation T0358 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 60 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file ../model2.ts-submitted looking for model 1 # Found a chain break before 74 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file ../model3.ts-submitted looking for model 1 # ReadConformPDB reading from PDB file ../model4.ts-submitted looking for model 1 # Found a chain break before 73 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file ../model5.ts-submitted looking for model 1 # Found a chain break before 73 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0358.try1-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 43 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0358.try1-opt1.pdb.gz looking for model 1 # Found a chain break before 43 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0358.try1-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 86 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0358.try1-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 86 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0358.try1-opt2.pdb.gz looking for model 1 # Found a chain break before 82 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0358.try1-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 82 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0358.try10-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 80 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0358.try10-opt1.pdb.gz looking for model 1 # Found a chain break before 80 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0358.try10-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 77 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0358.try10-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 77 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0358.try10-opt2.pdb.gz looking for model 1 # Found a chain break before 82 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0358.try10-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 82 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0358.try11-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 73 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0358.try11-opt1.pdb.gz looking for model 1 # Found a chain break before 73 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0358.try11-opt2.gromacs0.pdb.gz looking for model 1 # ReadConformPDB reading from PDB file T0358.try11-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # ReadConformPDB reading from PDB file T0358.try11-opt2.pdb.gz looking for model 1 # Found a chain break before 73 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0358.try11-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 73 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0358.try12-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 81 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0358.try12-opt1.pdb.gz looking for model 1 # Found a chain break before 81 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0358.try12-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 77 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0358.try12-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 77 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0358.try12-opt2.pdb.gz looking for model 1 # Found a chain break before 81 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0358.try12-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 81 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0358.try13-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 84 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0358.try13-opt1.pdb.gz looking for model 1 # Found a chain break before 84 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0358.try13-opt2.gromacs0.pdb.gz looking for model 1 # ReadConformPDB reading from PDB file T0358.try13-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # ReadConformPDB reading from PDB file T0358.try13-opt2.pdb.gz looking for model 1 # Found a chain break before 84 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0358.try13-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 84 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0358.try14-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 81 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0358.try14-opt1.pdb.gz looking for model 1 # Found a chain break before 81 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0358.try14-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 77 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0358.try14-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 77 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0358.try14-opt2.pdb.gz looking for model 1 # Found a chain break before 81 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0358.try14-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 81 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0358.try15-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 81 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0358.try15-opt1.pdb.gz looking for model 1 # Found a chain break before 81 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0358.try15-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 77 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0358.try15-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 77 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0358.try15-opt2.pdb.gz looking for model 1 # Found a chain break before 81 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0358.try15-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 81 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0358.try16-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 82 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0358.try16-opt1.pdb.gz looking for model 1 # Found a chain break before 82 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0358.try16-opt2.gromacs0.pdb.gz looking for model 1 # ReadConformPDB reading from PDB file T0358.try16-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # ReadConformPDB reading from PDB file T0358.try16-opt2.pdb.gz looking for model 1 # Found a chain break before 82 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0358.try16-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 82 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0358.try17-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 73 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0358.try17-opt1.pdb.gz looking for model 1 # Found a chain break before 73 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0358.try17-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 33 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0358.try17-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 33 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0358.try17-opt2.pdb.gz looking for model 1 # Found a chain break before 73 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0358.try17-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 73 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0358.try18-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 55 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0358.try18-opt1.pdb.gz looking for model 1 # Found a chain break before 55 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0358.try18-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 50 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0358.try18-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 50 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0358.try18-opt2.pdb.gz looking for model 1 # Found a chain break before 55 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0358.try18-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 55 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0358.try19-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 73 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0358.try19-opt1.pdb.gz looking for model 1 # Found a chain break before 73 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0358.try19-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 50 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0358.try19-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # ReadConformPDB reading from PDB file T0358.try19-opt2.pdb.gz looking for model 1 # Found a chain break before 73 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0358.try19-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 73 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0358.try2-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 43 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0358.try2-opt1.pdb.gz looking for model 1 # Found a chain break before 43 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0358.try2-opt2.gromacs0.pdb.gz looking for model 1 # ReadConformPDB reading from PDB file T0358.try2-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # ReadConformPDB reading from PDB file T0358.try2-opt2.pdb.gz looking for model 1 # Found a chain break before 74 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0358.try2-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 74 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0358.try20-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 55 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0358.try20-opt1.pdb.gz looking for model 1 # Found a chain break before 55 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0358.try20-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 50 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0358.try20-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 50 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0358.try20-opt2.pdb.gz looking for model 1 # Found a chain break before 55 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0358.try21-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 55 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0358.try21-opt1.pdb.gz looking for model 1 # Found a chain break before 55 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0358.try21-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 35 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0358.try21-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 T0358.try21-opt2.pdb.gz looking for model 1 # Found a chain break before 55 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0358.try21-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 55 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0358.try22-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 79 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0358.try22-opt1.pdb.gz looking for model 1 # Found a chain break before 79 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0358.try22-opt2.gromacs0.pdb.gz looking for model 1 # ReadConformPDB reading from PDB file T0358.try22-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # ReadConformPDB reading from PDB file T0358.try22-opt2.pdb.gz looking for model 1 # Found a chain break before 79 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0358.try22-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 79 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0358.try23-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 43 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0358.try23-opt1.pdb.gz looking for model 1 # Found a chain break before 43 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0358.try23-opt2.gromacs0.pdb.gz looking for model 1 # ReadConformPDB reading from PDB file T0358.try23-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # ReadConformPDB reading from PDB file T0358.try23-opt2.pdb.gz looking for model 1 # Found a chain break before 72 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0358.try23-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 72 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0358.try24-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 43 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0358.try24-opt1.pdb.gz looking for model 1 # Found a chain break before 43 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0358.try24-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 51 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0358.try24-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 51 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0358.try24-opt2.pdb.gz looking for model 1 # Found a chain break before 55 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0358.try24-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 55 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0358.try25-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 60 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0358.try25-opt1.pdb.gz looking for model 1 # Found a chain break before 60 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0358.try25-opt2.gromacs0.pdb.gz looking for model 1 # ReadConformPDB reading from PDB file T0358.try25-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # ReadConformPDB reading from PDB file T0358.try25-opt2.pdb.gz looking for model 1 # Found a chain break before 60 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0358.try25-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 60 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0358.try26-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 60 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0358.try26-opt1.pdb.gz looking for model 1 # Found a chain break before 60 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0358.try26-opt2.gromacs0.pdb.gz looking for model 1 # ReadConformPDB reading from PDB file T0358.try26-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # ReadConformPDB reading from PDB file T0358.try26-opt2.pdb.gz looking for model 1 # Found a chain break before 60 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0358.try26-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 60 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0358.try27-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 73 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0358.try27-opt2.gromacs0.pdb.gz looking for model 1 # ReadConformPDB reading from PDB file T0358.try27-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # ReadConformPDB reading from PDB file T0358.try27-opt2.pdb.gz looking for model 1 # Found a chain break before 73 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0358.try27-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 73 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0358.try28-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 73 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0358.try28-opt2.gromacs0.pdb.gz looking for model 1 # ReadConformPDB reading from PDB file T0358.try28-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # ReadConformPDB reading from PDB file T0358.try28-opt2.pdb.gz looking for model 1 # Found a chain break before 73 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0358.try28-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 73 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0358.try3-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 73 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0358.try3-opt1.pdb.gz looking for model 1 # Found a chain break before 73 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0358.try3-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 4 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0358.try3-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 4 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0358.try3-opt2.pdb.gz looking for model 1 # Found a chain break before 86 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0358.try3-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 86 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0358.try4-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 73 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0358.try4-opt1.pdb.gz looking for model 1 # Found a chain break before 73 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0358.try4-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 55 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0358.try4-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 55 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0358.try4-opt2.pdb.gz looking for model 1 # Found a chain break before 85 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0358.try4-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 85 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0358.try5-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 72 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0358.try5-opt1.pdb.gz looking for model 1 # Found a chain break before 72 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0358.try5-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 55 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0358.try5-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 55 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0358.try5-opt2.pdb.gz looking for model 1 # Found a chain break before 74 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0358.try5-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 74 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0358.try6-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 81 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0358.try6-opt1.pdb.gz looking for model 1 # Found a chain break before 81 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0358.try6-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 33 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0358.try6-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 33 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0358.try6-opt2.pdb.gz looking for model 1 # Found a chain break before 84 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0358.try6-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 84 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0358.try7-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 73 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0358.try7-opt1.pdb.gz looking for model 1 # Found a chain break before 73 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0358.try7-opt2.gromacs0.pdb.gz looking for model 1 # ReadConformPDB reading from PDB file T0358.try7-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # ReadConformPDB reading from PDB file T0358.try7-opt2.pdb.gz looking for model 1 # Found a chain break before 73 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0358.try7-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 73 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0358.try8-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 57 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0358.try8-opt1.pdb.gz looking for model 1 # Found a chain break before 57 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0358.try8-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 54 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0358.try8-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 54 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0358.try8-opt2.pdb.gz looking for model 1 # Found a chain break before 57 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0358.try8-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 57 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0358.try9-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 81 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0358.try9-opt1.pdb.gz looking for model 1 # Found a chain break before 81 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0358.try9-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 77 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0358.try9-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 77 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0358.try9-opt2.pdb.gz looking for model 1 # Found a chain break before 81 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0358.try9-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 81 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file chimera2-2.pdb.gz looking for model 1 # Found a chain break before 79 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file chimera4-24.pdb.gz looking for model 1 # Found a chain break before 73 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file chimera5-2.pdb.gz looking for model 1 # Found a chain break before 79 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file chimera5-24.pdb.gz looking for model 1 # Found a chain break before 79 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file servers/3D-JIGSAW_POPULUS_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0358 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_POPULUS_TS1 # request to SCWRL produces command: ulimit -t 79 ; scwrl3 -i /var/tmp/to_scwrl_304725431.pdb -s /var/tmp/to_scwrl_304725431.seq -o /var/tmp/from_scwrl_304725431.pdb > /var/tmp/scwrl_304725431.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_304725431.pdb # conformation set from SCWRL output # naming current conformation 3D-JIGSAW_POPULUS_TS1-scwrl # ReadConformPDB reading from PDB file servers/3D-JIGSAW_POPULUS_TS2.pdb.gz looking for model 1 # Found a chain break before 81 # copying to AlignedFragments data structure # naming current conformation 3D-JIGSAW_POPULUS_TS2 # request to SCWRL produces command: ulimit -t 79 ; scwrl3 -i /var/tmp/to_scwrl_1402103307.pdb -s /var/tmp/to_scwrl_1402103307.seq -o /var/tmp/from_scwrl_1402103307.pdb > /var/tmp/scwrl_1402103307.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1402103307.pdb # conformation set from SCWRL output # naming current conformation 3D-JIGSAW_POPULUS_TS2-scwrl # ReadConformPDB reading from PDB file servers/3D-JIGSAW_POPULUS_TS3.pdb.gz looking for model 1 # Found a chain break before 72 # copying to AlignedFragments data structure # naming current conformation 3D-JIGSAW_POPULUS_TS3 # request to SCWRL produces command: ulimit -t 79 ; scwrl3 -i /var/tmp/to_scwrl_743961204.pdb -s /var/tmp/to_scwrl_743961204.seq -o /var/tmp/from_scwrl_743961204.pdb > /var/tmp/scwrl_743961204.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_743961204.pdb # conformation set from SCWRL output # naming current conformation 3D-JIGSAW_POPULUS_TS3-scwrl # ReadConformPDB reading from PDB file servers/3D-JIGSAW_POPULUS_TS4.pdb.gz looking for model 1 # Found a chain break before 72 # copying to AlignedFragments data structure # naming current conformation 3D-JIGSAW_POPULUS_TS4 # request to SCWRL produces command: ulimit -t 79 ; scwrl3 -i /var/tmp/to_scwrl_1720152633.pdb -s /var/tmp/to_scwrl_1720152633.seq -o /var/tmp/from_scwrl_1720152633.pdb > /var/tmp/scwrl_1720152633.