make[1]: Entering directory `/projects/compbio/experiments/protein-predict/casp7/T0335' /projects/compbio/experiments/protein-predict/casp7/starter-directory/Make.main:725: SECONDARY_TARGET = T0335.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/T0335.} ;\ 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/T0335/ -e s/START_COL/1/ \ -e s/COSTFCN/anglevector/ \ -e s/_domain// \ -e s/read-pdb/read-pdb+servers/ \ -e s/REAL_PDB/2hepA/ \ < /projects/compbio/experiments/protein-predict/casp7/starter-directory/evaluate.under \ | nice -2 /cse/grads/jarchie/projects/cvs/karplus/undertaker/undertaker # command:# Seed set to 1183435986 # 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= 5.688 sec, elapsed time= 5.769 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= 5.770 sec, elapsed time= 5.872 sec. # command:# Prefix for input files set to # command:# Making conformation for sequence T0335 numbered 1 through 85 Created new target T0335 from T0335.a2m # command:# command:# No conformations to remove in PopConform # command:# cleared Id set # command:# command:2hepA expands to /projects/compbio/data/pdb/2hep.pdb.gz 2hepA: Read 42 residues and 334 atoms. # WARNING: incomplete conformation T0335 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= 8.157 sec, elapsed time= 8.342 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 77 # 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 = -76.190 # GDT_score(maxd=8.000,maxw=2.900)= -80.379 # GDT_score(maxd=8.000,maxw=3.200)= -76.331 # GDT_score(maxd=8.000,maxw=3.500)= -72.553 # GDT_score(maxd=10.000,maxw=3.800)= -75.132 # GDT_score(maxd=10.000,maxw=4.000)= -72.804 # GDT_score(maxd=10.000,maxw=4.200)= -70.620 # GDT_score(maxd=12.000,maxw=4.300)= -74.087 # GDT_score(maxd=12.000,maxw=4.500)= -71.953 # GDT_score(maxd=12.000,maxw=4.700)= -69.809 # GDT_score(maxd=14.000,maxw=5.200)= -68.401 # GDT_score(maxd=14.000,maxw=5.500)= -65.579 # command:# Prefix for output files set to # command:Warning: Couldn't open file T0335.model1-real.pdb for output Error: Couldn't open file T0335.model1-real.pdb for output superimposing iter= 0 total_weight= 502 rmsd (weighted)= 2.81744 (unweighted)= 16.3515 superimposing iter= 1 total_weight= 1034.19 rmsd (weighted)= 1.53051 (unweighted)= 16.2893 superimposing iter= 2 total_weight= 527.74 rmsd (weighted)= 1.18898 (unweighted)= 16.2641 superimposing iter= 3 total_weight= 443.255 rmsd (weighted)= 1.01367 (unweighted)= 16.2525 superimposing iter= 4 total_weight= 401.659 rmsd (weighted)= 0.908478 (unweighted)= 16.2202 superimposing iter= 5 total_weight= 378.176 rmsd (weighted)= 0.839328 (unweighted)= 16.1743 EXPDTA model1.ts-submitted MODEL 1 REMARK 44 REMARK 44 model 1 is called model1.ts-submitted ATOM 1 N MET A 1 5.228 -8.489 -16.969 1.00 0.00 ATOM 2 CA MET A 1 4.589 -7.444 -16.119 1.00 0.00 ATOM 3 CB MET A 1 3.355 -6.897 -16.805 1.00 0.00 ATOM 4 CG MET A 1 3.683 -6.078 -18.030 1.00 0.00 ATOM 5 SD MET A 1 2.127 -5.199 -18.388 1.00 0.00 ATOM 6 CE MET A 1 2.720 -4.533 -19.992 1.00 0.00 ATOM 7 O MET A 1 4.422 -9.327 -14.645 1.00 0.00 ATOM 8 C MET A 1 4.292 -8.077 -14.790 1.00 0.00 ATOM 9 N ILE A 2 4.081 -7.168 -13.820 1.00 0.00 ATOM 10 CA ILE A 2 3.761 -7.604 -12.437 1.00 0.00 ATOM 11 CB ILE A 2 3.671 -6.362 -11.563 1.00 0.00 ATOM 12 CG1 ILE A 2 3.706 -6.704 -10.061 1.00 0.00 ATOM 13 CG2 ILE A 2 2.332 -5.646 -11.763 1.00 0.00 ATOM 14 CD1 ILE A 2 4.034 -5.399 -9.321 1.00 0.00 ATOM 15 O ILE A 2 1.542 -8.275 -13.194 1.00 0.00 ATOM 16 C ILE A 2 2.473 -8.401 -12.410 1.00 0.00 ATOM 17 N SER A 3 2.476 -9.434 -11.576 1.00 0.00 ATOM 18 CA SER A 3 1.386 -10.392 -11.461 1.00 0.00 ATOM 19 CB SER A 3 1.806 -11.583 -10.599 1.00 0.00 ATOM 20 OG SER A 3 2.001 -11.193 -9.250 1.00 0.00 ATOM 21 O SER A 3 0.278 -8.727 -10.140 1.00 0.00 ATOM 22 C SER A 3 0.167 -9.747 -10.819 1.00 0.00 ATOM 23 N ASN A 4 -1.003 -10.340 -11.058 1.00 0.00 ATOM 24 CA ASN A 4 -2.223 -9.821 -10.489 1.00 0.00 ATOM 25 CB ASN A 4 -3.492 -10.511 -11.046 1.00 0.00 ATOM 26 CG ASN A 4 -3.754 -10.288 -12.511 1.00 0.00 ATOM 27 ND2 ASN A 4 -4.487 -11.190 -13.150 1.00 0.00 ATOM 28 OD1 ASN A 4 -3.292 -9.308 -13.086 1.00 0.00 ATOM 29 O ASN A 4 -2.743 -8.983 -8.323 1.00 0.00 ATOM 30 C ASN A 4 -2.176 -9.870 -8.985 1.00 0.00 ATOM 31 N ALA A 5 -1.564 -10.892 -8.393 1.00 0.00 ATOM 32 CA ALA A 5 -1.524 -10.961 -6.945 1.00 0.00 ATOM 33 CB ALA A 5 -0.905 -12.143 -6.387 1.00 0.00 ATOM 34 O ALA A 5 -1.179 -9.181 -5.368 1.00 0.00 ATOM 35 C ALA A 5 -0.734 -9.801 -6.340 1.00 0.00 ATOM 36 N LYS A 6 0.404 -9.468 -6.915 1.00 0.00 ATOM 37 CA LYS A 6 1.207 -8.365 -6.408 1.00 0.00 ATOM 38 CB LYS A 6 2.559 -8.260 -7.117 1.00 0.00 ATOM 39 CG LYS A 6 3.524 -9.385 -6.781 1.00 0.00 ATOM 40 CD LYS A 6 4.846 -9.215 -7.513 1.00 0.00 ATOM 41 CE LYS A 6 5.798 -10.359 -7.203 1.00 0.00 ATOM 42 NZ LYS A 6 7.089 -10.218 -7.931 1.00 0.00 ATOM 43 O LYS A 6 0.417 -6.232 -5.664 1.00 0.00 ATOM 44 C LYS A 6 0.433 -7.066 -6.568 1.00 0.00 ATOM 45 N ILE A 7 -0.243 -6.893 -7.717 1.00 0.00 ATOM 46 CA ILE A 7 -1.021 -5.686 -7.959 1.00 0.00 ATOM 47 CB ILE A 7 -1.605 -5.686 -9.380 1.00 0.00 ATOM 48 CG1 ILE A 7 -0.455 -5.617 -10.390 1.00 0.00 ATOM 49 CG2 ILE A 7 -2.557 -4.510 -9.558 1.00 0.00 ATOM 50 CD1 ILE A 7 -0.890 -5.624 -11.830 1.00 0.00 ATOM 51 O ILE A 7 -2.506 -4.495 -6.498 1.00 0.00 ATOM 52 C ILE A 7 -2.176 -5.586 -6.967 1.00 0.00 ATOM 53 N ALA A 8 -2.822 -6.710 -6.694 1.00 0.00 ATOM 54 CA ALA A 8 -3.937 -6.708 -5.751 1.00 0.00 ATOM 55 CB ALA A 8 -4.548 -8.093 -5.610 1.00 0.00 ATOM 56 O ALA A 8 -4.204 -5.576 -3.659 1.00 0.00 ATOM 57 C ALA A 8 -3.446 -6.236 -4.388 1.00 0.00 ATOM 58 N ARG A 9 -2.251 -6.633 -3.966 1.00 0.00 ATOM 59 CA ARG A 9 -1.765 -6.173 -2.668 1.00 0.00 ATOM 60 CB ARG A 9 -0.447 -6.880 -2.301 1.00 0.00 ATOM 61 CG ARG A 9 -0.604 -8.273 -1.720 1.00 0.00 ATOM 62 CD ARG A 9 0.460 -8.521 -0.657 1.00 0.00 ATOM 63 NE ARG A 9 1.811 -8.244 -1.142 1.00 0.00 ATOM 64 CZ ARG A 9 2.461 -8.998 -2.022 1.00 0.00 ATOM 65 NH1 ARG A 9 1.886 -10.082 -2.519 1.00 0.00 ATOM 66 NH2 ARG A 9 3.688 -8.670 -2.405 1.00 0.00 ATOM 67 O ARG A 9 -1.896 -3.968 -1.699 1.00 0.00 ATOM 68 C ARG A 9 -1.592 -4.643 -2.685 1.00 0.00 ATOM 69 N ILE A 10 -1.119 -4.102 -3.798 1.00 0.00 ATOM 70 CA ILE A 10 -0.958 -2.648 -3.927 1.00 0.00 ATOM 71 CB ILE A 10 -0.275 -2.271 -5.256 1.00 0.00 ATOM 72 CG1 ILE A 10 1.157 -2.807 -5.292 1.00 0.00 ATOM 73 CG2 ILE A 10 -0.229 -0.760 -5.419 1.00 0.00 ATOM 74 CD1 ILE A 10 2.047 -2.247 -4.204 1.00 0.00 ATOM 75 O ILE A 10 -2.490 -0.938 -3.204 1.00 0.00 ATOM 76 C ILE A 10 -2.336 -1.983 -3.860 1.00 0.00 ATOM 77 N ASN A 11 -3.321 -2.532 -4.576 1.00 0.00 ATOM 78 CA ASN A 11 -4.681 -1.998 -4.537 1.00 0.00 ATOM 79 CB ASN A 11 -5.591 -2.783 -5.483 1.00 0.00 ATOM 80 CG ASN A 11 -6.968 -2.159 -5.617 1.00 0.00 ATOM 81 ND2 ASN A 11 -7.993 -2.896 -5.198 1.00 0.00 ATOM 82 OD1 ASN A 11 -7.106 -1.031 -6.088 1.00 0.00 ATOM 83 O ASN A 11 -5.945 -1.147 -2.673 1.00 0.00 ATOM 84 C ASN A 11 -5.280 -2.084 -3.125 1.00 0.00 ATOM 85 N GLU A 12 -5.043 -3.178 -2.412 1.00 0.00 ATOM 86 CA GLU A 12 -5.524 -3.295 -1.025 1.00 0.00 ATOM 87 CB GLU A 12 -5.191 -4.694 -0.466 1.00 0.00 ATOM 88 CG GLU A 12 -6.091 -5.818 -0.963 1.00 0.00 ATOM 89 CD GLU A 12 -5.637 -7.212 -0.567 1.00 0.00 ATOM 90 OE1 GLU A 12 -4.453 -7.432 -0.256 1.00 0.00 ATOM 91 OE2 GLU A 12 -6.505 -8.116 -0.595 1.00 0.00 ATOM 92 O GLU A 12 -5.568 -1.568 0.633 1.00 0.00 ATOM 93 C GLU A 12 -4.872 -2.212 -0.154 1.00 0.00 ATOM 94 N LEU A 13 -3.570 -2.008 -0.332 1.00 0.00 ATOM 95 CA LEU A 13 -2.866 -0.978 0.431 1.00 0.00 ATOM 96 CB LEU A 13 -1.396 -0.962 0.149 1.00 0.00 ATOM 97 CG LEU A 13 -0.673 -2.280 0.462 1.00 0.00 ATOM 98 CD1 LEU A 13 0.819 -2.171 0.158 1.00 0.00 ATOM 99 CD2 LEU A 13 -0.887 -2.627 1.933 1.00 0.00 ATOM 100 O LEU A 13 -3.798 1.182 0.935 1.00 0.00 ATOM 101 C LEU A 13 -3.423 0.401 0.063 1.00 0.00 ATOM 102 N ALA A 14 -3.556 0.641 -1.237 1.00 0.00 ATOM 103 CA ALA A 14 -4.090 1.908 -1.715 1.00 0.00 ATOM 104 CB ALA A 14 -4.003 2.018 -3.240 1.00 0.00 ATOM 105 O ALA A 14 -5.915 3.196 -0.818 1.00 0.00 ATOM 106 C ALA A 14 -5.517 2.100 -1.262 1.00 0.00 ATOM 107 N ALA A 15 -6.287 1.021 -1.316 1.00 0.00 ATOM 108 CA ALA A 15 -7.661 1.032 -0.874 1.00 0.00 ATOM 109 CB ALA A 15 -8.268 -0.353 -1.021 1.00 0.00 ATOM 110 O ALA A 15 -8.493 2.335 0.958 1.00 0.00 ATOM 111 C ALA A 15 -7.743 1.402 0.590 1.00 0.00 ATOM 112 N LYS A 16 -6.821 0.913 1.410 1.00 0.00 ATOM 113 CA LYS A 16 -6.912 1.247 2.859 1.00 0.00 ATOM 114 CB LYS A 16 -6.167 0.161 3.687 1.00 0.00 ATOM 115 CG LYS A 16 -6.876 -1.169 3.779 1.00 0.00 ATOM 116 CD LYS A 16 -6.061 -2.169 4.600 1.00 0.00 ATOM 117 CE LYS A 16 -7.024 -3.282 5.023 1.00 0.00 ATOM 118 NZ LYS A 16 -6.405 -4.170 6.057 1.00 0.00 ATOM 119 O LYS A 16 -7.079 3.308 4.025 1.00 0.00 ATOM 120 C LYS A 16 -6.449 2.654 3.208 1.00 0.00 ATOM 121 N ALA A 17 -5.368 3.077 2.630 1.00 0.00 ATOM 122 CA ALA A 17 -4.880 4.427 2.852 1.00 0.00 ATOM 123 CB ALA A 17 -3.576 4.637 2.064 1.00 0.00 ATOM 124 O ALA A 17 -6.160 6.434 3.151 1.00 0.00 ATOM 125 C ALA A 17 -5.930 5.457 2.439 1.00 0.00 ATOM 126 N LYS A 18 -6.645 5.141 1.351 1.00 0.00 ATOM 127 CA LYS A 18 -7.705 6.004 0.829 1.00 0.00 ATOM 128 CB LYS A 18 -8.321 5.425 -0.445 1.00 0.00 ATOM 129 CG LYS A 18 -9.405 6.294 -1.062 1.00 0.00 ATOM 130 CD LYS A 18 -9.906 5.707 -2.371 1.00 0.00 ATOM 131 CE LYS A 18 -11.006 6.562 -2.977 1.00 0.00 ATOM 132 NZ LYS A 18 -11.522 5.988 -4.249 1.00 0.00 ATOM 133 O LYS A 18 -9.301 7.321 2.033 1.00 0.00 ATOM 134 C LYS A 18 -8.832 6.201 1.833 1.00 0.00 ATOM 135 N ALA A 19 -9.314 5.119 2.427 1.00 0.00 ATOM 136 CA ALA A 19 -10.410 5.174 3.354 1.00 0.00 ATOM 137 CB ALA A 19 -11.062 3.851 3.486 1.00 0.00 ATOM 138 O ALA A 19 -10.784 5.993 5.590 1.00 0.00 ATOM 139 C ALA A 19 -9.960 5.732 4.701 1.00 0.00 ATOM 140 N GLY A 20 -8.649 5.848 4.864 1.00 0.00 ATOM 141 CA GLY A 20 -8.137 6.344 6.131 1.00 0.00 ATOM 142 O GLY A 20 -8.167 5.720 8.446 1.00 0.00 ATOM 143 C GLY A 20 -8.166 5.329 7.267 1.00 0.00 ATOM 144 N VAL A 21 -8.209 4.043 6.957 1.00 0.00 ATOM 145 CA VAL A 21 -8.247 3.062 8.023 1.00 0.00 ATOM 146 CB VAL A 21 -9.154 1.866 7.676 1.00 0.00 ATOM 147 CG1 VAL A 21 -10.581 2.334 7.425 1.00 0.00 ATOM 148 CG2 VAL A 21 -8.652 1.162 6.426 1.00 0.00 ATOM 149 O VAL A 21 -6.783 1.861 9.516 1.00 0.00 ATOM 150 C VAL A 21 -6.892 2.461 8.418 1.00 0.00 ATOM 151 N ILE A 22 -5.853 2.692 7.617 1.00 0.00 ATOM 152 CA ILE A 22 -4.527 2.177 7.943 1.00 0.00 ATOM 153 CB ILE A 22 -3.599 2.250 6.732 1.00 0.00 ATOM 154 CG1 ILE A 22 -3.509 3.690 6.214 1.00 0.00 ATOM 155 CG2 ILE A 22 -4.117 1.320 5.640 1.00 0.00 ATOM 156 CD1 ILE A 22 -2.449 3.908 5.137 1.00 0.00 ATOM 157 O ILE A 22 -4.261 4.135 9.334 1.00 0.00 ATOM 158 C ILE A 22 -3.925 2.968 9.083 1.00 0.00 ATOM 159 N THR A 23 -2.935 2.374 9.753 1.00 0.00 ATOM 160 CA THR A 23 -2.227 2.991 10.855 1.00 0.00 ATOM 161 CB THR A 23 -1.593 1.968 11.859 1.00 0.00 ATOM 162 CG2 THR A 23 -2.605 1.035 12.365 1.00 0.00 ATOM 163 OG1 THR A 23 -0.548 1.256 11.200 1.00 0.00 ATOM 164 O THR A 23 -0.974 4.024 9.078 1.00 0.00 ATOM 165 C THR A 23 -1.147 3.905 10.301 1.00 0.00 ATOM 166 N GLU A 24 -0.494 4.630 11.197 1.00 0.00 ATOM 167 CA GLU A 24 0.545 5.565 10.807 1.00 0.00 ATOM 168 CB GLU A 24 1.075 6.313 12.032 1.00 0.00 ATOM 169 CG GLU A 24 0.079 7.280 12.650 1.00 0.00 ATOM 170 CD GLU A 24 0.583 7.895 13.940 1.00 0.00 ATOM 171 OE1 GLU A 24 1.686 7.512 14.387 1.00 0.00 ATOM 172 OE2 GLU A 24 -0.120 8.759 14.501 1.00 0.00 ATOM 173 O GLU A 24 2.084 5.292 9.021 1.00 0.00 ATOM 174 C GLU A 24 1.726 4.887 10.126 1.00 0.00 ATOM 175 N GLU A 25 1.993 3.804 10.783 1.00 0.00 ATOM 176 CA GLU A 25 3.001 2.880 10.278 1.00 0.00 ATOM 177 CB GLU A 25 3.330 1.828 11.326 1.00 0.00 ATOM 178 CG GLU A 25 3.880 2.416 12.623 1.00 0.00 ATOM 179 CD GLU A 25 5.225 3.104 12.444 1.00 0.00 ATOM 180 OE1 GLU A 25 5.682 3.775 13.396 1.00 0.00 ATOM 181 OE2 GLU A 25 5.830 2.972 11.357 1.00 0.00 ATOM 182 O GLU A 25 3.302 2.069 8.054 1.00 0.00 ATOM 183 C GLU A 25 2.535 2.206 8.993 1.00 0.00 ATOM 184 N GLU A 26 1.262 1.890 8.944 1.00 0.00 ATOM 185 CA GLU A 26 0.730 1.199 7.774 1.00 0.00 ATOM 186 CB GLU A 26 -0.651 0.583 8.131 1.00 0.00 ATOM 187 CG GLU A 26 -1.264 -0.312 7.076 1.00 0.00 ATOM 188 CD GLU A 26 -2.576 -0.929 7.525 1.00 0.00 ATOM 189 OE1 GLU A 26 -2.924 -0.811 8.718 1.00 0.00 ATOM 190 OE2 GLU A 26 -3.259 -1.531 6.671 1.00 0.00 ATOM 191 O GLU A 26 0.990 1.673 5.430 1.00 0.00 ATOM 192 C GLU A 26 0.749 2.120 6.556 1.00 0.00 ATOM 193 N LYS A 27 0.480 3.405 6.781 1.00 0.00 ATOM 194 CA LYS A 27 0.478 4.384 5.698 1.00 0.00 ATOM 195 CB LYS A 27 0.169 5.761 6.146 1.00 0.00 ATOM 196 CG LYS A 27 -1.096 5.896 6.962 1.00 0.00 ATOM 197 CD LYS A 27 -1.581 7.343 7.093 1.00 0.00 ATOM 198 CE LYS A 27 -3.097 7.480 7.105 1.00 0.00 ATOM 199 NZ LYS A 27 -3.621 8.111 8.329 1.00 0.00 ATOM 200 O LYS A 27 2.040 4.527 3.867 1.00 0.00 ATOM 201 C LYS A 27 1.881 4.485 5.099 1.00 0.00 ATOM 202 N ALA A 28 2.887 4.452 5.967 1.00 0.00 ATOM 203 CA ALA A 28 4.291 4.505 5.518 1.00 0.00 ATOM 204 CB ALA A 28 5.211 4.613 6.726 1.00 0.00 ATOM 205 O ALA A 28 5.248 3.358 3.647 1.00 0.00 ATOM 206 C ALA A 28 4.628 3.260 4.704 1.00 0.00 ATOM 207 N GLU A 29 4.238 2.091 5.206 1.00 0.00 ATOM 208 CA GLU A 29 4.503 0.833 4.519 1.00 0.00 ATOM 209 CB GLU A 29 4.118 -0.360 5.302 1.00 0.00 ATOM 210 CG GLU A 29 4.956 -0.504 6.572 1.00 0.00 ATOM 211 CD GLU A 29 6.445 -0.472 6.257 1.00 0.00 ATOM 212 OE1 GLU A 29 6.814 -1.320 5.410 1.00 0.00 ATOM 213 OE2 GLU A 29 7.174 0.382 6.790 1.00 0.00 ATOM 214 O GLU A 29 4.363 0.419 2.164 1.00 0.00 ATOM 215 C GLU A 29 3.785 0.799 3.179 1.00 0.00 ATOM 216 N GLN A 30 2.538 1.262 3.168 1.00 0.00 ATOM 217 CA GLN A 30 1.761 1.289 1.942 1.00 0.00 ATOM 218 CB GLN A 30 0.289 1.582 2.252 1.00 0.00 ATOM 219 CG GLN A 30 -0.357 0.473 3.093 1.00 0.00 ATOM 220 CD GLN A 30 -1.861 0.625 3.248 1.00 0.00 ATOM 221 OE1 GLN A 30 -2.412 1.718 3.086 1.00 0.00 ATOM 222 NE2 GLN A 30 -2.533 -0.472 3.582 1.00 0.00 ATOM 223 O GLN A 30 2.337 2.071 -0.276 1.00 0.00 ATOM 224 C GLN A 30 2.325 2.307 0.946 1.00 0.00 ATOM 225 N GLN A 31 2.815 3.448 1.447 1.00 0.00 ATOM 226 CA GLN A 31 3.395 4.468 0.579 1.00 0.00 ATOM 227 CB GLN A 31 3.870 5.674 1.392 1.00 0.00 ATOM 228 CG GLN A 31 4.491 6.782 0.555 1.00 0.00 ATOM 229 CD GLN A 31 4.914 7.976 1.387 1.00 0.00 ATOM 230 OE1 GLN A 31 4.718 7.996 2.603 1.00 0.00 ATOM 231 NE2 GLN A 31 5.497 8.974 0.736 1.00 0.00 ATOM 232 O GLN A 31 4.838 4.113 -1.330 1.00 0.00 ATOM 233 C GLN A 31 4.645 3.905 -0.125 1.00 0.00 ATOM 234 N LYS A 32 5.510 3.310 0.662 1.00 0.00 ATOM 235 CA LYS A 32 6.725 2.712 0.113 1.00 0.00 ATOM 236 CB LYS A 32 7.604 2.167 1.220 1.00 0.00 ATOM 237 CG LYS A 32 8.097 3.224 2.180 1.00 0.00 ATOM 238 CD LYS A 32 8.902 2.585 3.290 1.00 0.00 ATOM 239 CE LYS A 32 9.226 3.583 4.385 1.00 0.00 ATOM 240 NZ LYS A 32 10.032 2.951 5.466 1.00 0.00 ATOM 241 O LYS A 32 6.973 1.507 -1.970 1.00 0.00 ATOM 242 C LYS A 32 6.350 1.626 -0.914 1.00 0.00 ATOM 243 N LEU A 33 5.273 0.865 -0.612 1.00 0.00 ATOM 244 CA LEU A 33 4.810 -0.133 -1.548 1.00 0.00 ATOM 245 CB LEU A 33 3.712 -1.029 -0.931 1.00 0.00 ATOM 246 CG LEU A 33 4.259 -1.999 0.130 1.00 0.00 ATOM 247 CD1 LEU A 33 3.126 -2.478 0.991 1.00 0.00 ATOM 248 CD2 LEU A 33 5.061 -3.197 -0.476 1.00 0.00 ATOM 249 O LEU A 33 4.689 0.069 -3.936 1.00 0.00 ATOM 250 C LEU A 33 4.331 0.513 -2.845 1.00 0.00 ATOM 251 N ARG A 34 3.637 1.636 -2.731 1.00 0.00 ATOM 252 CA ARG A 34 3.137 2.321 -3.914 1.00 0.00 ATOM 253 CB ARG A 34 2.266 3.513 -3.515 1.00 0.00 ATOM 254 CG ARG A 34 0.919 3.130 -2.924 1.00 0.00 ATOM 255 CD ARG A 34 0.140 4.358 -2.485 1.00 0.00 ATOM 256 NE ARG A 34 -1.147 4.007 -1.888 1.00 0.00 ATOM 257 CZ ARG A 34 -1.989 4.885 -1.356 1.00 0.00 ATOM 258 NH1 ARG A 34 -3.136 4.472 -0.837 1.00 0.00 ATOM 259 NH2 ARG A 34 -1.681 6.175 -1.346 1.00 0.00 ATOM 260 O ARG A 34 4.181 2.814 -6.014 1.00 0.00 ATOM 261 C ARG A 34 4.261 2.869 -4.792 1.00 0.00 ATOM 262 N GLN A 35 5.278 3.451 -4.169 1.00 0.00 ATOM 263 CA GLN A 35 6.391 4.017 -4.921 1.00 0.00 ATOM 264 CB GLN A 35 7.403 4.664 -3.974 1.00 0.00 ATOM 265 CG GLN A 35 6.918 5.951 -3.327 1.00 0.00 ATOM 266 CD GLN A 35 7.901 6.501 -2.312 1.00 0.00 ATOM 267 OE1 GLN A 35 8.918 5.872 -2.017 1.00 0.00 ATOM 268 NE2 GLN A 35 7.600 7.677 -1.776 1.00 0.00 ATOM 269 O GLN A 35 7.331 3.118 -6.940 1.00 0.00 ATOM 270 C GLN A 35 7.095 2.942 -5.745 1.00 0.00 ATOM 271 N GLU A 36 7.434 1.822 -5.118 1.00 0.00 ATOM 272 CA GLU A 36 8.116 0.756 -5.845 1.00 0.00 ATOM 273 CB GLU A 36 8.495 -0.377 -4.890 1.00 0.00 ATOM 274 CG GLU A 36 9.577 -0.008 -3.886 1.00 0.00 ATOM 275 CD GLU A 36 9.841 -1.110 -2.883 1.00 0.00 ATOM 276 OE1 GLU A 36 9.130 -2.137 -2.926 1.00 0.00 ATOM 277 OE2 GLU A 36 10.760 -0.950 -2.051 1.00 0.00 ATOM 278 O GLU A 36 7.707 -0.102 -8.029 1.00 0.00 ATOM 279 C GLU A 36 7.230 0.195 -6.941 1.00 0.00 ATOM 280 N TYR A 37 5.960 0.022 -6.635 1.00 0.00 ATOM 281 CA TYR A 37 4.997 -0.491 -7.612 1.00 0.00 ATOM 282 CB TYR A 37 3.612 -0.574 -7.015 1.00 0.00 ATOM 283 CG TYR A 37 2.555 -1.008 -8.000 1.00 0.00 ATOM 284 CD1 TYR A 37 2.547 -2.302 -8.517 1.00 0.00 ATOM 285 CD2 TYR A 37 1.576 -0.118 -8.437 1.00 0.00 ATOM 286 CE1 TYR A 37 1.590 -2.700 -9.448 1.00 0.00 ATOM 287 CE2 TYR A 37 0.615 -0.504 -9.366 1.00 0.00 ATOM 288 CZ TYR A 37 0.629 -1.796 -9.869 1.00 0.00 ATOM 289 OH TYR A 37 -0.312 -2.182 -10.798 1.00 0.00 ATOM 290 O TYR A 37 4.889 -0.021 -9.972 1.00 0.00 ATOM 291 C TYR A 37 4.899 0.426 -8.825 1.00 0.00 ATOM 292 N LEU A 38 4.868 1.739 -8.584 1.00 0.00 ATOM 293 CA LEU A 38 4.795 2.706 -9.677 1.00 0.00 ATOM 294 CB LEU A 38 4.701 4.132 -9.131 1.00 0.00 ATOM 295 CG LEU A 38 4.647 5.255 -10.167 1.00 0.00 ATOM 296 CD1 LEU A 38 3.412 5.115 -11.048 1.00 0.00 ATOM 297 CD2 LEU A 38 4.593 6.614 -9.490 1.00 0.00 ATOM 298 O LEU A 38 5.922 2.399 -11.781 1.00 0.00 ATOM 299 C LEU A 38 6.045 2.589 -10.562 1.00 0.00 ATOM 300 N LYS A 39 7.192 2.619 -9.941 1.00 0.00 ATOM 301 CA LYS A 39 8.450 2.482 -10.710 1.00 0.00 ATOM 302 CB LYS A 39 9.664 2.474 -9.820 1.00 0.00 ATOM 303 CG LYS A 39 11.012 2.442 -10.585 1.00 0.00 ATOM 304 CD LYS A 39 12.136 2.884 -9.637 1.00 0.00 ATOM 305 CE LYS A 39 13.482 2.994 -10.316 1.00 0.00 ATOM 306 NZ LYS A 39 14.579 2.871 -9.310 1.00 0.00 ATOM 307 O LYS A 39 8.840 1.097 -12.634 1.00 0.00 ATOM 308 C LYS A 39 8.546 1.144 -11.442 1.00 0.00 ATOM 309 N GLY A 40 8.221 0.061 -10.740 1.00 0.00 ATOM 310 CA GLY A 40 8.287 -1.257 -11.334 1.00 0.00 ATOM 311 O GLY A 40 7.547 -2.140 -13.463 1.00 0.00 ATOM 312 C GLY A 40 7.311 -1.475 -12.443 1.00 0.00 ATOM 313 N PHE A 41 6.085 -0.892 -12.299 1.00 0.00 ATOM 314 CA PHE A 41 5.058 -1.000 -13.310 1.00 0.00 ATOM 315 CB PHE A 41 3.776 -0.308 -12.844 1.00 0.00 ATOM 316 CG PHE A 41 2.659 -0.361 -13.850 1.00 0.00 ATOM 317 CD1 PHE A 41 1.893 -1.503 -13.994 1.00 0.00 ATOM 318 CD2 PHE A 41 2.378 0.733 -14.650 1.00 0.00 ATOM 319 CE1 PHE A 41 0.868 -1.552 -14.920 1.00 0.00 ATOM 320 CE2 PHE A 41 1.353 0.684 -15.574 1.00 0.00 ATOM 321 CZ PHE A 41 0.600 -0.451 -15.713 1.00 0.00 ATOM 322 O PHE A 41 5.389 -0.908 -15.690 1.00 0.00 ATOM 323 C PHE A 41 5.512 -0.334 -14.606 1.00 0.00 ATOM 324 N ARG A 42 6.017 0.877 -14.471 1.00 0.00 ATOM 325 CA ARG A 42 6.503 1.625 -15.624 1.00 0.00 ATOM 326 CB ARG A 42 7.099 2.937 -15.236 1.00 0.00 ATOM 327 CG ARG A 42 7.319 3.895 -16.353 1.00 0.00 ATOM 328 CD ARG A 42 7.792 5.218 -15.778 1.00 0.00 ATOM 329 NE ARG A 42 6.872 5.761 -14.762 1.00 0.00 ATOM 330 CZ ARG A 42 5.819 6.490 -15.067 1.00 0.00 ATOM 331 NH1 ARG A 42 5.577 6.755 -16.333 1.00 0.00 ATOM 332 NH2 ARG A 42 4.969 6.910 -14.109 1.00 0.00 ATOM 333 O ARG A 42 7.619 0.706 -17.558 1.00 0.00 ATOM 334 C ARG A 42 7.605 0.834 -16.333 1.00 0.00 ATOM 335 N SER A 43 8.518 0.304 -15.536 1.00 0.00 ATOM 336 CA SER A 43 9.647 -0.473 -16.015 1.00 0.00 ATOM 337 CB SER A 43 10.516 -0.937 -14.846 1.00 0.00 ATOM 338 OG SER A 43 11.153 0.162 -14.218 1.00 0.00 ATOM 339 O SER A 43 9.630 -1.928 -17.918 1.00 0.00 ATOM 340 C SER A 43 9.231 -1.736 -16.763 1.00 0.00 ATOM 341 N SER A 44 8.324 -2.512 -16.185 1.00 0.00 ATOM 342 CA SER A 44 7.888 -3.751 -16.820 1.00 0.00 ATOM 343 CB SER A 44 7.132 -4.624 -15.769 1.00 0.00 ATOM 344 OG SER A 44 5.925 -4.056 -15.384 1.00 0.00 ATOM 345 O SER A 44 7.053 -4.316 -19.020 1.00 0.00 ATOM 346 C SER A 44 7.024 -3.523 -18.072 1.00 0.00 ATOM 347 N MET A 45 6.302 -2.440 -18.061 1.00 0.00 ATOM 348 CA MET A 45 5.469 -2.099 -19.212 1.00 0.00 ATOM 349 CB MET A 45 4.568 -0.893 -18.939 1.00 0.00 ATOM 350 CG MET A 45 3.918 -0.326 -20.229 1.00 0.00 ATOM 351 SD MET A 45 2.966 1.169 -19.914 1.00 0.00 ATOM 352 CE MET A 45 1.526 0.480 -19.145 1.00 0.00 ATOM 353 O MET A 45 6.179 -2.335 -21.482 1.00 0.00 ATOM 354 C MET A 45 6.392 -1.812 -20.394 1.00 0.00 ATOM 355 N LYS A 46 7.403 -0.970 -20.186 1.00 0.00 ATOM 356 CA LYS A 46 8.351 -0.620 -21.247 1.00 0.00 ATOM 357 CB LYS A 46 9.368 0.407 -20.745 1.00 0.00 ATOM 358 CG LYS A 46 8.791 1.795 -20.526 1.00 0.00 ATOM 359 CD LYS A 46 9.854 2.762 -20.027 1.00 0.00 ATOM 360 CE LYS A 46 9.271 4.144 -19.786 1.00 0.00 ATOM 361 NZ LYS A 46 10.295 5.095 -19.266 1.00 0.00 ATOM 362 O LYS A 46 9.299 -2.113 -22.881 1.00 0.00 ATOM 363 C LYS A 46 9.107 -1.885 -21.687 1.00 0.00 ATOM 364 N ASN A 47 9.438 -2.751 -20.734 1.00 0.00 ATOM 365 CA ASN A 47 10.153 -3.991 -21.059 1.00 0.00 ATOM 366 CB ASN A 47 10.506 -4.753 -19.780 1.00 0.00 ATOM 367 CG ASN A 47 11.627 -4.096 -19.000 1.00 0.00 ATOM 368 ND2 ASN A 47 11.732 -4.436 -17.720 1.00 0.00 ATOM 369 OD1 ASN A 47 12.386 -3.292 -19.542 1.00 0.00 ATOM 370 O ASN A 47 9.886 -5.508 -22.905 1.00 0.00 ATOM 371 C ASN A 47 9.359 -4.968 -21.928 1.00 0.00 ATOM 372 N THR A 48 8.110 -5.228 -21.542 1.00 0.00 ATOM 373 CA THR A 48 7.251 -6.157 -22.275 1.00 0.00 ATOM 374 CB THR A 48 6.343 -6.951 -21.285 1.00 0.00 ATOM 375 CG2 THR A 48 7.175 -7.774 -20.295 1.00 0.00 ATOM 376 OG1 THR A 48 5.543 -6.011 -20.558 1.00 0.00 ATOM 377 O THR A 48 5.562 -6.138 -23.983 1.00 0.00 ATOM 378 C THR A 48 6.420 -5.489 -23.336 1.00 0.00 ATOM 379 N LEU A 49 6.646 -4.177 -23.582 1.00 0.00 ATOM 380 CA LEU A 49 5.821 -3.503 -24.615 1.00 0.00 ATOM 381 CB LEU A 49 6.223 -2.121 -24.959 1.00 0.00 ATOM 382 CG LEU A 49 5.823 -1.068 -23.914 1.00 0.00 ATOM 383 CD1 LEU A 49 6.621 0.210 -24.124 1.00 0.00 ATOM 384 CD2 LEU A 49 4.344 -0.738 -23.989 1.00 0.00 ATOM 385 O LEU A 49 4.777 -4.478 -26.547 1.00 0.00 ATOM 386 C LEU A 49 5.833 -4.222 -25.963 1.00 0.00 ATOM 387 N LYS A 50 7.030 -4.515 -26.470 1.00 0.00 ATOM 388 CA LYS A 50 7.151 -5.194 -27.749 1.00 0.00 ATOM 389 CB LYS A 50 8.598 -5.410 -28.128 1.00 0.00 ATOM 390 CG LYS A 50 9.309 -4.120 -28.480 1.00 0.00 ATOM 391 CD LYS A 50 10.759 -4.364 -28.858 1.00 0.00 ATOM 392 CE LYS A 50 11.464 -3.062 -29.181 1.00 0.00 ATOM 393 NZ LYS A 50 12.891 -3.291 -29.529 1.00 0.00 ATOM 394 O LYS A 50 5.816 -6.976 -28.629 1.00 0.00 ATOM 395 C LYS A 50 6.545 -6.579 -27.714 1.00 0.00 ATOM 396 N SER A 51 6.925 -7.343 -26.702 1.00 0.00 ATOM 397 CA SER A 51 6.435 -8.695 -26.503 1.00 0.00 ATOM 398 CB SER A 51 7.448 -9.703 -27.078 1.00 0.00 ATOM 399 OG SER A 51 7.088 -11.014 -26.712 1.00 0.00 ATOM 400 O SER A 51 6.966 -8.811 -24.166 1.00 0.00 ATOM 401 C SER A 51 6.086 -8.711 -25.020 1.00 0.00 ATOM 402 N VAL A 52 4.757 -8.530 -24.627 1.00 0.00 ATOM 403 CA VAL A 52 4.340 -8.446 -23.234 1.00 0.00 ATOM 404 CB VAL A 52 3.259 -7.360 -23.004 1.00 0.00 ATOM 405 CG1 VAL A 52 2.899 -7.279 -21.516 1.00 0.00 ATOM 406 CG2 VAL A 52 3.761 -6.008 -23.486 1.00 0.00 ATOM 407 O VAL A 52 2.551 -10.002 -22.957 1.00 0.00 ATOM 408 C VAL A 52 3.717 -9.716 -22.654 1.00 0.00 ATOM 409 N LYS A 53 4.398 -10.210 -21.688 1.00 0.00 ATOM 410 CA LYS A 53 3.891 -11.381 -20.993 1.00 0.00 ATOM 411 CB LYS A 53 4.954 -12.548 -21.069 1.00 0.00 ATOM 412 CG LYS A 53 4.387 -13.878 -20.591 1.00 0.00 ATOM 413 CD LYS A 53 5.128 -15.055 -21.095 1.00 0.00 ATOM 414 CE LYS A 53 6.404 -15.109 -20.390 1.00 0.00 ATOM 415 NZ LYS A 53 6.888 -16.628 -20.156 1.00 0.00 ATOM 416 O LYS A 53 4.446 -10.572 -18.837 1.00 0.00 ATOM 417 C LYS A 53 3.567 -11.018 -19.566 1.00 0.00 ATOM 418 N ILE A 54 2.290 -11.105 -19.206 1.00 0.00 ATOM 419 CA ILE A 54 1.866 -10.776 -17.856 1.00 0.00 ATOM 420 CB ILE A 54 0.778 -9.708 -17.873 1.00 0.00 ATOM 421 CG1 ILE A 54 1.279 -8.492 -18.671 1.00 0.00 ATOM 422 CG2 ILE A 54 0.413 -9.329 -16.436 1.00 0.00 ATOM 423 CD1 ILE A 54 0.202 -7.491 -19.001 1.00 0.00 ATOM 424 O ILE A 54 0.166 -12.436 -17.508 1.00 0.00 ATOM 425 C ILE A 54 1.281 -12.026 -17.200 1.00 0.00 ATOM 426 N ILE A 55 1.865 -12.499 -16.211 1.00 0.00 ATOM 427 CA ILE A 55 1.402 -13.740 -15.592 1.00 0.00 ATOM 428 CB ILE A 55 2.458 -14.884 -15.738 1.00 0.00 ATOM 429 CG1 ILE A 55 2.975 -14.962 -17.201 1.00 0.00 ATOM 430 CG2 ILE A 55 1.882 -16.208 -15.261 1.00 0.00 ATOM 431 CD1 ILE A 55 4.110 -16.003 -17.372 1.00 0.00 ATOM 432 O ILE A 55 1.936 -12.804 -13.460 1.00 0.00 ATOM 433 C ILE A 55 1.103 -13.403 -14.141 1.00 0.00 ATOM 434 N ASP A 56 -0.140 -13.584 -13.724 1.00 0.00 ATOM 435 CA ASP A 56 -0.534 -13.303 -12.352 1.00 0.00 ATOM 436 CB ASP A 56 -2.048 -13.019 -12.254 1.00 0.00 ATOM 437 CG ASP A 56 -2.911 -14.177 -12.723 1.00 0.00 ATOM 438 OD1 ASP A 56 -2.458 -15.328 -12.666 1.00 0.00 ATOM 439 OD2 ASP A 56 -4.063 -13.924 -13.132 1.00 0.00 ATOM 440 O ASP A 56 0.305 -15.509 -11.930 1.00 0.00 ATOM 441 C ASP A 56 -0.139 -14.467 -11.447 1.00 0.00 ATOM 442 N PRO A 57 -0.201 -14.407 -10.157 1.00 0.00 ATOM 443 CA PRO A 57 0.156 -15.514 -9.265 1.00 0.00 ATOM 444 CB PRO A 57 -0.158 -15.016 -7.894 1.00 0.00 ATOM 445 CG PRO A 57 -1.338 -14.187 -8.105 1.00 0.00 ATOM 446 CD PRO A 57 -1.069 -13.439 -9.429 1.00 0.00 ATOM 447 O PRO A 57 -0.348 -17.848 -9.064 1.00 0.00 ATOM 448 C PRO A 57 -0.717 -16.745 -9.467 1.00 0.00 ATOM 449 N GLU A 58 -1.950 -16.590 -10.109 1.00 0.00 ATOM 450 CA GLU A 58 -2.869 -17.696 -10.362 1.00 0.00 ATOM 451 CB GLU A 58 -4.217 -17.159 -10.826 1.00 0.00 ATOM 452 CG GLU A 58 -5.059 -16.542 -9.702 1.00 0.00 ATOM 453 CD GLU A 58 -5.336 -17.481 -8.568 1.00 0.00 ATOM 454 OE1 GLU A 58 -5.685 -18.640 -8.850 1.00 0.00 ATOM 455 OE2 GLU A 58 -5.223 -17.014 -7.381 1.00 0.00 ATOM 456 O GLU A 58 -3.023 -19.473 -11.992 1.00 0.00 ATOM 457 C GLU A 58 -2.427 -18.458 -11.603 1.00 0.00 ATOM 458 N GLY A 59 -1.304 -18.021 -12.186 1.00 0.00 ATOM 459 CA GLY A 59 -0.808 -18.774 -13.306 1.00 0.00 ATOM 460 O GLY A 59 -1.194 -18.737 -15.642 1.00 0.00 ATOM 461 C GLY A 59 -1.446 -18.223 -14.560 1.00 0.00 ATOM 462 N ASN A 60 -2.411 -17.174 -14.438 1.00 0.00 ATOM 463 CA ASN A 60 -3.147 -16.658 -15.576 1.00 0.00 ATOM 464 CB ASN A 60 -4.522 -16.160 -15.108 1.00 0.00 ATOM 465 CG ASN A 60 -5.357 -17.265 -14.468 1.00 0.00 ATOM 466 ND2 ASN A 60 -5.892 -16.997 -13.283 1.00 0.00 ATOM 467 OD1 ASN A 60 -5.514 -18.346 -15.038 1.00 0.00 ATOM 468 O ASN A 60 -1.655 -14.797 -15.836 1.00 0.00 ATOM 469 C ASN A 60 -2.393 -15.612 -16.393 1.00 0.00 ATOM 470 N ASP A 61 -2.561 -15.654 -17.713 1.00 0.00 ATOM 471 CA ASP A 61 -1.889 -14.717 -18.609 1.00 0.00 ATOM 472 CB ASP A 61 -1.440 -15.418 -19.890 1.00 0.00 ATOM 473 CG ASP A 61 -0.289 -16.377 -19.656 1.00 0.00 ATOM 474 OD1 ASP A 61 0.326 -16.317 -18.569 1.00 0.00 ATOM 475 OD2 ASP A 61 -0.001 -17.192 -20.557 1.00 0.00 ATOM 476 O ASP A 61 -3.929 -13.833 -19.511 1.00 0.00 ATOM 477 C ASP A 61 -2.815 -13.587 -19.044 1.00 0.00 ATOM 478 N VAL A 62 -2.369 -12.350 -18.850 1.00 0.00 ATOM 479 CA VAL A 62 -3.161 -11.181 -19.223 1.00 0.00 ATOM 480 CB VAL A 62 -3.678 -10.459 -17.978 1.00 0.00 ATOM 481 CG1 VAL A 62 -4.437 -11.423 -17.056 1.00 0.00 ATOM 482 CG2 VAL A 62 -2.495 -9.841 -17.247 1.00 0.00 ATOM 483 O VAL A 62 -1.118 -10.317 -20.102 1.00 0.00 ATOM 484 C VAL A 62 -2.344 -10.351 -20.204 1.00 0.00 ATOM 485 N THR A 63 -3.045 -9.704 -21.146 1.00 0.00 ATOM 486 CA THR A 63 -2.335 -8.885 -22.127 1.00 0.00 ATOM 487 CB THR A 63 -3.209 -8.649 -23.381 1.00 0.00 ATOM 488 CG2 THR A 63 -3.736 -9.931 -23.984 1.00 0.00 ATOM 489 OG1 THR A 63 -4.346 -7.823 -23.006 1.00 0.00 ATOM 490 O THR A 63 -2.624 -7.164 -20.467 1.00 0.00 ATOM 491 C THR A 63 -2.053 -7.526 -21.502 1.00 0.00 ATOM 492 N PRO A 64 -1.029 -6.862 -22.037 1.00 0.00 ATOM 493 CA PRO A 64 -0.615 -5.550 -21.571 1.00 0.00 ATOM 494 CB PRO A 64 0.462 -5.125 -22.574 1.00 0.00 ATOM 495 CG PRO A 64 0.207 -5.975 -23.776 1.00 0.00 ATOM 496 CD PRO A 64 -0.306 -7.288 -23.256 1.00 0.00 ATOM 497 O PRO A 64 -2.079 -3.866 -20.664 1.00 0.00 ATOM 498 C PRO A 64 -1.823 -4.605 -21.611 1.00 0.00 ATOM 499 N GLU A 65 -2.672 -4.781 -22.612 1.00 0.00 ATOM 500 CA GLU A 65 -3.858 -3.961 -22.769 1.00 0.00 ATOM 501 CB GLU A 65 -4.547 -4.202 -24.079 1.00 0.00 ATOM 502 CG GLU A 65 -3.777 -3.631 -25.254 1.00 0.00 ATOM 503 CD GLU A 65 -3.453 -2.163 -25.063 1.00 0.00 ATOM 504 OE1 GLU A 65 -4.399 -1.364 -24.879 1.00 0.00 ATOM 505 OE2 GLU A 65 -2.258 -1.806 -25.095 1.00 0.00 ATOM 506 O GLU A 65 -5.428 -3.279 -21.093 1.00 0.00 ATOM 507 C GLU A 65 -4.911 -4.217 -21.697 1.00 0.00 ATOM 508 N LYS A 66 -5.228 -5.475 -21.486 1.00 0.00 ATOM 509 CA LYS A 66 -6.231 -5.834 -20.494 1.00 0.00 ATOM 510 CB LYS A 66 -6.585 -7.330 -20.618 1.00 0.00 ATOM 511 CG LYS A 66 -7.393 -7.663 -21.860 1.00 0.00 ATOM 512 CD LYS A 66 -7.385 -9.144 -22.184 1.00 0.00 ATOM 513 CE LYS A 66 -8.240 -9.968 -21.239 1.00 0.00 ATOM 514 NZ LYS A 66 -7.998 -11.430 -21.421 1.00 0.00 ATOM 515 O LYS A 66 -6.602 -4.978 -18.281 1.00 0.00 ATOM 516 C LYS A 66 -5.794 -5.432 -19.091 1.00 0.00 ATOM 517 N LEU A 67 -4.505 -5.588 -18.800 1.00 0.00 ATOM 518 CA LEU A 67 -3.955 -5.225 -17.502 1.00 0.00 ATOM 519 CB LEU A 67 -2.509 -5.790 -17.380 1.00 0.00 ATOM 520 CG LEU A 67 -1.820 -5.439 -16.054 1.00 0.00 ATOM 521 CD1 LEU A 67 -2.543 -6.157 -14.917 1.00 0.00 ATOM 522 CD2 LEU A 67 -0.353 -5.846 -16.087 1.00 0.00 ATOM 523 O LEU A 67 -4.326 -3.229 -16.214 1.00 0.00 ATOM 524 C LEU A 67 -4.086 -3.713 -17.321 1.00 0.00 ATOM 525 N LYS A 68 -3.914 -2.977 -18.415 1.00 0.00 ATOM 526 CA LYS A 68 -4.023 -1.524 -18.353 1.00 0.00 ATOM 527 CB LYS A 68 -3.739 -0.902 -19.723 1.00 0.00 ATOM 528 CG LYS A 68 -3.772 0.618 -19.737 1.00 0.00 ATOM 529 CD LYS A 68 -3.405 1.166 -21.103 1.00 0.00 ATOM 530 CE LYS A 68 -3.468 2.685 -21.122 1.00 0.00 ATOM 531 NZ LYS A 68 -3.126 3.237 -22.463 1.00 0.00 ATOM 532 O LYS A 68 -5.588 -0.136 -17.109 1.00 0.00 ATOM 533 C LYS A 68 -5.425 -1.049 -17.940 1.00 0.00 ATOM 534 N ARG A 69 -6.450 -1.684 -18.507 1.00 0.00 ATOM 535 CA ARG A 69 -7.828 -1.357 -18.187 1.00 0.00 ATOM 536 CB ARG A 69 -8.832 -2.224 -18.815 1.00 0.00 ATOM 537 CG ARG A 69 -9.094 -1.800 -20.267 1.00 0.00 ATOM 538 CD ARG A 69 -10.358 -2.441 -20.843 1.00 0.00 ATOM 539 NE ARG A 69 -10.206 -3.865 -21.134 1.00 0.00 ATOM 540 CZ ARG A 69 -9.488 -4.352 -22.142 1.00 0.00 ATOM 541 NH1 ARG A 69 -8.851 -3.533 -22.966 1.00 0.00 ATOM 542 NH2 ARG A 69 -9.413 -5.664 -22.331 1.00 0.00 ATOM 543 O ARG A 69 -8.655 -0.721 -16.020 1.00 0.00 ATOM 544 C ARG A 69 -8.118 -1.594 -16.705 1.00 0.00 ATOM 545 N GLU A 70 -7.706 -2.753 -16.199 1.00 0.00 ATOM 546 CA GLU A 70 -7.933 -3.086 -14.795 1.00 0.00 ATOM 547 CB GLU A 70 -7.555 -4.543 -14.526 1.00 0.00 ATOM 548 CG GLU A 70 -8.480 -5.558 -15.177 1.00 0.00 ATOM 549 CD GLU A 70 -8.002 -6.985 -14.992 1.00 0.00 ATOM 550 OE1 GLU A 70 -6.911 -7.175 -14.415 1.00 0.00 ATOM 551 OE2 GLU A 70 -8.721 -7.912 -15.422 1.00 0.00 ATOM 552 O GLU A 70 -7.580 -1.835 -12.775 1.00 0.00 ATOM 553 C GLU A 70 -7.112 -2.208 -13.853 1.00 0.00 ATOM 554 N GLN A 71 -5.905 -1.840 -14.275 1.00 0.00 ATOM 555 CA GLN A 71 -5.064 -0.972 -13.451 1.00 0.00 ATOM 556 CB GLN A 71 -3.689 -0.756 -14.074 1.00 0.00 ATOM 557 CG GLN A 71 -2.732 -0.095 -13.133 1.00 0.00 ATOM 558 CD GLN A 71 -1.840 0.901 -13.778 1.00 0.00 ATOM 559 OE1 GLN A 71 -2.227 1.550 -14.762 1.00 0.00 ATOM 560 NE2 GLN A 71 -0.655 1.084 -13.216 1.00 0.00 ATOM 561 O GLN A 71 -5.786 0.919 -12.159 1.00 0.00 ATOM 562 C GLN A 71 -5.768 0.366 -13.257 1.00 0.00 ATOM 563 N ARG A 72 -6.332 0.892 -14.336 1.00 0.00 ATOM 564 CA ARG A 72 -7.039 2.161 -14.263 1.00 0.00 ATOM 565 CB ARG A 72 -7.401 2.629 -15.675 1.00 0.00 ATOM 566 CG ARG A 72 -6.146 3.240 -16.308 1.00 0.00 ATOM 567 CD ARG A 72 -6.205 3.541 -17.813 1.00 0.00 ATOM 568 NE ARG A 72 -7.184 4.593 -18.050 1.00 0.00 