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1720152633.pdb # conformation set from SCWRL output # naming current conformation 3D-JIGSAW_POPULUS_TS4-scwrl # ReadConformPDB reading from PDB file servers/3D-JIGSAW_POPULUS_TS5.pdb.gz looking for model 1 # Found a chain break before 13 # copying to AlignedFragments data structure # naming current conformation 3D-JIGSAW_POPULUS_TS5 # request to SCWRL produces command: ulimit -t 79 ; scwrl3 -i /var/tmp/to_scwrl_1112519945.pdb -s /var/tmp/to_scwrl_1112519945.seq -o /var/tmp/from_scwrl_1112519945.pdb > /var/tmp/scwrl_1112519945.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1112519945.pdb # conformation set from SCWRL output # naming current conformation 3D-JIGSAW_POPULUS_TS5-scwrl # ReadConformPDB reading from PDB file servers/3D-JIGSAW_RECOM_TS1.pdb.gz looking for model 1 # Found a chain break before 84 # copying to AlignedFragments data structure # naming current conformation 3D-JIGSAW_RECOM_TS1 # request to SCWRL produces command: ulimit -t 79 ; scwrl3 -i /var/tmp/to_scwrl_1346456074.pdb -s /var/tmp/to_scwrl_1346456074.seq -o /var/tmp/from_scwrl_1346456074.pdb > /var/tmp/scwrl_1346456074.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1346456074.pdb # conformation set from SCWRL output # 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 T0358 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS2 # request to SCWRL produces command: ulimit -t 79 ; scwrl3 -i /var/tmp/to_scwrl_734104185.pdb -s /var/tmp/to_scwrl_734104185.seq -o /var/tmp/from_scwrl_734104185.pdb > /var/tmp/scwrl_734104185.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_734104185.pdb # conformation set from SCWRL output # naming current conformation 3D-JIGSAW_RECOM_TS2-scwrl # ReadConformPDB reading from PDB file servers/3D-JIGSAW_RECOM_TS3.pdb.gz looking for model 1 # Found a chain break before 83 # copying to AlignedFragments data structure # naming current conformation 3D-JIGSAW_RECOM_TS3 # request to SCWRL produces command: ulimit -t 79 ; scwrl3 -i /var/tmp/to_scwrl_1969532881.pdb -s /var/tmp/to_scwrl_1969532881.seq -o /var/tmp/from_scwrl_1969532881.pdb > /var/tmp/scwrl_1969532881.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1969532881.pdb # conformation set from SCWRL output # 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 T0358 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation 3D-JIGSAW_RECOM_TS4 # request to SCWRL produces command: ulimit -t 79 ; scwrl3 -i /var/tmp/to_scwrl_1782424507.pdb -s /var/tmp/to_scwrl_1782424507.seq -o /var/tmp/from_scwrl_1782424507.pdb > /var/tmp/scwrl_1782424507.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1782424507.pdb # conformation set from SCWRL output # naming current conformation 3D-JIGSAW_RECOM_TS4-scwrl # ReadConformPDB reading from PDB file servers/3D-JIGSAW_RECOM_TS5.pdb.gz looking for model 1 # Found a chain break before 83 # copying to AlignedFragments data structure # naming current conformation 3D-JIGSAW_RECOM_TS5 # request to SCWRL produces command: ulimit -t 79 ; scwrl3 -i /var/tmp/to_scwrl_482538566.pdb -s /var/tmp/to_scwrl_482538566.seq -o /var/tmp/from_scwrl_482538566.pdb > /var/tmp/scwrl_482538566.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_482538566.pdb # conformation set from SCWRL output # 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 T0358 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation 3D-JIGSAW_TS1 # request to SCWRL produces command: ulimit -t 79 ; scwrl3 -i /var/tmp/to_scwrl_770996940.pdb -s /var/tmp/to_scwrl_770996940.seq -o /var/tmp/from_scwrl_770996940.pdb > /var/tmp/scwrl_770996940.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_770996940.pdb # conformation set from SCWRL output # 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 T0358 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_TS2 # request to SCWRL produces command: ulimit -t 79 ; scwrl3 -i /var/tmp/to_scwrl_798866601.pdb -s /var/tmp/to_scwrl_798866601.seq -o /var/tmp/from_scwrl_798866601.pdb > /var/tmp/scwrl_798866601.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_798866601.pdb # conformation set from SCWRL output # 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 T0358 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_TS3 # request to SCWRL produces command: ulimit -t 79 ; scwrl3 -i /var/tmp/to_scwrl_286119069.pdb -s /var/tmp/to_scwrl_286119069.seq -o /var/tmp/from_scwrl_286119069.pdb > /var/tmp/scwrl_286119069.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_286119069.pdb # conformation set from SCWRL output # 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 T0358 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation 3D-JIGSAW_TS4 # request to SCWRL produces command: ulimit -t 79 ; scwrl3 -i /var/tmp/to_scwrl_176561290.pdb -s /var/tmp/to_scwrl_176561290.seq -o /var/tmp/from_scwrl_176561290.pdb > /var/tmp/scwrl_176561290.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_176561290.pdb # conformation set from SCWRL output # 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 T0358 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_TS5 # request to SCWRL produces command: ulimit -t 79 ; scwrl3 -i /var/tmp/to_scwrl_745885109.pdb -s /var/tmp/to_scwrl_745885109.seq -o /var/tmp/from_scwrl_745885109.pdb > /var/tmp/scwrl_745885109.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_745885109.pdb # conformation set from SCWRL output # 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 8 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS1 # request to SCWRL produces command: ulimit -t 79 ; scwrl3 -i /var/tmp/to_scwrl_252457074.pdb -s /var/tmp/to_scwrl_252457074.seq -o /var/tmp/from_scwrl_252457074.pdb > /var/tmp/scwrl_252457074.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_252457074.pdb # conformation set from SCWRL output # 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 8 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS2 # request to SCWRL produces command: ulimit -t 79 ; scwrl3 -i /var/tmp/to_scwrl_2004971459.pdb -s /var/tmp/to_scwrl_2004971459.seq -o /var/tmp/from_scwrl_2004971459.pdb > /var/tmp/scwrl_2004971459.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2004971459.pdb # conformation set from SCWRL output # 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 86 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS3 # request to SCWRL produces command: ulimit -t 79 ; scwrl3 -i /var/tmp/to_scwrl_1968312777.pdb -s /var/tmp/to_scwrl_1968312777.seq -o /var/tmp/from_scwrl_1968312777.pdb > /var/tmp/scwrl_1968312777.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1968312777.pdb # conformation set from SCWRL output # 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 81 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS4 # request to SCWRL produces command: ulimit -t 79 ; scwrl3 -i /var/tmp/to_scwrl_347003417.pdb -s /var/tmp/to_scwrl_347003417.seq -o /var/tmp/from_scwrl_347003417.pdb > /var/tmp/scwrl_347003417.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_347003417.pdb # conformation set from SCWRL output # 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 8 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS5 # request to SCWRL produces command: ulimit -t 79 ; scwrl3 -i /var/tmp/to_scwrl_665026591.pdb -s /var/tmp/to_scwrl_665026591.seq -o /var/tmp/from_scwrl_665026591.pdb > /var/tmp/scwrl_665026591.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_665026591.pdb # conformation set from SCWRL output # 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 86 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS1 # request to SCWRL produces command: ulimit -t 79 ; scwrl3 -i /var/tmp/to_scwrl_2029875333.pdb -s /var/tmp/to_scwrl_2029875333.seq -o /var/tmp/from_scwrl_2029875333.pdb > /var/tmp/scwrl_2029875333.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2029875333.pdb # conformation set from SCWRL output # 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 81 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS2 # request to SCWRL produces command: ulimit -t 79 ; scwrl3 -i /var/tmp/to_scwrl_156913663.pdb -s /var/tmp/to_scwrl_156913663.seq -o /var/tmp/from_scwrl_156913663.pdb > /var/tmp/scwrl_156913663.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_156913663.pdb # conformation set from SCWRL output # 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 76 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS3 # request to SCWRL produces command: ulimit -t 79 ; scwrl3 -i /var/tmp/to_scwrl_2024262232.pdb -s /var/tmp/to_scwrl_2024262232.seq -o /var/tmp/from_scwrl_2024262232.pdb > /var/tmp/scwrl_2024262232.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2024262232.pdb # conformation set from SCWRL output # 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 49 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS4 # request to SCWRL produces command: ulimit -t 79 ; scwrl3 -i /var/tmp/to_scwrl_245563972.pdb -s /var/tmp/to_scwrl_245563972.seq -o /var/tmp/from_scwrl_245563972.pdb > /var/tmp/scwrl_245563972.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_245563972.pdb # conformation set from SCWRL output # 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 39 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS5 # request to SCWRL produces command: ulimit -t 79 ; scwrl3 -i /var/tmp/to_scwrl_445914529.pdb -s /var/tmp/to_scwrl_445914529.seq -o /var/tmp/from_scwrl_445914529.pdb > /var/tmp/scwrl_445914529.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_445914529.pdb # conformation set from SCWRL output # naming current conformation ABIpro_TS5-scwrl # ReadConformPDB reading from PDB file servers/BayesHH_TS1.pdb.gz looking for model 1 # Found a chain break before 76 # copying to AlignedFragments data structure # naming current conformation BayesHH_TS1 # request to SCWRL produces command: ulimit -t 79 ; scwrl3 -i /var/tmp/to_scwrl_487445605.pdb -s /var/tmp/to_scwrl_487445605.seq -o /var/tmp/from_scwrl_487445605.pdb > /var/tmp/scwrl_487445605.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_487445605.pdb # conformation set from SCWRL output # 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 62 # copying to AlignedFragments data structure # naming current conformation Bilab-ENABLE_TS1 # request to SCWRL produces command: ulimit -t 79 ; scwrl3 -i /var/tmp/to_scwrl_867075199.pdb -s /var/tmp/to_scwrl_867075199.seq -o /var/tmp/from_scwrl_867075199.pdb > /var/tmp/scwrl_867075199.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_867075199.pdb # conformation set from SCWRL output # naming current conformation Bilab-ENABLE_TS1-scwrl # ReadConformPDB reading from PDB file servers/Bilab-ENABLE_TS2.pdb.gz looking for model 1 # naming current conformation Bilab-ENABLE_TS2 # request to SCWRL produces command: ulimit -t 79 ; scwrl3 -i /var/tmp/to_scwrl_85878179.pdb -s /var/tmp/to_scwrl_85878179.seq -o /var/tmp/from_scwrl_85878179.pdb > /var/tmp/scwrl_85878179.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_85878179.pdb # conformation set from SCWRL output # naming current conformation Bilab-ENABLE_TS2-scwrl # ReadConformPDB reading from PDB file servers/CIRCLE_TS1.pdb.gz looking for model 1 # Found a chain break before 76 # copying to AlignedFragments data structure # naming current conformation CIRCLE_TS1 # request to SCWRL produces command: ulimit -t 79 ; scwrl3 -i /var/tmp/to_scwrl_121039664.pdb -s /var/tmp/to_scwrl_121039664.seq -o /var/tmp/from_scwrl_121039664.pdb > /var/tmp/scwrl_121039664.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_121039664.pdb # conformation set from SCWRL output # naming current conformation CIRCLE_TS1-scwrl # ReadConformPDB reading from PDB file servers/CIRCLE_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0358 can't currently be optimized by undertaker # naming current conformation CIRCLE_TS2 # request to SCWRL produces command: ulimit -t 79 ; scwrl3 -i /var/tmp/to_scwrl_712066121.pdb -s /var/tmp/to_scwrl_712066121.seq -o /var/tmp/from_scwrl_712066121.pdb > /var/tmp/scwrl_712066121.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_712066121.pdb # conformation set from SCWRL output # naming current conformation CIRCLE_TS2-scwrl # ReadConformPDB reading from PDB file servers/CIRCLE_TS3.pdb.gz looking for model 1 # Found a chain break before 86 # copying to AlignedFragments data structure # naming current conformation CIRCLE_TS3 # request to SCWRL produces command: ulimit -t 79 ; scwrl3 -i /var/tmp/to_scwrl_498451779.pdb -s /var/tmp/to_scwrl_498451779.seq -o /var/tmp/from_scwrl_498451779.pdb > /var/tmp/scwrl_498451779.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_498451779.pdb # conformation set from SCWRL output # naming current conformation CIRCLE_TS3-scwrl # ReadConformPDB reading from PDB file servers/CIRCLE_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0358 can't currently be optimized by undertaker # naming current conformation CIRCLE_TS4 # request to SCWRL produces command: ulimit -t 79 ; scwrl3 -i /var/tmp/to_scwrl_425765095.pdb -s /var/tmp/to_scwrl_425765095.seq -o /var/tmp/from_scwrl_425765095.pdb > /var/tmp/scwrl_425765095.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_425765095.pdb # conformation set from SCWRL output # naming current conformation CIRCLE_TS4-scwrl # ReadConformPDB reading from PDB file servers/CIRCLE_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0358 can't currently be optimized by undertaker # naming current conformation CIRCLE_TS5 # request to SCWRL produces command: ulimit -t 79 ; scwrl3 -i /var/tmp/to_scwrl_2114169429.pdb -s /var/tmp/to_scwrl_2114169429.seq -o /var/tmp/from_scwrl_2114169429.pdb > /var/tmp/scwrl_2114169429.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2114169429.pdb # conformation set from SCWRL output # naming current conformation CIRCLE_TS5-scwrl # ReadConformPDB reading from PDB file servers/CaspIta-FOX_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0358 can't currently be optimized by undertaker # naming current conformation CaspIta-FOX_TS1 # request to SCWRL produces command: ulimit -t 79 ; scwrl3 -i /var/tmp/to_scwrl_1242412982.pdb -s /var/tmp/to_scwrl_1242412982.seq -o /var/tmp/from_scwrl_1242412982.pdb > /var/tmp/scwrl_1242412982.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1242412982.pdb # conformation set from SCWRL output # 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 T0358 can't currently be optimized by undertaker # naming current conformation CaspIta-FOX_TS2 # request to SCWRL produces command: ulimit -t 79 ; scwrl3 -i /var/tmp/to_scwrl_2145917728.pdb -s /var/tmp/to_scwrl_2145917728.seq -o /var/tmp/from_scwrl_2145917728.pdb > /var/tmp/scwrl_2145917728.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2145917728.pdb # conformation set from SCWRL output # naming current conformation CaspIta-FOX_TS2-scwrl # ReadConformPDB reading from PDB file servers/CaspIta-FOX_TS3.pdb.gz looking for model 1 # Found a chain break before 81 # copying to AlignedFragments data structure # naming current conformation CaspIta-FOX_TS3 # request to SCWRL produces command: ulimit -t 79 ; scwrl3 -i /var/tmp/to_scwrl_1079205727.pdb -s /var/tmp/to_scwrl_1079205727.seq -o /var/tmp/from_scwrl_1079205727.pdb > /var/tmp/scwrl_1079205727.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1079205727.pdb # conformation set from SCWRL output # 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 T0358 can't currently be optimized by undertaker # naming current conformation CaspIta-FOX_TS4 # request to SCWRL produces command: ulimit -t 79 ; scwrl3 -i /var/tmp/to_scwrl_441385410.pdb -s /var/tmp/to_scwrl_441385410.seq -o /var/tmp/from_scwrl_441385410.pdb > /var/tmp/scwrl_441385410.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_441385410.pdb # conformation set from SCWRL output # 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 T0358 can't currently be optimized by undertaker # naming current conformation CaspIta-FOX_TS5 # request to SCWRL produces command: ulimit -t 79 ; scwrl3 -i /var/tmp/to_scwrl_732538267.pdb -s /var/tmp/to_scwrl_732538267.seq -o /var/tmp/from_scwrl_732538267.pdb > /var/tmp/scwrl_732538267.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_732538267.pdb # conformation set from SCWRL output # naming current conformation CaspIta-FOX_TS5-scwrl # ReadConformPDB reading from PDB file servers/Distill_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0358 can't currently be optimized by undertaker # naming current conformation Distill_TS1 # request to SCWRL produces command: ulimit -t 79 ; scwrl3 -i /var/tmp/to_scwrl_901254962.pdb -s /var/tmp/to_scwrl_901254962.seq -o /var/tmp/from_scwrl_901254962.pdb > /var/tmp/scwrl_901254962.log Error: Couldn't open file /var/tmp/from_scwrl_901254962.pdb or /var/tmp/from_scwrl_901254962.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_901254962_b.pdb or decoys//var/tmp/from_scwrl_901254962_b.pdb.gz for input Trying /var/tmp/from_scwrl_901254962_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_901254962_b.pdb or /var/tmp/from_scwrl_901254962_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_901254962_a.pdb or decoys//var/tmp/from_scwrl_901254962_a.pdb.gz for input Trying /var/tmp/from_scwrl_901254962_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_901254962_a.pdb or /var/tmp/from_scwrl_901254962_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_901254962.pdb or /var/tmp/from_scwrl_901254962_b.pdb or /var/tmp/from_scwrl_901254962_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 T0358 can't currently be optimized by undertaker # naming current conformation Distill_TS2 # request to SCWRL produces command: ulimit -t 79 ; scwrl3 -i /var/tmp/to_scwrl_76326270.pdb -s /var/tmp/to_scwrl_76326270.seq -o /var/tmp/from_scwrl_76326270.pdb > /var/tmp/scwrl_76326270.log Error: Couldn't open file /var/tmp/from_scwrl_76326270.pdb or /var/tmp/from_scwrl_76326270.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_76326270_b.pdb or decoys//var/tmp/from_scwrl_76326270_b.pdb.gz for input Trying /var/tmp/from_scwrl_76326270_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_76326270_b.pdb or /var/tmp/from_scwrl_76326270_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_76326270_a.pdb or decoys//var/tmp/from_scwrl_76326270_a.pdb.gz for input Trying /var/tmp/from_scwrl_76326270_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_76326270_a.pdb or /var/tmp/from_scwrl_76326270_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_76326270.pdb or /var/tmp/from_scwrl_76326270_b.pdb or /var/tmp/from_scwrl_76326270_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 T0358 can't currently be optimized by undertaker # naming current conformation Distill_TS3 # request to SCWRL produces command: ulimit -t 79 ; scwrl3 -i /var/tmp/to_scwrl_1215076832.pdb -s /var/tmp/to_scwrl_1215076832.seq -o /var/tmp/from_scwrl_1215076832.pdb > /var/tmp/scwrl_1215076832.log Error: Couldn't open file /var/tmp/from_scwrl_1215076832.pdb or /var/tmp/from_scwrl_1215076832.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1215076832_b.pdb or decoys//var/tmp/from_scwrl_1215076832_b.pdb.gz for input Trying /var/tmp/from_scwrl_1215076832_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1215076832_b.pdb or /var/tmp/from_scwrl_1215076832_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1215076832_a.pdb or decoys//var/tmp/from_scwrl_1215076832_a.pdb.gz for input Trying /var/tmp/from_scwrl_1215076832_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1215076832_a.pdb or /var/tmp/from_scwrl_1215076832_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1215076832.pdb or /var/tmp/from_scwrl_1215076832_b.pdb or /var/tmp/from_scwrl_1215076832_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 T0358 can't currently be optimized by undertaker # naming current conformation Distill_TS4 # request to SCWRL produces command: ulimit -t 79 ; scwrl3 -i /var/tmp/to_scwrl_1672251901.pdb -s /var/tmp/to_scwrl_1672251901.seq -o /var/tmp/from_scwrl_1672251901.pdb > /var/tmp/scwrl_1672251901.log Error: Couldn't open file /var/tmp/from_scwrl_1672251901.pdb or /var/tmp/from_scwrl_1672251901.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1672251901_b.pdb or decoys//var/tmp/from_scwrl_1672251901_b.pdb.gz for input Trying /var/tmp/from_scwrl_1672251901_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1672251901_b.pdb or /var/tmp/from_scwrl_1672251901_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1672251901_a.pdb or decoys//var/tmp/from_scwrl_1672251901_a.pdb.gz for input Trying /var/tmp/from_scwrl_1672251901_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1672251901_a.pdb or /var/tmp/from_scwrl_1672251901_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1672251901.pdb or /var/tmp/from_scwrl_1672251901_b.pdb or /var/tmp/from_scwrl_1672251901_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 T0358 can't currently be optimized by undertaker # naming current conformation Distill_TS5 # request to SCWRL produces command: ulimit -t 79 ; scwrl3 -i /var/tmp/to_scwrl_875192871.pdb -s /var/tmp/to_scwrl_875192871.seq -o /var/tmp/from_scwrl_875192871.pdb > /var/tmp/scwrl_875192871.log Error: Couldn't open file /var/tmp/from_scwrl_875192871.pdb or /var/tmp/from_scwrl_875192871.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_875192871_b.pdb or decoys//var/tmp/from_scwrl_875192871_b.pdb.gz for input Trying /var/tmp/from_scwrl_875192871_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_875192871_b.pdb or /var/tmp/from_scwrl_875192871_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_875192871_a.pdb or decoys//var/tmp/from_scwrl_875192871_a.pdb.gz for input Trying /var/tmp/from_scwrl_875192871_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_875192871_a.pdb or /var/tmp/from_scwrl_875192871_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_875192871.pdb or /var/tmp/from_scwrl_875192871_b.pdb or /var/tmp/from_scwrl_875192871_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 82 # copying to AlignedFragments data structure # naming current conformation FAMSD_TS1 # request to SCWRL produces command: ulimit -t 79 ; scwrl3 -i /var/tmp/to_scwrl_1501195901.pdb -s /var/tmp/to_scwrl_1501195901.seq -o /var/tmp/from_scwrl_1501195901.pdb > /var/tmp/scwrl_1501195901.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1501195901.pdb # conformation set from SCWRL output # naming current conformation FAMSD_TS1-scwrl # ReadConformPDB reading from PDB file servers/FAMSD_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0358 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FAMSD_TS2 # request to SCWRL produces command: ulimit -t 79 ; scwrl3 -i /var/tmp/to_scwrl_1848813192.pdb -s /var/tmp/to_scwrl_1848813192.seq -o /var/tmp/from_scwrl_1848813192.pdb > /var/tmp/scwrl_1848813192.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1848813192.pdb # conformation set from SCWRL output # naming current conformation FAMSD_TS2-scwrl # ReadConformPDB reading from PDB file servers/FAMSD_TS3.pdb.gz looking for model 1 # Found a chain break before 81 # copying to AlignedFragments data structure # naming current conformation FAMSD_TS3 # request to SCWRL produces command: ulimit -t 79 ; scwrl3 -i /var/tmp/to_scwrl_1621077979.pdb -s /var/tmp/to_scwrl_1621077979.seq -o /var/tmp/from_scwrl_1621077979.pdb > /var/tmp/scwrl_1621077979.