ATOM 569 CZ ARG A 72 -6.981 5.901 -17.828 1.00 0.00 ATOM 570 NH1 ARG A 72 -5.818 6.365 -17.350 1.00 0.00 ATOM 571 NH2 ARG A 72 -7.973 6.755 -18.071 1.00 0.00 ATOM 572 O ARG A 72 -8.422 2.936 -12.459 1.00 0.00 ATOM 573 C ARG A 72 -8.221 2.067 -13.304 1.00 0.00 ATOM 574 N ASN A 73 -8.983 1.031 -13.440 1.00 0.00 ATOM 575 CA ASN A 73 -10.155 0.848 -12.595 1.00 0.00 ATOM 576 CB ASN A 73 -10.983 -0.352 -13.015 1.00 0.00 ATOM 577 CG ASN A 73 -11.711 -0.114 -14.320 1.00 0.00 ATOM 578 ND2 ASN A 73 -11.903 -1.176 -15.092 1.00 0.00 ATOM 579 OD1 ASN A 73 -12.112 1.008 -14.626 1.00 0.00 ATOM 580 O ASN A 73 -10.616 0.964 -10.244 1.00 0.00 ATOM 581 C ASN A 73 -9.789 0.706 -11.121 1.00 0.00 ATOM 582 N ASN A 74 -8.606 0.165 -10.858 1.00 0.00 ATOM 583 CA ASN A 74 -8.130 -0.030 -9.490 1.00 0.00 ATOM 584 CB ASN A 74 -7.242 -1.272 -9.396 1.00 0.00 ATOM 585 CG ASN A 74 -8.024 -2.561 -9.550 1.00 0.00 ATOM 586 ND2 ASN A 74 -7.356 -3.604 -10.034 1.00 0.00 ATOM 587 OD1 ASN A 74 -9.214 -2.618 -9.240 1.00 0.00 ATOM 588 O ASN A 74 -6.769 1.132 -7.895 1.00 0.00 ATOM 589 C ASN A 74 -7.330 1.172 -8.990 1.00 0.00 ATOM 590 N LYS A 75 -7.181 2.188 -9.837 1.00 0.00 ATOM 591 CA LYS A 75 -6.485 3.431 -9.494 1.00 0.00 ATOM 592 CB LYS A 75 -7.699 4.345 -8.759 1.00 0.00 ATOM 593 CG LYS A 75 -9.133 4.223 -9.200 1.00 0.00 ATOM 594 CD LYS A 75 -9.982 5.020 -8.232 1.00 0.00 ATOM 595 CE LYS A 75 -11.391 5.228 -8.713 1.00 0.00 ATOM 596 NZ LYS A 75 -12.145 6.068 -7.744 1.00 0.00 ATOM 597 O LYS A 75 -4.461 3.672 -8.176 1.00 0.00 ATOM 598 C LYS A 75 -5.029 3.117 -9.125 1.00 0.00 ATOM 599 N LEU A 76 -4.439 2.135 -9.937 1.00 0.00 ATOM 600 CA LEU A 76 -3.077 1.720 -9.669 1.00 0.00 ATOM 601 CB LEU A 76 -2.681 0.479 -9.579 1.00 0.00 ATOM 602 CG LEU A 76 -2.815 0.118 -8.097 1.00 0.00 ATOM 603 CD1 LEU A 76 -2.442 -1.330 -7.873 1.00 0.00 ATOM 604 CD2 LEU A 76 -1.963 1.039 -7.225 1.00 0.00 ATOM 605 O LEU A 76 -2.278 2.909 -11.582 1.00 0.00 ATOM 606 C LEU A 76 -2.069 2.586 -10.409 1.00 0.00 ATOM 607 N HIS A 77 -1.157 3.190 -9.648 1.00 0.00 ATOM 608 CA HIS A 77 -0.129 4.017 -10.260 1.00 0.00 ATOM 609 CB HIS A 77 0.724 4.702 -9.201 1.00 0.00 ATOM 610 CG HIS A 77 0.007 5.829 -8.455 1.00 0.00 ATOM 611 CD2 HIS A 77 -1.305 5.983 -8.168 1.00 0.00 ATOM 612 ND1 HIS A 77 0.665 6.922 -7.950 1.00 0.00 ATOM 613 CE1 HIS A 77 -0.198 7.738 -7.367 1.00 0.00 ATOM 614 NE2 HIS A 77 -1.406 7.184 -7.484 1.00 0.00 ATOM 615 O HIS A 77 1.414 2.098 -10.343 1.00 0.00 ATOM 616 C HIS A 77 0.897 3.070 -10.884 1.00 0.00 ATOM 617 N LEU A 78 -0.012 4.676 -11.293 1.00 0.00 ATOM 618 CA LEU A 78 0.476 5.762 -12.129 1.00 0.00 ATOM 619 CB LEU A 78 -0.068 5.634 -13.556 1.00 0.00 ATOM 620 CG LEU A 78 0.246 4.359 -14.330 1.00 0.00 ATOM 621 CD1 LEU A 78 -0.501 4.443 -15.686 1.00 0.00 ATOM 622 CD2 LEU A 78 1.756 4.193 -14.524 1.00 0.00 ATOM 623 O LEU A 78 -1.045 7.372 -11.199 1.00 0.00 ATOM 624 C LEU A 78 0.112 7.128 -11.563 1.00 0.00 ATOM 625 N GLU A 79 1.117 7.986 -11.421 1.00 0.00 ATOM 626 CA GLU A 79 0.909 9.331 -10.888 1.00 0.00 ATOM 627 CB GLU A 79 2.271 10.003 -10.658 1.00 0.00 ATOM 628 CG GLU A 79 2.207 11.382 -10.012 1.00 0.00 ATOM 629 CD GLU A 79 1.388 11.392 -8.736 1.00 0.00 ATOM 630 OE1 GLU A 79 1.462 10.410 -7.968 1.00 0.00 ATOM 631 OE2 GLU A 79 0.675 12.391 -8.498 1.00 0.00 ATOM 632 O GLU A 79 -0.854 10.873 -11.415 1.00 0.00 ATOM 633 C GLU A 79 0.021 10.123 -11.844 1.00 0.00 ATOM 634 N HIS A 80 0.286 9.992 -13.137 1.00 0.00 ATOM 635 CA HIS A 80 -0.512 10.671 -14.152 1.00 0.00 ATOM 636 CB HIS A 80 0.003 10.369 -15.557 1.00 0.00 ATOM 637 CG HIS A 80 1.361 10.934 -15.825 1.00 0.00 ATOM 638 CD2 HIS A 80 2.195 11.642 -15.033 1.00 0.00 ATOM 639 ND1 HIS A 80 2.024 10.748 -17.022 1.00 0.00 ATOM 640 CE1 HIS A 80 3.199 11.366 -16.970 1.00 0.00 ATOM 641 NE2 HIS A 80 3.320 11.927 -15.773 1.00 0.00 ATOM 642 O HIS A 80 -2.892 11.006 -14.095 1.00 0.00 ATOM 643 C HIS A 80 -1.962 10.207 -14.041 1.00 0.00 ATOM 644 N HIS A 81 -2.123 8.911 -13.798 1.00 0.00 ATOM 645 CA HIS A 81 -3.426 8.272 -13.657 1.00 0.00 ATOM 646 CB HIS A 81 -3.326 6.756 -13.538 1.00 0.00 ATOM 647 CG HIS A 81 -4.661 6.091 -13.426 1.00 0.00 ATOM 648 CD2 HIS A 81 -5.196 5.327 -12.448 1.00 0.00 ATOM 649 ND1 HIS A 81 -5.623 6.183 -14.420 1.00 0.00 ATOM 650 CE1 HIS A 81 -6.690 5.502 -14.049 1.00 0.00 ATOM 651 NE2 HIS A 81 -6.453 4.974 -12.854 1.00 0.00 ATOM 652 O HIS A 81 -5.379 8.946 -12.428 1.00 0.00 ATOM 653 C HIS A 81 -4.158 8.745 -12.414 1.00 0.00 ATOM 654 N HIS A 82 -3.411 8.954 -11.351 1.00 0.00 ATOM 655 CA HIS A 82 -4.028 9.445 -10.120 1.00 0.00 ATOM 656 CB HIS A 82 -2.978 9.596 -9.002 1.00 0.00 ATOM 657 CG HIS A 82 -3.448 10.414 -7.840 1.00 0.00 ATOM 658 CD2 HIS A 82 -4.114 10.068 -6.711 1.00 0.00 ATOM 659 ND1 HIS A 82 -3.242 11.781 -7.757 1.00 0.00 ATOM 660 CE1 HIS A 82 -3.779 12.239 -6.639 1.00 0.00 ATOM 661 NE2 HIS A 82 -4.318 11.221 -5.986 1.00 0.00 ATOM 662 O HIS A 82 -5.822 11.025 -9.860 1.00 0.00 ATOM 663 C HIS A 82 -4.700 10.787 -10.337 1.00 0.00 ATOM 664 N HIS A 83 -3.975 11.697 -10.999 1.00 0.00 ATOM 665 CA HIS A 83 -4.424 13.061 -11.285 1.00 0.00 ATOM 666 CB HIS A 83 -3.319 13.838 -12.055 1.00 0.00 ATOM 667 CG HIS A 83 -3.815 15.033 -12.822 1.00 0.00 ATOM 668 CD2 HIS A 83 -4.058 15.212 -14.143 1.00 0.00 ATOM 669 ND1 HIS A 83 -4.049 16.258 -12.222 1.00 0.00 ATOM 670 CE1 HIS A 83 -4.487 17.111 -13.135 1.00 0.00 ATOM 671 NE2 HIS A 83 -4.479 16.511 -14.308 1.00 0.00 ATOM 672 O HIS A 83 -6.695 13.755 -11.791 1.00 0.00 ATOM 673 C HIS A 83 -5.729 13.046 -12.113 1.00 0.00 ATOM 674 N HIS A 84 -5.755 12.219 -13.147 1.00 0.00 ATOM 675 CA HIS A 84 -6.940 12.097 -13.990 1.00 0.00 ATOM 676 CB HIS A 84 -6.650 11.270 -15.190 1.00 0.00 ATOM 677 CG HIS A 84 -5.924 12.025 -16.258 1.00 0.00 ATOM 678 CD2 HIS A 84 -4.698 11.859 -16.801 1.00 0.00 ATOM 679 ND1 HIS A 84 -6.465 13.139 -16.866 1.00 0.00 ATOM 680 CE1 HIS A 84 -5.626 13.592 -17.780 1.00 0.00 ATOM 681 NE2 HIS A 84 -4.542 12.836 -17.762 1.00 0.00 ATOM 682 O HIS A 84 -9.274 11.950 -13.309 1.00 0.00 ATOM 683 C HIS A 84 -8.149 11.473 -13.226 1.00 0.00 ATOM 684 N HIS A 85 -7.877 10.494 -12.369 1.00 0.00 ATOM 685 CA HIS A 85 -8.908 9.855 -11.573 1.00 0.00 ATOM 686 CB HIS A 85 -9.120 8.436 -12.074 1.00 0.00 ATOM 687 CG HIS A 85 -9.408 8.373 -13.535 1.00 0.00 ATOM 688 CD2 HIS A 85 -8.596 8.166 -14.599 1.00 0.00 ATOM 689 ND1 HIS A 85 -10.664 8.617 -14.053 1.00 0.00 ATOM 690 CE1 HIS A 85 -10.609 8.562 -15.372 1.00 0.00 ATOM 691 NE2 HIS A 85 -9.368 8.291 -15.729 1.00 0.00 ATOM 692 O HIS A 85 -9.574 9.661 -9.303 1.00 0.00 ATOM 693 C HIS A 85 -8.608 9.853 -10.080 1.00 0.00 ENDMDL EXPDTA 2hepA MODEL 2 REMARK 44 REMARK 44 model 2 is called 2hepA ATOM 1 N MET 1 3.740 -3.280 -15.260 1.00 0.00 ATOM 2 CA MET 1 3.354 -4.585 -15.872 1.00 0.00 ATOM 3 CB MET 1 4.536 -5.151 -16.672 1.00 0.00 ATOM 4 CG MET 1 5.857 -4.798 -15.980 1.00 0.00 ATOM 5 SD MET 1 7.163 -5.901 -16.577 1.00 0.00 ATOM 6 CE MET 1 7.196 -5.323 -18.294 1.00 0.00 ATOM 7 O MET 1 2.367 -6.614 -15.052 1.00 0.00 ATOM 8 C MET 1 2.951 -5.565 -14.774 1.00 0.00 ATOM 9 N ILE 2 3.266 -5.218 -13.528 1.00 0.00 ATOM 10 CA ILE 2 2.933 -6.076 -12.395 1.00 0.00 ATOM 11 CB ILE 2 3.714 -5.633 -11.153 1.00 0.00 ATOM 12 CG1 ILE 2 5.222 -5.681 -11.441 1.00 0.00 ATOM 13 CG2 ILE 2 3.391 -6.566 -9.983 1.00 0.00 ATOM 14 CD1 ILE 2 5.632 -7.091 -11.881 1.00 0.00 ATOM 15 O ILE 2 0.780 -5.008 -12.342 1.00 0.00 ATOM 16 C ILE 2 1.435 -6.025 -12.105 1.00 0.00 ATOM 17 N SER 3 0.904 -7.131 -11.590 1.00 0.00 ATOM 18 CA SER 3 -0.519 -7.214 -11.267 1.00 0.00 ATOM 19 CB SER 3 -1.348 -7.202 -12.555 1.00 0.00 ATOM 20 OG SER 3 -1.069 -8.375 -13.310 1.00 0.00 ATOM 21 O SER 3 -1.966 -8.934 -10.419 1.00 0.00 ATOM 22 C SER 3 -0.819 -8.487 -10.476 1.00 0.00 ATOM 23 N ASN 4 0.215 -9.066 -9.869 1.00 0.00 ATOM 24 CA ASN 4 0.044 -10.289 -9.088 1.00 0.00 ATOM 25 CB ASN 4 1.392 -11.008 -8.932 1.00 0.00 ATOM 26 CG ASN 4 2.423 -10.084 -8.288 1.00 0.00 ATOM 27 ND2 ASN 4 2.545 -10.058 -6.990 1.00 0.00 ATOM 28 OD1 ASN 4 3.140 -9.371 -8.988 1.00 0.00 ATOM 29 O ASN 4 -1.220 -8.956 -7.536 1.00 0.00 ATOM 30 C ASN 4 -0.556 -9.979 -7.715 1.00 0.00 ATOM 31 N ALA 5 -0.327 -10.874 -6.753 1.00 0.00 ATOM 32 CA ALA 5 -0.854 -10.700 -5.400 1.00 0.00 ATOM 33 CB ALA 5 -0.386 -11.855 -4.511 1.00 0.00 ATOM 34 O ALA 5 -0.907 -8.960 -3.747 1.00 0.00 ATOM 35 C ALA 5 -0.403 -9.373 -4.791 1.00 0.00 ATOM 36 N LYS 6 0.545 -8.708 -5.448 1.00 0.00 ATOM 37 CA LYS 6 1.047 -7.430 -4.956 1.00 0.00 ATOM 38 CB LYS 6 2.278 -7.006 -5.764 1.00 0.00 ATOM 39 CG LYS 6 2.745 -5.619 -5.306 1.00 0.00 ATOM 40 CD LYS 6 4.120 -5.312 -5.907 1.00 0.00 ATOM 41 CE LYS 6 5.201 -6.098 -5.160 1.00 0.00 ATOM 42 NZ LYS 6 6.460 -5.300 -5.125 1.00 0.00 ATOM 43 O LYS 6 -0.430 -5.761 -4.066 1.00 0.00 ATOM 44 C LYS 6 -0.036 -6.361 -5.066 1.00 0.00 ATOM 45 N ILE 7 -0.516 -6.135 -6.287 1.00 0.00 ATOM 46 CA ILE 7 -1.560 -5.142 -6.521 1.00 0.00 ATOM 47 CB ILE 7 -1.959 -5.144 -8.006 1.00 0.00 ATOM 48 CG1 ILE 7 -0.968 -4.282 -8.803 1.00 0.00 ATOM 49 CG2 ILE 7 -3.373 -4.573 -8.175 1.00 0.00 ATOM 50 CD1 ILE 7 0.429 -4.910 -8.757 1.00 0.00 ATOM 51 O ILE 7 -3.331 -4.550 -5.007 1.00 0.00 ATOM 52 C ILE 7 -2.776 -5.443 -5.649 1.00 0.00 ATOM 53 N ALA 8 -3.179 -6.711 -5.632 1.00 0.00 ATOM 54 CA ALA 8 -4.327 -7.135 -4.839 1.00 0.00 ATOM 55 CB ALA 8 -4.557 -8.637 -5.021 1.00 0.00 ATOM 56 O ALA 8 -4.991 -6.280 -2.694 1.00 0.00 ATOM 57 C ALA 8 -4.111 -6.829 -3.357 1.00 0.00 ATOM 58 N ARG 9 -2.936 -7.191 -2.848 1.00 0.00 ATOM 59 CA ARG 9 -2.610 -6.957 -1.443 1.00 0.00 ATOM 60 CB ARG 9 -1.213 -7.511 -1.136 1.00 0.00 ATOM 61 CG ARG 9 -0.848 -7.242 0.329 1.00 0.00 ATOM 62 CD ARG 9 -1.827 -7.973 1.250 1.00 0.00 ATOM 63 NE ARG 9 -1.212 -8.214 2.552 1.00 0.00 ATOM 64 CZ ARG 9 -1.716 -9.105 3.401 1.00 0.00 ATOM 65 NH1 ARG 9 -2.781 -9.790 3.080 1.00 0.00 ATOM 66 NH2 ARG 9 -1.146 -9.293 4.559 1.00 0.00 ATOM 67 O ARG 9 -3.288 -5.057 -0.139 1.00 0.00 ATOM 68 C ARG 9 -2.657 -5.467 -1.114 1.00 0.00 ATOM 69 N ILE 10 -1.978 -4.667 -1.931 1.00 0.00 ATOM 70 CA ILE 10 -1.935 -3.222 -1.722 1.00 0.00 ATOM 71 CB ILE 10 -1.213 -2.546 -2.894 1.00 0.00 ATOM 72 CG1 ILE 10 0.280 -2.893 -2.840 1.00 0.00 ATOM 73 CG2 ILE 10 -1.382 -1.026 -2.801 1.00 0.00 ATOM 74 CD1 ILE 10 0.936 -2.560 -4.182 1.00 0.00 ATOM 75 O ILE 10 -3.643 -1.966 -0.596 1.00 0.00 ATOM 76 C ILE 10 -3.344 -2.646 -1.577 1.00 0.00 ATOM 77 N ASN 11 -4.201 -2.917 -2.560 1.00 0.00 ATOM 78 CA ASN 11 -5.570 -2.410 -2.529 1.00 0.00 ATOM 79 CB ASN 11 -6.314 -2.823 -3.811 1.00 0.00 ATOM 80 CG ASN 11 -7.230 -4.024 -3.567 1.00 0.00 ATOM 81 ND2 ASN 11 -6.990 -5.145 -4.186 1.00 0.00 ATOM 82 OD1 ASN 11 -8.194 -3.934 -2.806 1.00 0.00 ATOM 83 O ASN 11 -7.062 -2.178 -0.662 1.00 0.00 ATOM 84 C ASN 11 -6.305 -2.918 -1.291 1.00 0.00 ATOM 85 N GLU 12 -6.078 -4.183 -0.950 1.00 0.00 ATOM 86 CA GLU 12 -6.726 -4.779 0.213 1.00 0.00 ATOM 87 CB GLU 12 -6.326 -6.253 0.343 1.00 0.00 ATOM 88 CG GLU 12 -7.236 -7.118 -0.536 1.00 0.00 ATOM 89 CD GLU 12 -8.685 -7.013 -0.064 1.00 0.00 ATOM 90 OE1 GLU 12 -8.963 -7.450 1.041 1.00 0.00 ATOM 91 OE2 GLU 12 -9.496 -6.496 -0.815 1.00 0.00 ATOM 92 O GLU 12 -7.206 -3.495 2.182 1.00 0.00 ATOM 93 C GLU 12 -6.344 -4.031 1.486 1.00 0.00 ATOM 94 N LEU 13 -5.048 -4.002 1.786 1.00 0.00 ATOM 95 CA LEU 13 -4.558 -3.324 2.984 1.00 0.00 ATOM 96 CB LEU 13 -3.034 -3.457 3.070 1.00 0.00 ATOM 97 CG LEU 13 -2.607 -3.619 4.534 1.00 0.00 ATOM 98 CD1 LEU 13 -1.130 -4.016 4.593 1.00 0.00 ATOM 99 CD2 LEU 13 -2.803 -2.294 5.280 1.00 0.00 ATOM 100 O LEU 13 -5.428 -1.312 3.965 1.00 0.00 ATOM 101 C LEU 13 -4.941 -1.845 2.968 1.00 0.00 ATOM 102 N ALA 14 -4.711 -1.191 1.833 1.00 0.00 ATOM 103 CA ALA 14 -5.027 0.228 1.696 1.00 0.00 ATOM 104 CB ALA 14 -4.743 0.690 0.265 1.00 0.00 ATOM 105 O ALA 14 -6.790 1.312 2.909 1.00 0.00 ATOM 106 C ALA 14 -6.489 0.499 2.036 1.00 0.00 ATOM 107 N ALA 15 -7.392 -0.182 1.335 1.00 0.00 ATOM 108 CA ALA 15 -8.825 -0.002 1.559 1.00 0.00 ATOM 109 CB ALA 15 -9.615 -0.875 0.582 1.00 0.00 ATOM 110 O ALA 15 -10.055 0.293 3.601 1.00 0.00 ATOM 111 C ALA 15 -9.211 -0.366 2.992 1.00 0.00 ATOM 112 N LYS 16 -8.588 -1.413 3.525 1.00 0.00 ATOM 113 CA LYS 16 -8.871 -1.853 4.888 1.00 0.00 ATOM 114 CB LYS 16 -8.105 -3.142 5.203 1.00 0.00 ATOM 115 CG LYS 16 -9.059 -4.340 5.126 1.00 0.00 ATOM 116 CD LYS 16 -9.439 -4.615 3.664 1.00 0.00 ATOM 117 CE LYS 16 -10.820 -5.275 3.604 1.00 0.00 ATOM 118 NZ LYS 16 -10.778 -6.589 4.307 1.00 0.00 ATOM 119 O LYS 16 -9.336 -0.217 6.579 1.00 0.00 ATOM 120 C LYS 16 -8.485 -0.765 5.878 1.00 0.00 ATOM 121 N ALA 17 -7.192 -0.454 5.920 1.00 0.00 ATOM 122 CA ALA 17 -6.689 0.577 6.816 1.00 0.00 ATOM 123 CB ALA 17 -5.180 0.744 6.623 1.00 0.00 ATOM 124 O ALA 17 -7.495 2.753 7.421 1.00 0.00 ATOM 125 C ALA 17 -7.388 1.903 6.539 1.00 0.00 ATOM 126 N LYS 18 -7.866 2.070 5.306 1.00 0.00 ATOM 127 CA LYS 18 -8.556 3.302 4.930 1.00 0.00 ATOM 128 CB LYS 18 -8.659 3.411 3.404 1.00 0.00 ATOM 129 CG LYS 18 -9.584 4.576 3.031 1.00 0.00 ATOM 130 CD LYS 18 -9.264 5.054 1.612 1.00 0.00 ATOM 131 CE LYS 18 -10.204 6.202 1.233 1.00 0.00 ATOM 132 NZ LYS 18 -11.587 5.674 1.065 1.00 0.00 ATOM 133 O LYS 18 -10.289 4.267 6.282 1.00 0.00 ATOM 134 C LYS 18 -9.953 3.341 5.543 1.00 0.00 ATOM 135 N ALA 19 -10.761 2.330 5.230 1.00 0.00 ATOM 136 CA ALA 19 -12.122 2.256 5.752 1.00 0.00 ATOM 137 CB ALA 19 -12.927 1.219 4.962 1.00 0.00 ATOM 138 O ALA 19 -13.175 1.786 7.859 1.00 0.00 ATOM 139 C ALA 19 -12.118 1.878 7.232 1.00 0.00 ATOM 140 N GLY 20 -10.924 1.664 7.786 1.00 0.00 ATOM 141 CA GLY 20 -10.797 1.298 9.193 1.00 0.00 ATOM 142 O GLY 20 -11.257 3.084 10.725 1.00 0.00 ATOM 143 C GLY 20 -10.413 2.507 10.040 1.00 0.00 ATOM 144 N VAL 21 -9.137 2.889 9.980 1.00 0.00 ATOM 145 CA VAL 21 -8.644 4.037 10.742 1.00 0.00 ATOM 146 CB VAL 21 -8.322 3.630 12.189 1.00 0.00 ATOM 147 CG1 VAL 21 -9.619 3.380 12.968 1.00 0.00 ATOM 148 CG2 VAL 21 -7.473 2.354 12.193 1.00 0.00 ATOM 149 O VAL 21 -7.198 5.825 10.048 1.00 0.00 ATOM 150 C VAL 21 -7.388 4.609 10.090 1.00 0.00 ATOM 151 N ILE 22 -6.535 3.715 9.590 1.00 0.00 ATOM 152 CA ILE 22 -5.284 4.109 8.942 1.00 0.00 ATOM 153 CB ILE 22 -5.554 5.135 7.818 1.00 0.00 ATOM 154 CG1 ILE 22 -4.997 4.598 6.488 1.00 0.00 ATOM 155 CG2 ILE 22 -4.897 6.487 8.137 1.00 0.00 ATOM 156 CD1 ILE 22 -3.515 4.234 6.638 1.00 0.00 ATOM 157 O ILE 22 -4.669 5.506 10.802 1.00 0.00 ATOM 158 C ILE 22 -4.305 4.669 9.974 1.00 0.00 ATOM 159 N THR 23 -3.065 4.191 9.920 1.00 0.00 ATOM 160 CA THR 23 -2.035 4.638 10.854 1.00 0.00 ATOM 161 CB THR 23 -1.736 3.533 11.876 1.00 0.00 ATOM 162 CG2 THR 23 -3.042 3.047 12.509 1.00 0.00 ATOM 163 OG1 THR 23 -1.090 2.447 11.226 1.00 0.00 ATOM 164 O THR 23 -0.469 4.444 9.046 1.00 0.00 ATOM 165 C THR 23 -0.756 4.999 10.107 1.00 0.00 ATOM 166 N GLU 24 0.009 5.929 10.674 1.00 0.00 ATOM 167 CA GLU 24 1.264 6.359 10.063 1.00 0.00 ATOM 168 CB GLU 24 2.036 7.249 11.043 1.00 0.00 ATOM 169 CG GLU 24 3.274 7.834 10.353 1.00 0.00 ATOM 170 CD GLU 24 4.266 8.347 11.396 1.00 0.00 ATOM 171 OE1 GLU 24 3.823 8.929 12.374 1.00 0.00 ATOM 172 OE2 GLU 24 5.455 8.153 11.200 1.00 0.00 ATOM 173 O GLU 24 2.709 5.106 8.609 1.00 0.00 ATOM 174 C GLU 24 2.118 5.150 9.688 1.00 0.00 ATOM 175 N GLU 25 2.172 4.171 10.589 1.00 0.00 ATOM 176 CA GLU 25 2.952 2.959 10.353 1.00 0.00 ATOM 177 CB GLU 25 2.843 2.018 11.559 1.00 0.00 ATOM 178 CG GLU 25 3.050 2.806 12.859 1.00 0.00 ATOM 179 CD GLU 25 4.290 3.692 12.752 1.00 0.00 ATOM 180 OE1 GLU 25 4.128 4.892 12.594 1.00 0.00 ATOM 181 OE2 GLU 25 5.384 3.157 12.827 1.00 0.00 ATOM 182 O GLU 25 3.245 1.943 8.197 1.00 0.00 ATOM 183 C GLU 25 2.461 2.242 9.099 1.00 0.00 ATOM 184 N GLU 26 1.158 1.974 9.048 1.00 0.00 ATOM 185 CA GLU 26 0.569 1.294 7.898 1.00 0.00 ATOM 186 CB GLU 26 -0.924 1.049 8.139 1.00 0.00 ATOM 187 CG GLU 26 -1.109 -0.037 9.202 1.00 0.00 ATOM 188 CD GLU 26 -2.595 -0.221 9.499 1.00 0.00 ATOM 189 OE1 GLU 26 -3.238 -0.961 8.772 1.00 0.00 ATOM 190 OE2 GLU 26 -3.070 0.385 10.446 1.00 0.00 ATOM 191 O GLU 26 1.247 1.652 5.626 1.00 0.00 ATOM 192 C GLU 26 0.745 2.136 6.640 1.00 0.00 ATOM 193 N LYS 27 0.330 3.398 6.720 1.00 0.00 ATOM 194 CA LYS 27 0.440 4.314 5.588 1.00 0.00 