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1621077979.pdb # conformation set from SCWRL output # naming current conformation FAMSD_TS3-scwrl # ReadConformPDB reading from PDB file servers/FAMSD_TS4.pdb.gz looking for model 1 # Found a chain break before 77 # copying to AlignedFragments data structure # naming current conformation FAMSD_TS4 # request to SCWRL produces command: ulimit -t 79 ; scwrl3 -i /var/tmp/to_scwrl_1753652975.pdb -s /var/tmp/to_scwrl_1753652975.seq -o /var/tmp/from_scwrl_1753652975.pdb > /var/tmp/scwrl_1753652975.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1753652975.pdb # conformation set from SCWRL output # naming current conformation FAMSD_TS4-scwrl # ReadConformPDB reading from PDB file servers/FAMSD_TS5.pdb.gz looking for model 1 # Found a chain break before 67 # copying to AlignedFragments data structure # naming current conformation FAMSD_TS5 # request to SCWRL produces command: ulimit -t 79 ; scwrl3 -i /var/tmp/to_scwrl_1706301004.pdb -s /var/tmp/to_scwrl_1706301004.seq -o /var/tmp/from_scwrl_1706301004.pdb > /var/tmp/scwrl_1706301004.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1706301004.pdb # conformation set from SCWRL output # naming current conformation FAMSD_TS5-scwrl # ReadConformPDB reading from PDB file servers/FAMS_TS1.pdb.gz looking for model 1 # Found a chain break before 85 # copying to AlignedFragments data structure # naming current conformation FAMS_TS1 # request to SCWRL produces command: ulimit -t 79 ; scwrl3 -i /var/tmp/to_scwrl_1441907109.pdb -s /var/tmp/to_scwrl_1441907109.seq -o /var/tmp/from_scwrl_1441907109.pdb > /var/tmp/scwrl_1441907109.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1441907109.pdb # conformation set from SCWRL output # naming current conformation FAMS_TS1-scwrl # ReadConformPDB reading from PDB file servers/FAMS_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0358 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FAMS_TS2 # request to SCWRL produces command: ulimit -t 79 ; scwrl3 -i /var/tmp/to_scwrl_2100656392.pdb -s /var/tmp/to_scwrl_2100656392.seq -o /var/tmp/from_scwrl_2100656392.pdb > /var/tmp/scwrl_2100656392.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2100656392.pdb # conformation set from SCWRL output # naming current conformation FAMS_TS2-scwrl # ReadConformPDB reading from PDB file servers/FAMS_TS3.pdb.gz looking for model 1 # Found a chain break before 86 # copying to AlignedFragments data structure # naming current conformation FAMS_TS3 # request to SCWRL produces command: ulimit -t 79 ; scwrl3 -i /var/tmp/to_scwrl_223843948.pdb -s /var/tmp/to_scwrl_223843948.seq -o /var/tmp/from_scwrl_223843948.pdb > /var/tmp/scwrl_223843948.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_223843948.pdb # conformation set from SCWRL output # 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 76 # copying to AlignedFragments data structure # naming current conformation FAMS_TS4 # request to SCWRL produces command: ulimit -t 79 ; scwrl3 -i /var/tmp/to_scwrl_1324298796.pdb -s /var/tmp/to_scwrl_1324298796.seq -o /var/tmp/from_scwrl_1324298796.pdb > /var/tmp/scwrl_1324298796.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1324298796.pdb # conformation set from SCWRL output # naming current conformation FAMS_TS4-scwrl # ReadConformPDB reading from PDB file servers/FAMS_TS5.pdb.gz looking for model 1 # Found a chain break before 74 # copying to AlignedFragments data structure # naming current conformation FAMS_TS5 # request to SCWRL produces command: ulimit -t 79 ; scwrl3 -i /var/tmp/to_scwrl_110086408.pdb -s /var/tmp/to_scwrl_110086408.seq -o /var/tmp/from_scwrl_110086408.pdb > /var/tmp/scwrl_110086408.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_110086408.pdb # conformation set from SCWRL output # 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 8 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS1 # request to SCWRL produces command: ulimit -t 79 ; scwrl3 -i /var/tmp/to_scwrl_100622533.pdb -s /var/tmp/to_scwrl_100622533.seq -o /var/tmp/from_scwrl_100622533.pdb > /var/tmp/scwrl_100622533.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_100622533.pdb # conformation set from SCWRL output # naming current conformation FOLDpro_TS1-scwrl # ReadConformPDB reading from PDB file servers/FOLDpro_TS2.pdb.gz looking for model 1 # naming current conformation FOLDpro_TS2 # request to SCWRL produces command: ulimit -t 79 ; scwrl3 -i /var/tmp/to_scwrl_1569862768.pdb -s /var/tmp/to_scwrl_1569862768.seq -o /var/tmp/from_scwrl_1569862768.pdb > /var/tmp/scwrl_1569862768.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1569862768.pdb # conformation set from SCWRL output # 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 8 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS3 # request to SCWRL produces command: ulimit -t 79 ; scwrl3 -i /var/tmp/to_scwrl_556000937.pdb -s /var/tmp/to_scwrl_556000937.seq -o /var/tmp/from_scwrl_556000937.pdb > /var/tmp/scwrl_556000937.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_556000937.pdb # conformation set from SCWRL output # 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 55 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS4 # request to SCWRL produces command: ulimit -t 79 ; scwrl3 -i /var/tmp/to_scwrl_588068138.pdb -s /var/tmp/to_scwrl_588068138.seq -o /var/tmp/from_scwrl_588068138.pdb > /var/tmp/scwrl_588068138.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_588068138.pdb # conformation set from SCWRL output # 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 8 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS5 # request to SCWRL produces command: ulimit -t 79 ; scwrl3 -i /var/tmp/to_scwrl_289454320.pdb -s /var/tmp/to_scwrl_289454320.seq -o /var/tmp/from_scwrl_289454320.pdb > /var/tmp/scwrl_289454320.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_289454320.pdb # conformation set from SCWRL output # naming current conformation FOLDpro_TS5-scwrl # ReadConformPDB reading from PDB file servers/FORTE1_AL1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0358 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FORTE1_AL1 # request to SCWRL produces command: ulimit -t 79 ; scwrl3 -i /var/tmp/to_scwrl_641879116.pdb -s /var/tmp/to_scwrl_641879116.seq -o /var/tmp/from_scwrl_641879116.pdb > /var/tmp/scwrl_641879116.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_641879116.pdb # conformation set from SCWRL output # naming current conformation FORTE1_AL1-scwrl # ReadConformPDB reading from PDB file servers/FORTE1_AL2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0358 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FORTE1_AL2 # request to SCWRL produces command: ulimit -t 79 ; scwrl3 -i /var/tmp/to_scwrl_709107802.pdb -s /var/tmp/to_scwrl_709107802.seq -o /var/tmp/from_scwrl_709107802.pdb > /var/tmp/scwrl_709107802.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_709107802.pdb # conformation set from SCWRL output # naming current conformation FORTE1_AL2-scwrl # ReadConformPDB reading from PDB file servers/FORTE1_AL3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0358 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FORTE1_AL3 # request to SCWRL produces command: ulimit -t 79 ; scwrl3 -i /var/tmp/to_scwrl_1001520442.pdb -s /var/tmp/to_scwrl_1001520442.seq -o /var/tmp/from_scwrl_1001520442.pdb > /var/tmp/scwrl_1001520442.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1001520442.pdb # conformation set from SCWRL output # naming current conformation FORTE1_AL3-scwrl # ReadConformPDB reading from PDB file servers/FORTE1_AL4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0358 can't currently be optimized by undertaker # naming current conformation FORTE1_AL4 # request to SCWRL produces command: ulimit -t 79 ; scwrl3 -i /var/tmp/to_scwrl_1140330894.pdb -s /var/tmp/to_scwrl_1140330894.seq -o /var/tmp/from_scwrl_1140330894.pdb > /var/tmp/scwrl_1140330894.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1140330894.pdb # conformation set from SCWRL output # naming current conformation FORTE1_AL4-scwrl # ReadConformPDB reading from PDB file servers/FORTE1_AL5.pdb.gz looking for model 1 Skipped atom 190, because occupancy 1 <= existing 1.000 in servers/FORTE1_AL5.pdb.gz Skipped atom 192, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL5.pdb.gz Skipped atom 194, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL5.pdb.gz Skipped atom 196, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL5.pdb.gz # WARNING: incomplete conformation T0358 can't currently be optimized by undertaker # naming current conformation FORTE1_AL5 # request to SCWRL produces command: ulimit -t 79 ; scwrl3 -i /var/tmp/to_scwrl_1134872896.pdb -s /var/tmp/to_scwrl_1134872896.seq -o /var/tmp/from_scwrl_1134872896.pdb > /var/tmp/scwrl_1134872896.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1134872896.pdb # conformation set from SCWRL output # naming current conformation FORTE1_AL5-scwrl # ReadConformPDB reading from PDB file servers/FORTE2_AL1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0358 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FORTE2_AL1 # request to SCWRL produces command: ulimit -t 79 ; scwrl3 -i /var/tmp/to_scwrl_968206224.pdb -s /var/tmp/to_scwrl_968206224.seq -o /var/tmp/from_scwrl_968206224.pdb > /var/tmp/scwrl_968206224.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_968206224.pdb # conformation set from SCWRL output # naming current conformation FORTE2_AL1-scwrl # ReadConformPDB reading from PDB file servers/FORTE2_AL2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0358 can't currently be optimized by undertaker # naming current conformation FORTE2_AL2 # request to SCWRL produces command: ulimit -t 79 ; scwrl3 -i /var/tmp/to_scwrl_235260230.pdb -s /var/tmp/to_scwrl_235260230.seq -o /var/tmp/from_scwrl_235260230.pdb > /var/tmp/scwrl_235260230.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_235260230.pdb # conformation set from SCWRL output # naming current conformation FORTE2_AL2-scwrl # ReadConformPDB reading from PDB file servers/FORTE2_AL3.pdb.gz looking for model 1 Skipped atom 190, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL3.pdb.gz Skipped atom 192, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL3.pdb.gz Skipped atom 194, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL3.pdb.gz Skipped atom 196, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL3.pdb.gz # WARNING: incomplete conformation T0358 can't currently be optimized by undertaker # naming current conformation FORTE2_AL3 # request to SCWRL produces command: ulimit -t 79 ; scwrl3 -i /var/tmp/to_scwrl_1133306978.pdb -s /var/tmp/to_scwrl_1133306978.seq -o /var/tmp/from_scwrl_1133306978.pdb > /var/tmp/scwrl_1133306978.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1133306978.pdb # conformation set from SCWRL output # naming current conformation FORTE2_AL3-scwrl # ReadConformPDB reading from PDB file servers/FORTE2_AL4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0358 can't currently be optimized by undertaker # naming current conformation FORTE2_AL4 # request to SCWRL produces command: ulimit -t 79 ; scwrl3 -i /var/tmp/to_scwrl_2047411951.pdb -s /var/tmp/to_scwrl_2047411951.seq -o /var/tmp/from_scwrl_2047411951.pdb > /var/tmp/scwrl_2047411951.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2047411951.pdb # conformation set from SCWRL output # naming current conformation FORTE2_AL4-scwrl # ReadConformPDB reading from PDB file servers/FORTE2_AL5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0358 can't currently be optimized by undertaker # naming current conformation FORTE2_AL5 # request to SCWRL produces command: ulimit -t 79 ; scwrl3 -i /var/tmp/to_scwrl_676645640.pdb -s /var/tmp/to_scwrl_676645640.seq -o /var/tmp/from_scwrl_676645640.pdb > /var/tmp/scwrl_676645640.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_676645640.pdb # conformation set from SCWRL output # 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 74 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS1 # request to SCWRL produces command: ulimit -t 79 ; scwrl3 -i /var/tmp/to_scwrl_1865845245.pdb -s /var/tmp/to_scwrl_1865845245.seq -o /var/tmp/from_scwrl_1865845245.pdb > /var/tmp/scwrl_1865845245.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1865845245.pdb # conformation set from SCWRL output # naming current conformation FPSOLVER-SERVER_TS1-scwrl # ReadConformPDB reading from PDB file servers/FPSOLVER-SERVER_TS2.pdb.gz looking for model 1 # Found a chain break before 86 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS2 # request to SCWRL produces command: ulimit -t 79 ; scwrl3 -i /var/tmp/to_scwrl_801183266.pdb -s /var/tmp/to_scwrl_801183266.seq -o /var/tmp/from_scwrl_801183266.pdb > /var/tmp/scwrl_801183266.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_801183266.pdb # conformation set from SCWRL output # naming current conformation FPSOLVER-SERVER_TS2-scwrl # ReadConformPDB reading from PDB file servers/FPSOLVER-SERVER_TS3.pdb.gz looking for model 1 # naming current conformation FPSOLVER-SERVER_TS3 # request to SCWRL produces command: ulimit -t 79 ; scwrl3 -i /var/tmp/to_scwrl_752971910.pdb -s /var/tmp/to_scwrl_752971910.seq -o /var/tmp/from_scwrl_752971910.pdb > /var/tmp/scwrl_752971910.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_752971910.pdb # conformation set from SCWRL output # 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 85 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS4 # request to SCWRL produces command: ulimit -t 79 ; scwrl3 -i /var/tmp/to_scwrl_933438431.pdb -s /var/tmp/to_scwrl_933438431.seq -o /var/tmp/from_scwrl_933438431.pdb > /var/tmp/scwrl_933438431.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_933438431.pdb # conformation set from SCWRL output # naming current conformation FPSOLVER-SERVER_TS4-scwrl # ReadConformPDB reading from PDB file servers/FPSOLVER-SERVER_TS5.pdb.gz looking for model 1 # naming current conformation FPSOLVER-SERVER_TS5 # request to SCWRL produces command: ulimit -t 79 ; scwrl3 -i /var/tmp/to_scwrl_325951521.pdb -s /var/tmp/to_scwrl_325951521.seq -o /var/tmp/from_scwrl_325951521.pdb > /var/tmp/scwrl_325951521.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_325951521.pdb # conformation set from SCWRL output # naming current conformation FPSOLVER-SERVER_TS5-scwrl # ReadConformPDB reading from PDB file servers/FUGMOD_TS1.pdb.gz looking for model 1 # naming current conformation FUGMOD_TS1 # request to SCWRL produces command: ulimit -t 79 ; scwrl3 -i /var/tmp/to_scwrl_1628164780.pdb -s /var/tmp/to_scwrl_1628164780.seq -o /var/tmp/from_scwrl_1628164780.pdb > /var/tmp/scwrl_1628164780.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1628164780.pdb # conformation set from SCWRL output # 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 79 ; scwrl3 -i /var/tmp/to_scwrl_287150685.pdb -s /var/tmp/to_scwrl_287150685.seq -o /var/tmp/from_scwrl_287150685.pdb > /var/tmp/scwrl_287150685.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_287150685.pdb # conformation set from SCWRL output # naming current conformation FUGMOD_TS2-scwrl # ReadConformPDB reading from PDB file servers/FUGMOD_TS3.pdb.gz looking for model 1 # naming current conformation FUGMOD_TS3 # request to SCWRL produces command: ulimit -t 79 ; scwrl3 -i /var/tmp/to_scwrl_27281066.pdb -s /var/tmp/to_scwrl_27281066.seq -o /var/tmp/from_scwrl_27281066.pdb > /var/tmp/scwrl_27281066.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_27281066.pdb # conformation set from SCWRL output # naming current conformation FUGMOD_TS3-scwrl # ReadConformPDB reading from PDB file servers/FUGMOD_TS4.pdb.gz looking for model 1 # naming current conformation FUGMOD_TS4 # request to SCWRL produces command: ulimit -t 79 ; scwrl3 -i /var/tmp/to_scwrl_1101759112.pdb -s /var/tmp/to_scwrl_1101759112.seq -o /var/tmp/from_scwrl_1101759112.pdb > /var/tmp/scwrl_1101759112.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1101759112.pdb # conformation set from SCWRL output # naming current conformation FUGMOD_TS4-scwrl # ReadConformPDB reading from PDB file servers/FUGMOD_TS5.pdb.gz looking for model 1 # naming current conformation FUGMOD_TS5 # request to SCWRL produces command: ulimit -t 79 ; scwrl3 -i /var/tmp/to_scwrl_2040803660.pdb -s /var/tmp/to_scwrl_2040803660.seq -o /var/tmp/from_scwrl_2040803660.pdb > /var/tmp/scwrl_2040803660.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2040803660.pdb # conformation set from SCWRL output # naming current conformation FUGMOD_TS5-scwrl # ReadConformPDB reading from PDB file servers/FUGUE_AL1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0358 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FUGUE_AL1 # request to SCWRL produces command: ulimit -t 79 ; scwrl3 -i /var/tmp/to_scwrl_1733582070.pdb -s /var/tmp/to_scwrl_1733582070.seq -o /var/tmp/from_scwrl_1733582070.pdb > /var/tmp/scwrl_1733582070.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1733582070.pdb # conformation set from SCWRL output # naming current conformation FUGUE_AL1-scwrl # ReadConformPDB reading from PDB file servers/FUGUE_AL2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0358 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FUGUE_AL2 # request to SCWRL produces command: ulimit -t 79 ; scwrl3 -i /var/tmp/to_scwrl_396182576.pdb -s /var/tmp/to_scwrl_396182576.seq -o /var/tmp/from_scwrl_396182576.pdb > /var/tmp/scwrl_396182576.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_396182576.pdb # conformation set from SCWRL output # naming current conformation FUGUE_AL2-scwrl # ReadConformPDB reading from PDB file servers/FUGUE_AL3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0358 can't currently be optimized by undertaker # naming current conformation FUGUE_AL3 # request to SCWRL produces command: ulimit -t 79 ; scwrl3 -i /var/tmp/to_scwrl_1993976405.pdb -s /var/tmp/to_scwrl_1993976405.seq -o /var/tmp/from_scwrl_1993976405.pdb > /var/tmp/scwrl_1993976405.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1993976405.pdb # conformation set from SCWRL output # naming current conformation FUGUE_AL3-scwrl # ReadConformPDB reading from PDB file servers/FUGUE_AL4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0358 can't currently be optimized by undertaker # naming current conformation FUGUE_AL4 # request to SCWRL produces command: ulimit -t 79 ; scwrl3 -i /var/tmp/to_scwrl_1957426019.pdb -s /var/tmp/to_scwrl_1957426019.seq -o /var/tmp/from_scwrl_1957426019.pdb > /var/tmp/scwrl_1957426019.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1957426019.pdb # conformation set from SCWRL output # naming current conformation FUGUE_AL4-scwrl # ReadConformPDB reading from PDB file servers/FUGUE_AL5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0358 can't currently be optimized by undertaker # naming current conformation FUGUE_AL5 # request to SCWRL produces command: ulimit -t 79 ; scwrl3 -i /var/tmp/to_scwrl_1720481372.pdb -s /var/tmp/to_scwrl_1720481372.seq -o /var/tmp/from_scwrl_1720481372.pdb > /var/tmp/scwrl_1720481372.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1720481372.pdb # conformation set from SCWRL output # 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 80 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS1 # request to SCWRL produces command: ulimit -t 79 ; scwrl3 -i /var/tmp/to_scwrl_2104062813.pdb -s /var/tmp/to_scwrl_2104062813.seq -o /var/tmp/from_scwrl_2104062813.pdb > /var/tmp/scwrl_2104062813.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2104062813.pdb # conformation set from SCWRL output # 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 74 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS2 # request to SCWRL produces command: ulimit -t 79 ; scwrl3 -i /var/tmp/to_scwrl_2058048552.pdb -s /var/tmp/to_scwrl_2058048552.seq -o /var/tmp/from_scwrl_2058048552.pdb > /var/tmp/scwrl_2058048552.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2058048552.pdb # conformation set from SCWRL output # 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 85 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS3 # request to SCWRL produces command: ulimit -t 79 ; scwrl3 -i /var/tmp/to_scwrl_1142860493.pdb -s /var/tmp/to_scwrl_1142860493.seq -o /var/tmp/from_scwrl_1142860493.pdb > /var/tmp/scwrl_1142860493.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1142860493.pdb # conformation set from SCWRL output # 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 73 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS4 # request to SCWRL produces command: ulimit -t 79 ; scwrl3 -i /var/tmp/to_scwrl_512580103.pdb -s /var/tmp/to_scwrl_512580103.seq -o /var/tmp/from_scwrl_512580103.pdb > /var/tmp/scwrl_512580103.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_512580103.pdb # conformation set from SCWRL output # 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 76 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS5 # request to SCWRL produces command: ulimit -t 79 ; scwrl3 -i /var/tmp/to_scwrl_498633044.pdb -s /var/tmp/to_scwrl_498633044.seq -o /var/tmp/from_scwrl_498633044.pdb > /var/tmp/scwrl_498633044.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_498633044.pdb # conformation set from SCWRL output # naming current conformation FUNCTION_TS5-scwrl # ReadConformPDB reading from PDB file servers/GeneSilicoMetaServer_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0358 can't currently be optimized by undertaker # naming current conformation GeneSilicoMetaServer_TS1 # request to SCWRL produces command: ulimit -t 79 ; scwrl3 -i /var/tmp/to_scwrl_1432314814.pdb -s /var/tmp/to_scwrl_1432314814.seq -o /var/tmp/from_scwrl_1432314814.pdb > /var/tmp/scwrl_1432314814.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1432314814.pdb # conformation set from SCWRL output # naming current conformation GeneSilicoMetaServer_TS1-scwrl # ReadConformPDB reading from PDB file servers/GeneSilicoMetaServer_TS2.pdb.gz looking for model 1 # Found a chain break before 49 # copying to AlignedFragments data structure # naming current conformation GeneSilicoMetaServer_TS2 # request to SCWRL produces command: ulimit -t 79 ; scwrl3 -i /var/tmp/to_scwrl_1154459219.pdb -s /var/tmp/to_scwrl_1154459219.seq -o /var/tmp/from_scwrl_1154459219.pdb > /var/tmp/scwrl_1154459219.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1154459219.pdb # conformation set from SCWRL output # naming current conformation GeneSilicoMetaServer_TS2-scwrl # ReadConformPDB reading from PDB file servers/GeneSilicoMetaServer_TS3.pdb.gz looking for model 1 # Found a chain break before 42 # copying to AlignedFragments data structure # naming current conformation GeneSilicoMetaServer_TS3 # request to SCWRL produces command: ulimit -t 79 ; scwrl3 -i /var/tmp/to_scwrl_1207740845.pdb -s /var/tmp/to_scwrl_1207740845.seq -o /var/tmp/from_scwrl_1207740845.pdb > /var/tmp/scwrl_1207740845.