ATOM 195 CB LYS 27 0.023 5.722 6.023 1.00 0.00 ATOM 196 CG LYS 27 -0.150 6.619 4.794 1.00 0.00 ATOM 197 CD LYS 27 -0.496 8.041 5.247 1.00 0.00 ATOM 198 CE LYS 27 -0.860 8.898 4.032 1.00 0.00 ATOM 199 NZ LYS 27 0.347 9.097 3.180 1.00 0.00 ATOM 200 O LYS 27 2.079 4.396 3.832 1.00 0.00 ATOM 201 C LYS 27 1.870 4.340 5.045 1.00 0.00 ATOM 202 N ALA 28 2.849 4.298 5.949 1.00 0.00 ATOM 203 CA ALA 28 4.254 4.317 5.545 1.00 0.00 ATOM 204 CB ALA 28 5.155 4.331 6.783 1.00 0.00 ATOM 205 O ALA 28 5.273 3.215 3.670 1.00 0.00 ATOM 206 C ALA 28 4.585 3.100 4.684 1.00 0.00 ATOM 207 N GLU 29 4.088 1.936 5.095 1.00 0.00 ATOM 208 CA GLU 29 4.334 0.704 4.350 1.00 0.00 ATOM 209 CB GLU 29 3.645 -0.476 5.044 1.00 0.00 ATOM 210 CG GLU 29 4.642 -1.185 5.967 1.00 0.00 ATOM 211 CD GLU 29 4.918 -0.330 7.202 1.00 0.00 ATOM 212 OE1 GLU 29 5.710 0.593 7.097 1.00 0.00 ATOM 213 OE2 GLU 29 4.333 -0.610 8.236 1.00 0.00 ATOM 214 O GLU 29 4.589 0.709 1.963 1.00 0.00 ATOM 215 C GLU 29 3.822 0.834 2.917 1.00 0.00 ATOM 216 N GLN 30 2.522 1.087 2.775 1.00 0.00 ATOM 217 CA GLN 30 1.914 1.236 1.452 1.00 0.00 ATOM 218 CB GLN 30 0.461 1.717 1.578 1.00 0.00 ATOM 219 CG GLN 30 -0.146 1.217 2.892 1.00 0.00 ATOM 220 CD GLN 30 -1.665 1.362 2.864 1.00 0.00 ATOM 221 OE1 GLN 30 -2.231 1.824 1.872 1.00 0.00 ATOM 222 NE2 GLN 30 -2.363 0.997 3.904 1.00 0.00 ATOM 223 O GLN 30 2.727 2.127 -0.626 1.00 0.00 ATOM 224 C GLN 30 2.702 2.230 0.601 1.00 0.00 ATOM 225 N GLN 31 3.337 3.196 1.263 1.00 0.00 ATOM 226 CA GLN 31 4.118 4.212 0.564 1.00 0.00 ATOM 227 CB GLN 31 4.760 5.166 1.576 1.00 0.00 ATOM 228 CG GLN 31 5.015 6.524 0.915 1.00 0.00 ATOM 229 CD GLN 31 5.987 7.345 1.758 1.00 0.00 ATOM 230 OE1 GLN 31 6.105 7.128 2.965 1.00 0.00 ATOM 231 NE2 GLN 31 6.695 8.283 1.191 1.00 0.00 ATOM 232 O GLN 31 5.225 3.758 -1.513 1.00 0.00 ATOM 233 C GLN 31 5.205 3.575 -0.297 1.00 0.00 ATOM 234 N LYS 32 6.113 2.836 0.338 1.00 0.00 ATOM 235 CA LYS 32 7.203 2.190 -0.388 1.00 0.00 ATOM 236 CB LYS 32 8.117 1.436 0.591 1.00 0.00 ATOM 237 CG LYS 32 7.596 0.011 0.821 1.00 0.00 ATOM 238 CD LYS 32 8.393 -0.655 1.946 1.00 0.00 ATOM 239 CE LYS 32 7.901 -2.093 2.140 1.00 0.00 ATOM 240 NZ LYS 32 6.752 -2.104 3.089 1.00 0.00 ATOM 241 O LYS 32 7.192 1.163 -2.558 1.00 0.00 ATOM 242 C LYS 32 6.661 1.235 -1.451 1.00 0.00 ATOM 243 N LEU 33 5.603 0.506 -1.105 1.00 0.00 ATOM 244 CA LEU 33 4.999 -0.442 -2.036 1.00 0.00 ATOM 245 CB LEU 33 3.789 -1.121 -1.384 1.00 0.00 ATOM 246 CG LEU 33 4.267 -2.158 -0.361 1.00 0.00 ATOM 247 CD1 LEU 33 3.074 -2.651 0.461 1.00 0.00 ATOM 248 CD2 LEU 33 4.908 -3.345 -1.089 1.00 0.00 ATOM 249 O LEU 33 5.005 -0.097 -4.414 1.00 0.00 ATOM 250 C LEU 33 4.563 0.260 -3.321 1.00 0.00 ATOM 251 N ARG 34 3.690 1.256 -3.180 1.00 0.00 ATOM 252 CA ARG 34 3.192 2.001 -4.335 1.00 0.00 ATOM 253 CB ARG 34 2.066 2.946 -3.902 1.00 0.00 ATOM 254 CG ARG 34 0.768 2.151 -3.724 1.00 0.00 ATOM 255 CD ARG 34 0.222 1.735 -5.094 1.00 0.00 ATOM 256 NE ARG 34 -1.223 1.531 -5.024 1.00 0.00 ATOM 257 CZ ARG 34 -2.072 2.556 -5.044 1.00 0.00 ATOM 258 NH1 ARG 34 -1.624 3.780 -5.121 1.00 0.00 ATOM 259 NH2 ARG 34 -3.358 2.338 -4.987 1.00 0.00 ATOM 260 O ARG 34 4.407 2.856 -6.218 1.00 0.00 ATOM 261 C ARG 34 4.311 2.803 -4.992 1.00 0.00 ATOM 262 N GLN 35 5.154 3.424 -4.172 1.00 0.00 ATOM 263 CA GLN 35 6.263 4.220 -4.689 1.00 0.00 ATOM 264 CB GLN 35 7.031 4.858 -3.526 1.00 0.00 ATOM 265 CG GLN 35 8.288 5.566 -4.049 1.00 0.00 ATOM 266 CD GLN 35 7.915 6.612 -5.097 1.00 0.00 ATOM 267 OE1 GLN 35 6.932 7.338 -4.933 1.00 0.00 ATOM 268 NE2 GLN 35 8.647 6.736 -6.171 1.00 0.00 ATOM 269 O GLN 35 7.708 3.782 -6.556 1.00 0.00 ATOM 270 C GLN 35 7.205 3.351 -5.517 1.00 0.00 ATOM 271 N GLU 36 7.433 2.125 -5.053 1.00 0.00 ATOM 272 CA GLU 36 8.312 1.201 -5.761 1.00 0.00 ATOM 273 CB GLU 36 8.508 -0.072 -4.933 1.00 0.00 ATOM 274 CG GLU 36 9.324 -1.094 -5.735 1.00 0.00 ATOM 275 CD GLU 36 9.692 -2.286 -4.853 1.00 0.00 ATOM 276 OE1 GLU 36 10.800 -2.778 -4.989 1.00 0.00 ATOM 277 OE2 GLU 36 8.859 -2.693 -4.058 1.00 0.00 ATOM 278 O GLU 36 8.377 1.001 -8.151 1.00 0.00 ATOM 279 C GLU 36 7.720 0.847 -7.121 1.00 0.00 ATOM 280 N TYR 37 6.475 0.372 -7.116 1.00 0.00 ATOM 281 CA TYR 37 5.803 -0.000 -8.357 1.00 0.00 ATOM 282 CB TYR 37 4.350 -0.396 -8.078 1.00 0.00 ATOM 283 CG TYR 37 3.621 -0.591 -9.390 1.00 0.00 ATOM 284 CD1 TYR 37 2.604 0.296 -9.766 1.00 0.00 ATOM 285 CD2 TYR 37 3.971 -1.652 -10.236 1.00 0.00 ATOM 286 CE1 TYR 37 1.937 0.122 -10.985 1.00 0.00 ATOM 287 CE2 TYR 37 3.303 -1.826 -11.454 1.00 0.00 ATOM 288 CZ TYR 37 2.287 -0.939 -11.829 1.00 0.00 ATOM 289 OH TYR 37 1.632 -1.109 -13.031 1.00 0.00 ATOM 290 O TYR 37 6.140 0.964 -10.524 1.00 0.00 ATOM 291 C TYR 37 5.836 1.157 -9.351 1.00 0.00 ATOM 292 N LEU 38 5.520 2.356 -8.869 1.00 0.00 ATOM 293 CA LEU 38 5.517 3.541 -9.723 1.00 0.00 ATOM 294 CB LEU 38 5.118 4.775 -8.900 1.00 0.00 ATOM 295 CG LEU 38 3.657 5.154 -9.177 1.00 0.00 ATOM 296 CD1 LEU 38 3.506 5.618 -10.630 1.00 0.00 ATOM 297 CD2 LEU 38 2.751 3.942 -8.928 1.00 0.00 ATOM 298 O LEU 38 7.013 4.180 -11.492 1.00 0.00 ATOM 299 C LEU 38 6.897 3.766 -10.339 1.00 0.00 ATOM 300 N LYS 39 7.938 3.497 -9.554 1.00 0.00 ATOM 301 CA LYS 39 9.312 3.681 -10.015 1.00 0.00 ATOM 302 CB LYS 39 10.279 3.464 -8.847 1.00 0.00 ATOM 303 CG LYS 39 11.611 4.161 -9.141 1.00 0.00 ATOM 304 CD LYS 39 12.568 3.958 -7.961 1.00 0.00 ATOM 305 CE LYS 39 13.296 2.619 -8.111 1.00 0.00 ATOM 306 NZ LYS 39 13.805 2.177 -6.782 1.00 0.00 ATOM 307 O LYS 39 10.470 3.038 -12.018 1.00 0.00 ATOM 308 C LYS 39 9.657 2.716 -11.151 1.00 0.00 ATOM 309 N GLY 40 9.046 1.533 -11.137 1.00 0.00 ATOM 310 CA GLY 40 9.314 0.534 -12.171 1.00 0.00 ATOM 311 O GLY 40 8.475 0.186 -14.389 1.00 0.00 ATOM 312 C GLY 40 8.216 0.518 -13.232 1.00 0.00 ATOM 313 N PHE 41 6.999 0.880 -12.819 1.00 0.00 ATOM 314 CA PHE 41 5.834 0.915 -13.712 1.00 0.00 ATOM 315 CB PHE 41 5.527 2.370 -14.096 1.00 0.00 ATOM 316 CG PHE 41 4.206 2.440 -14.829 1.00 0.00 ATOM 317 CD1 PHE 41 4.160 2.899 -16.152 1.00 0.00 ATOM 318 CD2 PHE 41 3.025 2.051 -14.182 1.00 0.00 ATOM 319 CE1 PHE 41 2.936 2.967 -16.827 1.00 0.00 ATOM 320 CE2 PHE 41 1.802 2.119 -14.859 1.00 0.00 ATOM 321 CZ PHE 41 1.757 2.577 -16.181 1.00 0.00 ATOM 322 O PHE 41 6.029 -1.174 -14.887 1.00 0.00 ATOM 323 C PHE 41 6.051 0.055 -14.966 1.00 0.00 ATOM 324 N ARG 42 6.264 0.701 -16.115 1.00 0.00 ATOM 325 CA ARG 42 6.486 -0.024 -17.365 1.00 0.00 ATOM 326 CB ARG 42 5.980 0.807 -18.552 1.00 0.00 ATOM 327 CG ARG 42 6.867 2.043 -18.745 1.00 0.00 ATOM 328 CD ARG 42 6.177 3.028 -19.691 1.00 0.00 ATOM 329 NE ARG 42 7.053 4.162 -19.962 1.00 0.00 ATOM 330 CZ ARG 42 6.659 5.174 -20.730 1.00 0.00 ATOM 331 NH1 ARG 42 5.464 5.174 -21.257 1.00 0.00 ATOM 332 NH2 ARG 42 7.469 6.171 -20.955 1.00 0.00 ATOM 333 O ARG 42 8.338 -1.400 -18.038 1.00 0.00 ATOM 334 C ARG 42 7.971 -0.331 -17.548 1.00 0.00 ENDMDL # command:# Prefix for output files set to decoys/ # command:# request to SCWRL produces command: ulimit -t 77 ; scwrl3 -i /var/tmp/to_scwrl_513685812.pdb -s /var/tmp/to_scwrl_513685812.seq -o /var/tmp/from_scwrl_513685812.pdb > /var/tmp/scwrl_513685812.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_513685812.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 81 # 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 = -79.762 # GDT_score(maxd=8.000,maxw=2.900)= -85.215 # GDT_score(maxd=8.000,maxw=3.200)= -80.981 # GDT_score(maxd=8.000,maxw=3.500)= -76.849 # GDT_score(maxd=10.000,maxw=3.800)= -79.089 # GDT_score(maxd=10.000,maxw=4.000)= -76.563 # GDT_score(maxd=10.000,maxw=4.200)= -74.278 # GDT_score(maxd=12.000,maxw=4.300)= -77.584 # GDT_score(maxd=12.000,maxw=4.500)= -75.394 # GDT_score(maxd=12.000,maxw=4.700)= -73.300 # GDT_score(maxd=14.000,maxw=5.200)= -71.871 # GDT_score(maxd=14.000,maxw=5.500)= -68.992 # command:# request to SCWRL produces command: ulimit -t 77 ; scwrl3 -i /var/tmp/to_scwrl_1725417617.pdb -s /var/tmp/to_scwrl_1725417617.seq -o /var/tmp/from_scwrl_1725417617.pdb > /var/tmp/scwrl_1725417617.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1725417617.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 # Found a chain break before 81 # copying to AlignedFragments data structure # command:Warning: Couldn't open file decoys/model3.gdt for output # fraction of real conformation used = 1.000 # GDT_score = -70.238 # GDT_score(maxd=8.000,maxw=2.900)= -73.505 # GDT_score(maxd=8.000,maxw=3.200)= -69.292 # GDT_score(maxd=8.000,maxw=3.500)= -65.620 # GDT_score(maxd=10.000,maxw=3.800)= -68.760 # GDT_score(maxd=10.000,maxw=4.000)= -66.579 # GDT_score(maxd=10.000,maxw=4.200)= -64.471 # GDT_score(maxd=12.000,maxw=4.300)= -68.255 # GDT_score(maxd=12.000,maxw=4.500)= -66.194 # GDT_score(maxd=12.000,maxw=4.700)= -64.268 # GDT_score(maxd=14.000,maxw=5.200)= -63.382 # GDT_score(maxd=14.000,maxw=5.500)= -60.964 # command:# request to SCWRL produces command: ulimit -t 77 ; scwrl3 -i /var/tmp/to_scwrl_725337518.pdb -s /var/tmp/to_scwrl_725337518.seq -o /var/tmp/from_scwrl_725337518.pdb > /var/tmp/scwrl_725337518.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_725337518.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 68 # copying to AlignedFragments data structure # command:Warning: Couldn't open file decoys/model4.gdt for output # fraction of real conformation used = 1.000 # GDT_score = -65.476 # GDT_score(maxd=8.000,maxw=2.900)= -63.740 # GDT_score(maxd=8.000,maxw=3.200)= -61.336 # GDT_score(maxd=8.000,maxw=3.500)= -59.344 # GDT_score(maxd=10.000,maxw=3.800)= -62.910 # GDT_score(maxd=10.000,maxw=4.000)= -61.535 # GDT_score(maxd=10.000,maxw=4.200)= -60.176 # GDT_score(maxd=12.000,maxw=4.300)= -63.646 # GDT_score(maxd=12.000,maxw=4.500)= -62.264 # GDT_score(maxd=12.000,maxw=4.700)= -60.931 # GDT_score(maxd=14.000,maxw=5.200)= -60.857 # GDT_score(maxd=14.000,maxw=5.500)= -58.817 # command:# request to SCWRL produces command: ulimit -t 77 ; scwrl3 -i /var/tmp/to_scwrl_464029071.pdb -s /var/tmp/to_scwrl_464029071.seq -o /var/tmp/from_scwrl_464029071.pdb > /var/tmp/scwrl_464029071.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_464029071.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 # command:Warning: Couldn't open file decoys/model5.gdt for output # fraction of real conformation used = 1.000 # GDT_score = -75.000 # GDT_score(maxd=8.000,maxw=2.900)= -75.534 # GDT_score(maxd=8.000,maxw=3.200)= -72.328 # GDT_score(maxd=8.000,maxw=3.500)= -69.478 # GDT_score(maxd=10.000,maxw=3.800)= -72.245 # GDT_score(maxd=10.000,maxw=4.000)= -70.537 # GDT_score(maxd=10.000,maxw=4.200)= -68.762 # GDT_score(maxd=12.000,maxw=4.300)= -72.050 # GDT_score(maxd=12.000,maxw=4.500)= -70.272 # GDT_score(maxd=12.000,maxw=4.700)= -68.497 # GDT_score(maxd=14.000,maxw=5.200)= -67.682 # GDT_score(maxd=14.000,maxw=5.500)= -65.305 # command:# request to SCWRL produces command: ulimit -t 77 ; scwrl3 -i /var/tmp/to_scwrl_269192809.pdb -s /var/tmp/to_scwrl_269192809.seq -o /var/tmp/from_scwrl_269192809.pdb > /var/tmp/scwrl_269192809.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_269192809.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 T0335.try1-opt2.pdb looking for model 1 # Found a chain break before 58 # 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 = -76.190 # GDT_score(maxd=8.000,maxw=2.900)= -79.024 # GDT_score(maxd=8.000,maxw=3.200)= -75.095 # GDT_score(maxd=8.000,maxw=3.500)= -71.335 # GDT_score(maxd=10.000,maxw=3.800)= -74.010 # GDT_score(maxd=10.000,maxw=4.000)= -71.710 # GDT_score(maxd=10.000,maxw=4.200)= -69.384 # GDT_score(maxd=12.000,maxw=4.300)= -73.035 # GDT_score(maxd=12.000,maxw=4.500)= -70.779 # GDT_score(maxd=12.000,maxw=4.700)= -68.578 # GDT_score(maxd=14.000,maxw=5.200)= -67.194 # GDT_score(maxd=14.000,maxw=5.500)= -64.308 # command:# Prefix for output files set to # command:Warning: Couldn't open file T0335.try1-real.pdb for output Error: Couldn't open file T0335.try1-real.pdb for output superimposing iter= 0 total_weight= 502 rmsd (weighted)= 2.77313 (unweighted)= 18.6753 superimposing iter= 1 total_weight= 987.527 rmsd (weighted)= 1.54024 (unweighted)= 18.8653 superimposing iter= 2 total_weight= 487.214 rmsd (weighted)= 1.25189 (unweighted)= 18.9395 superimposing iter= 3 total_weight= 395.316 rmsd (weighted)= 1.13767 (unweighted)= 18.9641 superimposing iter= 4 total_weight= 362.941 rmsd (weighted)= 1.08202 (unweighted)= 18.9751 superimposing iter= 5 total_weight= 346.491 rmsd (weighted)= 1.05387 (unweighted)= 18.9834 EXPDTA T0335.try1-opt2.pdb MODEL 1 REMARK 44 REMARK 44 model 1 is called T0335.try1-opt2.pdb ATOM 1 N MET A 1 5.377 -7.776 -14.804 1.00 0.00 ATOM 2 CA MET A 1 6.478 -8.268 -13.917 1.00 0.00 ATOM 3 CB MET A 1 7.352 -6.938 -13.509 1.00 0.00 ATOM 4 CG MET A 1 8.734 -6.629 -14.021 1.00 0.00 ATOM 5 SD MET A 1 9.694 -8.127 -14.217 1.00 0.00 ATOM 6 CE MET A 1 10.925 -7.551 -15.513 1.00 0.00 ATOM 7 O MET A 1 6.474 -9.362 -11.773 1.00 0.00 ATOM 8 C MET A 1 6.041 -8.419 -12.454 1.00 0.00 ATOM 9 N ILE A 2 5.212 -7.492 -11.962 1.00 0.00 ATOM 10 CA ILE A 2 4.650 -7.601 -10.616 1.00 0.00 ATOM 11 CB ILE A 2 4.125 -6.239 -10.122 1.00 0.00 ATOM 12 CG1 ILE A 2 5.241 -5.193 -10.160 1.00 0.00 ATOM 13 CG2 ILE A 2 3.618 -6.350 -8.693 1.00 0.00 ATOM 14 CD1 ILE A 2 6.430 -5.535 -9.289 1.00 0.00 ATOM 15 O ILE A 2 2.576 -8.530 -11.384 1.00 0.00 ATOM 16 C ILE A 2 3.502 -8.614 -10.586 1.00 0.00 ATOM 17 N SER A 3 3.576 -9.607 -9.687 1.00 0.00 ATOM 18 CA SER A 3 2.528 -10.630 -9.575 1.00 0.00 ATOM 19 CB SER A 3 2.886 -11.650 -8.492 1.00 0.00 ATOM 20 OG SER A 3 2.891 -11.051 -7.209 1.00 0.00 ATOM 21 O SER A 3 1.131 -8.960 -8.556 1.00 0.00 ATOM 22 C SER A 3 1.180 -10.009 -9.200 1.00 0.00 ATOM 23 N ASN A 4 0.053 -10.702 -9.636 1.00 0.00 ATOM 24 CA ASN A 4 -1.278 -10.198 -9.313 1.00 0.00 ATOM 25 CB ASN A 4 -2.282 -11.475 -9.483 1.00 0.00 ATOM 26 CG ASN A 4 -3.754 -11.180 -9.797 1.00 0.00 ATOM 27 ND2 ASN A 4 -4.568 -11.116 -8.727 1.00 0.00 ATOM 28 OD1 ASN A 4 -4.161 -11.073 -10.980 1.00 0.00 ATOM 29 O ASN A 4 -2.179 -9.181 -7.331 1.00 0.00 ATOM 30 C ASN A 4 -1.487 -10.081 -7.805 1.00 0.00 ATOM 31 N ALA A 5 -0.888 -11.020 -7.063 1.00 0.00 ATOM 32 CA ALA A 5 -1.022 -10.992 -5.609 1.00 0.00 ATOM 33 CB ALA A 5 -0.338 -12.202 -4.990 1.00 0.00 ATOM 34 O ALA A 5 -1.000 -9.056 -4.187 1.00 0.00 ATOM 35 C ALA A 5 -0.398 -9.720 -5.038 1.00 0.00 ATOM 36 N LYS A 6 0.782 -9.357 -5.505 1.00 0.00 ATOM 37 CA LYS A 6 1.445 -8.161 -5.007 1.00 0.00 ATOM 38 CB LYS A 6 2.890 -8.057 -5.500 1.00 0.00 ATOM 39 CG LYS A 6 3.774 -9.176 -4.989 1.00 0.00 ATOM 40 CD LYS A 6 5.219 -8.965 -5.434 1.00 0.00 ATOM 41 CE LYS A 6 6.150 -10.138 -5.148 1.00 0.00 ATOM 42 NZ LYS A 6 7.503 -9.915 -5.767 1.00 0.00 ATOM 43 O LYS A 6 0.516 -5.994 -4.509 1.00 0.00 ATOM 44 C LYS A 6 0.671 -6.896 -5.355 1.00 0.00 ATOM 45 N ILE A 7 0.160 -6.841 -6.570 1.00 0.00 ATOM 46 CA ILE A 7 -0.580 -5.705 -6.994 1.00 0.00 ATOM 47 CB ILE A 7 -0.958 -5.872 -8.527 1.00 0.00 ATOM 48 CG1 ILE A 7 0.292 -5.679 -9.386 1.00 0.00 ATOM 49 CG2 ILE A 7 -2.066 -4.873 -8.932 1.00 0.00 ATOM 50 CD1 ILE A 7 0.061 -6.019 -10.867 1.00 0.00 ATOM 51 O ILE A 7 -2.225 -4.461 -5.749 1.00 0.00 ATOM 52 C ILE A 7 -1.851 -5.572 -6.148 1.00 0.00 ATOM 53 N ALA A 8 -2.526 -6.690 -5.860 1.00 0.00 ATOM 54 CA ALA A 8 -3.732 -6.651 -5.032 1.00 0.00 ATOM 55 CB ALA A 8 -4.371 -8.038 -4.968 1.00 0.00 ATOM 56 O ALA A 8 -4.196 -5.447 -3.009 1.00 0.00 ATOM 57 C ALA A 8 -3.393 -6.177 -3.614 1.00 0.00 ATOM 58 N ARG A 9 -2.195 -6.534 -3.127 1.00 0.00 ATOM 59 CA ARG A 9 -1.790 -6.117 -1.759 1.00 0.00 ATOM 60 CB ARG A 9 -0.506 -6.783 -1.302 1.00 0.00 ATOM 61 CG ARG A 9 -0.616 -8.281 -1.062 1.00 0.00 ATOM 62 CD ARG A 9 0.742 -8.948 -0.874 1.00 0.00 ATOM 63 NE ARG A 9 1.433 -8.462 0.325 1.00 0.00 ATOM 64 CZ ARG A 9 2.715 -8.156 0.380 1.00 0.00 ATOM 65 NH1 ARG A 9 3.492 -8.245 -0.698 1.00 0.00 ATOM 66 NH2 ARG A 9 3.235 -7.755 1.539 1.00 0.00 ATOM 67 O ARG A 9 -2.086 -3.973 -0.723 1.00 0.00 ATOM 68 C ARG A 9 -1.657 -4.606 -1.700 1.00 0.00 ATOM 69 N ILE A 10 -1.032 -4.018 -2.724 1.00 0.00 ATOM 70 CA ILE A 10 -0.916 -2.564 -2.802 1.00 0.00 ATOM 