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1207740845.pdb # conformation set from SCWRL output # naming current conformation GeneSilicoMetaServer_TS3-scwrl # ReadConformPDB reading from PDB file servers/GeneSilicoMetaServer_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0358 can't currently be optimized by undertaker # naming current conformation GeneSilicoMetaServer_TS4 # request to SCWRL produces command: ulimit -t 79 ; scwrl3 -i /var/tmp/to_scwrl_286351609.pdb -s /var/tmp/to_scwrl_286351609.seq -o /var/tmp/from_scwrl_286351609.pdb > /var/tmp/scwrl_286351609.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_286351609.pdb # conformation set from SCWRL output # naming current conformation GeneSilicoMetaServer_TS4-scwrl # ReadConformPDB reading from PDB file servers/GeneSilicoMetaServer_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0358 can't currently be optimized by undertaker # naming current conformation GeneSilicoMetaServer_TS5 # request to SCWRL produces command: ulimit -t 79 ; scwrl3 -i /var/tmp/to_scwrl_147306467.pdb -s /var/tmp/to_scwrl_147306467.seq -o /var/tmp/from_scwrl_147306467.pdb > /var/tmp/scwrl_147306467.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_147306467.pdb # conformation set from SCWRL output # 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 11 # copying to AlignedFragments data structure # naming current conformation HHpred1_TS1 # request to SCWRL produces command: ulimit -t 79 ; scwrl3 -i /var/tmp/to_scwrl_195130096.pdb -s /var/tmp/to_scwrl_195130096.seq -o /var/tmp/from_scwrl_195130096.pdb > /var/tmp/scwrl_195130096.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_195130096.pdb # conformation set from SCWRL output # naming current conformation HHpred1_TS1-scwrl # ReadConformPDB reading from PDB file servers/HHpred2_TS1.pdb.gz looking for model 1 # Found a chain break before 11 # copying to AlignedFragments data structure # naming current conformation HHpred2_TS1 # request to SCWRL produces command: ulimit -t 79 ; scwrl3 -i /var/tmp/to_scwrl_1254557832.pdb -s /var/tmp/to_scwrl_1254557832.seq -o /var/tmp/from_scwrl_1254557832.pdb > /var/tmp/scwrl_1254557832.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1254557832.pdb # conformation set from SCWRL output # naming current conformation HHpred2_TS1-scwrl # ReadConformPDB reading from PDB file servers/HHpred3_TS1.pdb.gz looking for model 1 # Found a chain break before 54 # copying to AlignedFragments data structure # naming current conformation HHpred3_TS1 # request to SCWRL produces command: ulimit -t 79 ; scwrl3 -i /var/tmp/to_scwrl_382566698.pdb -s /var/tmp/to_scwrl_382566698.seq -o /var/tmp/from_scwrl_382566698.pdb > /var/tmp/scwrl_382566698.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_382566698.pdb # conformation set from SCWRL output # 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 T0358 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS1 # request to SCWRL produces command: ulimit -t 79 ; scwrl3 -i /var/tmp/to_scwrl_1328437074.pdb -s /var/tmp/to_scwrl_1328437074.seq -o /var/tmp/from_scwrl_1328437074.pdb > /var/tmp/scwrl_1328437074.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1328437074.pdb # conformation set from SCWRL output # 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 T0358 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS2 # request to SCWRL produces command: ulimit -t 79 ; scwrl3 -i /var/tmp/to_scwrl_1154486136.pdb -s /var/tmp/to_scwrl_1154486136.seq -o /var/tmp/from_scwrl_1154486136.pdb > /var/tmp/scwrl_1154486136.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1154486136.pdb # conformation set from SCWRL output # 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 T0358 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS3 # request to SCWRL produces command: ulimit -t 79 ; scwrl3 -i /var/tmp/to_scwrl_1059212338.pdb -s /var/tmp/to_scwrl_1059212338.seq -o /var/tmp/from_scwrl_1059212338.pdb > /var/tmp/scwrl_1059212338.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1059212338.pdb # conformation set from SCWRL output # 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 T0358 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS4 # request to SCWRL produces command: ulimit -t 79 ; scwrl3 -i /var/tmp/to_scwrl_1046798673.pdb -s /var/tmp/to_scwrl_1046798673.seq -o /var/tmp/from_scwrl_1046798673.pdb > /var/tmp/scwrl_1046798673.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1046798673.pdb # conformation set from SCWRL output # 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 T0358 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS5 # request to SCWRL produces command: ulimit -t 79 ; scwrl3 -i /var/tmp/to_scwrl_1955669402.pdb -s /var/tmp/to_scwrl_1955669402.seq -o /var/tmp/from_scwrl_1955669402.pdb > /var/tmp/scwrl_1955669402.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1955669402.pdb # conformation set from SCWRL output # 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 T0358 can't currently be optimized by undertaker # naming current conformation LOOPP_TS1 # request to SCWRL produces command: ulimit -t 79 ; scwrl3 -i /var/tmp/to_scwrl_1812184248.pdb -s /var/tmp/to_scwrl_1812184248.seq -o /var/tmp/from_scwrl_1812184248.pdb > /var/tmp/scwrl_1812184248.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1812184248.pdb # conformation set from SCWRL output # naming current conformation LOOPP_TS1-scwrl # ReadConformPDB reading from PDB file servers/LOOPP_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0358 can't currently be optimized by undertaker # naming current conformation LOOPP_TS2 # request to SCWRL produces command: ulimit -t 79 ; scwrl3 -i /var/tmp/to_scwrl_1980237103.pdb -s /var/tmp/to_scwrl_1980237103.seq -o /var/tmp/from_scwrl_1980237103.pdb > /var/tmp/scwrl_1980237103.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1980237103.pdb # conformation set from SCWRL output # naming current conformation LOOPP_TS2-scwrl # ReadConformPDB reading from PDB file servers/LOOPP_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0358 can't currently be optimized by undertaker # naming current conformation LOOPP_TS3 # request to SCWRL produces command: ulimit -t 79 ; scwrl3 -i /var/tmp/to_scwrl_134137276.pdb -s /var/tmp/to_scwrl_134137276.seq -o /var/tmp/from_scwrl_134137276.pdb > /var/tmp/scwrl_134137276.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_134137276.pdb # conformation set from SCWRL output # naming current conformation LOOPP_TS3-scwrl # ReadConformPDB reading from PDB file servers/LOOPP_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0358 can't currently be optimized by undertaker # naming current conformation LOOPP_TS4 # request to SCWRL produces command: ulimit -t 79 ; scwrl3 -i /var/tmp/to_scwrl_1292865381.pdb -s /var/tmp/to_scwrl_1292865381.seq -o /var/tmp/from_scwrl_1292865381.pdb > /var/tmp/scwrl_1292865381.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1292865381.pdb # conformation set from SCWRL output # naming current conformation LOOPP_TS4-scwrl # ReadConformPDB reading from PDB file servers/LOOPP_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0358 can't currently be optimized by undertaker # naming current conformation LOOPP_TS5 # request to SCWRL produces command: ulimit -t 79 ; scwrl3 -i /var/tmp/to_scwrl_119904141.pdb -s /var/tmp/to_scwrl_119904141.seq -o /var/tmp/from_scwrl_119904141.pdb > /var/tmp/scwrl_119904141.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_119904141.pdb # conformation set from SCWRL output # naming current conformation LOOPP_TS5-scwrl # ReadConformPDB reading from PDB file servers/MIG_FROST_AL1.pdb.gz looking for model 1 Error: Reading chain from PDB file servers/MIG_FROST_AL1.pdb.gz failed. # naming current conformation MIG_FROST_AL1 # request to SCWRL produces command: ulimit -t 79 ; scwrl3 -i /var/tmp/to_scwrl_161418342.pdb -s /var/tmp/to_scwrl_161418342.seq -o /var/tmp/from_scwrl_161418342.pdb > /var/tmp/scwrl_161418342.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_161418342.pdb # conformation set from SCWRL output # naming current conformation MIG_FROST_AL1-scwrl # ReadConformPDB reading from PDB file servers/Ma-OPUS-server2_TS1.pdb.gz looking for model 1 # Found a chain break before 6 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server2_TS1 # request to SCWRL produces command: ulimit -t 79 ; scwrl3 -i /var/tmp/to_scwrl_247140848.pdb -s /var/tmp/to_scwrl_247140848.seq -o /var/tmp/from_scwrl_247140848.pdb > /var/tmp/scwrl_247140848.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_247140848.pdb # conformation set from SCWRL output # naming current conformation Ma-OPUS-server2_TS1-scwrl # ReadConformPDB reading from PDB file servers/Ma-OPUS-server2_TS2.pdb.gz looking for model 1 # naming current conformation Ma-OPUS-server2_TS2 # request to SCWRL produces command: ulimit -t 79 ; scwrl3 -i /var/tmp/to_scwrl_13224154.pdb -s /var/tmp/to_scwrl_13224154.seq -o /var/tmp/from_scwrl_13224154.pdb > /var/tmp/scwrl_13224154.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_13224154.pdb # conformation set from SCWRL output # naming current conformation Ma-OPUS-server2_TS2-scwrl # ReadConformPDB reading from PDB file servers/Ma-OPUS-server2_TS3.pdb.gz looking for model 1 # Found a chain break before 67 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server2_TS3 # request to SCWRL produces command: ulimit -t 79 ; scwrl3 -i /var/tmp/to_scwrl_1895000413.pdb -s /var/tmp/to_scwrl_1895000413.seq -o /var/tmp/from_scwrl_1895000413.pdb > /var/tmp/scwrl_1895000413.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1895000413.pdb # conformation set from SCWRL output # naming current conformation Ma-OPUS-server2_TS3-scwrl # ReadConformPDB reading from PDB file servers/Ma-OPUS-server2_TS4.pdb.gz looking for model 1 # Found a chain break before 54 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server2_TS4 # request to SCWRL produces command: ulimit -t 79 ; scwrl3 -i /var/tmp/to_scwrl_643323424.pdb -s /var/tmp/to_scwrl_643323424.seq -o /var/tmp/from_scwrl_643323424.pdb > /var/tmp/scwrl_643323424.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_643323424.pdb # conformation set from SCWRL output # naming current conformation Ma-OPUS-server2_TS4-scwrl # ReadConformPDB reading from PDB file servers/Ma-OPUS-server2_TS5.pdb.gz looking for model 1 # Found a chain break before 45 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server2_TS5 # request to SCWRL produces command: ulimit -t 79 ; scwrl3 -i /var/tmp/to_scwrl_2007200559.pdb -s /var/tmp/to_scwrl_2007200559.seq -o /var/tmp/from_scwrl_2007200559.pdb > /var/tmp/scwrl_2007200559.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2007200559.pdb # conformation set from SCWRL output # naming current conformation Ma-OPUS-server2_TS5-scwrl # ReadConformPDB reading from PDB file servers/Ma-OPUS-server_TS1.pdb.gz looking for model 1 # Found a chain break before 66 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS1 # request to SCWRL produces command: ulimit -t 79 ; scwrl3 -i /var/tmp/to_scwrl_1704942785.pdb -s /var/tmp/to_scwrl_1704942785.seq -o /var/tmp/from_scwrl_1704942785.pdb > /var/tmp/scwrl_1704942785.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1704942785.pdb # conformation set from SCWRL output # 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 45 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS2 # request to SCWRL produces command: ulimit -t 79 ; scwrl3 -i /var/tmp/to_scwrl_216321149.pdb -s /var/tmp/to_scwrl_216321149.seq -o /var/tmp/from_scwrl_216321149.pdb > /var/tmp/scwrl_216321149.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_216321149.pdb # conformation set from SCWRL output # naming current conformation Ma-OPUS-server_TS2-scwrl # ReadConformPDB reading from PDB file servers/Ma-OPUS-server_TS3.pdb.gz looking for model 1 # naming current conformation Ma-OPUS-server_TS3 # request to SCWRL produces command: ulimit -t 79 ; scwrl3 -i /var/tmp/to_scwrl_1963779725.pdb -s /var/tmp/to_scwrl_1963779725.seq -o /var/tmp/from_scwrl_1963779725.pdb > /var/tmp/scwrl_1963779725.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1963779725.pdb # conformation set from SCWRL output # 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 54 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS4 # request to SCWRL produces command: ulimit -t 79 ; scwrl3 -i /var/tmp/to_scwrl_1615507690.pdb -s /var/tmp/to_scwrl_1615507690.seq -o /var/tmp/from_scwrl_1615507690.pdb > /var/tmp/scwrl_1615507690.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1615507690.pdb # conformation set from SCWRL output # 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 71 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS5 # request to SCWRL produces command: ulimit -t 79 ; scwrl3 -i /var/tmp/to_scwrl_1359181642.pdb -s /var/tmp/to_scwrl_1359181642.seq -o /var/tmp/from_scwrl_1359181642.pdb > /var/tmp/scwrl_1359181642.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1359181642.pdb # conformation set from SCWRL output # 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 86 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS1 # request to SCWRL produces command: ulimit -t 79 ; scwrl3 -i /var/tmp/to_scwrl_328876181.pdb -s /var/tmp/to_scwrl_328876181.seq -o /var/tmp/from_scwrl_328876181.pdb > /var/tmp/scwrl_328876181.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_328876181.pdb # conformation set from SCWRL output # 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 83 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS2 # request to SCWRL produces command: ulimit -t 79 ; scwrl3 -i /var/tmp/to_scwrl_2114140734.pdb -s /var/tmp/to_scwrl_2114140734.seq -o /var/tmp/from_scwrl_2114140734.pdb > /var/tmp/scwrl_2114140734.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2114140734.pdb # conformation set from SCWRL output # 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 85 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS3 # request to SCWRL produces command: ulimit -t 79 ; scwrl3 -i /var/tmp/to_scwrl_644012810.pdb -s /var/tmp/to_scwrl_644012810.seq -o /var/tmp/from_scwrl_644012810.pdb > /var/tmp/scwrl_644012810.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_644012810.pdb # conformation set from SCWRL output # 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 83 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS4 # request to SCWRL produces command: ulimit -t 79 ; scwrl3 -i /var/tmp/to_scwrl_1483335400.pdb -s /var/tmp/to_scwrl_1483335400.seq -o /var/tmp/from_scwrl_1483335400.pdb > /var/tmp/scwrl_1483335400.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1483335400.pdb # conformation set from SCWRL output # 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 83 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS5 # request to SCWRL produces command: ulimit -t 79 ; scwrl3 -i /var/tmp/to_scwrl_1174397933.pdb -s /var/tmp/to_scwrl_1174397933.seq -o /var/tmp/from_scwrl_1174397933.pdb > /var/tmp/scwrl_1174397933.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1174397933.pdb # conformation set from SCWRL output # 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 T0358 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation NN_PUT_lab_TS1 # request to SCWRL produces command: ulimit -t 79 ; scwrl3 -i /var/tmp/to_scwrl_930364419.pdb -s /var/tmp/to_scwrl_930364419.seq -o /var/tmp/from_scwrl_930364419.pdb > /var/tmp/scwrl_930364419.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_930364419.pdb # conformation set from SCWRL output # 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 67 # copying to AlignedFragments data structure # naming current conformation POMYSL_TS1 # request to SCWRL produces command: ulimit -t 79 ; scwrl3 -i /var/tmp/to_scwrl_1630641868.pdb -s /var/tmp/to_scwrl_1630641868.seq -o /var/tmp/from_scwrl_1630641868.pdb > /var/tmp/scwrl_1630641868.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1630641868.pdb # conformation set from SCWRL output # 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 39 # copying to AlignedFragments data structure # naming current conformation POMYSL_TS2 # request to SCWRL produces command: ulimit -t 79 ; scwrl3 -i /var/tmp/to_scwrl_1369528029.pdb -s /var/tmp/to_scwrl_1369528029.seq -o /var/tmp/from_scwrl_1369528029.pdb > /var/tmp/scwrl_1369528029.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1369528029.pdb # conformation set from SCWRL output # 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 59 # copying to AlignedFragments data structure # naming current conformation POMYSL_TS3 # request to SCWRL produces command: ulimit -t 79 ; scwrl3 -i /var/tmp/to_scwrl_37438604.pdb -s /var/tmp/to_scwrl_37438604.seq -o /var/tmp/from_scwrl_37438604.pdb > /var/tmp/scwrl_37438604.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_37438604.pdb # conformation set from SCWRL output # 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 84 # copying to AlignedFragments data structure # naming current conformation POMYSL_TS4 # request to SCWRL produces command: ulimit -t 79 ; scwrl3 -i /var/tmp/to_scwrl_2013208566.pdb -s /var/tmp/to_scwrl_2013208566.seq -o /var/tmp/from_scwrl_2013208566.pdb > /var/tmp/scwrl_2013208566.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2013208566.pdb # conformation set from SCWRL output # 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 86 # copying to AlignedFragments data structure # naming current conformation POMYSL_TS5 # request to SCWRL produces command: ulimit -t 79 ; scwrl3 -i /var/tmp/to_scwrl_550481457.pdb -s /var/tmp/to_scwrl_550481457.seq -o /var/tmp/from_scwrl_550481457.pdb > /var/tmp/scwrl_550481457.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_550481457.pdb # conformation set from SCWRL output # 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 79 ; scwrl3 -i /var/tmp/to_scwrl_1191924740.pdb -s /var/tmp/to_scwrl_1191924740.seq -o /var/tmp/from_scwrl_1191924740.pdb > /var/tmp/scwrl_1191924740.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1191924740.pdb # conformation set from SCWRL output # 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 79 ; scwrl3 -i /var/tmp/to_scwrl_924937257.pdb -s /var/tmp/to_scwrl_924937257.seq -o /var/tmp/from_scwrl_924937257.pdb > /var/tmp/scwrl_924937257.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_924937257.pdb # conformation set from SCWRL output # 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 79 ; scwrl3 -i /var/tmp/to_scwrl_1597280129.pdb -s /var/tmp/to_scwrl_1597280129.seq -o /var/tmp/from_scwrl_1597280129.pdb > /var/tmp/scwrl_1597280129.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1597280129.pdb # conformation set from SCWRL output # 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 79 ; scwrl3 -i /var/tmp/to_scwrl_1000110497.pdb -s /var/tmp/to_scwrl_1000110497.seq -o /var/tmp/from_scwrl_1000110497.pdb > /var/tmp/scwrl_1000110497.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1000110497.pdb # conformation set from SCWRL output # 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 79 ; scwrl3 -i /var/tmp/to_scwrl_589637858.pdb -s /var/tmp/to_scwrl_589637858.seq -o /var/tmp/from_scwrl_589637858.pdb > /var/tmp/scwrl_589637858.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_589637858.pdb # conformation set from SCWRL output # naming current conformation PROTINFO-AB_TS5-scwrl # ReadConformPDB reading from PDB file servers/PROTINFO_TS1.pdb.gz looking for model 1 # naming current conformation PROTINFO_TS1 # request to SCWRL produces command: ulimit -t 79 ; scwrl3 -i /var/tmp/to_scwrl_1430033585.pdb -s /var/tmp/to_scwrl_1430033585.seq -o /var/tmp/from_scwrl_1430033585.pdb > /var/tmp/scwrl_1430033585.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1430033585.pdb # conformation set from SCWRL output # 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 79 ; scwrl3 -i /var/tmp/to_scwrl_1134247772.pdb -s /var/tmp/to_scwrl_1134247772.seq -o /var/tmp/from_scwrl_1134247772.pdb > /var/tmp/scwrl_1134247772.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1134247772.pdb # conformation set from SCWRL output # naming current conformation PROTINFO_TS2-scwrl # ReadConformPDB reading from PDB file servers/PROTINFO_TS3.pdb.gz looking for model 1 # Found a chain break before 83 # copying to AlignedFragments data structure # naming current conformation PROTINFO_TS3 # request to SCWRL produces command: ulimit -t 79 ; scwrl3 -i /var/tmp/to_scwrl_1882503240.pdb -s /var/tmp/to_scwrl_1882503240.seq -o /var/tmp/from_scwrl_1882503240.pdb > /var/tmp/scwrl_1882503240.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1882503240.pdb # conformation set from SCWRL output # 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 79 ; scwrl3 -i /var/tmp/to_scwrl_1549937726.pdb -s /var/tmp/to_scwrl_1549937726.seq -o /var/tmp/from_scwrl_1549937726.pdb > /var/tmp/scwrl_1549937726.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1549937726.pdb # conformation set from SCWRL output # 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 64 # copying to AlignedFragments data structure # naming current conformation PROTINFO_TS5 # request to SCWRL produces command: ulimit -t 79 ; scwrl3 -i /var/tmp/to_scwrl_1295666115.pdb -s /var/tmp/to_scwrl_1295666115.seq -o /var/tmp/from_scwrl_1295666115.pdb > /var/tmp/scwrl_1295666115.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1295666115.pdb # conformation set from SCWRL output # naming current conformation PROTINFO_TS5-scwrl # ReadConformPDB reading from PDB file servers/Pcons6_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0358 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation Pcons6_TS1 # request to SCWRL produces command: ulimit -t 79 ; scwrl3 -i /var/tmp/to_scwrl_2129644088.pdb -s /var/tmp/to_scwrl_2129644088.seq -o /var/tmp/from_scwrl_2129644088.pdb > /var/tmp/scwrl_2129644088.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2129644088.pdb # conformation set from SCWRL output # naming current conformation Pcons6_TS1-scwrl # ReadConformPDB reading from PDB file servers/Pcons6_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0358 can't currently be optimized by undertaker # naming current conformation Pcons6_TS2 # request to SCWRL produces command: ulimit -t 79 ; scwrl3 -i /var/tmp/to_scwrl_1563161880.pdb -s /var/tmp/to_scwrl_1563161880.seq -o /var/tmp/from_scwrl_1563161880.pdb > /var/tmp/scwrl_1563161880.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1563161880.pdb # conformation set from SCWRL output # naming current conformation Pcons6_TS2-scwrl # ReadConformPDB reading from PDB file servers/Pcons6_TS3.pdb.gz looking for model 1 # naming current conformation Pcons6_TS3 # request to SCWRL produces command: ulimit -t 79 ; scwrl3 -i /var/tmp/to_scwrl_1043182882.pdb -s /var/tmp/to_scwrl_1043182882.seq -o /var/tmp/from_scwrl_1043182882.pdb > /var/tmp/scwrl_1043182882.