71 CB ILE A 10 -0.095 -2.152 -4.043 1.00 0.00 ATOM 72 CG1 ILE A 10 1.375 -2.544 -3.824 1.00 0.00 ATOM 73 CG2 ILE A 10 -0.252 -0.663 -4.332 1.00 0.00 ATOM 74 CD1 ILE A 10 2.223 -2.482 -5.091 1.00 0.00 ATOM 75 O ILE A 10 -2.552 -0.942 -2.127 1.00 0.00 ATOM 76 C ILE A 10 -2.288 -1.904 -2.847 1.00 0.00 ATOM 77 N ASN A 11 -3.160 -2.437 -3.708 1.00 0.00 ATOM 78 CA ASN A 11 -4.510 -1.903 -3.857 1.00 0.00 ATOM 79 CB ASN A 11 -5.301 -2.713 -4.884 1.00 0.00 ATOM 80 CG ASN A 11 -4.869 -2.428 -6.309 1.00 0.00 ATOM 81 ND2 ASN A 11 -5.194 -3.338 -7.219 1.00 0.00 ATOM 82 OD1 ASN A 11 -4.251 -1.401 -6.587 1.00 0.00 ATOM 83 O ASN A 11 -5.914 -0.988 -2.129 1.00 0.00 ATOM 84 C ASN A 11 -5.285 -1.967 -2.528 1.00 0.00 ATOM 85 N GLU A 12 -5.209 -3.097 -1.843 1.00 0.00 ATOM 86 CA GLU A 12 -5.923 -3.260 -0.562 1.00 0.00 ATOM 87 CB GLU A 12 -5.653 -4.644 0.030 1.00 0.00 ATOM 88 CG GLU A 12 -6.386 -4.916 1.335 1.00 0.00 ATOM 89 CD GLU A 12 -6.122 -6.308 1.872 1.00 0.00 ATOM 90 OE1 GLU A 12 -5.376 -7.066 1.217 1.00 0.00 ATOM 91 OE2 GLU A 12 -6.662 -6.641 2.948 1.00 0.00 ATOM 92 O GLU A 12 -6.321 -1.588 1.114 1.00 0.00 ATOM 93 C GLU A 12 -5.483 -2.219 0.467 1.00 0.00 ATOM 94 N LEU A 13 -4.180 -2.047 0.603 1.00 0.00 ATOM 95 CA LEU A 13 -3.645 -1.073 1.552 1.00 0.00 ATOM 96 CB LEU A 13 -2.092 -1.232 1.650 1.00 0.00 ATOM 97 CG LEU A 13 -1.618 -2.623 2.147 1.00 0.00 ATOM 98 CD1 LEU A 13 -0.090 -2.616 2.205 1.00 0.00 ATOM 99 CD2 LEU A 13 -2.146 -2.999 3.547 1.00 0.00 ATOM 100 O LEU A 13 -4.284 1.172 2.068 1.00 0.00 ATOM 101 C LEU A 13 -4.033 0.357 1.197 1.00 0.00 ATOM 102 N ALA A 14 -4.014 0.659 -0.084 1.00 0.00 ATOM 103 CA ALA A 14 -4.488 1.921 -0.575 1.00 0.00 ATOM 104 CB ALA A 14 -4.369 1.979 -2.092 1.00 0.00 ATOM 105 O ALA A 14 -6.327 3.304 0.151 1.00 0.00 ATOM 106 C ALA A 14 -5.965 2.166 -0.201 1.00 0.00 ATOM 107 N ALA A 15 -6.816 1.150 -0.286 1.00 0.00 ATOM 108 CA ALA A 15 -8.230 1.363 0.118 1.00 0.00 ATOM 109 CB ALA A 15 -9.039 0.092 -0.091 1.00 0.00 ATOM 110 O ALA A 15 -9.010 2.657 1.979 1.00 0.00 ATOM 111 C ALA A 15 -8.283 1.741 1.595 1.00 0.00 ATOM 112 N LYS A 16 -7.489 1.072 2.447 1.00 0.00 ATOM 113 CA LYS A 16 -7.433 1.402 3.868 1.00 0.00 ATOM 114 CB LYS A 16 -6.515 0.414 4.590 1.00 0.00 ATOM 115 CG LYS A 16 -7.091 -0.987 4.721 1.00 0.00 ATOM 116 CD LYS A 16 -6.131 -1.915 5.448 1.00 0.00 ATOM 117 CE LYS A 16 -6.696 -3.320 5.558 1.00 0.00 ATOM 118 NZ LYS A 16 -5.751 -4.247 6.238 1.00 0.00 ATOM 119 O LYS A 16 -7.367 3.536 4.989 1.00 0.00 ATOM 120 C LYS A 16 -6.875 2.808 4.117 1.00 0.00 ATOM 121 N ALA A 17 -5.809 3.124 3.353 1.00 0.00 ATOM 122 CA ALA A 17 -5.256 4.479 3.430 1.00 0.00 ATOM 123 CB ALA A 17 -4.042 4.608 2.525 1.00 0.00 ATOM 124 O ALA A 17 -6.453 6.508 3.662 1.00 0.00 ATOM 125 C ALA A 17 -6.318 5.487 2.990 1.00 0.00 ATOM 126 N LYS A 18 -7.139 5.263 1.959 1.00 0.00 ATOM 127 CA LYS A 18 -8.185 6.219 1.596 1.00 0.00 ATOM 128 CB LYS A 18 -8.793 5.857 0.240 1.00 0.00 ATOM 129 CG LYS A 18 -7.859 6.082 -0.938 1.00 0.00 ATOM 130 CD LYS A 18 -8.527 5.707 -2.252 1.00 0.00 ATOM 131 CE LYS A 18 -7.582 5.900 -3.427 1.00 0.00 ATOM 132 NZ LYS A 18 -8.216 5.513 -4.718 1.00 0.00 ATOM 133 O LYS A 18 -9.880 7.293 2.881 1.00 0.00 ATOM 134 C LYS A 18 -9.300 6.229 2.629 1.00 0.00 ATOM 135 N ALA A 19 -9.689 5.108 3.244 1.00 0.00 ATOM 136 CA ALA A 19 -10.702 5.066 4.263 1.00 0.00 ATOM 137 CB ALA A 19 -11.110 3.628 4.545 1.00 0.00 ATOM 138 O ALA A 19 -11.155 5.902 6.484 1.00 0.00 ATOM 139 C ALA A 19 -10.301 5.708 5.600 1.00 0.00 ATOM 140 N GLY A 20 -8.996 5.876 5.863 1.00 0.00 ATOM 141 CA GLY A 20 -8.632 6.391 7.162 1.00 0.00 ATOM 142 O GLY A 20 -8.605 5.504 9.394 1.00 0.00 ATOM 143 C GLY A 20 -8.501 5.266 8.187 1.00 0.00 ATOM 144 N VAL A 21 -8.239 3.972 7.738 1.00 0.00 ATOM 145 CA VAL A 21 -8.217 2.785 8.595 1.00 0.00 ATOM 146 CB VAL A 21 -9.227 1.707 8.162 1.00 0.00 ATOM 147 CG1 VAL A 21 -10.651 2.227 8.289 1.00 0.00 ATOM 148 CG2 VAL A 21 -8.990 1.307 6.713 1.00 0.00 ATOM 149 O VAL A 21 -6.736 0.855 8.700 1.00 0.00 ATOM 150 C VAL A 21 -6.843 2.096 8.638 1.00 0.00 ATOM 151 N ILE A 22 -5.758 2.852 8.579 1.00 0.00 ATOM 152 CA ILE A 22 -4.455 2.269 8.682 1.00 0.00 ATOM 153 CB ILE A 22 -3.650 2.467 7.383 1.00 0.00 ATOM 154 CG1 ILE A 22 -3.479 3.959 7.086 1.00 0.00 ATOM 155 CG2 ILE A 22 -4.365 1.819 6.209 1.00 0.00 ATOM 156 CD1 ILE A 22 -2.531 4.247 5.941 1.00 0.00 ATOM 157 O ILE A 22 -4.061 4.065 10.136 1.00 0.00 ATOM 158 C ILE A 22 -3.773 2.923 9.822 1.00 0.00 ATOM 159 N THR A 23 -2.845 2.192 10.423 1.00 0.00 ATOM 160 CA THR A 23 -1.945 2.734 11.420 1.00 0.00 ATOM 161 CB THR A 23 -1.251 1.617 12.221 1.00 0.00 ATOM 162 CG2 THR A 23 -2.283 0.728 12.899 1.00 0.00 ATOM 163 OG1 THR A 23 -0.456 0.815 11.340 1.00 0.00 ATOM 164 O THR A 23 -0.765 3.628 9.516 1.00 0.00 ATOM 165 C THR A 23 -0.852 3.556 10.751 1.00 0.00 ATOM 166 N GLU A 24 -0.002 4.151 11.573 1.00 0.00 ATOM 167 CA GLU A 24 1.074 4.990 11.076 1.00 0.00 ATOM 168 CB GLU A 24 1.811 5.658 12.239 1.00 0.00 ATOM 169 CG GLU A 24 0.997 6.718 12.961 1.00 0.00 ATOM 170 CD GLU A 24 1.701 7.257 14.190 1.00 0.00 ATOM 171 OE1 GLU A 24 2.796 6.751 14.517 1.00 0.00 ATOM 172 OE2 GLU A 24 1.160 8.185 14.828 1.00 0.00 ATOM 173 O GLU A 24 2.482 4.625 9.185 1.00 0.00 ATOM 174 C GLU A 24 2.095 4.197 10.271 1.00 0.00 ATOM 175 N GLU A 25 2.520 3.043 10.792 1.00 0.00 ATOM 176 CA GLU A 25 3.463 2.198 10.069 1.00 0.00 ATOM 177 CB GLU A 25 3.801 0.950 10.887 1.00 0.00 ATOM 178 CG GLU A 25 4.652 1.226 12.117 1.00 0.00 ATOM 179 CD GLU A 25 4.862 -0.012 12.967 1.00 0.00 ATOM 180 OE1 GLU A 25 4.283 -1.067 12.635 1.00 0.00 ATOM 181 OE2 GLU A 25 5.608 0.075 13.967 1.00 0.00 ATOM 182 O GLU A 25 3.558 1.660 7.721 1.00 0.00 ATOM 183 C GLU A 25 2.861 1.715 8.744 1.00 0.00 ATOM 184 N GLU A 26 1.597 1.349 8.770 1.00 0.00 ATOM 185 CA GLU A 26 0.949 0.894 7.574 1.00 0.00 ATOM 186 CB GLU A 26 -0.460 0.388 7.893 1.00 0.00 ATOM 187 CG GLU A 26 -0.490 -0.884 8.726 1.00 0.00 ATOM 188 CD GLU A 26 -1.898 -1.304 9.099 1.00 0.00 ATOM 189 OE1 GLU A 26 -2.847 -0.565 8.759 1.00 0.00 ATOM 190 OE2 GLU A 26 -2.052 -2.370 9.730 1.00 0.00 ATOM 191 O GLU A 26 0.970 1.700 5.323 1.00 0.00 ATOM 192 C GLU A 26 0.842 1.979 6.510 1.00 0.00 ATOM 193 N LYS A 27 0.626 3.218 6.938 1.00 0.00 ATOM 194 CA LYS A 27 0.553 4.339 6.001 1.00 0.00 ATOM 195 CB LYS A 27 0.241 5.640 6.744 1.00 0.00 ATOM 196 CG LYS A 27 0.092 6.853 5.838 1.00 0.00 ATOM 197 CD LYS A 27 -0.294 8.090 6.632 1.00 0.00 ATOM 198 CE LYS A 27 -0.412 9.309 5.731 1.00 0.00 ATOM 199 NZ LYS A 27 -0.777 10.532 6.497 1.00 0.00 ATOM 200 O LYS A 27 1.927 4.593 4.048 1.00 0.00 ATOM 201 C LYS A 27 1.894 4.482 5.271 1.00 0.00 ATOM 202 N ALA A 28 2.987 4.418 6.045 1.00 0.00 ATOM 203 CA ALA A 28 4.326 4.481 5.481 1.00 0.00 ATOM 204 CB ALA A 28 5.366 4.548 6.590 1.00 0.00 ATOM 205 O ALA A 28 5.201 3.401 3.533 1.00 0.00 ATOM 206 C ALA A 28 4.617 3.257 4.616 1.00 0.00 ATOM 207 N GLU A 29 4.221 2.074 5.073 1.00 0.00 ATOM 208 CA GLU A 29 4.408 0.871 4.267 1.00 0.00 ATOM 209 CB GLU A 29 3.974 -0.370 5.049 1.00 0.00 ATOM 210 CG GLU A 29 4.885 -0.721 6.212 1.00 0.00 ATOM 211 CD GLU A 29 4.360 -1.879 7.037 1.00 0.00 ATOM 212 OE1 GLU A 29 3.246 -2.362 6.741 1.00 0.00 ATOM 213 OE2 GLU A 29 5.060 -2.305 7.979 1.00 0.00 ATOM 214 O GLU A 29 4.065 0.505 1.945 1.00 0.00 ATOM 215 C GLU A 29 3.589 0.943 2.970 1.00 0.00 ATOM 216 N GLN A 30 2.377 1.484 3.042 1.00 0.00 ATOM 217 CA GLN A 30 1.540 1.630 1.841 1.00 0.00 ATOM 218 CB GLN A 30 0.181 2.195 2.207 1.00 0.00 ATOM 219 CG GLN A 30 -0.642 1.251 3.076 1.00 0.00 ATOM 220 CD GLN A 30 -2.014 1.800 3.424 1.00 0.00 ATOM 221 OE1 GLN A 30 -2.352 2.924 3.052 1.00 0.00 ATOM 222 NE2 GLN A 30 -2.810 1.009 4.137 1.00 0.00 ATOM 223 O GLN A 30 2.168 2.304 -0.369 1.00 0.00 ATOM 224 C GLN A 30 2.202 2.562 0.832 1.00 0.00 ATOM 225 N GLN A 31 2.821 3.636 1.323 1.00 0.00 ATOM 226 CA GLN A 31 3.528 4.589 0.465 1.00 0.00 ATOM 227 CB GLN A 31 3.978 5.801 1.288 1.00 0.00 ATOM 228 CG GLN A 31 2.851 6.646 1.772 1.00 0.00 ATOM 229 CD GLN A 31 3.332 7.941 2.371 1.00 0.00 ATOM 230 OE1 GLN A 31 4.491 8.326 2.202 1.00 0.00 ATOM 231 NE2 GLN A 31 2.445 8.625 3.088 1.00 0.00 ATOM 232 O GLN A 31 4.923 4.048 -1.407 1.00 0.00 ATOM 233 C GLN A 31 4.721 3.910 -0.203 1.00 0.00 ATOM 234 N LYS A 32 5.505 3.172 0.580 1.00 0.00 ATOM 235 CA LYS A 32 6.598 2.389 0.019 1.00 0.00 ATOM 236 CB LYS A 32 7.333 1.625 1.122 1.00 0.00 ATOM 237 CG LYS A 32 8.533 0.828 0.630 1.00 0.00 ATOM 238 CD LYS A 32 9.257 0.155 1.784 1.00 0.00 ATOM 239 CE LYS A 32 10.425 -0.682 1.288 1.00 0.00 ATOM 240 NZ LYS A 32 11.130 -1.368 2.407 1.00 0.00 ATOM 241 O LYS A 32 6.638 1.228 -2.071 1.00 0.00 ATOM 242 C LYS A 32 6.082 1.396 -0.998 1.00 0.00 ATOM 243 N LEU A 33 4.967 0.753 -0.684 1.00 0.00 ATOM 244 CA LEU A 33 4.375 -0.205 -1.575 1.00 0.00 ATOM 245 CB LEU A 33 3.333 -1.052 -0.741 1.00 0.00 ATOM 246 CG LEU A 33 3.865 -2.017 0.322 1.00 0.00 ATOM 247 CD1 LEU A 33 2.707 -2.728 0.990 1.00 0.00 ATOM 248 CD2 LEU A 33 4.845 -3.031 -0.240 1.00 0.00 ATOM 249 O LEU A 33 3.848 -0.177 -3.912 1.00 0.00 ATOM 250 C LEU A 33 3.810 0.430 -2.841 1.00 0.00 ATOM 251 N ARG A 34 3.304 1.654 -2.708 1.00 0.00 ATOM 252 CA ARG A 34 2.729 2.349 -3.873 1.00 0.00 ATOM 253 CB ARG A 34 1.990 3.631 -3.383 1.00 0.00 ATOM 254 CG ARG A 34 0.739 3.368 -2.548 1.00 0.00 ATOM 255 CD ARG A 34 0.092 4.673 -2.085 1.00 0.00 ATOM 256 NE ARG A 34 -0.306 5.513 -3.214 1.00 0.00 ATOM 257 CZ ARG A 34 -1.561 5.730 -3.596 1.00 0.00 ATOM 258 NH1 ARG A 34 -2.571 5.175 -2.941 1.00 0.00 ATOM 259 NH2 ARG A 34 -1.807 6.506 -4.647 1.00 0.00 ATOM 260 O ARG A 34 3.636 2.528 -6.098 1.00 0.00 ATOM 261 C ARG A 34 3.824 2.694 -4.882 1.00 0.00 ATOM 262 N GLN A 35 4.975 3.145 -4.387 1.00 0.00 ATOM 263 CA GLN A 35 6.081 3.502 -5.281 1.00 0.00 ATOM 264 CB GLN A 35 7.205 4.176 -4.491 1.00 0.00 ATOM 265 CG GLN A 35 6.849 5.554 -3.956 1.00 0.00 ATOM 266 CD GLN A 35 7.943 6.142 -3.088 1.00 0.00 ATOM 267 OE1 GLN A 35 8.940 5.482 -2.796 1.00 0.00 ATOM 268 NE2 GLN A 35 7.760 7.390 -2.674 1.00 0.00 ATOM 269 O GLN A 35 6.911 2.358 -7.195 1.00 0.00 ATOM 270 C GLN A 35 6.658 2.301 -5.999 1.00 0.00 ATOM 271 N GLU A 36 6.865 1.201 -5.277 1.00 0.00 ATOM 272 CA GLU A 36 7.338 -0.028 -5.909 1.00 0.00 ATOM 273 CB GLU A 36 7.525 -1.130 -4.865 1.00 0.00 ATOM 274 CG GLU A 36 8.694 -0.899 -3.921 1.00 0.00 ATOM 275 CD GLU A 36 8.774 -1.945 -2.827 1.00 0.00 ATOM 276 OE1 GLU A 36 7.874 -2.808 -2.762 1.00 0.00 ATOM 277 OE2 GLU A 36 9.739 -1.902 -2.034 1.00 0.00 ATOM 278 O GLU A 36 6.803 -1.070 -7.970 1.00 0.00 ATOM 279 C GLU A 36 6.379 -0.545 -6.952 1.00 0.00 ATOM 280 N TYR A 37 5.077 -0.420 -6.702 1.00 0.00 ATOM 281 CA TYR A 37 4.100 -0.818 -7.707 1.00 0.00 ATOM 282 CB TYR A 37 2.677 -0.653 -7.167 1.00 0.00 ATOM 283 CG TYR A 37 1.598 -1.019 -8.161 1.00 0.00 ATOM 284 CD1 TYR A 37 1.280 -2.348 -8.409 1.00 0.00 ATOM 285 CD2 TYR A 37 0.901 -0.034 -8.848 1.00 0.00 ATOM 286 CE1 TYR A 37 0.295 -2.692 -9.315 1.00 0.00 ATOM 287 CE2 TYR A 37 -0.086 -0.358 -9.759 1.00 0.00 ATOM 288 CZ TYR A 37 -0.386 -1.700 -9.988 1.00 0.00 ATOM 289 OH TYR A 37 -1.367 -2.040 -10.892 1.00 0.00 ATOM 290 O TYR A 37 3.957 -0.534 -10.062 1.00 0.00 ATOM 291 C TYR A 37 4.166 0.003 -8.982 1.00 0.00 ATOM 292 N LEU A 38 4.404 1.307 -8.875 1.00 0.00 ATOM 293 CA LEU A 38 4.496 2.106 -10.093 1.00 0.00 ATOM 294 CB LEU A 38 4.831 3.560 -9.753 1.00 0.00 ATOM 295 CG LEU A 38 3.723 4.373 -9.083 1.00 0.00 ATOM 296 CD1 LEU A 38 4.246 5.726 -8.631 1.00 0.00 ATOM 297 CD2 LEU A 38 2.570 4.607 -10.048 1.00 0.00 ATOM 298 O LEU A 38 5.390 1.292 -12.179 1.00 0.00 ATOM 299 C LEU A 38 5.597 1.532 -10.979 1.00 0.00 ATOM 300 N LYS A 39 6.795 1.365 -10.412 1.00 0.00 ATOM 301 CA LYS A 39 7.947 0.889 -11.174 1.00 0.00 ATOM 302 CB LYS A 39 9.201 0.879 -10.297 1.00 0.00 ATOM 303 CG LYS A 39 10.462 0.444 -11.023 1.00 0.00 ATOM 304 CD LYS A 39 11.678 0.526 -10.114 1.00 0.00 ATOM 305 CE LYS A 39 12.933 0.044 -10.825 1.00 0.00 ATOM 306 NZ LYS A 39 14.129 0.095 -9.940 1.00 0.00 ATOM 307 O LYS A 39 7.936 -0.818 -12.862 1.00 0.00 ATOM 308 C LYS A 39 7.711 -0.527 -11.701 1.00 0.00 ATOM 309 N GLY A 40 7.227 -1.408 -10.842 1.00 0.00 ATOM 310 CA GLY A 40 6.973 -2.773 -11.217 1.00 0.00 ATOM 311 O GLY A 40 5.994 -3.727 -13.195 1.00 0.00 ATOM 312 C GLY A 40 5.878 -2.920 -12.237 1.00 0.00 ATOM 313 N PHE A 41 4.872 -2.083 -12.116 1.00 0.00 ATOM 314 CA PHE A 41 3.720 -2.127 -13.035 1.00 0.00 ATOM 315 CB PHE A 41 2.616 -1.222 -12.613 1.00 0.00 ATOM 316 CG PHE A 41 1.411 -1.371 -13.463 1.00 0.00 ATOM 317 CD1 PHE A 41 0.549 -2.442 -13.270 1.00 0.00 ATOM 318 CD2 PHE A 41 1.162 -0.487 -14.491 1.00 0.00 ATOM 319 CE1 PHE A 41 -0.574 -2.608 -14.086 1.00 0.00 ATOM 320 CE2 PHE A 41 0.052 -0.640 -15.305 1.00 0.00 ATOM 321 CZ PHE A 41 -0.815 -1.724 -15.097 1.00 0.00 ATOM 322 O PHE A 41 3.701 -2.456 -15.413 1.00 0.00 ATOM 323 C PHE A 41 4.105 -1.781 -14.471 1.00 0.00 ATOM 324 N ARG A 42 4.849 -0.700 -14.607 1.00 0.00 ATOM 325 CA ARG A 42 5.260 -0.247 -15.932 1.00 0.00 ATOM 326 CB ARG A 42 5.991 1.093 -15.844 1.00 0.00 ATOM 327 CG ARG A 42 6.378 1.680 -17.193 1.00 0.00 ATOM 328 CD ARG A 42 6.988 3.063 -17.040 1.00 0.00 ATOM 329 NE ARG A 42 7.365 3.641 -18.327 1.00 0.00 ATOM 330 CZ ARG A 42 7.976 4.813 -18.470 1.00 0.00 ATOM 331 NH1 ARG A 42 8.280 5.258 -19.681 1.00 0.00 ATOM 332 NH2 ARG A 42 8.281 5.535 -17.402 1.00 0.00 ATOM 333 O ARG A 42 5.987 -1.585 -17.783 1.00 0.00 ATOM 334 C ARG A 42 6.157 -1.278 -16.602 1.00 0.00 ATOM 335 N SER A 43 7.087 -1.858 -15.857 1.00 0.00 ATOM 336 CA SER A 43 7.955 -2.893 -16.382 1.00 0.00 ATOM 337 CB SER A 43 9.071 -3.223 -15.402 1.00 0.00 ATOM 338 OG SER A 43 8.557 -3.603 -14.139 1.00 0.00 ATOM 339 O SER A 43 7.377 -4.822 -17.675 1.00 0.00 ATOM 340 C SER A 43 7.127 -4.141 -16.683 1.00 0.00 ATOM 341 N SER A 44 6.088 -4.399 -15.867 1.00 0.00 ATOM 342 CA SER A 44 5.274 -5.584 -16.121 1.00 0.00 ATOM 343 CB SER A 44 4.263 -5.928 -15.025 1.00 0.00 ATOM 344 OG SER A 44 3.421 -4.808 -14.801 1.00 0.00 ATOM 345 O SER A 44 4.327 -6.410 -18.171 1.00 0.00 ATOM 346 C SER A 44 4.479 -5.422 -17.418 1.00 0.00 ATOM 347 N MET A 45 3.990 -4.216 -17.700 1.00 0.00 ATOM 348 CA MET A 45 3.243 -3.984 -18.940 1.00 0.00 ATOM 349 CB MET A 45 2.674 -2.564 -18.965 1.00 0.00 ATOM 350 CG MET A 45 1.823 -2.258 -20.186 1.00 0.00 ATOM 351 SD MET A 45 1.175 -0.575 -20.178 1.00 0.00 ATOM 352 CE MET A 45 2.663 0.362 -20.524 1.00 0.00 ATOM 353 O MET A 45 3.712 -4.663 -21.198 1.00 0.00 ATOM 354 C MET A 45 4.151 -4.183 -20.162 1.00 0.00 ATOM 355 N LYS A 46 5.408 -3.745 -20.049 1.00 0.00 ATOM 356 CA LYS A 46 6.414 -3.990 -21.095 1.00 0.00 ATOM 357 CB LYS A 46 7.784 -3.465 -20.659 1.00 0.00 ATOM 358 CG LYS A 46 7.878 -1.949 -20.598 1.00 0.00 ATOM 359 CD LYS A 46 9.262 -1.498 -20.159 1.00 0.00 ATOM 360 CE LYS A 46 9.348 0.017 -20.075 1.00 0.00 ATOM 361 NZ LYS A 46 10.689 0.473 -19.616 1.00 0.00 ATOM 362 O LYS A 46 6.571 -5.916 -22.522 1.00 0.00 ATOM 363 C LYS A 46 6.532 -5.493 -21.362 1.00 0.00 ATOM 364 N ASN A 47 6.546 -6.294 -20.294 1.00 0.00 ATOM 365 CA ASN A 47 6.602 -7.763 -20.438 1.00 0.00 ATOM 366 CB ASN A 47 6.708 -8.432 -19.065 1.00 0.00 ATOM 367 CG ASN A 47 8.081 -8.269 -18.443 1.00 0.00 ATOM 368 ND2 ASN A 47 8.157 -8.443 -17.128 1.00 0.00 ATOM 369 OD1 ASN A 47 9.059 -7.992 -19.137 1.00 0.00 ATOM 370 O ASN A 47 5.474 -9.130 -22.052 1.00 0.00 ATOM 371 C ASN A 47 5.367 -8.299 -21.152 1.00 0.00 ATOM 372 N THR A 48 4.178 -7.793 -20.785 1.00 0.00 ATOM 373 CA THR A 48 2.934 -8.212 -21.415 1.00 0.00 ATOM 374 CB THR A 48 1.715 -7.652 -20.636 1.00 0.00 ATOM 375 CG2 THR A 48 0.384 -8.053 -21.256 1.00 0.00 ATOM 376 OG1 THR A 48 1.750 -8.213 -19.316 1.00 0.00 ATOM 377 O THR A 48 2.484 -8.610 -23.739 1.00 0.00 ATOM 378 C THR A 48 2.922 -7.834 -22.895 1.00 0.00 ATOM 379 N LEU A 49 3.487 -6.645 -23.235 1.00 0.00 ATOM 380 CA LEU A 49 3.520 -6.169 -24.616 1.00 0.00 ATOM 381 CB LEU A 49 4.068 -4.756 -24.714 1.00 0.00 ATOM 382 CG LEU A 49 3.991 -4.160 -26.115 1.00 0.00 ATOM 383 CD1 LEU A 49 2.557 -4.079 -26.639 1.00 0.00 ATOM 384 CD2 LEU A 49 4.621 -2.784 -26.130 1.00 0.00 ATOM 385 O LEU A 49 4.046 -7.419 -26.563 