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1043182882.pdb # conformation set from SCWRL output # naming current conformation Pcons6_TS3-scwrl # ReadConformPDB reading from PDB file servers/Pcons6_TS4.pdb.gz looking for model 1 # naming current conformation Pcons6_TS4 # request to SCWRL produces command: ulimit -t 79 ; scwrl3 -i /var/tmp/to_scwrl_625483865.pdb -s /var/tmp/to_scwrl_625483865.seq -o /var/tmp/from_scwrl_625483865.pdb > /var/tmp/scwrl_625483865.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_625483865.pdb # conformation set from SCWRL output # naming current conformation Pcons6_TS4-scwrl # ReadConformPDB reading from PDB file servers/Pcons6_TS5.pdb.gz looking for model 1 # naming current conformation Pcons6_TS5 # request to SCWRL produces command: ulimit -t 79 ; scwrl3 -i /var/tmp/to_scwrl_1422878792.pdb -s /var/tmp/to_scwrl_1422878792.seq -o /var/tmp/from_scwrl_1422878792.pdb > /var/tmp/scwrl_1422878792.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1422878792.pdb # conformation set from SCWRL output # naming current conformation Pcons6_TS5-scwrl # ReadConformPDB reading from PDB file servers/Phyre-1_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0358 can't currently be optimized by undertaker # naming current conformation Phyre-1_TS1 # request to SCWRL produces command: ulimit -t 79 ; scwrl3 -i /var/tmp/to_scwrl_600642020.pdb -s /var/tmp/to_scwrl_600642020.seq -o /var/tmp/from_scwrl_600642020.pdb > /var/tmp/scwrl_600642020.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_600642020.pdb # conformation set from SCWRL output # naming current conformation Phyre-1_TS1-scwrl # ReadConformPDB reading from PDB file servers/Phyre-2_TS1.pdb.gz looking for model 1 # Found a chain break before 85 # copying to AlignedFragments data structure # naming current conformation Phyre-2_TS1 # request to SCWRL produces command: ulimit -t 79 ; scwrl3 -i /var/tmp/to_scwrl_841805014.pdb -s /var/tmp/to_scwrl_841805014.seq -o /var/tmp/from_scwrl_841805014.pdb > /var/tmp/scwrl_841805014.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_841805014.pdb # conformation set from SCWRL output # naming current conformation Phyre-2_TS1-scwrl # ReadConformPDB reading from PDB file servers/Phyre-2_TS2.pdb.gz looking for model 1 # naming current conformation Phyre-2_TS2 # request to SCWRL produces command: ulimit -t 79 ; scwrl3 -i /var/tmp/to_scwrl_1239174870.pdb -s /var/tmp/to_scwrl_1239174870.seq -o /var/tmp/from_scwrl_1239174870.pdb > /var/tmp/scwrl_1239174870.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1239174870.pdb # conformation set from SCWRL output # naming current conformation Phyre-2_TS2-scwrl # ReadConformPDB reading from PDB file servers/Phyre-2_TS3.pdb.gz looking for model 1 # Found a chain break before 85 # copying to AlignedFragments data structure # naming current conformation Phyre-2_TS3 # request to SCWRL produces command: ulimit -t 79 ; scwrl3 -i /var/tmp/to_scwrl_68666063.pdb -s /var/tmp/to_scwrl_68666063.seq -o /var/tmp/from_scwrl_68666063.pdb > /var/tmp/scwrl_68666063.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_68666063.pdb # conformation set from SCWRL output # naming current conformation Phyre-2_TS3-scwrl # ReadConformPDB reading from PDB file servers/Phyre-2_TS4.pdb.gz looking for model 1 # Found a chain break before 50 # copying to AlignedFragments data structure # naming current conformation Phyre-2_TS4 # request to SCWRL produces command: ulimit -t 79 ; scwrl3 -i /var/tmp/to_scwrl_53503009.pdb -s /var/tmp/to_scwrl_53503009.seq -o /var/tmp/from_scwrl_53503009.pdb > /var/tmp/scwrl_53503009.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_53503009.pdb # conformation set from SCWRL output # naming current conformation Phyre-2_TS4-scwrl # ReadConformPDB reading from PDB file servers/Phyre-2_TS5.pdb.gz looking for model 1 # Found a chain break before 34 # copying to AlignedFragments data structure # naming current conformation Phyre-2_TS5 # request to SCWRL produces command: ulimit -t 79 ; scwrl3 -i /var/tmp/to_scwrl_1568051051.pdb -s /var/tmp/to_scwrl_1568051051.seq -o /var/tmp/from_scwrl_1568051051.pdb > /var/tmp/scwrl_1568051051.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1568051051.pdb # conformation set from SCWRL output # naming current conformation Phyre-2_TS5-scwrl # ReadConformPDB reading from PDB file servers/Pmodeller6_TS1.pdb.gz looking for model 1 # naming current conformation Pmodeller6_TS1 # request to SCWRL produces command: ulimit -t 79 ; scwrl3 -i /var/tmp/to_scwrl_35323151.pdb -s /var/tmp/to_scwrl_35323151.seq -o /var/tmp/from_scwrl_35323151.pdb > /var/tmp/scwrl_35323151.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_35323151.pdb # conformation set from SCWRL output # naming current conformation Pmodeller6_TS1-scwrl # ReadConformPDB reading from PDB file servers/Pmodeller6_TS2.pdb.gz looking for model 1 # naming current conformation Pmodeller6_TS2 # request to SCWRL produces command: ulimit -t 79 ; scwrl3 -i /var/tmp/to_scwrl_697515820.pdb -s /var/tmp/to_scwrl_697515820.seq -o /var/tmp/from_scwrl_697515820.pdb > /var/tmp/scwrl_697515820.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_697515820.pdb # conformation set from SCWRL output # 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 58 # copying to AlignedFragments data structure # naming current conformation Pmodeller6_TS3 # request to SCWRL produces command: ulimit -t 79 ; scwrl3 -i /var/tmp/to_scwrl_903902806.pdb -s /var/tmp/to_scwrl_903902806.seq -o /var/tmp/from_scwrl_903902806.pdb > /var/tmp/scwrl_903902806.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_903902806.pdb # conformation set from SCWRL output # naming current conformation Pmodeller6_TS3-scwrl # ReadConformPDB reading from PDB file servers/Pmodeller6_TS4.pdb.gz looking for model 1 # naming current conformation Pmodeller6_TS4 # request to SCWRL produces command: ulimit -t 79 ; scwrl3 -i /var/tmp/to_scwrl_1209721084.pdb -s /var/tmp/to_scwrl_1209721084.seq -o /var/tmp/from_scwrl_1209721084.pdb > /var/tmp/scwrl_1209721084.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1209721084.pdb # conformation set from SCWRL output # naming current conformation Pmodeller6_TS4-scwrl # ReadConformPDB reading from PDB file servers/Pmodeller6_TS5.pdb.gz looking for model 1 # naming current conformation Pmodeller6_TS5 # request to SCWRL produces command: ulimit -t 79 ; scwrl3 -i /var/tmp/to_scwrl_1627880238.pdb -s /var/tmp/to_scwrl_1627880238.seq -o /var/tmp/from_scwrl_1627880238.pdb > /var/tmp/scwrl_1627880238.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1627880238.pdb # conformation set from SCWRL output # 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 16 # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS1 # request to SCWRL produces command: ulimit -t 79 ; scwrl3 -i /var/tmp/to_scwrl_387061027.pdb -s /var/tmp/to_scwrl_387061027.seq -o /var/tmp/from_scwrl_387061027.pdb > /var/tmp/scwrl_387061027.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_387061027.pdb # conformation set from SCWRL output # 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 49 # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS2 # request to SCWRL produces command: ulimit -t 79 ; scwrl3 -i /var/tmp/to_scwrl_431765467.pdb -s /var/tmp/to_scwrl_431765467.seq -o /var/tmp/from_scwrl_431765467.pdb > /var/tmp/scwrl_431765467.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_431765467.pdb # conformation set from SCWRL output # naming current conformation RAPTOR-ACE_TS2-scwrl # ReadConformPDB reading from PDB file servers/RAPTOR-ACE_TS3.pdb.gz looking for model 1 # naming current conformation RAPTOR-ACE_TS3 # request to SCWRL produces command: ulimit -t 79 ; scwrl3 -i /var/tmp/to_scwrl_1665318843.pdb -s /var/tmp/to_scwrl_1665318843.seq -o /var/tmp/from_scwrl_1665318843.pdb > /var/tmp/scwrl_1665318843.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1665318843.pdb # conformation set from SCWRL output # naming current conformation RAPTOR-ACE_TS3-scwrl # ReadConformPDB reading from PDB file servers/RAPTOR-ACE_TS4.pdb.gz looking for model 1 # naming current conformation RAPTOR-ACE_TS4 # request to SCWRL produces command: ulimit -t 79 ; scwrl3 -i /var/tmp/to_scwrl_252785946.pdb -s /var/tmp/to_scwrl_252785946.seq -o /var/tmp/from_scwrl_252785946.pdb > /var/tmp/scwrl_252785946.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_252785946.pdb # conformation set from SCWRL output # 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 59 # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS5 # request to SCWRL produces command: ulimit -t 79 ; scwrl3 -i /var/tmp/to_scwrl_982246924.pdb -s /var/tmp/to_scwrl_982246924.seq -o /var/tmp/from_scwrl_982246924.pdb > /var/tmp/scwrl_982246924.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_982246924.pdb # conformation set from SCWRL output # 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 84 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS1 # request to SCWRL produces command: ulimit -t 79 ; scwrl3 -i /var/tmp/to_scwrl_709759937.pdb -s /var/tmp/to_scwrl_709759937.seq -o /var/tmp/from_scwrl_709759937.pdb > /var/tmp/scwrl_709759937.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_709759937.pdb # conformation set from SCWRL output # 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 83 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS2 # request to SCWRL produces command: ulimit -t 79 ; scwrl3 -i /var/tmp/to_scwrl_1177723202.pdb -s /var/tmp/to_scwrl_1177723202.seq -o /var/tmp/from_scwrl_1177723202.pdb > /var/tmp/scwrl_1177723202.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1177723202.pdb # conformation set from SCWRL output # 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 56 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS3 # request to SCWRL produces command: ulimit -t 79 ; scwrl3 -i /var/tmp/to_scwrl_432043406.pdb -s /var/tmp/to_scwrl_432043406.seq -o /var/tmp/from_scwrl_432043406.pdb > /var/tmp/scwrl_432043406.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_432043406.pdb # conformation set from SCWRL output # 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 63 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS4 # request to SCWRL produces command: ulimit -t 79 ; scwrl3 -i /var/tmp/to_scwrl_1709870433.pdb -s /var/tmp/to_scwrl_1709870433.seq -o /var/tmp/from_scwrl_1709870433.pdb > /var/tmp/scwrl_1709870433.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1709870433.pdb # conformation set from SCWRL output # 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 64 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS5 # request to SCWRL produces command: ulimit -t 79 ; scwrl3 -i /var/tmp/to_scwrl_1767361061.pdb -s /var/tmp/to_scwrl_1767361061.seq -o /var/tmp/from_scwrl_1767361061.pdb > /var/tmp/scwrl_1767361061.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1767361061.pdb # conformation set from SCWRL output # naming current conformation RAPTORESS_TS5-scwrl # ReadConformPDB reading from PDB file servers/RAPTOR_TS1.pdb.gz looking for model 1 # Found a chain break before 23 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS1 # request to SCWRL produces command: ulimit -t 79 ; scwrl3 -i /var/tmp/to_scwrl_1862076991.pdb -s /var/tmp/to_scwrl_1862076991.seq -o /var/tmp/from_scwrl_1862076991.pdb > /var/tmp/scwrl_1862076991.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1862076991.pdb # conformation set from SCWRL output # naming current conformation RAPTOR_TS1-scwrl # ReadConformPDB reading from PDB file servers/RAPTOR_TS2.pdb.gz looking for model 1 # Found a chain break before 24 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS2 # request to SCWRL produces command: ulimit -t 79 ; scwrl3 -i /var/tmp/to_scwrl_696634560.pdb -s /var/tmp/to_scwrl_696634560.seq -o /var/tmp/from_scwrl_696634560.pdb > /var/tmp/scwrl_696634560.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_696634560.pdb # conformation set from SCWRL output # naming current conformation RAPTOR_TS2-scwrl # ReadConformPDB reading from PDB file servers/RAPTOR_TS3.pdb.gz looking for model 1 # naming current conformation RAPTOR_TS3 # request to SCWRL produces command: ulimit -t 79 ; scwrl3 -i /var/tmp/to_scwrl_1502380654.pdb -s /var/tmp/to_scwrl_1502380654.seq -o /var/tmp/from_scwrl_1502380654.pdb > /var/tmp/scwrl_1502380654.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1502380654.pdb # conformation set from SCWRL output # naming current conformation RAPTOR_TS3-scwrl # ReadConformPDB reading from PDB file servers/RAPTOR_TS4.pdb.gz looking for model 1 # naming current conformation RAPTOR_TS4 # request to SCWRL produces command: ulimit -t 79 ; scwrl3 -i /var/tmp/to_scwrl_1264531070.pdb -s /var/tmp/to_scwrl_1264531070.seq -o /var/tmp/from_scwrl_1264531070.pdb > /var/tmp/scwrl_1264531070.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1264531070.pdb # conformation set from SCWRL output # naming current conformation RAPTOR_TS4-scwrl # ReadConformPDB reading from PDB file servers/RAPTOR_TS5.pdb.gz looking for model 1 # naming current conformation RAPTOR_TS5 # request to SCWRL produces command: ulimit -t 79 ; scwrl3 -i /var/tmp/to_scwrl_1992300675.pdb -s /var/tmp/to_scwrl_1992300675.seq -o /var/tmp/from_scwrl_1992300675.pdb > /var/tmp/scwrl_1992300675.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1992300675.pdb # conformation set from SCWRL output # naming current conformation RAPTOR_TS5-scwrl # ReadConformPDB reading from PDB file servers/ROBETTA_TS1.pdb.gz looking for model 1 # naming current conformation ROBETTA_TS1 # request to SCWRL produces command: ulimit -t 79 ; scwrl3 -i /var/tmp/to_scwrl_1484541095.pdb -s /var/tmp/to_scwrl_1484541095.seq -o /var/tmp/from_scwrl_1484541095.pdb > /var/tmp/scwrl_1484541095.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1484541095.pdb # conformation set from SCWRL output # 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 79 ; scwrl3 -i /var/tmp/to_scwrl_680209304.pdb -s /var/tmp/to_scwrl_680209304.seq -o /var/tmp/from_scwrl_680209304.pdb > /var/tmp/scwrl_680209304.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_680209304.pdb # conformation set from SCWRL output # naming current conformation ROBETTA_TS2-scwrl # ReadConformPDB reading from PDB file servers/ROBETTA_TS3.pdb.gz looking for model 1 # naming current conformation ROBETTA_TS3 # request to SCWRL produces command: ulimit -t 79 ; scwrl3 -i /var/tmp/to_scwrl_887999910.pdb -s /var/tmp/to_scwrl_887999910.seq -o /var/tmp/from_scwrl_887999910.pdb > /var/tmp/scwrl_887999910.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_887999910.pdb # conformation set from SCWRL output # naming current conformation ROBETTA_TS3-scwrl # ReadConformPDB reading from PDB file servers/ROBETTA_TS4.pdb.gz looking for model 1 # naming current conformation ROBETTA_TS4 # request to SCWRL produces command: ulimit -t 79 ; scwrl3 -i /var/tmp/to_scwrl_2110024960.pdb -s /var/tmp/to_scwrl_2110024960.seq -o /var/tmp/from_scwrl_2110024960.pdb > /var/tmp/scwrl_2110024960.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2110024960.pdb # conformation set from SCWRL output # naming current conformation ROBETTA_TS4-scwrl # ReadConformPDB reading from PDB file servers/ROBETTA_TS5.pdb.gz looking for model 1 # naming current conformation ROBETTA_TS5 # request to SCWRL produces command: ulimit -t 79 ; scwrl3 -i /var/tmp/to_scwrl_2103088096.pdb -s /var/tmp/to_scwrl_2103088096.seq -o /var/tmp/from_scwrl_2103088096.pdb > /var/tmp/scwrl_2103088096.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2103088096.pdb # conformation set from SCWRL output # naming current conformation ROBETTA_TS5-scwrl # ReadConformPDB reading from PDB file servers/ROKKY_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0358 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation ROKKY_TS1 # request to SCWRL produces command: ulimit -t 79 ; scwrl3 -i /var/tmp/to_scwrl_1488641929.pdb -s /var/tmp/to_scwrl_1488641929.seq -o /var/tmp/from_scwrl_1488641929.pdb > /var/tmp/scwrl_1488641929.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1488641929.pdb # conformation set from SCWRL output # naming current conformation ROKKY_TS1-scwrl # ReadConformPDB reading from PDB file servers/ROKKY_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0358 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation ROKKY_TS2 # request to SCWRL produces command: ulimit -t 79 ; scwrl3 -i /var/tmp/to_scwrl_804346327.pdb -s /var/tmp/to_scwrl_804346327.seq -o /var/tmp/from_scwrl_804346327.pdb > /var/tmp/scwrl_804346327.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_804346327.pdb # conformation set from SCWRL output # naming current conformation ROKKY_TS2-scwrl # ReadConformPDB reading from PDB file servers/ROKKY_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0358 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation ROKKY_TS3 # request to SCWRL produces command: ulimit -t 79 ; scwrl3 -i /var/tmp/to_scwrl_1194779319.pdb -s /var/tmp/to_scwrl_1194779319.seq -o /var/tmp/from_scwrl_1194779319.pdb > /var/tmp/scwrl_1194779319.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1194779319.pdb # conformation set from SCWRL output # naming current conformation ROKKY_TS3-scwrl # ReadConformPDB reading from PDB file servers/ROKKY_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0358 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation ROKKY_TS4 # request to SCWRL produces command: ulimit -t 79 ; scwrl3 -i /var/tmp/to_scwrl_1557307992.pdb -s /var/tmp/to_scwrl_1557307992.seq -o /var/tmp/from_scwrl_1557307992.pdb > /var/tmp/scwrl_1557307992.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1557307992.pdb # conformation set from SCWRL output # naming current conformation ROKKY_TS4-scwrl # ReadConformPDB reading from PDB file servers/ROKKY_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0358 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation ROKKY_TS5 # request to SCWRL produces command: ulimit -t 79 ; scwrl3 -i /var/tmp/to_scwrl_857849336.pdb -s /var/tmp/to_scwrl_857849336.seq -o /var/tmp/from_scwrl_857849336.pdb > /var/tmp/scwrl_857849336.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_857849336.pdb # conformation set from SCWRL output # naming current conformation ROKKY_TS5-scwrl # ReadConformPDB reading from PDB file servers/SAM-T02_AL1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0358 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL1 # request to SCWRL produces command: ulimit -t 79 ; scwrl3 -i /var/tmp/to_scwrl_615346724.pdb -s /var/tmp/to_scwrl_615346724.seq -o /var/tmp/from_scwrl_615346724.pdb > /var/tmp/scwrl_615346724.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_615346724.pdb # conformation set from SCWRL output # 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 T0358 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL2 # request to SCWRL produces command: ulimit -t 79 ; scwrl3 -i /var/tmp/to_scwrl_1592631143.pdb -s /var/tmp/to_scwrl_1592631143.seq -o /var/tmp/from_scwrl_1592631143.pdb > /var/tmp/scwrl_1592631143.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1592631143.pdb # conformation set from SCWRL output # 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 T0358 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL3 # request to SCWRL produces command: ulimit -t 79 ; scwrl3 -i /var/tmp/to_scwrl_1555365155.pdb -s /var/tmp/to_scwrl_1555365155.seq -o /var/tmp/from_scwrl_1555365155.pdb > /var/tmp/scwrl_1555365155.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1555365155.pdb # conformation set from SCWRL output # 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 T0358 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL4 # request to SCWRL produces command: ulimit -t 79 ; scwrl3 -i /var/tmp/to_scwrl_1519249529.pdb -s /var/tmp/to_scwrl_1519249529.seq -o /var/tmp/from_scwrl_1519249529.pdb > /var/tmp/scwrl_1519249529.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1519249529.pdb # conformation set from SCWRL output # naming current conformation SAM-T02_AL4-scwrl # ReadConformPDB reading from PDB file servers/SAM-T02_AL5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0358 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation SAM-T02_AL5 # request to SCWRL produces command: ulimit -t 79 ; scwrl3 -i /var/tmp/to_scwrl_654868581.pdb -s /var/tmp/to_scwrl_654868581.seq -o /var/tmp/from_scwrl_654868581.pdb > /var/tmp/scwrl_654868581.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_654868581.pdb # conformation set from SCWRL output # naming current conformation SAM-T02_AL5-scwrl # ReadConformPDB reading from PDB file servers/SAM_T06_server_TS1.pdb.gz looking for model 1 # Found a chain break before 73 # copying to AlignedFragments data structure # naming current conformation SAM_T06_server_TS1 # request to SCWRL produces command: ulimit -t 79 ; scwrl3 -i /var/tmp/to_scwrl_1035761748.pdb -s /var/tmp/to_scwrl_1035761748.seq -o /var/tmp/from_scwrl_1035761748.pdb > /var/tmp/scwrl_1035761748.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1035761748.pdb # conformation set from SCWRL output # 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 T0358 can't currently be optimized by undertaker # naming current conformation SAM_T06_server_TS2 # request to SCWRL produces command: ulimit -t 79 ; scwrl3 -i /var/tmp/to_scwrl_1906310556.pdb -s /var/tmp/to_scwrl_1906310556.seq -o /var/tmp/from_scwrl_1906310556.pdb > /var/tmp/scwrl_1906310556.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1906310556.pdb # conformation set from SCWRL output # 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 T0358 can't currently be optimized by undertaker # naming current conformation SAM_T06_server_TS3 # request to SCWRL produces command: ulimit -t 79 ; scwrl3 -i /var/tmp/to_scwrl_1086634047.pdb -s /var/tmp/to_scwrl_1086634047.seq -o /var/tmp/from_scwrl_1086634047.pdb > /var/tmp/scwrl_1086634047.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1086634047.pdb # conformation set from SCWRL output # 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 T0358 can't currently be optimized by undertaker # naming current conformation SAM_T06_server_TS4 # request to SCWRL produces command: ulimit -t 79 ; scwrl3 -i /var/tmp/to_scwrl_553596944.pdb -s /var/tmp/to_scwrl_553596944.seq -o /var/tmp/from_scwrl_553596944.pdb > /var/tmp/scwrl_553596944.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_553596944.pdb # conformation set from SCWRL output # 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 T0358 can't currently be optimized by undertaker # naming current conformation SAM_T06_server_TS5 # request to SCWRL produces command: ulimit -t 79 ; scwrl3 -i /var/tmp/to_scwrl_11612855.pdb -s /var/tmp/to_scwrl_11612855.seq -o /var/tmp/from_scwrl_11612855.pdb > /var/tmp/scwrl_11612855.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_11612855.pdb # conformation set from SCWRL output # naming current conformation SAM_T06_server_TS5-scwrl # ReadConformPDB reading from PDB file servers/SP3_TS1.pdb.gz looking for model 1 # Found a chain break before 60 # copying to AlignedFragments data structure # naming current conformation SP3_TS1 # request to SCWRL produces command: ulimit -t 79 ; scwrl3 -i /var/tmp/to_scwrl_2068880971.pdb -s /var/tmp/to_scwrl_2068880971.seq -o /var/tmp/from_scwrl_2068880971.pdb > /var/tmp/scwrl_2068880971.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2068880971.pdb # conformation set from SCWRL output # naming current conformation SP3_TS1-scwrl # ReadConformPDB reading from PDB file servers/SP3_TS2.pdb.gz looking for model 1 # naming current conformation SP3_TS2 # request to SCWRL produces command: ulimit -t 79 ; scwrl3 -i /var/tmp/to_scwrl_1263356880.pdb -s /var/tmp/to_scwrl_1263356880.seq -o /var/tmp/from_scwrl_1263356880.pdb > /var/tmp/scwrl_1263356880.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1263356880.pdb # conformation set from SCWRL output # naming current conformation SP3_TS2-scwrl # ReadConformPDB reading from PDB file servers/SP3_TS3.pdb.gz looking for model 1 # naming current conformation SP3_TS3 # request to SCWRL produces command: ulimit -t 79 ; scwrl3 -i /var/tmp/to_scwrl_1189336058.pdb -s /var/tmp/to_scwrl_1189336058.seq -o /var/tmp/from_scwrl_1189336058.pdb > /var/tmp/scwrl_1189336058.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1189336058.pdb # conformation set from SCWRL output # 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 62 # copying to AlignedFragments data structure # naming current conformation SP3_TS4 # request to SCWRL produces command: ulimit -t 79 ; scwrl3 -i /var/tmp/to_scwrl_353440730.pdb -s /var/tmp/to_scwrl_353440730.seq -o /var/tmp/from_scwrl_353440730.pdb > /var/tmp/scwrl_353440730.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_353440730.pdb # conformation set from SCWRL output # naming current conformation SP3_TS4-scwrl # ReadConformPDB reading from PDB file servers/SP3_TS5.pdb.gz looking for model 1 # naming current conformation SP3_TS5 # request to SCWRL produces command: ulimit -t 79 ; scwrl3 -i /var/tmp/to_scwrl_825743668.pdb -s /var/tmp/to_scwrl_825743668.seq -o /var/tmp/from_scwrl_825743668.pdb > /var/tmp/scwrl_825743668.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_825743668.pdb # conformation set from SCWRL output # naming current conformation SP3_TS5-scwrl # ReadConformPDB reading from PDB file servers/SP4_TS1.pdb.gz looking for model 1 # Found a chain break before 58 # copying to AlignedFragments data structure # naming current conformation SP4_TS1 # request to SCWRL produces command: ulimit -t 79 ; scwrl3 -i /var/tmp/to_scwrl_809213473.pdb -s /var/tmp/to_scwrl_809213473.seq -o /var/tmp/from_scwrl_809213473.pdb > /var/tmp/scwrl_809213473.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_809213473.pdb # conformation set from SCWRL output # 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 79 ; scwrl3 -i /var/tmp/to_scwrl_68034074.pdb -s /var/tmp/to_scwrl_68034074.seq -o /var/tmp/from_scwrl_68034074.pdb > /var/tmp/scwrl_68034074.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_68034074.pdb # conformation set from SCWRL output # 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 18 # copying to AlignedFragments data structure # naming current conformation SP4_TS3 # request to SCWRL produces command: ulimit -t 79 ; scwrl3 -i /var/tmp/to_scwrl_1522378227.pdb -s /var/tmp/to_scwrl_1522378227.seq -o /var/tmp/from_scwrl_1522378227.pdb > /var/tmp/scwrl_1522378227.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1522378227.pdb # conformation set from SCWRL output # naming current conformation SP4_TS3-scwrl # ReadConformPDB reading from PDB file servers/SP4_TS4.pdb.gz looking for model 1 # naming current conformation SP4_TS4 # request to SCWRL produces command: ulimit -t 79 ; scwrl3 -i /var/tmp/to_scwrl_164110480.pdb -s /var/tmp/to_scwrl_164110480.seq -o /var/tmp/from_scwrl_164110480.pdb > /var/tmp/scwrl_164110480.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_164110480.pdb # conformation set from SCWRL output # naming current conformation SP4_TS4-scwrl # ReadConformPDB reading from PDB file servers/SP4_TS5.pdb.gz looking for model 1 # Found a chain break before 39 # copying to AlignedFragments data structure # naming current conformation SP4_TS5 # request to SCWRL produces command: ulimit -t 79 ; scwrl3 -i /var/tmp/to_scwrl_1332565144.pdb -s /var/tmp/to_scwrl_1332565144.seq -o /var/tmp/from_scwrl_1332565144.pdb > /var/tmp/scwrl_1332565144.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1332565144.pdb # conformation set from SCWRL output # naming current conformation SP4_TS5-scwrl # ReadConformPDB reading from PDB file servers/SPARKS2_TS1.pdb.gz looking for model 1 # naming current conformation SPARKS2_TS1 # request to SCWRL produces command: ulimit -t 79 ; scwrl3 -i /var/tmp/to_scwrl_1367195255.pdb -s /var/tmp/to_scwrl_1367195255.seq -o /var/tmp/from_scwrl_1367195255.pdb > /var/tmp/scwrl_1367195255.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1367195255.pdb # conformation set from SCWRL output # 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 9 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS2 # request to SCWRL produces command: ulimit -t 79 ; scwrl3 -i /var/tmp/to_scwrl_1648651575.pdb -s /var/tmp/to_scwrl_1648651575.seq -o /var/tmp/from_scwrl_1648651575.pdb > /var/tmp/scwrl_1648651575.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1648651575.pdb # conformation set from SCWRL output # 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 55 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS3 # request to SCWRL produces command: ulimit -t 79 ; scwrl3 -i /var/tmp/to_scwrl_2012774448.pdb -s /var/tmp/to_scwrl_2012774448.seq -o /var/tmp/from_scwrl_2012774448.pdb > /var/tmp/scwrl_2012774448.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2012774448.pdb # conformation set from SCWRL output # 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 7 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS4 # request to SCWRL produces command: ulimit -t 79 ; scwrl3 -i /var/tmp/to_scwrl_107711518.pdb -s /var/tmp/to_scwrl_107711518.seq -o /var/tmp/from_scwrl_107711518.pdb > /var/tmp/scwrl_107711518.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_107711518.pdb # conformation set from SCWRL output # 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 34 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS5 # request to SCWRL produces command: ulimit -t 79 ; scwrl3 -i /var/tmp/to_scwrl_1611192888.pdb -s /var/tmp/to_scwrl_1611192888.seq -o /var/tmp/from_scwrl_1611192888.pdb > /var/tmp/scwrl_1611192888.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1611192888.pdb # conformation set from SCWRL output # 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 T0358 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS1 # request to SCWRL produces command: ulimit -t 79 ; scwrl3 -i /var/tmp/to_scwrl_1968378897.pdb -s /var/tmp/to_scwrl_1968378897.seq -o /var/tmp/from_scwrl_1968378897.pdb > /var/tmp/scwrl_1968378897.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1968378897.pdb # conformation set from SCWRL output # naming current conformation UNI-EID_bnmx_TS1-scwrl # ReadConformPDB reading from PDB file servers/UNI-EID_bnmx_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0358 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS2 # request to SCWRL produces command: ulimit -t 79 ; scwrl3 -i /var/tmp/to_scwrl_1596353447.pdb -s /var/tmp/to_scwrl_1596353447.seq -o /var/tmp/from_scwrl_1596353447.pdb > /var/tmp/scwrl_1596353447.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1596353447.pdb # conformation set from SCWRL output # naming current conformation UNI-EID_bnmx_TS2-scwrl # ReadConformPDB reading from PDB file servers/UNI-EID_bnmx_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0358 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS3 # request to SCWRL produces command: ulimit -t 79 ; scwrl3 -i /var/tmp/to_scwrl_268055568.pdb -s /var/tmp/to_scwrl_268055568.seq -o /var/tmp/from_scwrl_268055568.pdb > /var/tmp/scwrl_268055568.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_268055568.pdb # conformation set from SCWRL output # naming current conformation UNI-EID_bnmx_TS3-scwrl # ReadConformPDB reading from PDB file servers/UNI-EID_bnmx_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0358 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS4 # request to SCWRL produces command: ulimit -t 79 ; scwrl3 -i /var/tmp/to_scwrl_1015674570.pdb -s /var/tmp/to_scwrl_1015674570.seq -o /var/tmp/from_scwrl_1015674570.pdb > /var/tmp/scwrl_1015674570.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1015674570.pdb # conformation set from SCWRL output # naming current conformation UNI-EID_bnmx_TS4-scwrl # ReadConformPDB reading from PDB file servers/UNI-EID_bnmx_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0358 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS5 # request to SCWRL produces command: ulimit -t 79 ; scwrl3 -i /var/tmp/to_scwrl_1006177793.pdb -s /var/tmp/to_scwrl_1006177793.seq -o /var/tmp/from_scwrl_1006177793.pdb > /var/tmp/scwrl_1006177793.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1006177793.pdb # conformation set from SCWRL output # naming current conformation UNI-EID_bnmx_TS5-scwrl # ReadConformPDB reading from PDB file servers/UNI-EID_expm_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0358 can't currently be optimized by undertaker # naming current conformation UNI-EID_expm_TS1 # request to SCWRL produces command: ulimit -t 79 ; scwrl3 -i /var/tmp/to_scwrl_1125904903.pdb -s /var/tmp/to_scwrl_1125904903.seq -o /var/tmp/from_scwrl_1125904903.pdb > /var/tmp/scwrl_1125904903.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1125904903.pdb # conformation set from SCWRL output # 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 T0358 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL1 # request to SCWRL produces command: ulimit -t 79 ; scwrl3 -i /var/tmp/to_scwrl_1631021294.pdb -s /var/tmp/to_scwrl_1631021294.seq -o /var/tmp/from_scwrl_1631021294.pdb > /var/tmp/scwrl_1631021294.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1631021294.pdb # conformation set from SCWRL output # naming current conformation UNI-EID_sfst_AL1-scwrl # ReadConformPDB reading from PDB file servers/UNI-EID_sfst_AL2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0358 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL2 # request to SCWRL produces command: ulimit -t 79 ; scwrl3 -i /var/tmp/to_scwrl_451325290.pdb -s /var/tmp/to_scwrl_451325290.seq -o /var/tmp/from_scwrl_451325290.pdb > /var/tmp/scwrl_451325290.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_451325290.pdb # conformation set from SCWRL output # naming current conformation UNI-EID_sfst_AL2-scwrl # ReadConformPDB reading from PDB file servers/UNI-EID_sfst_AL3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0358 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL3 # request to SCWRL produces command: ulimit -t 79 ; scwrl3 -i /var/tmp/to_scwrl_533786413.pdb -s /var/tmp/to_scwrl_533786413.seq -o /var/tmp/from_scwrl_533786413.pdb > /var/tmp/scwrl_533786413.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_533786413.pdb # conformation set from SCWRL output # naming current conformation UNI-EID_sfst_AL3-scwrl # ReadConformPDB reading from PDB file servers/UNI-EID_sfst_AL4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0358 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL4 # request to SCWRL produces command: ulimit -t 79 ; scwrl3 -i /var/tmp/to_scwrl_1002787177.pdb -s /var/tmp/to_scwrl_1002787177.seq -o /var/tmp/from_scwrl_1002787177.pdb > /var/tmp/scwrl_1002787177.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1002787177.pdb # conformation set from SCWRL output # naming current conformation UNI-EID_sfst_AL4-scwrl # ReadConformPDB reading from PDB file servers/UNI-EID_sfst_AL5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0358 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL5 # request to SCWRL produces command: ulimit -t 79 ; scwrl3 -i /var/tmp/to_scwrl_1106193870.pdb -s /var/tmp/to_scwrl_1106193870.seq -o /var/tmp/from_scwrl_1106193870.pdb > /var/tmp/scwrl_1106193870.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1106193870.pdb # conformation set from SCWRL output # naming current conformation UNI-EID_sfst_AL5-scwrl # ReadConformPDB reading from PDB file servers/Zhang-Server_TS1.pdb.gz looking for model 1 # Found a chain break before 56 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS1 # request to SCWRL produces command: ulimit -t 79 ; scwrl3 -i /var/tmp/to_scwrl_1569548160.pdb -s /var/tmp/to_scwrl_1569548160.seq -o /var/tmp/from_scwrl_1569548160.pdb > /var/tmp/scwrl_1569548160.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1569548160.pdb # conformation set from SCWRL output # 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 58 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS2 # request to SCWRL produces command: ulimit -t 79 ; scwrl3 -i /var/tmp/to_scwrl_761614087.pdb -s /var/tmp/to_scwrl_761614087.seq -o /var/tmp/from_scwrl_761614087.pdb > /var/tmp/scwrl_761614087.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_761614087.pdb # conformation set from SCWRL output # 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 83 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS3 # request to SCWRL produces command: ulimit -t 79 ; scwrl3 -i /var/tmp/to_scwrl_45344272.pdb -s /var/tmp/to_scwrl_45344272.seq -o /var/tmp/from_scwrl_45344272.pdb > /var/tmp/scwrl_45344272.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_45344272.pdb # conformation set from SCWRL output # 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 75 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS4 # request to SCWRL produces command: ulimit -t 79 ; scwrl3 -i /var/tmp/to_scwrl_2123145104.pdb -s /var/tmp/to_scwrl_2123145104.seq -o /var/tmp/from_scwrl_2123145104.pdb > /var/tmp/scwrl_2123145104.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2123145104.pdb # conformation set from SCWRL output # 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 54 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS5 # request to SCWRL produces command: ulimit -t 79 ; scwrl3 -i /var/tmp/to_scwrl_773226942.pdb -s /var/tmp/to_scwrl_773226942.seq -o /var/tmp/from_scwrl_773226942.pdb > /var/tmp/scwrl_773226942.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_773226942.pdb # conformation set from SCWRL output # naming current conformation Zhang-Server_TS5-scwrl # ReadConformPDB reading from PDB file servers/beautshot_TS1.pdb.gz looking for model 1 # Found a chain break before 85 # copying to AlignedFragments data structure # naming current conformation beautshot_TS1 # request to SCWRL produces command: ulimit -t 79 ; scwrl3 -i /var/tmp/to_scwrl_2114225243.pdb -s /var/tmp/to_scwrl_2114225243.seq -o /var/tmp/from_scwrl_2114225243.pdb > /var/tmp/scwrl_2114225243.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2114225243.pdb # conformation set from SCWRL output # naming current conformation beautshot_TS1-scwrl # ReadConformPDB reading from PDB file servers/beautshotbase_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0358 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation beautshotbase_TS1 # request to SCWRL produces command: ulimit -t 79 ; scwrl3 -i /var/tmp/to_scwrl_1239018337.pdb -s /var/tmp/to_scwrl_1239018337.seq -o /var/tmp/from_scwrl_1239018337.pdb > /var/tmp/scwrl_1239018337.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1239018337.pdb # conformation set from SCWRL output # naming current conformation beautshotbase_TS1-scwrl # ReadConformPDB reading from PDB file servers/forecast-s_AL1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0358 can't currently be optimized by undertaker # naming current conformation forecast-s_AL1 # request to SCWRL produces command: ulimit -t 79 ; scwrl3 -i /var/tmp/to_scwrl_1962563000.pdb -s /var/tmp/to_scwrl_1962563000.seq -o /var/tmp/from_scwrl_1962563000.pdb > /var/tmp/scwrl_1962563000.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1962563000.pdb # conformation set from SCWRL output # naming current conformation forecast-s_AL1-scwrl # ReadConformPDB reading from PDB file servers/forecast-s_AL2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0358 can't currently be optimized by undertaker # naming current conformation forecast-s_AL2 # request to SCWRL produces command: ulimit -t 79 ; scwrl3 -i /var/tmp/to_scwrl_320182327.pdb -s /var/tmp/to_scwrl_320182327.seq -o /var/tmp/from_scwrl_320182327.pdb > /var/tmp/scwrl_320182327.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_320182327.pdb # conformation set from SCWRL output # 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 T0358 can't currently be optimized by undertaker # naming current conformation forecast-s_AL3 # request to SCWRL produces command: ulimit -t 79 ; scwrl3 -i /var/tmp/to_scwrl_2064762005.pdb -s /var/tmp/to_scwrl_2064762005.seq -o /var/tmp/from_scwrl_2064762005.pdb > /var/tmp/scwrl_2064762005.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2064762005.pdb # conformation set from SCWRL output # 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 T0358 can't currently be optimized by undertaker # naming current conformation forecast-s_AL4 # request to SCWRL produces command: ulimit -t 79 ; scwrl3 -i /var/tmp/to_scwrl_624292826.pdb -s /var/tmp/to_scwrl_624292826.seq -o /var/tmp/from_scwrl_624292826.pdb > /var/tmp/scwrl_624292826.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_624292826.pdb # conformation set from SCWRL output # 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 T0358 can't currently be optimized by undertaker # naming current conformation forecast-s_AL5 # request to SCWRL produces command: ulimit -t 79 ; scwrl3 -i /var/tmp/to_scwrl_388216401.pdb -s /var/tmp/to_scwrl_388216401.seq -o /var/tmp/from_scwrl_388216401.pdb > /var/tmp/scwrl_388216401.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_388216401.pdb # conformation set from SCWRL output # naming current conformation forecast-s_AL5-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv.2_TS1.pdb.gz looking for model 1 # Found a chain break before 70 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS1 # request to SCWRL produces command: ulimit -t 79 ; scwrl3 -i /var/tmp/to_scwrl_1439656585.pdb -s /var/tmp/to_scwrl_1439656585.seq -o /var/tmp/from_scwrl_1439656585.pdb > /var/tmp/scwrl_1439656585.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1439656585.pdb # conformation set from SCWRL output # naming current conformation karypis.srv.2_TS1-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv.2_TS2.pdb.gz looking for model 1 # naming current conformation karypis.srv.2_TS2 # request to SCWRL produces command: ulimit -t 79 ; scwrl3 -i /var/tmp/to_scwrl_788403306.pdb -s /var/tmp/to_scwrl_788403306.seq -o /var/tmp/from_scwrl_788403306.pdb > /var/tmp/scwrl_788403306.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_788403306.pdb # conformation set from SCWRL output # naming current conformation karypis.srv.2_TS2-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv.2_TS3.pdb.gz looking for model 1 # naming current conformation karypis.srv.2_TS3 # request to SCWRL produces command: ulimit -t 79 ; scwrl3 -i /var/tmp/to_scwrl_1720781546.pdb -s /var/tmp/to_scwrl_1720781546.seq -o /var/tmp/from_scwrl_1720781546.pdb > /var/tmp/scwrl_1720781546.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1720781546.pdb # conformation set from SCWRL output # naming current conformation karypis.srv.2_TS3-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv.2_TS4.pdb.gz looking for model 1 # naming current conformation karypis.srv.2_TS4 # request to SCWRL produces command: ulimit -t 79 ; scwrl3 -i /var/tmp/to_scwrl_659368194.pdb -s /var/tmp/to_scwrl_659368194.seq -o /var/tmp/from_scwrl_659368194.pdb > /var/tmp/scwrl_659368194.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_659368194.pdb # conformation set from SCWRL output # naming current conformation karypis.srv.2_TS4-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv.2_TS5.pdb.gz looking for model 1 # naming current conformation karypis.srv.2_TS5 # request to SCWRL produces command: ulimit -t 79 ; scwrl3 -i /var/tmp/to_scwrl_289571234.pdb -s /var/tmp/to_scwrl_289571234.seq -o /var/tmp/from_scwrl_289571234.pdb > /var/tmp/scwrl_289571234.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_289571234.pdb # conformation set from SCWRL output # 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 84 # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS1 # request to SCWRL produces command: ulimit -t 79 ; scwrl3 -i /var/tmp/to_scwrl_1586072347.pdb -s /var/tmp/to_scwrl_1586072347.seq -o /var/tmp/from_scwrl_1586072347.pdb > /var/tmp/scwrl_1586072347.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1586072347.pdb # conformation set from SCWRL output # 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 84 # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS2 # request to SCWRL produces command: ulimit -t 79 ; scwrl3 -i /var/tmp/to_scwrl_767079712.pdb -s /var/tmp/to_scwrl_767079712.seq -o /var/tmp/from_scwrl_767079712.pdb > /var/tmp/scwrl_767079712.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_767079712.pdb # conformation set from SCWRL output # 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: (T0358)L6.O and (T0358)L7.N only 0.000 apart, marking (T0358)L7.N as missing # WARNING: incomplete conformation T0358 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 79 ; scwrl3 -i /var/tmp/to_scwrl_1900764122.pdb -s /var/tmp/to_scwrl_1900764122.seq -o /var/tmp/from_scwrl_1900764122.pdb > /var/tmp/scwrl_1900764122.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1900764122.pdb # conformation set from SCWRL output # naming current conformation karypis.srv.4_TS3-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv.4_TS4.pdb.gz looking for model 1 # Found a chain break before 84 # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS4 # request to SCWRL produces command: ulimit -t 79 ; scwrl3 -i /var/tmp/to_scwrl_1406967598.pdb -s /var/tmp/to_scwrl_1406967598.seq -o /var/tmp/from_scwrl_1406967598.pdb > /var/tmp/scwrl_1406967598.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1406967598.pdb # conformation set from SCWRL output # 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 84 # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS5 # request to SCWRL produces command: ulimit -t 79 ; scwrl3 -i /var/tmp/to_scwrl_215949512.pdb -s /var/tmp/to_scwrl_215949512.seq -o /var/tmp/from_scwrl_215949512.pdb > /var/tmp/scwrl_215949512.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_215949512.pdb # conformation set from SCWRL output # naming current conformation karypis.srv.4_TS5-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv_TS1.pdb.gz looking for model 1 # naming current conformation karypis.srv_TS1 # request to SCWRL produces command: ulimit -t 79 ; scwrl3 -i /var/tmp/to_scwrl_21336043.pdb -s /var/tmp/to_scwrl_21336043.seq -o /var/tmp/from_scwrl_21336043.pdb > /var/tmp/scwrl_21336043.