1.00 0.00 ATOM 386 C LEU A 49 4.436 -7.038 -25.476 1.00 0.00 ATOM 387 N LYS A 50 5.635 -7.362 -24.979 1.00 0.00 ATOM 388 CA LYS A 50 6.574 -8.267 -25.702 1.00 0.00 ATOM 389 CB LYS A 50 7.872 -8.435 -24.910 1.00 0.00 ATOM 390 CG LYS A 50 8.746 -7.191 -24.879 1.00 0.00 ATOM 391 CD LYS A 50 10.017 -7.428 -24.080 1.00 0.00 ATOM 392 CE LYS A 50 10.878 -6.178 -24.028 1.00 0.00 ATOM 393 NZ LYS A 50 12.112 -6.386 -23.221 1.00 0.00 ATOM 394 O LYS A 50 6.124 -10.250 -26.961 1.00 0.00 ATOM 395 C LYS A 50 5.975 -9.634 -25.905 1.00 0.00 ATOM 396 N SER A 51 5.320 -10.123 -24.864 1.00 0.00 ATOM 397 CA SER A 51 4.642 -11.408 -24.912 1.00 0.00 ATOM 398 CB SER A 51 3.958 -11.704 -23.575 1.00 0.00 ATOM 399 OG SER A 51 4.912 -11.876 -22.541 1.00 0.00 ATOM 400 O SER A 51 3.493 -12.411 -26.802 1.00 0.00 ATOM 401 C SER A 51 3.560 -11.450 -26.025 1.00 0.00 ATOM 402 N VAL A 52 2.754 -10.393 -26.113 1.00 0.00 ATOM 403 CA VAL A 52 1.802 -10.202 -27.209 1.00 0.00 ATOM 404 CB VAL A 52 1.031 -8.876 -27.064 1.00 0.00 ATOM 405 CG1 VAL A 52 0.191 -8.610 -28.305 1.00 0.00 ATOM 406 CG2 VAL A 52 0.104 -8.929 -25.859 1.00 0.00 ATOM 407 O VAL A 52 2.036 -10.784 -29.520 1.00 0.00 ATOM 408 C VAL A 52 2.503 -10.160 -28.545 1.00 0.00 ATOM 409 N LYS A 53 3.680 -9.384 -28.715 1.00 0.00 ATOM 410 CA LYS A 53 4.416 -9.323 -29.975 1.00 0.00 ATOM 411 CB LYS A 53 5.742 -8.591 -29.759 1.00 0.00 ATOM 412 CG LYS A 53 6.598 -8.476 -31.011 1.00 0.00 ATOM 413 CD LYS A 53 7.867 -7.685 -30.740 1.00 0.00 ATOM 414 CE LYS A 53 8.745 -7.612 -31.979 1.00 0.00 ATOM 415 NZ LYS A 53 9.984 -6.822 -31.735 1.00 0.00 ATOM 416 O LYS A 53 4.455 -11.054 -31.631 1.00 0.00 ATOM 417 C LYS A 53 4.720 -10.742 -30.467 1.00 0.00 ATOM 418 N ILE A 54 5.277 -11.585 -29.593 1.00 0.00 ATOM 419 CA ILE A 54 5.668 -12.920 -30.017 1.00 0.00 ATOM 420 CB ILE A 54 6.474 -13.610 -28.915 1.00 0.00 ATOM 421 CG1 ILE A 54 7.809 -12.893 -28.742 1.00 0.00 ATOM 422 CG2 ILE A 54 6.659 -15.092 -29.203 1.00 0.00 ATOM 423 CD1 ILE A 54 8.567 -13.268 -27.500 1.00 0.00 ATOM 424 O ILE A 54 4.384 -14.451 -31.354 1.00 0.00 ATOM 425 C ILE A 54 4.413 -13.727 -30.340 1.00 0.00 ATOM 426 N ILE A 55 3.298 -13.709 -29.493 1.00 0.00 ATOM 427 CA ILE A 55 2.104 -14.488 -29.809 1.00 0.00 ATOM 428 CB ILE A 55 1.103 -14.302 -28.577 1.00 0.00 ATOM 429 CG1 ILE A 55 1.705 -14.864 -27.289 1.00 0.00 ATOM 430 CG2 ILE A 55 -0.232 -14.994 -28.851 1.00 0.00 ATOM 431 CD1 ILE A 55 1.937 -16.350 -27.319 1.00 0.00 ATOM 432 O ILE A 55 0.928 -14.887 -31.863 1.00 0.00 ATOM 433 C ILE A 55 1.484 -14.064 -31.140 1.00 0.00 ATOM 434 N ASP A 56 1.572 -12.760 -31.468 1.00 0.00 ATOM 435 CA ASP A 56 1.015 -12.244 -32.716 1.00 0.00 ATOM 436 CB ASP A 56 1.263 -10.746 -32.928 1.00 0.00 ATOM 437 CG ASP A 56 0.510 -10.213 -34.156 1.00 0.00 ATOM 438 OD1 ASP A 56 -0.714 -10.442 -34.264 1.00 0.00 ATOM 439 OD2 ASP A 56 1.119 -9.565 -35.021 1.00 0.00 ATOM 440 O ASP A 56 0.968 -13.255 -34.849 1.00 0.00 ATOM 441 C ASP A 56 1.653 -12.999 -33.911 1.00 0.00 ATOM 442 N PRO A 57 2.955 -13.308 -33.842 1.00 0.00 ATOM 443 CA PRO A 57 3.557 -14.132 -34.934 1.00 0.00 ATOM 444 CB PRO A 57 5.036 -14.255 -34.613 1.00 0.00 ATOM 445 CG PRO A 57 5.307 -13.011 -33.797 1.00 0.00 ATOM 446 CD PRO A 57 4.045 -12.885 -32.959 1.00 0.00 ATOM 447 O PRO A 57 2.621 -15.712 -36.473 1.00 0.00 ATOM 448 C PRO A 57 2.810 -15.424 -35.279 1.00 0.00 ATOM 449 N GLU A 58 2.193 -16.036 -34.266 1.00 0.00 ATOM 450 CA GLU A 58 1.369 -17.226 -34.430 1.00 0.00 ATOM 451 CB GLU A 58 1.453 -18.106 -33.152 1.00 0.00 ATOM 452 CG GLU A 58 0.820 -19.514 -33.257 1.00 0.00 ATOM 453 CD GLU A 58 1.379 -20.384 -34.386 1.00 0.00 ATOM 454 OE1 GLU A 58 0.590 -21.072 -35.063 1.00 0.00 ATOM 455 OE2 GLU A 58 2.603 -20.402 -34.584 1.00 0.00 ATOM 456 O GLU A 58 -0.897 -16.438 -34.316 1.00 0.00 ATOM 457 C GLU A 58 -0.021 -16.960 -35.005 1.00 0.00 ATOM 458 N GLY A 59 -0.139 -17.213 -36.375 1.00 0.00 ATOM 459 CA GLY A 59 -1.391 -16.972 -37.071 1.00 0.00 ATOM 460 O GLY A 59 -3.732 -17.398 -36.954 1.00 0.00 ATOM 461 C GLY A 59 -2.588 -17.711 -36.531 1.00 0.00 ATOM 462 N ASN A 60 -2.394 -18.646 -35.542 1.00 0.00 ATOM 463 CA ASN A 60 -3.564 -19.265 -34.863 1.00 0.00 ATOM 464 CB ASN A 60 -3.272 -20.723 -34.500 1.00 0.00 ATOM 465 CG ASN A 60 -3.203 -21.624 -35.716 1.00 0.00 ATOM 466 ND2 ASN A 60 -2.444 -22.708 -35.606 1.00 0.00 ATOM 467 OD1 ASN A 60 -3.826 -21.348 -36.742 1.00 0.00 ATOM 468 O ASN A 60 -4.918 -18.928 -32.897 1.00 0.00 ATOM 469 C ASN A 60 -3.974 -18.515 -33.579 1.00 0.00 ATOM 470 N ASP A 61 -3.317 -17.388 -33.291 1.00 0.00 ATOM 471 CA ASP A 61 -3.681 -16.566 -32.138 1.00 0.00 ATOM 472 CB ASP A 61 -2.440 -16.328 -31.254 1.00 0.00 ATOM 473 CG ASP A 61 -1.915 -17.579 -30.519 1.00 0.00 ATOM 474 OD1 ASP A 61 -2.685 -18.532 -30.241 1.00 0.00 ATOM 475 OD2 ASP A 61 -0.707 -17.654 -30.167 1.00 0.00 ATOM 476 O ASP A 61 -3.765 -14.468 -33.338 1.00 0.00 ATOM 477 C ASP A 61 -4.281 -15.202 -32.488 1.00 0.00 ATOM 478 N VAL A 62 -5.351 -14.854 -31.782 1.00 0.00 ATOM 479 CA VAL A 62 -5.859 -13.492 -31.795 1.00 0.00 ATOM 480 CB VAL A 62 -7.426 -13.462 -32.026 1.00 0.00 ATOM 481 CG1 VAL A 62 -7.803 -14.346 -33.165 1.00 0.00 ATOM 482 CG2 VAL A 62 -8.061 -14.197 -30.868 1.00 0.00 ATOM 483 O VAL A 62 -5.790 -13.269 -29.404 1.00 0.00 ATOM 484 C VAL A 62 -5.428 -12.825 -30.488 1.00 0.00 ATOM 485 N THR A 63 -4.599 -11.797 -30.595 1.00 0.00 ATOM 486 CA THR A 63 -4.082 -11.119 -29.410 1.00 0.00 ATOM 487 CB THR A 63 -2.615 -10.690 -29.599 1.00 0.00 ATOM 488 CG2 THR A 63 -1.734 -11.902 -29.855 1.00 0.00 ATOM 489 OG1 THR A 63 -2.516 -9.798 -30.717 1.00 0.00 ATOM 490 O THR A 63 -4.475 -9.098 -28.202 1.00 0.00 ATOM 491 C THR A 63 -4.895 -9.854 -29.055 1.00 0.00 ATOM 492 N PRO A 64 -5.995 -9.587 -29.767 1.00 0.00 ATOM 493 CA PRO A 64 -6.749 -8.343 -29.547 1.00 0.00 ATOM 494 CB PRO A 64 -7.885 -8.378 -30.536 1.00 0.00 ATOM 495 CG PRO A 64 -7.289 -9.105 -31.695 1.00 0.00 ATOM 496 CD PRO A 64 -6.372 -10.155 -31.104 1.00 0.00 ATOM 497 O PRO A 64 -7.241 -7.171 -27.519 1.00 0.00 ATOM 498 C PRO A 64 -7.231 -8.272 -28.110 1.00 0.00 ATOM 499 N GLU A 65 -7.685 -9.349 -27.485 1.00 0.00 ATOM 500 CA GLU A 65 -8.141 -9.363 -26.095 1.00 0.00 ATOM 501 CB GLU A 65 -8.651 -10.708 -25.696 1.00 0.00 ATOM 502 CG GLU A 65 -9.983 -11.038 -26.356 1.00 0.00 ATOM 503 CD GLU A 65 -10.383 -12.489 -26.166 1.00 0.00 ATOM 504 OE1 GLU A 65 -9.677 -13.213 -25.429 1.00 0.00 ATOM 505 OE2 GLU A 65 -11.402 -12.909 -26.760 1.00 0.00 ATOM 506 O GLU A 65 -7.146 -8.133 -24.270 1.00 0.00 ATOM 507 C GLU A 65 -6.989 -8.969 -25.169 1.00 0.00 ATOM 508 N LYS A 66 -5.817 -9.554 -25.412 1.00 0.00 ATOM 509 CA LYS A 66 -4.622 -9.239 -24.614 1.00 0.00 ATOM 510 CB LYS A 66 -3.462 -10.159 -25.002 1.00 0.00 ATOM 511 CG LYS A 66 -3.645 -11.605 -24.569 1.00 0.00 ATOM 512 CD LYS A 66 -2.457 -12.460 -24.981 1.00 0.00 ATOM 513 CE LYS A 66 -2.656 -13.911 -24.579 1.00 0.00 ATOM 514 NZ LYS A 66 -1.510 -14.765 -24.997 1.00 0.00 ATOM 515 O LYS A 66 -3.809 -7.100 -23.884 1.00 0.00 ATOM 516 C LYS A 66 -4.201 -7.801 -24.805 1.00 0.00 ATOM 517 N LEU A 67 -4.254 -7.344 -26.067 1.00 0.00 ATOM 518 CA LEU A 67 -3.942 -5.949 -26.361 1.00 0.00 ATOM 519 CB LEU A 67 -4.109 -5.663 -27.854 1.00 0.00 ATOM 520 CG LEU A 67 -3.046 -6.258 -28.780 1.00 0.00 ATOM 521 CD1 LEU A 67 -3.429 -6.054 -30.238 1.00 0.00 ATOM 522 CD2 LEU A 67 -1.697 -5.595 -28.546 1.00 0.00 ATOM 523 O LEU A 67 -4.443 -3.994 -25.052 1.00 0.00 ATOM 524 C LEU A 67 -4.892 -4.990 -25.619 1.00 0.00 ATOM 525 N LYS A 68 -6.185 -5.312 -25.575 1.00 0.00 ATOM 526 CA LYS A 68 -7.134 -4.467 -24.796 1.00 0.00 ATOM 527 CB LYS A 68 -8.568 -4.966 -24.978 1.00 0.00 ATOM 528 CG LYS A 68 -9.141 -4.719 -26.364 1.00 0.00 ATOM 529 CD LYS A 68 -10.566 -5.236 -26.474 1.00 0.00 ATOM 530 CE LYS A 68 -11.130 -5.010 -27.868 1.00 0.00 ATOM 531 NZ LYS A 68 -12.514 -5.542 -27.999 1.00 0.00 ATOM 532 O LYS A 68 -6.861 -3.462 -22.637 1.00 0.00 ATOM 533 C LYS A 68 -6.806 -4.493 -23.309 1.00 0.00 ATOM 534 N ARG A 69 -6.437 -5.632 -22.734 1.00 0.00 ATOM 535 CA ARG A 69 -6.079 -5.703 -21.328 1.00 0.00 ATOM 536 CB ARG A 69 -5.796 -7.162 -20.932 1.00 0.00 ATOM 537 CG ARG A 69 -7.046 -8.041 -20.948 1.00 0.00 ATOM 538 CD ARG A 69 -6.706 -9.516 -20.789 1.00 0.00 ATOM 539 NE ARG A 69 -6.121 -9.820 -19.484 1.00 0.00 ATOM 540 CZ ARG A 69 -6.814 -9.971 -18.358 1.00 0.00 ATOM 541 NH1 ARG A 69 -8.137 -9.850 -18.350 1.00 0.00 ATOM 542 NH2 ARG A 69 -6.176 -10.247 -17.228 1.00 0.00 ATOM 543 O ARG A 69 -4.861 -4.129 -19.988 1.00 0.00 ATOM 544 C ARG A 69 -4.877 -4.826 -20.999 1.00 0.00 ATOM 545 N GLU A 70 -3.861 -4.865 -21.855 1.00 0.00 ATOM 546 CA GLU A 70 -2.655 -4.073 -21.653 1.00 0.00 ATOM 547 CB GLU A 70 -1.589 -4.451 -22.684 1.00 0.00 ATOM 548 CG GLU A 70 -0.266 -3.723 -22.505 1.00 0.00 ATOM 549 CD GLU A 70 0.782 -4.166 -23.506 1.00 0.00 ATOM 550 OE1 GLU A 70 0.478 -5.049 -24.334 1.00 0.00 ATOM 551 OE2 GLU A 70 1.909 -3.628 -23.461 1.00 0.00 ATOM 552 O GLU A 70 -2.387 -1.742 -21.096 1.00 0.00 ATOM 553 C GLU A 70 -2.964 -2.582 -21.796 1.00 0.00 ATOM 554 N GLN A 71 -3.799 -2.227 -22.767 1.00 0.00 ATOM 555 CA GLN A 71 -4.193 -0.833 -22.893 1.00 0.00 ATOM 556 CB GLN A 71 -5.166 -0.655 -24.061 1.00 0.00 ATOM 557 CG GLN A 71 -4.530 -0.828 -25.430 1.00 0.00 ATOM 558 CD GLN A 71 -5.543 -0.756 -26.556 1.00 0.00 ATOM 559 OE1 GLN A 71 -6.747 -0.667 -26.316 1.00 0.00 ATOM 560 NE2 GLN A 71 -5.056 -0.796 -27.791 1.00 0.00 ATOM 561 O GLN A 71 -4.618 0.745 -21.155 1.00 0.00 ATOM 562 C GLN A 71 -4.886 -0.333 -21.629 1.00 0.00 ATOM 563 N ARG A 72 -5.758 -1.174 -21.083 1.00 0.00 ATOM 564 CA ARG A 72 -6.472 -0.878 -19.834 1.00 0.00 ATOM 565 CB ARG A 72 -7.430 -2.008 -19.486 1.00 0.00 ATOM 566 CG ARG A 72 -8.411 -1.640 -18.368 1.00 0.00 ATOM 567 CD ARG A 72 -9.364 -2.796 -18.070 1.00 0.00 ATOM 568 NE ARG A 72 -8.622 -3.915 -17.466 1.00 0.00 ATOM 569 CZ ARG A 72 -8.323 -5.053 -18.084 1.00 0.00 ATOM 570 NH1 ARG A 72 -8.705 -5.293 -19.349 1.00 0.00 ATOM 571 NH2 ARG A 72 -7.577 -5.942 -17.440 1.00 0.00 ATOM 572 O ARG A 72 -5.686 0.248 -17.856 1.00 0.00 ATOM 573 C ARG A 72 -5.516 -0.670 -18.663 1.00 0.00 ATOM 574 N ASN A 73 -4.549 -1.541 -18.590 1.00 0.00 ATOM 575 CA ASN A 73 -3.566 -1.445 -17.523 1.00 0.00 ATOM 576 CB ASN A 73 -2.626 -2.634 -17.582 1.00 0.00 ATOM 577 CG ASN A 73 -3.292 -3.912 -17.124 1.00 0.00 ATOM 578 ND2 ASN A 73 -2.676 -5.048 -17.425 1.00 0.00 ATOM 579 OD1 ASN A 73 -4.363 -3.875 -16.510 1.00 0.00 ATOM 580 O ASN A 73 -2.460 0.504 -16.674 1.00 0.00 ATOM 581 C ASN A 73 -2.784 -0.143 -17.665 1.00 0.00 ATOM 582 N ASN A 74 -2.454 0.214 -18.913 1.00 0.00 ATOM 583 CA ASN A 74 -1.708 1.447 -19.142 1.00 0.00 ATOM 584 CB ASN A 74 -1.374 1.577 -20.630 1.00 0.00 ATOM 585 CG ASN A 74 -0.498 2.777 -20.927 1.00 0.00 ATOM 586 ND2 ASN A 74 -1.026 3.714 -21.707 1.00 0.00 ATOM 587 OD1 ASN A 74 0.639 2.859 -20.461 1.00 0.00 ATOM 588 O ASN A 74 -2.026 3.549 -18.020 1.00 0.00 ATOM 589 C ASN A 74 -2.546 2.630 -18.655 1.00 0.00 ATOM 590 N LYS A 75 -3.866 2.610 -18.944 1.00 0.00 ATOM 591 CA LYS A 75 -4.752 3.690 -18.525 1.00 0.00 ATOM 592 CB LYS A 75 -6.167 3.473 -19.063 1.00 0.00 ATOM 593 CG LYS A 75 -6.293 3.645 -20.569 1.00 0.00 ATOM 594 CD LYS A 75 -7.723 3.420 -21.034 1.00 0.00 ATOM 595 CE LYS A 75 -7.840 3.560 -22.542 1.00 0.00 ATOM 596 NZ LYS A 75 -9.232 3.319 -23.016 1.00 0.00 ATOM 597 O LYS A 75 -4.788 4.834 -16.417 1.00 0.00 ATOM 598 C LYS A 75 -4.809 3.753 -16.995 1.00 0.00 ATOM 599 N LEU A 76 -4.905 2.595 -16.343 1.00 0.00 ATOM 600 CA LEU A 76 -4.962 2.566 -14.880 1.00 0.00 ATOM 601 CB LEU A 76 -5.056 1.107 -14.424 1.00 0.00 ATOM 602 CG LEU A 76 -5.084 0.870 -12.913 1.00 0.00 ATOM 603 CD1 LEU A 76 -6.302 1.531 -12.285 1.00 0.00 ATOM 604 CD2 LEU A 76 -5.137 -0.618 -12.603 1.00 0.00 ATOM 605 O LEU A 76 -3.739 3.895 -13.314 1.00 0.00 ATOM 606 C LEU A 76 -3.689 3.152 -14.289 1.00 0.00 ATOM 607 N HIS A 77 -2.527 2.760 -14.833 1.00 0.00 ATOM 608 CA HIS A 77 -1.262 3.279 -14.341 1.00 0.00 ATOM 609 CB HIS A 77 -0.073 2.683 -15.050 1.00 0.00 ATOM 610 CG HIS A 77 1.237 3.252 -14.595 1.00 0.00 ATOM 611 CD2 HIS A 77 2.099 4.103 -15.200 1.00 0.00 ATOM 612 ND1 HIS A 77 1.769 2.992 -13.350 1.00 0.00 ATOM 613 CE1 HIS A 77 2.900 3.660 -13.206 1.00 0.00 ATOM 614 NE2 HIS A 77 3.123 4.342 -14.314 1.00 0.00 ATOM 615 O HIS A 77 -0.695 5.413 -13.487 1.00 0.00 ATOM 616 C HIS A 77 -1.193 4.777 -14.415 1.00 0.00 ATOM 617 N LEU A 78 -1.658 5.356 -15.547 1.00 0.00 ATOM 618 CA LEU A 78 -1.662 6.814 -15.732 1.00 0.00 ATOM 619 CB LEU A 78 -2.142 7.171 -17.140 1.00 0.00 ATOM 620 CG LEU A 78 -1.216 6.779 -18.292 1.00 0.00 ATOM 621 CD1 LEU A 78 -1.891 7.027 -19.634 1.00 0.00 ATOM 622 CD2 LEU A 78 0.069 7.591 -18.250 1.00 0.00 ATOM 623 O LEU A 78 -2.173 8.528 -14.128 1.00 0.00 ATOM 624 C LEU A 78 -2.554 7.510 -14.709 1.00 0.00 ATOM 625 N GLU A 79 -3.759 6.968 -14.467 1.00 0.00 ATOM 626 CA GLU A 79 -4.683 7.544 -13.493 1.00 0.00 ATOM 627 CB GLU A 79 -6.002 6.768 -13.488 1.00 0.00 ATOM 628 CG GLU A 79 -6.831 6.946 -14.750 1.00 0.00 ATOM 629 CD GLU A 79 -8.068 6.069 -14.764 1.00 0.00 ATOM 630 OE1 GLU A 79 -8.238 5.268 -13.819 1.00 0.00 ATOM 631 OE2 GLU A 79 -8.867 6.183 -15.717 1.00 0.00 ATOM 632 O GLU A 79 -4.116 8.465 -11.343 1.00 0.00 ATOM 633 C GLU A 79 -4.050 7.490 -12.100 1.00 0.00 ATOM 634 N HIS A 80 -3.432 6.363 -11.771 1.00 0.00 ATOM 635 CA HIS A 80 -2.826 6.181 -10.441 1.00 0.00 ATOM 636 CB HIS A 80 -2.311 4.749 -10.278 1.00 0.00 ATOM 637 CG HIS A 80 -1.708 4.472 -8.936 1.00 0.00 ATOM 638 CD2 HIS A 80 -0.366 4.216 -8.434 1.00 0.00 ATOM 639 ND1 HIS A 80 -2.458 4.407 -7.782 1.00 0.00 ATOM 640 CE1 HIS A 80 -1.643 4.147 -6.745 1.00 0.00 ATOM 641 NE2 HIS A 80 -0.387 4.031 -7.128 1.00 0.00 ATOM 642 O HIS A 80 -1.504 7.678 -9.088 1.00 0.00 ATOM 643 C HIS A 80 -1.634 7.124 -10.188 1.00 0.00 ATOM 644 N HIS A 81 -0.760 7.261 -11.178 1.00 0.00 ATOM 645 CA HIS A 81 0.437 8.103 -11.057 1.00 0.00 ATOM 646 CB HIS A 81 1.260 8.054 -12.346 1.00 0.00 ATOM 647 CG HIS A 81 2.503 8.886 -12.300 1.00 0.00 ATOM 648 CD2 HIS A 81 2.938 10.135 -12.909 1.00 0.00 ATOM 649 ND1 HIS A 81 3.606 8.538 -11.552 1.00 0.00 ATOM 650 CE1 HIS A 81 4.558 9.474 -11.712 1.00 0.00 ATOM 651 NE2 HIS A 81 4.164 10.436 -12.525 1.00 0.00 ATOM 652 O HIS A 81 0.667 10.214 -9.931 1.00 0.00 ATOM 653 C HIS A 81 0.065 9.552 -10.790 1.00 0.00 ATOM 654 N HIS A 82 -0.941 10.033 -11.512 1.00 0.00 ATOM 655 CA HIS A 82 -1.412 11.402 -11.325 1.00 0.00 ATOM 656 CB HIS A 82 -2.513 11.734 -12.334 1.00 0.00 ATOM 657 CG HIS A 82 -3.091 13.105 -12.170 1.00 0.00 ATOM 658 CD2 HIS A 82 -4.335 13.654 -11.652 1.00 0.00 ATOM 659 ND1 HIS A 82 -2.415 14.246 -12.549 1.00 0.00 ATOM 660 CE1 HIS A 82 -3.182 15.318 -12.280 1.00 0.00 ATOM 661 NE2 HIS A 82 -4.335 14.969 -11.741 1.00 0.00 ATOM 662 O HIS A 82 -1.703 12.644 -9.278 1.00 0.00 ATOM 663 C HIS A 82 -1.996 11.626 -9.913 1.00 0.00 ATOM 664 N HIS A 83 -2.831 10.659 -9.451 1.00 0.00 ATOM 665 CA HIS A 83 -3.331 10.762 -8.058 1.00 0.00 ATOM 666 CB HIS A 83 -4.169 9.533 -7.700 1.00 0.00 ATOM 667 CG HIS A 83 -4.640 9.517 -6.279 1.00 0.00 ATOM 668 CD2 HIS A 83 -4.254 8.814 -5.063 1.00 0.00 ATOM 669 ND1 HIS A 83 -5.687 10.295 -5.833 1.00 0.00 ATOM 670 CE1 HIS A 83 -5.876 10.065 -4.521 1.00 0.00 ATOM 671 NE2 HIS A 83 -5.019 9.177 -4.054 1.00 0.00 ATOM 672 O HIS A 83 -2.151 11.658 -6.134 1.00 0.00 ATOM 673 C HIS A 83 -2.171 10.807 -7.039 1.00 0.00 ATOM 674 N HIS A 84 -1.192 9.921 -7.236 1.00 0.00 ATOM 675 CA HIS A 84 -0.030 9.882 -6.354 1.00 0.00 ATOM 676 CB HIS A 84 0.906 8.756 -6.802 1.00 0.00 ATOM 677 CG HIS A 84 2.166 8.665 -6.000 1.00 0.00 ATOM 678 CD2 HIS A 84 3.565 9.003 -6.222 1.00 0.00 ATOM 679 ND1 HIS A 84 2.198 8.165 -4.716 1.00 0.00 ATOM 680 CE1 HIS A 84 3.462 8.210 -4.260 1.00 0.00 ATOM 681 NE2 HIS A 84 4.287 8.711 -5.158 1.00 0.00 ATOM 682 O HIS A 84 1.174 11.765 -5.407 1.00 0.00 ATOM 683 C HIS A 84 0.784 11.191 -6.438 1.00 0.00 ATOM 684 N HIS A 85 1.003 11.669 -7.652 1.00 0.00 ATOM 685 CA HIS A 85 1.739 12.911 -7.859 1.00 0.00 ATOM 686 CB HIS A 85 1.884 13.186 -9.357 1.00 0.00 ATOM 687 CG HIS A 85 2.641 14.438 -9.671 1.00 0.00 ATOM 688 CD2 HIS A 85 2.303 15.754 -10.193 1.00 0.00 ATOM 689 ND1 HIS A 85 4.002 14.551 -9.483 1.00 0.00 ATOM 690 CE1 HIS A 85 4.395 15.784 -9.851 1.00 0.00 ATOM 691 NE2 HIS A 85 3.380 16.511 -10.279 1.00 0.00 ATOM 692 O HIS A 85 1.708 15.058 -6.787 1.00 0.00 ATOM 693 C HIS A 85 1.039 14.135 -7.249 1.00 0.00 ENDMDL EXPDTA 2hepA MODEL 2 REMARK 44 REMARK 44 model 2 is called 2hepA ATOM 1 N MET 1 3.740 -3.280 -15.260 1.00 0.00 ATOM 2 CA MET 1 3.354 -4.585 -15.872 1.00 0.00 ATOM 3 CB MET 1 4.536 -5.151 -16.672 1.00 0.00 ATOM 4 CG MET 1 5.857 -4.798 -15.980 1.00 0.00 ATOM 5 SD MET 1 7.163 -5.901 -16.577 1.00 0.00 ATOM 6 CE MET 1 7.196 -5.323 -18.294 1.00 0.00 ATOM 7 O MET 1 2.367 -6.614 -15.052 1.00 0.00 ATOM 8 C MET 1 2.951 -5.565 -14.774 1.00 0.00 ATOM 9 N ILE 2 3.266 -5.218 -13.528 1.00 0.00 ATOM 10 CA ILE 2 2.933 -6.076 -12.395 1.00 0.00 ATOM 11 CB ILE 2 3.714 -5.633 -11.153 1.00 0.00 ATOM 12 CG1 ILE 2 5.222 -5.681 -11.441 1.00 0.00 ATOM 13 CG2 ILE 2 3.391 -6.566 -9.983 1.00 0.00 ATOM 14 CD1 ILE 2 5.632 -7.091 -11.881 1.00 0.00 ATOM 15 O ILE 2 0.780 -5.008 -12.342 1.00 0.00 ATOM 16 C ILE 2 1.435 -6.025 -12.105 1.00 0.00 ATOM 17 N SER 3 0.904 -7.131 -11.590 1.00 0.00 ATOM 18 CA SER 3 -0.519 -7.214 -11.267 1.00 0.00 ATOM 19 CB SER 3 -1.348 -7.202 -12.555 1.00 0.00 ATOM 20 OG SER 3 -1.069 -8.375 -13.310 1.00 0.00 ATOM 21 O SER 3 -1.966 -8.934 -10.419 1.00 0.00 ATOM 22 C SER 3 -0.819 -8.487 -10.476 1.00 0.00 ATOM 23 N ASN 4 0.215 -9.066 -9.869 1.00 0.00 ATOM 24 CA ASN 4 0.044 -10.289 -9.088 1.00 0.00 ATOM 25 CB ASN 4 1.392 -11.008 -8.932 1.00 0.00 ATOM 26 CG ASN 4 2.423 -10.084 -8.288 1.00 0.00 ATOM 27 ND2 ASN 4 2.545 -10.058 -6.990 1.00 0.00 ATOM 28 OD1 ASN 4 3.140 -9.371 -8.988 1.00 0.00 ATOM 29 O ASN 4 -1.220 -8.956 -7.536 1.00 0.00 ATOM 30 C ASN 4 -0.556 -9.979 -7.715 1.00 0.00 ATOM 31 N ALA 5 -0.327 -10.874 -6.753 1.00 0.00 ATOM 32 CA ALA 5 -0.854 -10.700 -5.400 1.00 0.00 ATOM 33 CB ALA 5 -0.386 -11.855 -4.511 1.00 0.00 ATOM 34 O ALA 5 -0.907 -8.960 -3.747 1.00 0.00 ATOM 35 C ALA 5 -0.403 -9.373 -4.791 1.00 0.00 ATOM 36 N LYS 6 0.545 -8.708 -5.448 1.00 0.00 ATOM 37 CA LYS 6 1.047 -7.430 -4.956 1.00 0.00 ATOM 38 CB LYS 6 2.278 -7.006 -5.764 1.00 0.00 ATOM 39 CG LYS 6 2.745 -5.619 -5.306 1.00 0.00 ATOM 40 CD LYS 6 4.120 -5.312 -5.907 1.00 0.00 ATOM 41 CE LYS 6 5.201 -6.098 -5.160 1.00 0.00 ATOM 42 NZ LYS 6 6.460 -5.300 -5.125 1.00 0.00 ATOM 43 O LYS 6 -0.430 -5.761 -4.066 1.00 0.00 ATOM 44 C LYS 6 -0.036 -6.361 -5.066 1.00 0.00 ATOM 45 N ILE 7 -0.516 -6.135 -6.287 1.00 0.00 ATOM 46 CA ILE 7 -1.560 -5.142 -6.521 1.00 0.00 ATOM 47 CB ILE 7 -1.959 -5.144 -8.006 1.00 0.00 ATOM 48 CG1 ILE 7 -0.968 -4.282 -8.803 1.00 0.00 ATOM 49 CG2 ILE 7 -3.373 -4.573 -8.175 1.00 0.00 ATOM 50 CD1 ILE 7 0.429 -4.910 -8.757 1.00 0.00 ATOM 51 O ILE 7 -3.331 -4.550 -5.007 1.00 0.00 ATOM 52 C ILE 7 -2.776 -5.443 -5.649 1.00 0.00 ATOM 53 N ALA 8 -3.179 -6.711 -5.632 1.00 0.00 ATOM 54 CA ALA 8 -4.327 -7.135 -4.839 1.00 0.00 ATOM 55 CB ALA 8 -4.557 -8.637 -5.021 1.00 0.00 ATOM 56 O ALA 8 -4.991 -6.280 -2.694 1.00 0.00 ATOM 57 C ALA 8 -4.111 -6.829 -3.357 1.00 0.00 ATOM 58 N ARG 9 -2.936 -7.191 -2.848 1.00 0.00 ATOM 59 CA ARG 9 -2.610 -6.957 -1.443 1.00 0.00 ATOM 60 CB ARG 9 -1.213 -7.511 -1.136 1.00 0.00 ATOM 61 CG ARG 9 -0.848 -7.242 0.329 1.00 0.00 ATOM 62 CD ARG 9 -1.827 -7.973 1.250 1.00 0.00 ATOM 63 NE ARG 9 -1.212 -8.214 2.552 1.00 0.00 ATOM 64 CZ ARG 9 -1.716 -9.105 3.401 1.00 0.00 ATOM 65 NH1 ARG 9 -2.781 -9.790 3.080 1.00 0.00 ATOM 66 NH2 ARG 9 -1.146 -9.293 4.559 1.00 0.00 ATOM 67 O ARG 9 -3.288 -5.057 -0.139 1.00 0.00 ATOM 68 C ARG 9 -2.657 -5.467 -1.114 1.00 0.00 ATOM 69 N ILE 10 -1.978 -4.667 -1.931 1.00 0.00 ATOM 70 CA ILE 10 -1.935 -3.222 -1.722 1.00 0.00 ATOM 71 CB ILE 10 -1.213 -2.546 -2.894 1.00 0.00 ATOM 72 CG1 ILE 10 0.280 -2.893 -2.840 1.00 0.00 ATOM 73 CG2 ILE 10 -1.382 -1.026 -2.801 1.00 0.00 ATOM 74 CD1 ILE 10 0.936 -2.560 -4.182 1.00 0.00 ATOM 75 O ILE 10 -3.643 -1.966 -0.596 1.00 0.00 ATOM 76 C ILE 10 -3.344 -2.646 -1.577 1.00 0.00 ATOM 77 N ASN 11 -4.201 -2.917 -2.560 1.00 0.00 ATOM 78 CA ASN 11 -5.570 -2.410 -2.529 1.00 0.00 ATOM 79 CB ASN 11 -6.314 -2.823 -3.811 1.00 0.00 ATOM 80 CG ASN 11 -7.230 -4.024 -3.567 1.00 0.00 ATOM 81 ND2 ASN 11 -6.990 -5.145 -4.186 1.00 0.00 ATOM 82 OD1 ASN 11 -8.194 -3.934 -2.806 1.00 0.00 ATOM 83 O ASN 11 -7.062 -2.178 -0.662 1.00 0.00 ATOM 84 C ASN 11 -6.305 -2.918 -1.291 1.00 0.00 ATOM 85 N GLU 12 -6.078 -4.183 -0.950 1.00 0.00 ATOM 86 CA GLU 12 -6.726 -4.779 0.213 1.00 0.00 ATOM 87 CB GLU 12 -6.326 -6.253 0.343 1.00 0.00 ATOM 88 CG GLU 12 -7.236 -7.118 -0.536 1.00 0.00 ATOM 89 CD GLU 12 -8.685 -7.013 -0.064 1.00 0.00 ATOM 90 OE1 GLU 12 -8.963 -7.450 1.041 1.00 0.00 ATOM 91 OE2 GLU 12 -9.496 -6.496 -0.815 1.00 0.00 ATOM 92 O GLU 12 -7.206 -3.495 2.182 1.00 0.00 ATOM 93 C GLU 12 -6.344 -4.031 1.486 1.00 0.00 ATOM 94 N LEU 13 -5.048 -4.002 1.786 1.00 0.00 ATOM 95 CA LEU 13 -4.558 -3.324 2.984 1.00 0.00 ATOM 96 CB LEU 13 -3.034 -3.457 3.070 1.00 0.00 ATOM 97 CG LEU 13 -2.607 -3.619 4.534 1.00 0.00 ATOM 98 CD1 LEU 13 -1.130 -4.016 4.593 1.00 0.00 ATOM 99 CD2 LEU 13 -2.803 -2.294 5.280 1.00 0.00 ATOM 100 O LEU 13 -5.428 -1.312 3.965 1.00 0.00 ATOM 101 C LEU 13 -4.941 -1.845 2.968 1.00 0.00 ATOM 102 N ALA 14 -4.711 -1.191 1.833 1.00 0.00 ATOM 103 CA ALA 14 -5.027 0.228 1.696 1.00 0.00 ATOM 104 CB ALA 14 -4.743 0.690 0.265 1.00 0.00 ATOM 105 O ALA 14 -6.790 1.312 2.909 1.00 0.00 ATOM 106 C ALA 14 -6.489 0.499 2.036 1.00 0.00 ATOM 107 N ALA 15 -7.392 -0.182 1.335 1.00 0.00 ATOM 108 CA ALA 15 -8.825 -0.002 1.559 1.00 0.00 ATOM 109 CB ALA 15 -9.615 -0.875 0.582 1.00 0.00 ATOM 110 O ALA 15 -10.055 0.293 3.601 1.00 0.00 ATOM 111 C ALA 15 -9.211 -0.366 2.992 1.00 0.00 ATOM 112 N LYS 16 -8.588 -1.413 3.525 1.00 0.00 ATOM 113 CA LYS 16 -8.871 -1.853 4.888 1.00 0.00 ATOM 114 CB LYS 16 -8.105 -3.142 5.203 1.00 0.00 ATOM 115 CG LYS 16 -9.059 -4.340 5.126 1.00 0.00 ATOM 116 CD LYS 16 -9.439 -4.615 3.664 1.00 0.00 ATOM 117 CE LYS 16 -10.820 -5.275 3.604 1.00 0.00 ATOM 118 NZ LYS 16 -10.778 -6.589 4.307 1.00 0.00 ATOM 119 O LYS 16 -9.336 -0.217 6.579 1.00 0.00 ATOM 120 C LYS 16 -8.485 -0.765 5.878 1.00 0.00 ATOM 121 N ALA 17 -7.192 -0.454 5.920 1.00 0.00 ATOM 122 CA ALA 17 -6.689 0.577 6.816 1.00 0.00 ATOM 123 CB ALA 17 -5.180 0.744 6.623 1.00 0.00 ATOM 124 O ALA 17 -7.495 2.753 7.421 1.00 0.00 ATOM 125 C ALA 17 -7.388 1.903 6.539 1.00 0.00 ATOM 126 N LYS 18 -7.866 2.070 5.306 1.00 0.00 ATOM 127 CA LYS 18 -8.556 3.302 4.930 1.00 0.00 ATOM 128 CB LYS 18 -8.659 3.411 3.404 1.00 0.00 ATOM 129 CG LYS 18 -9.584 4.576 3.031 1.00 0.00 ATOM 130 CD LYS 18 -9.264 5.054 1.612 1.00 0.00 ATOM 131 CE LYS 18 -10.204 6.202 1.233 1.00 0.00 ATOM 132 NZ LYS 18 -11.587 5.674 1.065 1.00 0.00 ATOM 133 O LYS 18 -10.289 4.267 6.282 1.00 0.00 ATOM 134 C LYS 18 -9.953 3.341 5.543 1.00 0.00 ATOM 135 N ALA 19 -10.761 2.330 5.230 1.00 0.00 ATOM 136 CA ALA 19 -12.122 2.256 5.752 1.00 0.00 ATOM 137 CB ALA 19 -12.927 1.219 4.962 1.00 0.00 ATOM 138 O ALA 19 -13.175 1.786 7.859 1.00 0.00 ATOM 139 C ALA 19 -12.118 1.878 7.232 1.00 0.00 ATOM 140 N GLY 20 -10.924 1.664 7.786 1.00 0.00 ATOM 141 CA GLY 20 -10.797 1.298 9.193 1.00 0.00 ATOM 142 O GLY 20 -11.257 3.084 10.725 1.00 0.00 ATOM 143 C GLY 20 -10.413 2.507 10.040 1.00 0.00 ATOM 144 N VAL 21 -9.137 2.889 9.980 1.00 0.00 ATOM 145 CA VAL 21 -8.644 4.037 10.742 1.00 0.00 ATOM 146 CB VAL 21 -8.322 3.630 12.189 1.00 0.00 ATOM 147 CG1 VAL 21 -9.619 3.380 12.968 1.00 0.00 ATOM 148 CG2 VAL 21 -7.473 2.354 12.193 1.00 0.00 ATOM 149 O VAL 21 -7.198 5.825 10.048 1.00 0.00 ATOM 150 C VAL 21 -7.388 4.609 10.090 1.00 0.00 ATOM 151 N ILE 22 -6.535 3.715 9.590 1.00 0.00 ATOM 152 CA ILE 22 -5.284 4.109 8.942 1.00 0.00 ATOM 153 CB ILE 22 -5.554 5.135 7.818 1.00 0.00 ATOM 154 CG1 ILE 22 -4.997 4.598 6.488 1.00 0.00 ATOM 155 CG2 ILE 22 -4.897 6.487 8.137 1.00 0.00 ATOM 156 CD1 ILE 22 -3.515 4.234 6.638 1.00 0.00 ATOM 157 O ILE 22 -4.669 5.506 10.802 1.00 0.00 ATOM 158 C ILE 22 -4.305 4.669 9.974 1.00 0.00 ATOM 159 N THR 23 -3.065 4.191 9.920 1.00 0.00 ATOM 160 CA THR 23 -2.035 4.638 10.854 1.00 0.00 ATOM 161 CB THR 23 -1.736 3.533 11.876 1.00 0.00 ATOM 162 CG2 THR 23 -3.042 3.047 12.509 1.00 0.00 ATOM 163 OG1 THR 23 -1.090 2.447 11.226 1.00 0.00 ATOM 164 O THR 23 -0.469 4.444 9.046 1.00 0.00 ATOM 165 C THR 23 -0.756 4.999 10.107 1.00 0.00 ATOM 166 N GLU 24 0.009 5.929 10.674 1.00 0.00 ATOM 167 CA GLU 24 1.264 6.359 10.063 1.00 0.00 ATOM 168 CB GLU 24 2.036 7.249 11.043 1.00 0.00 ATOM 169 CG GLU 24 3.274 7.834 10.353 1.00 0.00 ATOM 170 CD GLU 24 4.266 8.347 11.396 1.00 0.00 ATOM 171 OE1 GLU 24 3.823 8.929 12.374 1.00 0.00 ATOM 172 OE2 GLU 24 5.455 8.153 11.200 1.00 0.00 ATOM 173 O GLU 24 2.709 5.106 8.609 1.00 0.00 ATOM 174 C GLU 24 2.118 5.150 9.688 1.00 0.00 ATOM 175 N GLU 25 2.172 4.171 10.589 1.00 0.00 ATOM 176 CA GLU 25 2.952 2.959 10.353 1.00 0.00 ATOM 177 CB GLU 25 2.843 2.018 11.559 1.00 0.00 ATOM 178 CG GLU 25 3.050 2.806 12.859 1.00 0.00 ATOM 179 CD GLU 25 4.290 3.692 12.752 1.00 0.00 ATOM 180 OE1 GLU 25 4.128 4.892 12.594 1.00 0.00 ATOM 181 OE2 GLU 25 5.384 3.157 12.827 1.00 0.00 ATOM 182 O GLU 25 3.245 1.943 8.197 1.00 0.00 ATOM 183 C GLU 25 2.461 2.242 9.099 1.00 0.00 ATOM 184 N GLU 26 1.158 1.974 9.048 1.00 0.00 ATOM 185 CA GLU 26 0.569 1.294 7.898 1.00 0.00 ATOM 186 CB GLU 26 -0.924 1.049 8.139 1.00 0.00 ATOM 187 CG GLU 26 -1.109 -0.037 9.202 1.00 0.00 ATOM 188 CD GLU 26 -2.595 -0.221 9.499 1.00 0.00 ATOM 189 OE1 GLU 26 -3.238 -0.961 8.772 1.00 0.00 ATOM 190 OE2 GLU 26 -3.070 0.385 10.446 1.00 0.00 ATOM 191 O GLU 26 1.247 1.652 5.626 1.00 0.00 ATOM 192 C GLU 26 0.745 2.136 6.640 1.00 0.00 ATOM 193 N LYS 27 0.330 3.398 6.720 1.00 0.00 ATOM 194 CA LYS 27 0.440 4.314 5.588 1.00 0.00 ATOM 195 CB LYS 27 0.023 5.722 6.023 1.00 0.00 ATOM 196 CG LYS 27 -0.150 6.619 4.794 1.00 0.00 ATOM 197 CD LYS 27 -0.496 8.041 5.247 1.00 0.00 ATOM 198 CE LYS 27 -0.860 8.898 4.032 1.00 0.00 ATOM 199 NZ LYS 27 0.347 9.097 3.180 1.00 0.00 ATOM 200 O LYS 27 2.079 4.396 3.832 1.00 0.00 ATOM 201 C LYS 27 1.870 4.340 5.045 1.00 0.00 ATOM 202 N ALA 28 2.849 4.298 5.949 1.00 0.00 ATOM 203 CA ALA 28 4.254 4.317 5.545 1.00 0.00 ATOM 204 CB ALA 28 5.155 4.331 6.783 1.00 0.00 ATOM 205 O ALA 28 5.273 3.215 3.670 1.00 0.00 ATOM 206 C ALA 28 4.585 3.100 4.684 1.00 0.00 ATOM 207 N GLU 29 4.088 1.936 5.095 1.00 0.00 ATOM 208 CA GLU 29 4.334 0.704 4.350 1.00 0.00 ATOM 209 CB GLU 29 3.645 -0.476 5.044 1.00 0.00 ATOM 210 CG GLU 29 4.642 -1.185 5.967 1.00 0.00 ATOM 211 CD GLU 29 4.918 -0.330 7.202 1.00 0.00 ATOM 212 OE1 GLU 29 5.710 0.593 7.097 1.00 0.00 ATOM 213 OE2 GLU 29 4.333 -0.610 8.236 1.00 0.00 ATOM 214 O GLU 29 4.589 0.709 1.963 1.00 0.00 ATOM 215 C GLU 29 3.822 0.834 2.917 1.00 0.00 ATOM 216 N GLN 30 2.522 1.087 2.775 1.00 0.00 ATOM 217 CA GLN 30 1.914 1.236 1.452 1.00 0.00 ATOM 218 CB GLN 30 0.461 1.717 1.578 1.00 0.00 ATOM 219 CG GLN 30 -0.146 1.217 2.892 1.00 0.00 ATOM 220 CD GLN 30 -1.665 1.362 2.864 1.00 0.00 ATOM 221 OE1 GLN 30 -2.231 1.824 1.872 1.00 0.00 ATOM 222 NE2 GLN 30 -2.363 0.997 3.904 1.00 0.00 ATOM 223 O GLN 30 2.727 2.127 -0.626 1.00 0.00 ATOM 224 C GLN 30 2.702 2.230 0.601 1.00 0.00 ATOM 225 N GLN 31 3.337 3.196 1.263 1.00 0.00 ATOM 226 CA GLN 31 4.118 4.212 0.564 1.00 0.00 ATOM 227 CB GLN 31 4.760 5.166 1.576 1.00 0.00 ATOM 228 CG GLN 31 5.015 6.524 0.915 1.00 0.00 ATOM 229 CD GLN 31 5.987 7.345 1.758 1.00 0.00 ATOM 230 OE1 GLN 31 6.105 7.128 2.965 1.00 0.00 ATOM 231 NE2 GLN 31 6.695 8.283 1.191 1.00 0.00 ATOM 232 O GLN 31 5.225 3.758 -1.513 1.00 0.00 ATOM 233 C GLN 31 5.205 3.575 -0.297 1.00 0.00 ATOM 234 N LYS 32 6.113 2.836 0.338 1.00 0.00 ATOM 235 CA LYS 32 7.203 2.190 -0.388 1.00 0.00 ATOM 236 CB LYS 32 8.117 1.436 0.591 1.00 0.00 ATOM 237 CG LYS 32 7.596 0.011 0.821 1.00 0.00 ATOM 238 CD LYS 32 8.393 -0.655 1.946 1.00 0.00 ATOM 239 CE LYS 32 7.901 -2.093 2.140 1.00 0.00 ATOM 240 NZ LYS 32 6.752 -2.104 3.089 1.00 0.00 ATOM 241 O LYS 32 7.192 1.163 -2.558 1.00 0.00 ATOM 242 C LYS 32 6.661 1.235 -1.451 1.00 0.00 ATOM 243 N LEU 33 5.603 0.506 -1.105 1.00 0.00 ATOM 244 CA LEU 33 4.999 -0.442 -2.036 1.00 0.00 ATOM 245 CB LEU 33 3.789 -1.121 -1.384 1.00 0.00 ATOM 246 CG LEU 33 4.267 -2.158 -0.361 1.00 0.00 ATOM 247 CD1 LEU 33 3.074 -2.651 0.461 1.00 0.00 ATOM 248 CD2 LEU 33 4.908 -3.345 -1.089 1.00 0.00 ATOM 249 O LEU 33 5.005 -0.097 -4.414 1.00 0.00 ATOM 250 C LEU 33 4.563 0.260 -3.321 1.00 0.00 ATOM 251 N ARG 34 3.690 1.256 -3.180 1.00 0.00 ATOM 252 CA ARG 34 3.192 2.001 -4.335 1.00 0.00 ATOM 253 CB ARG 34 2.066 2.946 -3.902 1.00 0.00 ATOM 254 CG ARG 34 0.768 2.151 -3.724 1.00 0.00 ATOM 255 CD ARG 34 0.222 1.735 -5.094 1.00 0.00 ATOM 256 NE ARG 34 -1.223 1.531 -5.024 1.00 0.00 ATOM 257 CZ ARG 34 -2.072 2.556 -5.044 1.00 0.00 ATOM 258 NH1 ARG 34 -1.624 3.780 -5.121 1.00 0.00 ATOM 259 NH2 ARG 34 -3.358 2.338 -4.987 1.00 0.00 ATOM 260 O ARG 34 4.407 2.856 -6.218 1.00 0.00 ATOM 261 C ARG 34 4.311 2.803 -4.992 1.00 0.00 ATOM 262 N GLN 35 5.154 3.424 -4.172 1.00 0.00 ATOM 263 CA GLN 35 6.263 4.220 -4.689 1.00 0.00 ATOM 264 CB GLN 35 7.031 4.858 -3.526 1.00 0.00 ATOM 265 CG GLN 35 8.288 5.566 -4.049 1.00 0.00 ATOM 266 CD GLN 35 7.915 6.612 -5.097 1.00 0.00 ATOM 267 OE1 GLN 35 6.932 7.338 -4.933 1.00 0.00 ATOM 268 NE2 GLN 35 8.647 6.736 -6.171 1.00 0.00 ATOM 269 O GLN 35 7.708 3.782 -6.556 1.00 0.00 ATOM 270 C GLN 35 7.205 3.351 -5.517 1.00 0.00 ATOM 271 N GLU 36 7.433 2.125 -5.053 1.00 0.00 ATOM 272 CA GLU 36 8.312 1.201 -5.761 1.00 0.00 ATOM 273 CB GLU 36 8.508 -0.072 -4.933 1.00 0.00 ATOM 274 CG GLU 36 9.324 -1.094 -5.735 1.00 0.00 ATOM 275 CD GLU 36 9.692 -2.286 -4.853 1.00 0.00 ATOM 276 OE1 GLU 36 10.800 -2.778 -4.989 1.00 0.00 ATOM 277 OE2 GLU 36 8.859 -2.693 -4.058 1.00 0.00 ATOM 278 O GLU 36 8.377 1.001 -8.151 1.00 0.00 ATOM 279 C GLU 36 7.720 0.847 -7.121 1.00 0.00 ATOM 280 N TYR 37 6.475 0.372 -7.116 1.00 0.00 ATOM 281 CA TYR 37 5.803 -0.000 -8.357 1.00 0.00 ATOM 282 CB TYR 37 4.350 -0.396 -8.078 1.00 0.00 ATOM 283 CG TYR 37 3.621 -0.591 -9.390 1.00 0.00 ATOM 284 CD1 TYR 37 2.604 0.296 -9.766 1.00 0.00 ATOM 285 CD2 TYR 37 3.971 -1.652 -10.236 1.00 0.00 ATOM 286 CE1 TYR 37 1.937 0.122 -10.985 1.00 0.00 ATOM 287 CE2 TYR 37 3.303 -1.826 -11.454 1.00 0.00 ATOM 288 CZ TYR 37 2.287 -0.939 -11.829 1.00 0.00 ATOM 289 OH TYR 37 1.632 -1.109 -13.031 1.00 0.00 ATOM 290 O TYR 37 6.140 0.964 -10.524 1.00 0.00 ATOM 291 C TYR 37 5.836 1.157 -9.351 1.00 0.00 ATOM 292 N LEU 38 5.520 2.356 -8.869 1.00 0.00 ATOM 293 CA LEU 38 5.517 3.541 -9.723 1.00 0.00 ATOM 294 CB LEU 38 5.118 4.775 -8.900 1.00 0.00 ATOM 295 CG LEU 38 3.657 5.154 -9.177 1.00 0.00 ATOM 296 CD1 LEU 38 3.506 5.618 -10.630 1.00 0.00 ATOM 297 CD2 LEU 38 2.751 3.942 -8.928 1.00 0.00 ATOM 298 O LEU 38 7.013 4.180 -11.492 1.00 0.00 ATOM 299 C LEU 38 6.897 3.766 -10.339 1.00 0.00 ATOM 300 N LYS 39 7.938 3.497 -9.554 1.00 0.00 ATOM 301 CA LYS 39 9.312 3.681 -10.015 1.00 0.00 ATOM 302 CB LYS 39 10.279 3.464 -8.847 1.00 0.00 ATOM 303 CG LYS 39 11.611 4.161 -9.141 1.00 0.00 ATOM 304 CD LYS 39 12.568 3.958 -7.961 1.00 0.00 ATOM 305 CE LYS 39 13.296 2.619 -8.111 1.00 0.00 ATOM 306 NZ LYS 39 13.805 2.177 -6.782 1.00 0.00 ATOM 307 O LYS 39 10.470 3.038 -12.018 1.00 0.00 ATOM 308 C LYS 39 9.657 2.716 -11.151 1.00 0.00 ATOM 309 N GLY 40 9.046 1.533 -11.137 1.00 0.00 ATOM 310 CA GLY 40 9.314 0.534 -12.171 1.00 0.00 ATOM 311 O GLY 40 8.475 0.186 -14.389 1.00 0.00 ATOM 312 C GLY 40 8.216 0.518 -13.232 1.00 0.00 ATOM 313 N PHE 41 6.999 0.880 -12.819 1.00 0.00 ATOM 314 CA PHE 41 5.834 0.915 -13.712 1.00 0.00 ATOM 315 CB PHE 41 5.527 2.370 -14.096 1.00 0.00 ATOM 316 CG PHE 41 4.206 2.440 -14.829 1.00 0.00 ATOM 317 CD1 PHE 41 4.160 2.899 -16.152 1.00 0.00 ATOM 318 CD2 PHE 41 3.025 2.051 -14.182 1.00 0.00 ATOM 319 CE1 PHE 41 2.936 2.967 -16.827 1.00 0.00 ATOM 320 CE2 PHE 41 1.802 2.119 -14.859 1.00 0.00 ATOM 321 CZ PHE 41 1.757 2.577 -16.181 1.00 0.00 ATOM 322 O PHE 41 6.029 -1.174 -14.887 1.00 0.00 ATOM 323 C PHE 41 6.051 0.055 -14.966 1.00 0.00 