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_21336043.pdb # conformation set from SCWRL output # naming current conformation karypis.srv_TS1-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv_TS2.pdb.gz looking for model 1 # Found a chain break before 29 # copying to AlignedFragments data structure # naming current conformation karypis.srv_TS2 # request to SCWRL produces command: ulimit -t 79 ; scwrl3 -i /var/tmp/to_scwrl_275158521.pdb -s /var/tmp/to_scwrl_275158521.seq -o /var/tmp/from_scwrl_275158521.pdb > /var/tmp/scwrl_275158521.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_275158521.pdb # conformation set from SCWRL output # naming current conformation karypis.srv_TS2-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0358 can't currently be optimized by undertaker # naming current conformation karypis.srv_TS3 # request to SCWRL produces command: ulimit -t 79 ; scwrl3 -i /var/tmp/to_scwrl_1222127305.pdb -s /var/tmp/to_scwrl_1222127305.seq -o /var/tmp/from_scwrl_1222127305.pdb > /var/tmp/scwrl_1222127305.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1222127305.pdb # conformation set from SCWRL output # 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 T0358 can't currently be optimized by undertaker # naming current conformation karypis.srv_TS4 # request to SCWRL produces command: ulimit -t 79 ; scwrl3 -i /var/tmp/to_scwrl_1147240947.pdb -s /var/tmp/to_scwrl_1147240947.seq -o /var/tmp/from_scwrl_1147240947.pdb > /var/tmp/scwrl_1147240947.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1147240947.pdb # conformation set from SCWRL output # 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 T0358 can't currently be optimized by undertaker # naming current conformation karypis.srv_TS5 # request to SCWRL produces command: ulimit -t 79 ; scwrl3 -i /var/tmp/to_scwrl_1906179815.pdb -s /var/tmp/to_scwrl_1906179815.seq -o /var/tmp/from_scwrl_1906179815.pdb > /var/tmp/scwrl_1906179815.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1906179815.pdb # conformation set from SCWRL output # naming current conformation karypis.srv_TS5-scwrl # ReadConformPDB reading from PDB file servers/keasar-server_TS1.pdb.gz looking for model 1 # naming current conformation keasar-server_TS1 # request to SCWRL produces command: ulimit -t 79 ; scwrl3 -i /var/tmp/to_scwrl_1673452595.pdb -s /var/tmp/to_scwrl_1673452595.seq -o /var/tmp/from_scwrl_1673452595.pdb > /var/tmp/scwrl_1673452595.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1673452595.pdb # conformation set from SCWRL output # naming current conformation keasar-server_TS1-scwrl # ReadConformPDB reading from PDB file servers/keasar-server_TS2.pdb.gz looking for model 1 # naming current conformation keasar-server_TS2 # request to SCWRL produces command: ulimit -t 79 ; scwrl3 -i /var/tmp/to_scwrl_1681027360.pdb -s /var/tmp/to_scwrl_1681027360.seq -o /var/tmp/from_scwrl_1681027360.pdb > /var/tmp/scwrl_1681027360.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1681027360.pdb # conformation set from SCWRL output # 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 38 # copying to AlignedFragments data structure # naming current conformation keasar-server_TS3 # request to SCWRL produces command: ulimit -t 79 ; scwrl3 -i /var/tmp/to_scwrl_761483346.pdb -s /var/tmp/to_scwrl_761483346.seq -o /var/tmp/from_scwrl_761483346.pdb > /var/tmp/scwrl_761483346.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_761483346.pdb # conformation set from SCWRL output # 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 37 # copying to AlignedFragments data structure # naming current conformation keasar-server_TS4 # request to SCWRL produces command: ulimit -t 79 ; scwrl3 -i /var/tmp/to_scwrl_632162819.pdb -s /var/tmp/to_scwrl_632162819.seq -o /var/tmp/from_scwrl_632162819.pdb > /var/tmp/scwrl_632162819.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_632162819.pdb # conformation set from SCWRL output # 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 37 # copying to AlignedFragments data structure # naming current conformation keasar-server_TS5 # request to SCWRL produces command: ulimit -t 79 ; scwrl3 -i /var/tmp/to_scwrl_1103091873.pdb -s /var/tmp/to_scwrl_1103091873.seq -o /var/tmp/from_scwrl_1103091873.pdb > /var/tmp/scwrl_1103091873.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1103091873.pdb # conformation set from SCWRL output # 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 T0358 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation mGen-3D_TS1 # request to SCWRL produces command: ulimit -t 79 ; scwrl3 -i /var/tmp/to_scwrl_1523097432.pdb -s /var/tmp/to_scwrl_1523097432.seq -o /var/tmp/from_scwrl_1523097432.pdb > /var/tmp/scwrl_1523097432.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1523097432.pdb # conformation set from SCWRL output # naming current conformation mGen-3D_TS1-scwrl # ReadConformPDB reading from PDB file servers/nFOLD_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0358 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation nFOLD_TS1 # request to SCWRL produces command: ulimit -t 79 ; scwrl3 -i /var/tmp/to_scwrl_677507091.pdb -s /var/tmp/to_scwrl_677507091.seq -o /var/tmp/from_scwrl_677507091.pdb > /var/tmp/scwrl_677507091.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_677507091.pdb # conformation set from SCWRL output # naming current conformation nFOLD_TS1-scwrl # ReadConformPDB reading from PDB file servers/nFOLD_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0358 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation nFOLD_TS2 # request to SCWRL produces command: ulimit -t 79 ; scwrl3 -i /var/tmp/to_scwrl_1078753330.pdb -s /var/tmp/to_scwrl_1078753330.seq -o /var/tmp/from_scwrl_1078753330.pdb > /var/tmp/scwrl_1078753330.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1078753330.pdb # conformation set from SCWRL output # naming current conformation nFOLD_TS2-scwrl # ReadConformPDB reading from PDB file servers/nFOLD_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0358 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation nFOLD_TS3 # request to SCWRL produces command: ulimit -t 79 ; scwrl3 -i /var/tmp/to_scwrl_148840727.pdb -s /var/tmp/to_scwrl_148840727.seq -o /var/tmp/from_scwrl_148840727.pdb > /var/tmp/scwrl_148840727.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_148840727.pdb # conformation set from SCWRL output # naming current conformation nFOLD_TS3-scwrl # ReadConformPDB reading from PDB file servers/nFOLD_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0358 can't currently be optimized by undertaker # naming current conformation nFOLD_TS4 # request to SCWRL produces command: ulimit -t 79 ; scwrl3 -i /var/tmp/to_scwrl_644248688.pdb -s /var/tmp/to_scwrl_644248688.seq -o /var/tmp/from_scwrl_644248688.pdb > /var/tmp/scwrl_644248688.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_644248688.pdb # conformation set from SCWRL output # naming current conformation nFOLD_TS4-scwrl # ReadConformPDB reading from PDB file servers/nFOLD_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0358 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation nFOLD_TS5 # request to SCWRL produces command: ulimit -t 79 ; scwrl3 -i /var/tmp/to_scwrl_170288021.pdb -s /var/tmp/to_scwrl_170288021.seq -o /var/tmp/from_scwrl_170288021.pdb > /var/tmp/scwrl_170288021.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_170288021.pdb # conformation set from SCWRL output # naming current conformation nFOLD_TS5-scwrl # ReadConformPDB reading from PDB file servers/panther2_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0358 can't currently be optimized by undertaker # naming current conformation panther2_TS1 # request to SCWRL produces command: ulimit -t 79 ; scwrl3 -i /var/tmp/to_scwrl_2111403728.pdb -s /var/tmp/to_scwrl_2111403728.seq -o /var/tmp/from_scwrl_2111403728.pdb > /var/tmp/scwrl_2111403728.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2111403728.pdb # conformation set from SCWRL output # naming current conformation panther2_TS1-scwrl # ReadConformPDB reading from PDB file servers/shub_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0358 can't currently be optimized by undertaker # naming current conformation shub_TS1 # request to SCWRL produces command: ulimit -t 79 ; scwrl3 -i /var/tmp/to_scwrl_964431015.pdb -s /var/tmp/to_scwrl_964431015.seq -o /var/tmp/from_scwrl_964431015.pdb > /var/tmp/scwrl_964431015.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_964431015.pdb # conformation set from SCWRL output # naming current conformation shub_TS1-scwrl # command:CPU_time= 41.196 sec, elapsed time= 375.554 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 112.774 real_cost = 209.975 shub_TS1 costs 112.683 real_cost = 195.102 panther2_TS1-scwrl costs 109.943 real_cost = 425.126 panther2_TS1 costs 109.859 real_cost = 422.532 nFOLD_TS5-scwrl costs 99.988 real_cost = 209.160 nFOLD_TS5 costs 99.988 real_cost = 277.164 nFOLD_TS4-scwrl costs 111.900 real_cost = 326.490 nFOLD_TS4 costs 111.888 real_cost = 355.321 nFOLD_TS3-scwrl costs 111.474 real_cost = 321.733 nFOLD_TS3 costs 111.474 real_cost = 372.666 nFOLD_TS2-scwrl costs 104.213 real_cost = 337.418 nFOLD_TS2 costs 104.213 real_cost = 387.873 nFOLD_TS1-scwrl costs 106.578 real_cost = 217.500 nFOLD_TS1 costs 106.578 real_cost = 268.045 mGen-3D_TS1-scwrl costs 90.177 real_cost = 109.402 mGen-3D_TS1 costs 90.177 real_cost = 152.198 keasar-server_TS5-scwrl costs 103.968 real_cost = 290.884 keasar-server_TS5 costs 103.968 real_cost = 298.857 keasar-server_TS4-scwrl costs 103.968 real_cost = 290.884 keasar-server_TS4 costs 103.968 real_cost = 298.857 keasar-server_TS3-scwrl costs 99.734 real_cost = 319.777 keasar-server_TS3 costs 99.734 real_cost = 319.877 keasar-server_TS2-scwrl costs 119.644 real_cost = 294.572 keasar-server_TS2 costs 119.644 real_cost = 302.259 keasar-server_TS1-scwrl costs 128.061 real_cost = 288.938 keasar-server_TS1 costs 128.061 real_cost = 298.107 karypis.srv_TS5-scwrl costs 80.185 real_cost = 184.832 karypis.srv_TS5 costs 80.172 real_cost = 184.316 karypis.srv_TS4-scwrl costs 90.482 real_cost = 231.673 karypis.srv_TS4 costs 90.414 real_cost = 229.073 karypis.srv_TS3-scwrl costs 80.750 real_cost = 257.630 karypis.srv_TS3 costs 80.747 real_cost = 261.519 karypis.srv_TS2-scwrl costs 84.391 real_cost = 171.669 karypis.srv_TS2 costs 84.391 real_cost = 171.669 karypis.srv_TS1-scwrl costs 72.366 real_cost = 172.034 karypis.srv_TS1 costs 72.366 real_cost = 172.034 karypis.srv.4_TS5-scwrl costs 156.674 real_cost = 280.528 karypis.srv.4_TS5 costs 156.674 real_cost = 280.528 karypis.srv.4_TS4-scwrl costs 144.461 real_cost = 253.351 karypis.srv.4_TS4 costs 144.461 real_cost = 253.351 karypis.srv.4_TS3-scwrl costs 142.730 real_cost = 233.050 karypis.srv.4_TS3 costs 142.730 real_cost = 233.050 karypis.srv.4_TS2-scwrl costs 146.571 real_cost = 302.627 karypis.srv.4_TS2 costs 146.571 real_cost = 302.627 karypis.srv.4_TS1-scwrl costs 154.476 real_cost = 314.078 karypis.srv.4_TS1 costs 154.476 real_cost = 314.078 karypis.srv.2_TS5-scwrl costs 82.201 real_cost = 227.152 karypis.srv.2_TS5 costs 82.201 real_cost = 227.152 karypis.srv.2_TS4-scwrl costs 78.111 real_cost = 231.267 karypis.srv.2_TS4 costs 78.111 real_cost = 231.267 karypis.srv.2_TS3-scwrl costs 76.887 real_cost = 186.171 karypis.srv.2_TS3 costs 76.887 real_cost = 184.666 karypis.srv.2_TS2-scwrl costs 84.379 real_cost = 184.971 karypis.srv.2_TS2 costs 84.379 real_cost = 184.971 karypis.srv.2_TS1-scwrl costs 81.014 real_cost = 176.594 karypis.srv.2_TS1 costs 81.014 real_cost = 176.594 forecast-s_AL5-scwrl costs 117.312 real_cost = 353.585 forecast-s_AL5 costs 117.487 real_cost = 398.888 forecast-s_AL4-scwrl costs 135.821 real_cost = 320.505 forecast-s_AL4 costs 135.831 real_cost = 380.009 forecast-s_AL3-scwrl costs 125.885 real_cost = 289.037 forecast-s_AL3 costs 125.949 real_cost = 335.114 forecast-s_AL2-scwrl costs 117.644 real_cost = 277.244 forecast-s_AL2 costs 117.527 real_cost = 307.948 forecast-s_AL1-scwrl costs 99.733 real_cost = 352.120 forecast-s_AL1 costs 99.750 real_cost = 402.757 beautshotbase_TS1-scwrl costs 90.254 real_cost = 203.121 beautshotbase_TS1 costs 90.254 real_cost = 198.414 beautshot_TS1-scwrl costs 79.879 real_cost = 184.744 beautshot_TS1 costs 79.879 real_cost = 183.401 Zhang-Server_TS5-scwrl costs 76.825 real_cost = 45.540 Zhang-Server_TS5 costs 76.825 real_cost = 52.539 Zhang-Server_TS4-scwrl costs 97.275 real_cost = 57.530 Zhang-Server_TS4 costs 97.275 real_cost = 90.413 Zhang-Server_TS3-scwrl costs 86.263 real_cost = 147.474 Zhang-Server_TS3 costs 86.263 real_cost = 159.409 Zhang-Server_TS2-scwrl costs 91.643 real_cost = 182.758 Zhang-Server_TS2 costs 91.643 real_cost = 189.244 Zhang-Server_TS1-scwrl costs 93.232 real_cost = 125.056 Zhang-Server_TS1 costs 93.232 real_cost = 138.317 UNI-EID_sfst_AL5-scwrl costs 107.790 real_cost = 307.998 UNI-EID_sfst_AL5 costs 107.819 real_cost = 333.138 UNI-EID_sfst_AL4-scwrl costs 83.762 real_cost = 176.029 UNI-EID_sfst_AL4 costs 84.229 real_cost = 217.859 UNI-EID_sfst_AL3-scwrl costs 82.479 real_cost = 198.846 UNI-EID_sfst_AL3 costs 82.490 real_cost = 234.641 UNI-EID_sfst_AL2-scwrl costs 92.478 real_cost = 255.005 UNI-EID_sfst_AL2 costs 92.484 real_cost = 262.925 UNI-EID_sfst_AL1-scwrl costs 86.404 real_cost = 264.362 UNI-EID_sfst_AL1 costs 86.356 real_cost = 286.810 UNI-EID_expm_TS1-scwrl costs 100.721 real_cost = 174.476 UNI-EID_expm_TS1 costs 100.685 real_cost = 208.281 UNI-EID_bnmx_TS5-scwrl costs 110.148 real_cost = 283.957 UNI-EID_bnmx_TS5 costs 110.004 real_cost = 316.639 UNI-EID_bnmx_TS4-scwrl costs 117.628 real_cost = 307.824 UNI-EID_bnmx_TS4 costs 117.717 real_cost = 332.102 UNI-EID_bnmx_TS3-scwrl costs 124.836 real_cost = 288.504 UNI-EID_bnmx_TS3 costs 124.765 real_cost = 257.880 UNI-EID_bnmx_TS2-scwrl costs 104.727 real_cost = 242.571 UNI-EID_bnmx_TS2 costs 104.802 real_cost = 275.599 UNI-EID_bnmx_TS1-scwrl costs 87.264 real_cost = 224.415 UNI-EID_bnmx_TS1 costs 87.476 real_cost = 250.712 SPARKS2_TS5-scwrl costs 83.082 real_cost = 208.115 SPARKS2_TS5 costs 83.082 real_cost = 211.412 SPARKS2_TS4-scwrl costs 99.190 real_cost = 222.232 SPARKS2_TS4 costs 99.190 real_cost = 230.617 SPARKS2_TS3-scwrl costs 94.046 real_cost = 232.361 SPARKS2_TS3 costs 94.046 real_cost = 231.051 SPARKS2_TS2-scwrl costs 83.253 real_cost = 186.386 SPARKS2_TS2 costs 83.253 real_cost = 195.343 SPARKS2_TS1-scwrl costs 79.929 real_cost = 165.105 SPARKS2_TS1 costs 79.929 real_cost = 168.245 SP4_TS5-scwrl costs 72.853 real_cost = 89.995 SP4_TS5 costs 72.853 real_cost = 107.929 SP4_TS4-scwrl costs 56.803 real_cost = 209.970 SP4_TS4 costs 56.803 real_cost = 215.891 SP4_TS3-scwrl costs 78.571 real_cost = 83.385 SP4_TS3 costs 78.571 real_cost = 90.939 SP4_TS2-scwrl costs 77.544 real_cost = 170.763 SP4_TS2 costs 77.544 real_cost = 181.170 SP4_TS1-scwrl costs 75.442 real_cost = 186.140 SP4_TS1 costs 75.442 real_cost = 190.699 SP3_TS5-scwrl costs 76.282 real_cost = 214.622 SP3_TS5 costs 76.282 real_cost = 213.066 SP3_TS4-scwrl costs 84.493 real_cost = 185.023 SP3_TS4 costs 84.493 real_cost = 200.491 SP3_TS3-scwrl costs 68.555 real_cost = 139.551 SP3_TS3 costs 68.555 real_cost = 161.604 SP3_TS2-scwrl costs 72.065 real_cost = 171.749 SP3_TS2 costs 72.065 real_cost = 170.195 SP3_TS1-scwrl costs 66.790 real_cost = 148.181 SP3_TS1 costs 66.790 real_cost = 162.433 SAM_T06_server_TS5-scwrl costs 120.638 real_cost = 317.913 SAM_T06_server_TS5 costs 120.442 real_cost = 397.450 SAM_T06_server_TS4-scwrl costs 86.662 real_cost = 152.188 SAM_T06_server_TS4 costs 86.526 real_cost = 136.929 SAM_T06_server_TS3-scwrl costs 80.943 real_cost = 199.392 SAM_T06_server_TS3 costs 80.924 real_cost = 187.634 SAM_T06_server_TS2-scwrl costs 96.065 real_cost = 275.216 SAM_T06_server_TS2 costs 96.128 real_cost = 263.706 SAM_T06_server_TS1-scwrl costs 71.969 real_cost = 99.563 SAM_T06_server_TS1 costs 71.969 real_cost = 100.088 SAM-T02_AL5-scwrl costs 129.020 real_cost = 337.132 SAM-T02_AL5 costs 129.020 real_cost = 402.316 SAM-T02_AL4-scwrl costs 113.476 real_cost = 383.116 SAM-T02_AL4 costs 113.541 real_cost = 412.463 SAM-T02_AL3-scwrl costs 96.004 real_cost = 188.796 SAM-T02_AL3 costs 96.083 real_cost = 195.214 SAM-T02_AL2-scwrl costs 112.873 real_cost = 411.245 SAM-T02_AL2 costs 112.917 real_cost = 416.484 SAM-T02_AL1-scwrl costs 115.495 real_cost = 402.150 SAM-T02_AL1 costs 115.314 real_cost = 400.723 ROKKY_TS5-scwrl costs 52.413 real_cost = 230.357 ROKKY_TS5 costs 52.413 real_cost = 302.338 ROKKY_TS4-scwrl costs 68.565 real_cost = 187.234 ROKKY_TS4 costs 68.565 real_cost = 261.062 ROKKY_TS3-scwrl costs 51.340 real_cost = 183.505 ROKKY_TS3 costs 51.340 real_cost = 258.409 ROKKY_TS2-scwrl costs 62.937 real_cost = 192.778 ROKKY_TS2 costs 62.937 real_cost = 269.715 ROKKY_TS1-scwrl costs 46.105 real_cost = 179.971 ROKKY_TS1 costs 46.105 real_cost = 250.233 ROBETTA_TS5-scwrl costs 56.183 real_cost = 137.815 ROBETTA_TS5 costs 56.183 real_cost = 141.085 ROBETTA_TS4-scwrl costs 55.272 real_cost = 144.610 ROBETTA_TS4 costs 55.272 real_cost = 144.581 ROBETTA_TS3-scwrl costs 52.667 real_cost = 124.529 ROBETTA_TS3 costs 52.667 real_cost = 140.309 ROBETTA_TS2-scwrl costs 52.080 real_cost = 175.039 ROBETTA_TS2 costs 52.080 real_cost = 182.504 ROBETTA_TS1-scwrl costs 50.984 real_cost = 137.229 ROBETTA_TS1 costs 50.984 real_cost = 136.942 RAPTOR_TS5-scwrl costs 80.534 real_cost = 133.366 RAPTOR_TS5 costs 80.534 real_cost = 140.521 RAPTOR_TS4-scwrl costs 61.901 real_cost = 196.175 RAPTOR_TS4 costs 61.901 real_cost = 207.177 RAPTOR_TS3-scwrl costs 65.491 real_cost = 181.437 RAPTOR_TS3 costs 65.491 real_cost = 166.229 RAPTOR_TS2-scwrl costs 79.194 real_cost = 218.737 RAPTOR_TS2 costs 79.194 real_cost = 217.880 RAPTOR_TS1-scwrl costs 75.971 real_cost = 75.926 RAPTOR_TS1 costs 75.971 real_cost = 94.936 RAPTORESS_TS5-scwrl costs 97.373 real_cost = 227.169 RAPTORESS_TS5 costs 97.373 real_cost = 237.328 RAPTORESS_TS4-scwrl costs 82.808 real_cost = 173.188 RAPTORESS_TS4 costs 82.808 real_cost = 178.402 RAPTORESS_TS3-scwrl costs 78.091 real_cost = 155.246 RAPTORESS_TS3 costs 78.091 real_cost = 164.236 RAPTORESS_TS2-scwrl costs 71.825 real_cost = 199.231 RAPTORESS_TS2 costs 71.825 real_cost = 202.789 RAPTORESS_TS1-scwrl costs 86.598 real_cost = 86.757 RAPTORESS_TS1 costs 86.598 real_cost = 96.620 RAPTOR-ACE_TS5-scwrl costs 74.041 real_cost = 134.676 RAPTOR-ACE_TS5 costs 74.041 real_cost = 136.253 RAPTOR-ACE_TS4-scwrl costs 68.377 real_cost = 97.031 RAPTOR-ACE_TS4 costs 68.377 real_cost = 111.204 RAPTOR-ACE_TS3-scwrl costs 61.974 real_cost = 200.361 RAPTOR-ACE_TS3 costs 61.974 real_cost = 192.814 RAPTOR-ACE_TS2-scwrl costs 82.596 real_cost = 253.327 RAPTOR-ACE_TS2 costs 82.596 real_cost = 266.340 RAPTOR-ACE_TS1-scwrl costs 75.409 real_cost = 163.316 RAPTOR-ACE_TS1 costs 75.409 real_cost = 157.861 Pmodeller6_TS5-scwrl costs 56.183 real_cost = 137.815 Pmodeller6_TS5 costs 56.183 real_cost = 141.085 Pmodeller6_TS4-scwrl costs 55.272 real_cost = 144.610 Pmodeller6_TS4 costs 55.272 real_cost = 144.581 Pmodeller6_TS3-scwrl costs 67.309 real_cost = 94.376 Pmodeller6_TS3 costs 67.309 real_cost = 93.768 Pmodeller6_TS2-scwrl costs 52.080 real_cost = 175.039 Pmodeller6_TS2 costs 52.080 real_cost = 182.504 Pmodeller6_TS1-scwrl costs 50.984 real_cost = 137.229 Pmodeller6_TS1 costs 50.984 real_cost = 136.942 Phyre-2_TS5-scwrl costs 53.524 real_cost = 170.668 Phyre-2_TS5 costs 53.524 real_cost = 184.152 Phyre-2_TS4-scwrl costs 63.824 real_cost = 215.909 Phyre-2_TS4 costs 63.824 real_cost = 221.524 Phyre-2_TS3-scwrl costs 60.301 real_cost = 207.384 Phyre-2_TS3 costs 60.301 real_cost = 219.764 Phyre-2_TS2-scwrl costs 63.034 real_cost = 193.132 Phyre-2_TS2 costs 63.034 real_cost = 213.714 Phyre-2_TS1-scwrl costs 59.636 real_cost = 222.560 Phyre-2_TS1 costs 59.636 real_cost = 227.133 Phyre-1_TS1-scwrl costs 108.462 real_cost = 314.326 Phyre-1_TS1 costs 108.633 real_cost = 311.512 Pcons6_TS5-scwrl costs 55.272 real_cost = 144.610 Pcons6_TS5 costs 55.272 real_cost = 144.581 Pcons6_TS4-scwrl costs 56.183 real_cost = 137.815 Pcons6_TS4 costs 56.183 real_cost = 141.085 Pcons6_TS3-scwrl costs 50.984 real_cost = 137.229 Pcons6_TS3 costs 50.984 real_cost = 136.942 Pcons6_TS2-scwrl costs 82.089 real_cost = 222.746 Pcons6_TS2 costs 81.862 real_cost = 219.346 Pcons6_TS1-scwrl costs 72.956 real_cost = 166.934 Pcons6_TS1 costs 72.956 real_cost = 166.934 PROTINFO_TS5-scwrl costs 113.860 real_cost = 317.255 PROTINFO_TS5 costs 113.860 real_cost = 316.970 PROTINFO_TS4-scwrl costs 68.167 real_cost = 159.096 PROTINFO_TS4 costs 68.167 real_cost = 173.624 PROTINFO_TS3-scwrl costs 80.503 real_cost = 161.858 PROTINFO_TS3 costs 80.503 real_cost = 158.180 PROTINFO_TS2-scwrl costs 69.188 real_cost = 139.056 PROTINFO_TS2 costs 69.188 real_cost = 137.032 PROTINFO_TS1-scwrl costs 76.834 real_cost = 163.233 PROTINFO_TS1 costs 76.834 real_cost = 165.358 PROTINFO-AB_TS5-scwrl costs 66.616 real_cost = 198.728 PROTINFO-AB_TS5 costs 66.616 real_cost = 192.513 PROTINFO-AB_TS4-scwrl costs 76.740 real_cost = 189.758 PROTINFO-AB_TS4 costs 76.740 real_cost = 200.217 PROTINFO-AB_TS3-scwrl costs 67.591 real_cost = 142.429 PROTINFO-AB_TS3 costs 67.591 real_cost = 164.777 PROTINFO-AB_TS2-scwrl costs 73.695 real_cost = 181.089 PROTINFO-AB_TS2 costs 73.695 real_cost = 170.120 PROTINFO-AB_TS1-scwrl costs 84.470 real_cost = 187.945 PROTINFO-AB_TS1 costs 84.470 real_cost = 178.834 POMYSL_TS5-scwrl costs 93.110 real_cost = 234.540 POMYSL_TS5 costs 93.110 real_cost = 235.415 POMYSL_TS4-scwrl costs 107.237 real_cost = 249.460 POMYSL_TS4 costs 107.237 real_cost = 261.216 POMYSL_TS3-scwrl costs 98.098 real_cost = 243.227 POMYSL_TS3 costs 98.098 real_cost = 265.067 POMYSL_TS2-scwrl costs 87.791 real_cost = 241.280 POMYSL_TS2 costs 87.791 real_cost = 245.836 POMYSL_TS1-scwrl costs 109.426 real_cost = 236.076 POMYSL_TS1 costs 109.426 real_cost = 255.789 NN_PUT_lab_TS1-scwrl costs 84.545 real_cost = 154.972 NN_PUT_lab_TS1 costs 84.545 real_cost = 218.125 MetaTasser_TS5-scwrl costs 121.119 real_cost = 196.638 MetaTasser_TS5 costs 121.119 real_cost = 193.556 MetaTasser_TS4-scwrl costs 100.852 real_cost = 181.079 MetaTasser_TS4 costs 100.852 real_cost = 189.722 MetaTasser_TS3-scwrl costs 100.798 real_cost = 194.650 MetaTasser_TS3 costs 100.798 real_cost = 196.366 MetaTasser_TS2-scwrl costs 102.849 real_cost = 190.591 MetaTasser_TS2 costs 102.849 real_cost = 200.625 MetaTasser_TS1-scwrl costs 93.350 real_cost = 201.229 MetaTasser_TS1 costs 93.350 real_cost = 204.927 Ma-OPUS-server_TS5-scwrl costs 58.336 real_cost = 200.819 Ma-OPUS-server_TS5 costs 58.336 real_cost = 221.461 Ma-OPUS-server_TS4-scwrl costs 86.299 real_cost = 169.951 Ma-OPUS-server_TS4 costs 86.299 real_cost = 170.822 Ma-OPUS-server_TS3-scwrl costs 72.310 real_cost = 167.678 Ma-OPUS-server_TS3 costs 72.310 real_cost = 179.875 Ma-OPUS-server_TS2-scwrl costs 87.876 real_cost = 162.836 Ma-OPUS-server_TS2 costs 87.876 real_cost = 169.452 Ma-OPUS-server_TS1-scwrl costs 70.032 real_cost = 217.572 Ma-OPUS-server_TS1 costs 70.032 real_cost = 218.235 Ma-OPUS-server2_TS5-scwrl costs 71.663 real_cost = 187.450 Ma-OPUS-server2_TS5 costs 71.663 real_cost = 198.211 Ma-OPUS-server2_TS4-scwrl costs 86.299 real_cost = 169.951 Ma-OPUS-server2_TS4 costs 86.299 real_cost = 170.822 Ma-OPUS-server2_TS3-scwrl costs 83.387 real_cost = 207.090 Ma-OPUS-server2_TS3 costs 83.387 real_cost = 214.296 Ma-OPUS-server2_TS2-scwrl costs 97.572 real_cost = 208.752 Ma-OPUS-server2_TS2 costs 97.572 real_cost = 221.808 Ma-OPUS-server2_TS1-scwrl costs 68.613 real_cost = 208.069 Ma-OPUS-server2_TS1 costs 68.613 real_cost = 207.232 MIG_FROST_AL1-scwrl costs 72.572 real_cost = 180.831 MIG_FROST_AL1 costs 72.572 real_cost = 180.831 LOOPP_TS5 costs 72.481 real_cost = 192.632 LOOPP_TS4-scwrl costs 84.491 real_cost = 148.493 LOOPP_TS4 costs 84.487 real_cost = 141.104 LOOPP_TS3-scwrl costs 69.126 real_cost = 132.902 LOOPP_TS3 costs 69.152 real_cost = 142.250 LOOPP_TS2-scwrl costs 75.963 real_cost = 96.331 LOOPP_TS2 costs 75.872 real_cost = 103.940 LOOPP_TS1-scwrl costs 83.898 real_cost = 135.719 LOOPP_TS1 costs 83.911 real_cost = 148.475 Huber-Torda-Server_TS5-scwrl costs 107.353 real_cost = 327.097 Huber-Torda-Server_TS5 costs 107.637 real_cost = 327.789 Huber-Torda-Server_TS4-scwrl costs 113.069 real_cost = 812.866 Huber-Torda-Server_TS4 costs 113.062 real_cost = 815.866 Huber-Torda-Server_TS3-scwrl costs 112.545 real_cost = 812.866 Huber-Torda-Server_TS3 costs 112.538 real_cost = 815.866 Huber-Torda-Server_TS2-scwrl costs 113.960 real_cost = 812.866 Huber-Torda-Server_TS2 costs 113.971 real_cost = 815.866 Huber-Torda-Server_TS1-scwrl costs 114.370 real_cost = 812.866 Huber-Torda-Server_TS1 costs 114.472 real_cost = 815.866 HHpred3_TS1-scwrl costs 85.236 real_cost = 169.642 HHpred3_TS1 costs 85.236 real_cost = 189.301 HHpred2_TS1-scwrl costs 74.466 real_cost = 199.597 HHpred2_TS1 costs 74.466 real_cost = 218.997 HHpred1_TS1-scwrl costs 74.466 real_cost = 199.597 HHpred1_TS1 costs 74.466 real_cost = 218.997 GeneSilicoMetaServer_TS5-scwrl costs 84.235 real_cost = 198.398 GeneSilicoMetaServer_TS5 costs 84.247 real_cost = 208.068 GeneSilicoMetaServer_TS4-scwrl costs 111.781 real_cost = 381.309 GeneSilicoMetaServer_TS4 costs 111.636 real_cost = 374.404 GeneSilicoMetaServer_TS3-scwrl costs 80.816 real_cost = 232.225 GeneSilicoMetaServer_TS3 costs 80.816 real_cost = 236.925 GeneSilicoMetaServer_TS2-scwrl costs 66.881 real_cost = 150.054 GeneSilicoMetaServer_TS2 costs 66.881 real_cost = 147.480 GeneSilicoMetaServer_TS1-scwrl costs 74.579 real_cost = 165.655 GeneSilicoMetaServer_TS1 costs 74.547 real_cost = 164.067 FUNCTION_TS5-scwrl costs 98.914 real_cost = 150.852 FUNCTION_TS5 costs 98.914 real_cost = 158.088 FUNCTION_TS4-scwrl costs 98.921 real_cost = 215.757 FUNCTION_TS4 costs 98.921 real_cost = 226.286 FUNCTION_TS3-scwrl costs 95.037 real_cost = 213.822 FUNCTION_TS3 costs 95.037 real_cost = 221.376 FUNCTION_TS2-scwrl costs 94.836 real_cost = 171.476 FUNCTION_TS2 costs 94.836 real_cost = 189.796 FUNCTION_TS1-scwrl costs 89.195 real_cost = 226.384 FUNCTION_TS1 costs 89.195 real_cost = 233.853 FUGUE_AL5-scwrl costs 131.578 real_cost = 364.222 FUGUE_AL5 costs 131.569 real_cost = 423.685 FUGUE_AL4-scwrl costs 107.389 real_cost = 328.140 FUGUE_AL4 costs 107.465 real_cost = 393.372 FUGUE_AL3-scwrl costs 105.668 real_cost = 204.119 FUGUE_AL3 costs 105.830 real_cost = 259.909 FUGUE_AL2-scwrl costs 112.227 real_cost = 282.055 FUGUE_AL2 costs 112.227 real_cost = 351.105 FUGUE_AL1-scwrl costs 84.545 real_cost = 154.972 FUGUE_AL1 costs 84.545 real_cost = 218.125 FUGMOD_TS5-scwrl costs 117.240 real_cost = 341.486 FUGMOD_TS5 costs 117.240 real_cost = 310.618 FUGMOD_TS4-scwrl costs 88.686 real_cost = 278.600 FUGMOD_TS4 costs 88.686 real_cost = 290.790 FUGMOD_TS3-scwrl costs 91.951 real_cost = 192.851 FUGMOD_TS3 costs 91.951 real_cost = 201.254 FUGMOD_TS2-scwrl costs 109.730 real_cost = 246.058 FUGMOD_TS2 costs 109.730 real_cost = 250.393 FUGMOD_TS1-scwrl costs 80.682 real_cost = 128.163 FUGMOD_TS1 costs 80.682 real_cost = 125.857 FPSOLVER-SERVER_TS5-scwrl costs 120.533 real_cost = 273.648 FPSOLVER-SERVER_TS5 costs 120.533 real_cost = 278.186 FPSOLVER-SERVER_TS4-scwrl costs 123.826 real_cost = 295.447 FPSOLVER-SERVER_TS4 costs 123.826 real_cost = 295.287 FPSOLVER-SERVER_TS3-scwrl costs 130.507 real_cost = 311.558 FPSOLVER-SERVER_TS3 costs 130.507 real_cost = 311.502 FPSOLVER-SERVER_TS2-scwrl costs 122.575 real_cost = 270.271 FPSOLVER-SERVER_TS2 costs 122.575 real_cost = 265.904 FPSOLVER-SERVER_TS1-scwrl costs 126.275 real_cost = 318.238 FPSOLVER-SERVER_TS1 costs 126.275 real_cost = 318.133 FORTE2_AL5-scwrl costs 110.787 real_cost = 306.882 FORTE2_AL5 costs 110.750 real_cost = 355.784 FORTE2_AL4-scwrl costs 87.788 real_cost = 241.293 FORTE2_AL4 costs 87.675 real_cost = 300.087 FORTE2_AL3-scwrl costs 110.524 real_cost = 281.278 FORTE2_AL3 costs 110.521 real_cost = 308.299 FORTE2_AL2-scwrl costs 115.751 real_cost = 354.026 FORTE2_AL2 costs 115.788 real_cost = 412.329 FORTE2_AL1-scwrl costs 94.983 real_cost = 143.034 FORTE2_AL1 costs 94.983 real_cost = 201.063 FORTE1_AL5-scwrl costs 110.524 real_cost = 281.278 FORTE1_AL5 costs 110.521 real_cost = 308.299 FORTE1_AL4-scwrl costs 115.751 real_cost = 354.026 FORTE1_AL4 costs 115.788 real_cost = 412.329 FORTE1_AL3-scwrl costs 94.983 real_cost = 143.034 FORTE1_AL3 costs 94.983 real_cost = 201.063 FORTE1_AL2-scwrl costs 122.033 real_cost = 249.787 FORTE1_AL2 costs 122.033 real_cost = 299.857 FORTE1_AL1-scwrl costs 109.994 real_cost = 340.545 FORTE1_AL1 costs 109.994 real_cost = 338.690 FOLDpro_TS5-scwrl costs 104.533 real_cost = 271.447 FOLDpro_TS5 costs 104.533 real_cost = 267.853 FOLDpro_TS4-scwrl costs 89.476 real_cost = 241.953 FOLDpro_TS4 costs 89.476 real_cost = 246.801 FOLDpro_TS3-scwrl costs 97.629 real_cost = 263.961 FOLDpro_TS3 costs 97.629 real_cost = 262.918 FOLDpro_TS2-scwrl costs 101.923 real_cost = 263.490 FOLDpro_TS2 costs 101.923 real_cost = 265.447 FOLDpro_TS1-scwrl costs 92.888 real_cost = 262.720 FOLDpro_TS1 costs 92.888 real_cost = 255.176 FAMS_TS5-scwrl costs 94.836 real_cost = 171.476 FAMS_TS5 costs 94.836 real_cost = 189.796 FAMS_TS4-scwrl costs 68.623 real_cost = 206.582 FAMS_TS4 costs 68.623 real_cost = 195.749 FAMS_TS3-scwrl costs 93.873 real_cost = 175.737 FAMS_TS3 costs 93.873 real_cost = 193.536 FAMS_TS2-scwrl costs 102.683 real_cost = 163.371 FAMS_TS2 costs 102.683 real_cost = 170.755 FAMS_TS1-scwrl costs 83.111 real_cost = 239.150 FAMS_TS1 costs 83.111 real_cost = 256.341 FAMSD_TS5-scwrl costs 93.104 real_cost = 160.212 FAMSD_TS5 costs 93.104 real_cost = 168.712 FAMSD_TS4-scwrl costs 93.781 real_cost = 189.693 FAMSD_TS4 costs 93.781 real_cost = 190.290 FAMSD_TS3-scwrl costs 90.442 real_cost = 231.566 FAMSD_TS3 costs 90.442 real_cost = 234.347 FAMSD_TS2-scwrl costs 102.683 real_cost = 163.371 FAMSD_TS2 costs 102.683 real_cost = 170.755 FAMSD_TS1-scwrl costs 79.675 real_cost = 110.110 FAMSD_TS1 costs 79.675 real_cost = 109.296 Distill_TS5-scwrl costs 217.194 real_cost = 292.084 Distill_TS4-scwrl costs 222.487 real_cost = 283.999 Distill_TS3-scwrl costs 211.433 real_cost = 284.797 Distill_TS2-scwrl costs 213.602 real_cost = 299.020 Distill_TS1-scwrl costs 214.807 real_cost = 289.351 CaspIta-FOX_TS5-scwrl costs 87.553 real_cost = 341.030 CaspIta-FOX_TS5 costs 87.638 real_cost = 335.983 CaspIta-FOX_TS4-scwrl costs 101.153 real_cost = 200.481 CaspIta-FOX_TS4 costs 101.142 real_cost = 205.212 CaspIta-FOX_TS3-scwrl costs 120.134 real_cost = 271.020 CaspIta-FOX_TS3 costs 120.134 real_cost = 271.465 CaspIta-FOX_TS2-scwrl costs 92.306 real_cost = 216.078 CaspIta-FOX_TS2 costs 92.351 real_cost = 213.668 CaspIta-FOX_TS1-scwrl costs 103.341 real_cost = 273.547 CaspIta-FOX_TS1 costs 103.328 real_cost = 276.369 CIRCLE_TS5-scwrl costs 81.510 real_cost = 136.639 CIRCLE_TS5 costs 81.497 real_cost = 129.249 CIRCLE_TS4-scwrl costs 73.413 real_cost = 112.709 CIRCLE_TS4 costs 73.309 real_cost = 119.890 CIRCLE_TS3-scwrl costs 93.873 real_cost = 175.737 CIRCLE_TS3 costs 93.873 real_cost = 193.536 CIRCLE_TS2-scwrl costs 75.731 real_cost = 217.683 CIRCLE_TS2 costs 75.724 real_cost = 219.702 CIRCLE_TS1-scwrl costs 68.623 real_cost = 206.582 CIRCLE_TS1 costs 68.623 real_cost = 195.749 Bilab-ENABLE_TS2-scwrl costs 100.679 real_cost = 237.010 Bilab-ENABLE_TS2 costs 100.679 real_cost = 237.010 Bilab-ENABLE_TS1-scwrl costs 120.246 real_cost = 345.426 Bilab-ENABLE_TS1 costs 120.246 real_cost = 345.426 BayesHH_TS1-scwrl costs 91.455 real_cost = 247.845 BayesHH_TS1 costs 91.455 real_cost = 243.593 ABIpro_TS5-scwrl costs 73.683 real_cost = 184.438 ABIpro_TS5 costs 73.683 real_cost = 184.914 ABIpro_TS4-scwrl costs 67.152 real_cost = 174.805 ABIpro_TS4 costs 67.152 real_cost = 174.805 ABIpro_TS3-scwrl costs 89.766 real_cost = 189.939 ABIpro_TS3 costs 89.766 real_cost = 189.895 ABIpro_TS2-scwrl costs 91.113 real_cost = 174.175 ABIpro_TS2 costs 91.113 real_cost = 174.225 ABIpro_TS1-scwrl costs 70.911 real_cost = 211.508 ABIpro_TS1 costs 70.911 real_cost = 211.508 3Dpro_TS5-scwrl costs 97.629 real_cost = 263.961 3Dpro_TS5 costs 97.629 real_cost = 262.918 3Dpro_TS4-scwrl costs 91.113 real_cost = 174.175 3Dpro_TS4 costs 91.113 real_cost = 174.225 3Dpro_TS3-scwrl costs 70.911 real_cost = 211.508 3Dpro_TS3 costs 70.911 real_cost = 211.508 3Dpro_TS2-scwrl costs 92.888 real_cost = 262.720 3Dpro_TS2 costs 92.888 real_cost = 255.176 3Dpro_TS1-scwrl costs 104.533 real_cost = 271.447 3Dpro_TS1 costs 104.533 real_cost = 267.853 3D-JIGSAW_TS5-scwrl costs 130.119 real_cost = 313.060 3D-JIGSAW_TS5 costs 130.067 real_cost = 307.591 3D-JIGSAW_TS4-scwrl costs 108.396 real_cost = 226.136 3D-JIGSAW_TS4 costs 108.396 real_cost = 210.711 3D-JIGSAW_TS3-scwrl costs 93.829 real_cost = 292.632 3D-JIGSAW_TS3 costs 93.751 real_cost = 285.953 3D-JIGSAW_TS2-scwrl costs 91.463 real_cost = 261.067 3D-JIGSAW_TS2 costs 91.479 real_cost = 261.565 3D-JIGSAW_TS1-scwrl costs 102.128 real_cost = 236.389 3D-JIGSAW_TS1 costs 102.128 real_cost = 239.531 3D-JIGSAW_RECOM_TS5-scwrl costs 116.532 real_cost = 271.273 3D-JIGSAW_RECOM_TS5 costs 116.532 real_cost = 274.073 3D-JIGSAW_RECOM_TS4-scwrl costs 104.556 real_cost = 243.598 3D-JIGSAW_RECOM_TS4 costs 104.556 real_cost = 239.524 3D-JIGSAW_RECOM_TS3-scwrl costs 114.579 real_cost = 269.345 3D-JIGSAW_RECOM_TS3 costs 114.579 real_cost = 272.716 3D-JIGSAW_RECOM_TS2-scwrl costs 120.275 real_cost = 279.616 3D-JIGSAW_RECOM_TS2 costs 120.235 real_cost = 282.160 3D-JIGSAW_RECOM_TS1-scwrl costs 116.326 real_cost = 272.866 3D-JIGSAW_RECOM_TS1 costs 116.326 real_cost = 276.811 3D-JIGSAW_POPULUS_TS5-scwrl costs 80.059 real_cost = 220.392 3D-JIGSAW_POPULUS_TS5 costs 80.059 real_cost = 220.392 3D-JIGSAW_POPULUS_TS4-scwrl costs 103.949 real_cost = 266.075 3D-JIGSAW_POPULUS_TS4 costs 103.949 real_cost = 266.075 3D-JIGSAW_POPULUS_TS3-scwrl costs 103.634 real_cost = 267.426 3D-JIGSAW_POPULUS_TS3 costs 103.634 real_cost = 267.426 3D-JIGSAW_POPULUS_TS2-scwrl costs 104.177 real_cost = 271.339 3D-JIGSAW_POPULUS_TS2 costs 104.177 real_cost = 271.339 3D-JIGSAW_POPULUS_TS1-scwrl costs 106.684 real_cost = 279.991 3D-JIGSAW_POPULUS_TS1 costs 106.663 real_cost = 279.245 chimera5-24.pdb.gz costs 86.845 real_cost = 173.373 chimera5-2.pdb.gz costs 86.360 real_cost = 177.389 chimera4-24.pdb.gz costs 70.584 real_cost = 136.612 chimera2-2.pdb.gz costs 86.420 real_cost = 178.250 T0358.try9-opt2.repack-nonPC.pdb.gz costs 108.788 real_cost = 212.902 T0358.try9-opt2.pdb.gz costs 108.788 real_cost = 210.260 T0358.try9-opt2.gromacs0.repack-nonPC.pdb.gz costs 85.101 real_cost = 213.894 T0358.try9-opt2.gromacs0.pdb.gz costs 85.101 real_cost = 214.859 T0358.try9-opt1.pdb.gz costs 97.294 real_cost = 208.637 T0358.try9-opt1-scwrl.pdb.gz costs 97.294 real_cost = 206.520 T0358.try8-opt2.repack-nonPC.pdb.gz costs 67.475 real_cost = 134.583 T0358.try8-opt2.pdb.gz costs 67.475 real_cost = 137.044 T0358.try8-opt2.gromacs0.repack-nonPC.pdb.gz costs 59.011 real_cost = 132.570 T0358.try8-opt2.gromacs0.pdb.gz costs 59.011 real_cost = 134.181 T0358.try8-opt1.pdb.gz costs 66.449 real_cost = 132.658 T0358.try8-opt1-scwrl.pdb.gz costs 66.449 real_cost = 131.369 T0358.try7-opt2.repack-nonPC.pdb.gz costs 70.729 real_cost = 142.848 T0358.try7-opt2.pdb.gz costs 70.729 real_cost = 141.211 T0358.try7-opt2.gromacs0.repack-nonPC.pdb.gz costs 60.841 real_cost = 137.032 T0358.try7-opt2.gromacs0.pdb.gz costs 60.841 real_cost = 136.876 T0358.try7-opt1.pdb.gz costs 70.687 real_cost = 138.114 T0358.try7-opt1-scwrl.pdb.gz costs 70.687 real_cost = 134.747 T0358.try6-opt2.repack-nonPC.pdb.gz costs 129.996 real_cost = 218.151 T0358.try6-opt2.pdb.gz costs 129.996 real_cost = 221.766 T0358.try6-opt2.gromacs0.repack-nonPC.pdb.gz costs 113.763 real_cost = 226.052 T0358.try6-opt2.gromacs0.pdb.gz costs 113.763 real_cost = 228.280 T0358.try6-opt1.pdb.gz costs 130.894 real_cost = 217.847 T0358.try6-opt1-scwrl.pdb.gz costs 130.894 real_cost = 217.587 T0358.try5-opt2.repack-nonPC.pdb.gz costs 75.846 real_cost = 160.920 T0358.try5-opt2.pdb.gz costs 75.846 real_cost = 158.051 T0358.try5-opt2.gromacs0.repack-nonPC.pdb.gz costs 60.764 real_cost = 160.992 T0358.try5-opt2.gromacs0.pdb.gz costs 60.764 real_cost = 158.909 T0358.try5-opt1.pdb.gz costs 78.371 real_cost = 151.940 T0358.try5-opt1-scwrl.pdb.gz costs 78.371 real_cost = 156.905 T0358.try4-opt2.repack-nonPC.pdb.gz costs 76.726 real_cost = 134.803 T0358.try4-opt2.pdb.gz costs 76.726 real_cost = 134.951 T0358.try4-opt2.gromacs0.repack-nonPC.pdb.gz costs 60.799 real_cost = 130.702 T0358.try4-opt2.gromacs0.pdb.gz costs 60.799 real_cost = 129.197 T0358.try4-opt1.pdb.gz costs 69.212 real_cost = 134.861 T0358.try4-opt1-scwrl.pdb.gz costs 69.212 real_cost = 131.355 T0358.try3-opt2.repack-nonPC.pdb.gz costs 73.791 real_cost = 142.565 T0358.try3-opt2.pdb.gz costs 73.791 real_cost = 141.884 T0358.try3-opt2.gromacs0.repack-nonPC.pdb.gz costs 60.721 real_cost = 136.292 T0358.try3-opt2.gromacs0.pdb.gz costs 60.721 real_cost = 139.901 T0358.try3-opt1.pdb.gz costs 70.907 real_cost = 144.447 T0358.try3-opt1-scwrl.pdb.gz costs 70.907 real_cost = 143.959 T0358.try28-opt2.repack-nonPC.pdb.gz costs 70.627 real_cost = 137.101 T0358.try28-opt2.pdb.gz costs 70.627 real_cost = 138.168 T0358.try28-opt2.gromacs0.repack-nonPC.pdb.gz costs 61.909 real_cost = 135.446 T0358.try28-opt2.gromacs0.pdb.gz costs 61.909 real_cost = 137.726 T0358.try28-opt1-scwrl.pdb.gz costs 70.584 real_cost = 130.726 T0358.try27-opt2.repack-nonPC.pdb.gz costs 73.822 real_cost = 138.735 T0358.try27-opt2.pdb.gz costs 73.822 real_cost = 139.739 T0358.try27-opt2.gromacs0.repack-nonPC.pdb.gz costs 62.275 real_cost = 134.202 T0358.try27-opt2.gromacs0.pdb.gz costs 62.275 real_cost = 137.638 T0358.try27-opt1-scwrl.pdb.gz costs 70.746 real_cost = 134.560 T0358.try26-opt2.repack-nonPC.pdb.gz costs 80.453 real_cost = 177.429 T0358.try26-opt2.pdb.gz costs 80.453 real_cost = 177.125 T0358.try26-opt2.gromacs0.repack-nonPC.pdb.gz costs 66.020 real_cost = 178.808 T0358.try26-opt2.gromacs0.pdb.gz costs 66.020 real_cost = 176.747 T0358.try26-opt1.pdb.gz costs 81.041 real_cost = 177.620 T0358.try26-opt1-scwrl.pdb.gz costs 81.041 real_cost = 175.604 T0358.try25-opt2.repack-nonPC.pdb.gz costs 81.041 real_cost = 181.040 T0358.try25-opt2.pdb.gz costs 81.041 real_cost = 178.210 T0358.try25-opt2.gromacs0.repack-nonPC.pdb.gz costs 65.830 real_cost = 180.709 T0358.try25-opt2.gromacs0.pdb.gz costs 65.830 real_cost = 177.928 T0358.try25-opt1.pdb.gz costs 81.093 real_cost = 175.066 T0358.try25-opt1-scwrl.pdb.gz costs 81.093 real_cost = 173.616 T0358.try24-opt2.repack-nonPC.pdb.gz costs 64.746 real_cost = 135.856 T0358.try24-opt2.pdb.gz costs 64.746 real_cost = 144.205 T0358.try24-opt2.gromacs0.repack-nonPC.pdb.gz costs 66.364 real_cost = 140.670 T0358.try24-opt2.gromacs0.pdb.gz costs 66.364 real_cost = 149.087 T0358.try24-opt1.pdb.gz costs 71.233 real_cost = 145.844 T0358.try24-opt1-scwrl.pdb.gz costs 71.233 real_cost = 144.073 T0358.try23-opt2.repack-nonPC.pdb.gz costs 58.890 real_cost = 141.739 T0358.try23-opt2.pdb.gz costs 58.890 real_cost = 139.651 T0358.try23-opt2.gromacs0.repack-nonPC.pdb.gz costs 58.572 real_cost = 139.428 T0358.try23-opt2.gromacs0.pdb.gz costs 58.572 real_cost = 139.909 T0358.try23-opt1.pdb.gz costs 61.850 real_cost = 143.482 T0358.try23-opt1-scwrl.pdb.gz costs 61.850 real_cost = 145.522 T0358.try22-opt2.repack-nonPC.pdb.gz costs 70.704 real_cost = 165.047 T0358.try22-opt2.pdb.gz costs 70.704 real_cost = 156.741 T0358.try22-opt2.gromacs0.repack-nonPC.pdb.gz costs 59.731 real_cost = 160.250 T0358.try22-opt2.gromacs0.pdb.gz costs 59.731 real_cost = 154.872 T0358.try22-opt1.pdb.gz costs 71.230 real_cost = 157.482 T0358.try22-opt1-scwrl.pdb.gz costs 71.230 real_cost = 161.545 T0358.try21-opt2.repack-nonPC.pdb.gz costs 74.431 real_cost = 176.981 T0358.try21-opt2.pdb.gz costs 74.431 real_cost = 176.097 T0358.try21-opt2.gromacs0.repack-nonPC.pdb.gz costs 62.388 real_cost = 180.143 T0358.try21-opt2.gromacs0.pdb.gz costs 62.388 real_cost = 180.434 T0358.try21-opt1.pdb.gz costs 73.629 real_cost = 171.557 T0358.try21-opt1-scwrl.pdb.gz costs 73.629 real_cost = 166.114 T0358.try20-opt2.pdb.gz costs 81.228 real_cost = 174.120 T0358.try20-opt2.gromacs0.repack-nonPC.pdb.gz costs 65.031 real_cost = 179.713 T0358.try20-opt2.gromacs0.pdb.gz costs 65.031 real_cost = 173.105 T0358.try20-opt1.pdb.gz costs 76.919 real_cost = 177.669 T0358.try20-opt1-scwrl.pdb.gz costs 76.919 real_cost = 180.326 T0358.try2-opt2.repack-nonPC.pdb.gz costs 70.020 real_cost = 154.710 T0358.try2-opt2.pdb.gz costs 70.020 real_cost = 146.412 T0358.try2-opt2.gromacs0.repack-nonPC.pdb.gz costs 57.466 real_cost = 150.170 T0358.try2-opt2.gromacs0.pdb.gz costs 57.466 real_cost = 146.688 T0358.try2-opt1.pdb.gz costs 66.358 real_cost = 136.046 T0358.try2-opt1-scwrl.pdb.gz costs 66.358 real_cost = 142.074 T0358.try19-opt2.repack-nonPC.pdb.gz costs 82.346 real_cost = 184.326 T0358.try19-opt2.pdb.gz costs 82.346 real_cost = 184.045 T0358.try19-opt2.gromacs0.repack-nonPC.pdb.gz costs 52.821 real_cost = 150.245 T0358.try19-opt2.gromacs0.pdb.gz costs 62.833 real_cost = 181.212 T0358.try19-opt1.pdb.gz costs 81.530 real_cost = 189.781 T0358.try19-opt1-scwrl.pdb.gz costs 81.530 real_cost = 188.798 T0358.try18-opt2.repack-nonPC.pdb.gz costs 72.859 real_cost = 143.215 T0358.try18-opt2.pdb.gz costs 72.859 real_cost = 141.348 T0358.try18-opt2.gromacs0.repack-nonPC.pdb.gz costs 61.090 real_cost = 132.662 T0358.try18-opt2.gromacs0.pdb.gz costs 61.090 real_cost = 131.547 T0358.try18-opt1.pdb.gz costs 69.238 real_cost = 142.357 T0358.try18-opt1-scwrl.pdb.gz costs 69.238 real_cost = 138.901 T0358.try17-opt2.repack-nonPC.pdb.gz costs 92.332 real_cost = 177.956 T0358.try17-opt2.pdb.gz costs 92.332 real_cost = 177.697 T0358.try17-opt2.gromacs0.repack-nonPC.pdb.gz costs 69.003 real_cost = 184.216 T0358.try17-opt2.gromacs0.pdb.gz costs 69.003 real_cost = 185.700 T0358.try17-opt1.pdb.gz costs 88.775 real_cost = 173.051 T0358.try17-opt1-scwrl.pdb.gz costs 88.775 real_cost = 176.647 T0358.try16-opt2.repack-nonPC.pdb.gz costs 68.623 real_cost = 143.383 T0358.try16-opt2.pdb.gz costs 68.623 real_cost = 144.703 T0358.try16-opt2.gromacs0.repack-nonPC.pdb.gz costs 56.342 real_cost = 145.820 T0358.try16-opt2.gromacs0.pdb.gz costs 56.342 real_cost = 143.361 T0358.try16-opt1.pdb.gz costs 69.898 real_cost = 136.385 T0358.try16-opt1-scwrl.pdb.gz costs 69.898 real_cost = 138.254 T0358.try15-opt2.repack-nonPC.pdb.gz costs 94.609 real_cost = 212.779 T0358.try15-opt2.pdb.gz costs 94.609 real_cost = 211.531 T0358.try15-opt2.gromacs0.repack-nonPC.pdb.gz costs 84.924 real_cost = 222.808 T0358.try15-opt2.gromacs0.pdb.gz costs 84.924 real_cost = 217.678 T0358.try15-opt1.pdb.gz costs 96.952 real_cost = 209.728 T0358.try15-opt1-scwrl.pdb.gz costs 96.952 real_cost = 206.676 T0358.try14-opt2.repack-nonPC.pdb.gz costs 92.752 real_cost = 224.983 T0358.try14-opt2.pdb.gz costs 88.182 real_cost = 215.600 T0358.try14-opt2.gromacs0.repack-nonPC.pdb.gz costs 86.759 real_cost = 220.624 T0358.try14-opt2.gromacs0.pdb.gz costs 86.759 real_cost = 214.335 T0358.try14-opt1.pdb.gz costs 89.359 real_cost = 216.459 T0358.try14-opt1-scwrl.pdb.gz costs 89.359 real_cost = 215.811 T0358.try13-opt2.repack-nonPC.pdb.gz costs 65.182 real_cost = 187.240 T0358.try13-opt2.pdb.gz costs 65.182 real_cost = 187.877 T0358.try13-opt2.gromacs0.repack-nonPC.pdb.gz costs 60.089 real_cost = 188.478 T0358.try13-opt2.gromacs0.pdb.gz costs 60.089 real_cost = 189.712 T0358.try13-opt1.pdb.gz costs 62.978 real_cost = 186.213 T0358.try13-opt1-scwrl.pdb.gz costs 62.978 real_cost = 179.081 T0358.try12-opt2.repack-nonPC.pdb.gz costs 91.954 real_cost = 218.711 T0358.try12-opt2.pdb.gz costs 91.954 real_cost = 217.277 T0358.try12-opt2.gromacs0.repack-nonPC.pdb.gz costs 85.720 real_cost = 219.298 T0358.try12-opt2.gromacs0.pdb.gz costs 85.720 real_cost = 216.487 T0358.try12-opt1.pdb.gz costs 92.762 real_cost = 212.238 T0358.try12-opt1-scwrl.pdb.gz costs 92.762 real_cost = 210.884 T0358.try11-opt2.repack-nonPC.pdb.gz costs 68.947 real_cost = 137.527 T0358.try11-opt2.pdb.gz costs 68.947 real_cost = 137.102 T0358.try11-opt2.gromacs0.repack-nonPC.pdb.gz costs 61.072 real_cost = 133.656 T0358.try11-opt2.gromacs0.pdb.gz costs 61.072 real_cost = 133.451 T0358.try11-opt1.pdb.gz costs 68.919 real_cost = 138.274 T0358.try11-opt1-scwrl.pdb.gz costs 68.919 real_cost = 131.355 T0358.try10-opt2.repack-nonPC.pdb.gz costs 108.440 real_cost = 214.888 T0358.try10-opt2.pdb.gz costs 108.440 real_cost = 211.787 T0358.try10-opt2.gromacs0.repack-nonPC.pdb.gz costs 85.547 real_cost = 223.134 T0358.try10-opt2.gromacs0.pdb.gz costs 85.547 real_cost = 216.873 T0358.try10-opt1.pdb.gz costs 91.190 real_cost = 213.517 T0358.try10-opt1-scwrl.pdb.gz costs 91.190 real_cost = 213.274 T0358.try1-opt2.repack-nonPC.pdb.gz costs 64.943 real_cost = 157.551 T0358.try1-opt2.pdb.gz costs 64.943 real_cost = 156.737 T0358.try1-opt2.gromacs0.repack-nonPC.pdb.gz costs 52.872 real_cost = 161.844 T0358.try1-opt2.gromacs0.pdb.gz costs 52.872 real_cost = 156.033 T0358.try1-opt1.pdb.gz costs 59.147 real_cost = 160.936 T0358.try1-opt1-scwrl.pdb.gz costs 59.147 real_cost = 159.930 ../model5.ts-submitted costs 68.947 real_cost = 137.096 ../model4.ts-submitted costs 73.822 real_cost = 139.870 ../model3.ts-submitted costs 58.572 real_cost = 139.382 ../model2.ts-submitted costs 75.846 real_cost = 158.069 ../model1.ts-submitted costs 80.123 real_cost = 177.152 align5 costs 83.713 real_cost = 267.160 align4 costs 96.711 real_cost = 317.025 align3 costs 78.992 real_cost = 121.143 align2 costs 73.481 real_cost = 190.190 align1 costs 96.878 real_cost = 267.073 T0358.try1-opt2.pdb costs 64.943 real_cost = 156.345 model5-scwrl costs 68.947 real_cost = 131.026 model5.ts-submitted costs 68.947 real_cost = 137.096 model4-scwrl costs 73.822 real_cost = 131.691 model4.ts-submitted costs 73.822 real_cost = 139.870 model3-scwrl costs 58.572 real_cost = 138.484 model3.ts-submitted costs 58.572 real_cost = 139.382 model2-scwrl costs 75.846 real_cost = 157.990 model2.ts-submitted costs 75.846 real_cost = 158.069 model1-scwrl costs 80.123 real_cost = 176.710 model1.ts-submitted costs 80.123 real_cost = 177.144 2hjjA costs 70.077 real_cost = -855.962 # command:CPU_time= 199.280 sec, elapsed time= 534.272 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/T0358'