ATOM 324 N ARG 42 6.264 0.701 -16.115 1.00 0.00 ATOM 325 CA ARG 42 6.486 -0.024 -17.365 1.00 0.00 ATOM 326 CB ARG 42 5.980 0.807 -18.552 1.00 0.00 ATOM 327 CG ARG 42 6.867 2.043 -18.745 1.00 0.00 ATOM 328 CD ARG 42 6.177 3.028 -19.691 1.00 0.00 ATOM 329 NE ARG 42 7.053 4.162 -19.962 1.00 0.00 ATOM 330 CZ ARG 42 6.659 5.174 -20.730 1.00 0.00 ATOM 331 NH1 ARG 42 5.464 5.174 -21.257 1.00 0.00 ATOM 332 NH2 ARG 42 7.469 6.171 -20.955 1.00 0.00 ATOM 333 O ARG 42 8.338 -1.400 -18.038 1.00 0.00 ATOM 334 C ARG 42 7.971 -0.331 -17.548 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 T0335.undertaker-align.pdb looking for model 1 # WARNING: incomplete conformation T0335 can't currently be optimized by undertaker # command:# naming current conformation align1 # command:Warning: Couldn't open file decoys/align1.gdt for output # fraction of real conformation used = 0.810 # GDT_score = -66.071 # GDT_score(maxd=8.000,maxw=2.900)= -70.630 # GDT_score(maxd=8.000,maxw=3.200)= -67.588 # GDT_score(maxd=8.000,maxw=3.500)= -64.574 # GDT_score(maxd=10.000,maxw=3.800)= -66.157 # GDT_score(maxd=10.000,maxw=4.000)= -64.275 # GDT_score(maxd=10.000,maxw=4.200)= -62.461 # GDT_score(maxd=12.000,maxw=4.300)= -64.967 # GDT_score(maxd=12.000,maxw=4.500)= -63.230 # GDT_score(maxd=12.000,maxw=4.700)= -61.512 # GDT_score(maxd=14.000,maxw=5.200)= -60.142 # GDT_score(maxd=14.000,maxw=5.500)= -57.770 # command:# ReadConformPDB reading from PDB file T0335.undertaker-align.pdb looking for model 2 # WARNING: incomplete conformation T0335 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 = 0.548 # GDT_score = -46.429 # GDT_score(maxd=8.000,maxw=2.900)= -47.001 # GDT_score(maxd=8.000,maxw=3.200)= -46.152 # GDT_score(maxd=8.000,maxw=3.500)= -44.987 # GDT_score(maxd=10.000,maxw=3.800)= -45.903 # GDT_score(maxd=10.000,maxw=4.000)= -45.043 # GDT_score(maxd=10.000,maxw=4.200)= -44.259 # GDT_score(maxd=12.000,maxw=4.300)= -45.496 # GDT_score(maxd=12.000,maxw=4.500)= -44.744 # GDT_score(maxd=12.000,maxw=4.700)= -44.017 # GDT_score(maxd=14.000,maxw=5.200)= -43.525 # GDT_score(maxd=14.000,maxw=5.500)= -42.473 # command:# ReadConformPDB reading from PDB file T0335.undertaker-align.pdb looking for model 3 # WARNING: incomplete conformation T0335 can't currently be optimized by undertaker # command:# naming current conformation align3 # command:# ReadConformPDB reading from PDB file T0335.undertaker-align.pdb looking for model 4 # WARNING: incomplete conformation T0335 can't currently be optimized by undertaker # command:# naming current conformation align4 # command:# ReadConformPDB reading from PDB file T0335.undertaker-align.pdb looking for model 5 WARNING: atoms too close: (T0335)F41.C and (T0335)R42.C only 0 apart, marking (T0335)R42.C as missing WARNING: atoms too close: (T0335)R42.N and (T0335)S43.N only 0 apart, marking (T0335)R42.N as missing WARNING: atoms too close: (T0335)R42.CA and (T0335)S43.CA only 0 apart, marking (T0335)R42.CA as missing WARNING: atoms too close: (T0335)L49.C and (T0335)K50.C only 0 apart, marking (T0335)K50.C as missing WARNING: atoms too close: (T0335)K50.N and (T0335)S51.N only 0 apart, marking (T0335)K50.N as missing WARNING: atoms too close: (T0335)K50.CA and (T0335)S51.CA only 0 apart, marking (T0335)K50.CA as missing # WARNING: incomplete conformation T0335 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 77 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file ../model2.ts-submitted looking for model 1 # Found a chain break before 81 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file ../model3.ts-submitted looking for model 1 # Found a chain break before 81 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file ../model4.ts-submitted looking for model 1 # Found a chain break before 68 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file ../model5.ts-submitted looking for model 1 # ReadConformPDB reading from PDB file T0335.try1-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 58 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0335.try1-opt1.pdb.gz looking for model 1 # Found a chain break before 58 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0335.try1-opt2.gromacs0.pdb.gz looking for model 1 # ReadConformPDB reading from PDB file T0335.try1-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # ReadConformPDB reading from PDB file T0335.try1-opt2.pdb.gz looking for model 1 # Found a chain break before 58 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0335.try1-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 58 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0335.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 T0335.try10-opt1.pdb.gz looking for model 1 # Found a chain break before 80 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0335.try10-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 49 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0335.try10-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 49 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0335.try10-opt2.pdb.gz looking for model 1 # Found a chain break before 82 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0335.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 T0335.try11-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 61 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0335.try11-opt1.pdb.gz looking for model 1 # Found a chain break before 61 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0335.try11-opt2.gromacs0.pdb.gz looking for model 1 # ReadConformPDB reading from PDB file T0335.try11-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # ReadConformPDB reading from PDB file T0335.try11-opt2.pdb.gz looking for model 1 # Found a chain break before 61 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0335.try11-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 61 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0335.try12-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 60 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0335.try12-opt1.pdb.gz looking for model 1 # Found a chain break before 60 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0335.try12-opt2.gromacs0.pdb.gz looking for model 1 # ReadConformPDB reading from PDB file T0335.try12-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # ReadConformPDB reading from PDB file T0335.try12-opt2.pdb.gz looking for model 1 # Found a chain break before 60 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0335.try12-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 T0335.try13-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 52 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0335.try13-opt1.pdb.gz looking for model 1 # Found a chain break before 52 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0335.try13-opt2.gromacs0.pdb.gz looking for model 1 # ReadConformPDB reading from PDB file T0335.try13-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # ReadConformPDB reading from PDB file T0335.try13-opt2.pdb.gz looking for model 1 # Found a chain break before 79 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0335.try13-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 T0335.try14-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 61 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0335.try14-opt1.pdb.gz looking for model 1 # Found a chain break before 61 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0335.try14-opt2.gromacs0.pdb.gz looking for model 1 # ReadConformPDB reading from PDB file T0335.try14-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # ReadConformPDB reading from PDB file T0335.try14-opt2.pdb.gz looking for model 1 # Found a chain break before 80 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0335.try14-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 80 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0335.try15-opt2.gromacs0.pdb.gz looking for model 1 Error: Reading chain from PDB file T0335.try15-opt2.gromacs0.pdb.gz failed. # ReadConformPDB reading from PDB file T0335.try16-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 51 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0335.try16-opt1.pdb.gz looking for model 1 # Found a chain break before 51 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0335.try16-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 51 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0335.try16-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 T0335.try16-opt2.pdb.gz looking for model 1 # Found a chain break before 81 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0335.try16-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 T0335.try17-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 84 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0335.try17-opt1.pdb.gz looking for model 1 # Found a chain break before 84 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0335.try17-opt2.gromacs0.pdb.gz looking for model 1 # ReadConformPDB reading from PDB file T0335.try17-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # ReadConformPDB reading from PDB file T0335.try17-opt2.pdb.gz looking for model 1 # Found a chain break before 84 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0335.try17-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 T0335.try18-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 82 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0335.try18-opt1.pdb.gz looking for model 1 # Found a chain break before 82 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0335.try18-opt2.gromacs0.pdb.gz looking for model 1 # ReadConformPDB reading from PDB file T0335.try18-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # ReadConformPDB reading from PDB file T0335.try18-opt2.pdb.gz looking for model 1 # Found a chain break before 82 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0335.try18-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 T0335.try19-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 77 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0335.try19-opt1.pdb.gz looking for model 1 # Found a chain break before 77 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0335.try19-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 77 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0335.try19-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 T0335.try19-opt2.pdb.gz looking for model 1 # Found a chain break before 82 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0335.try19-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 T0335.try2-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 58 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0335.try2-opt1.pdb.gz looking for model 1 # Found a chain break before 58 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0335.try2-opt2.gromacs0.pdb.gz looking for model 1 # ReadConformPDB reading from PDB file T0335.try2-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # ReadConformPDB reading from PDB file T0335.try2-opt2.pdb.gz looking for model 1 # Found a chain break before 82 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0335.try2-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 T0335.try20-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 77 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0335.try20-opt1.pdb.gz looking for model 1 # Found a chain break before 77 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0335.try20-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 77 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0335.try20-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 T0335.try20-opt2.pdb.gz looking for model 1 # Found a chain break before 77 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0335.try20-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 77 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0335.try21-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 77 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0335.try21-opt1.pdb.gz looking for model 1 # Found a chain break before 77 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0335.try21-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 77 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0335.try21-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 T0335.try21-opt2.pdb.gz looking for model 1 # Found a chain break before 77 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0335.try21-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 77 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0335.try22-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 77 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0335.try22-opt1.pdb.gz looking for model 1 # Found a chain break before 77 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0335.try22-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 77 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0335.try22-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 T0335.try22-opt2.pdb.gz looking for model 1 # Found a chain break before 77 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0335.try22-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 77 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0335.try23-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 84 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0335.try23-opt1.pdb.gz looking for model 1 # Found a chain break before 84 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0335.try23-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 77 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0335.try23-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 T0335.try23-opt2.pdb.gz looking for model 1 # Found a chain break before 84 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0335.try23-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 T0335.try24-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 60 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0335.try24-opt1.pdb.gz looking for model 1 # Found a chain break before 60 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0335.try24-opt2-rotated-helix.pdb.gz looking for model 1 # Found a chain break before 81 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0335.try24-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 41 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0335.try24-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 41 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0335.try24-opt2.pdb.gz looking for model 1 # Found a chain break before 81 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0335.try24-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 T0335.try25-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 81 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0335.try25-opt1.pdb.gz looking for model 1 # Found a chain break before 81 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0335.try25-opt2.gromacs0.pdb.gz looking for model 1 # ReadConformPDB reading from PDB file T0335.try25-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # ReadConformPDB reading from PDB file T0335.try25-opt2.pdb.gz looking for model 1 # Found a chain break before 81 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0335.try25-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 T0335.try26-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 58 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0335.try26-opt1.pdb.gz looking for model 1 # Found a chain break before 58 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0335.try26-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 42 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0335.try26-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 42 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0335.try26-opt2.pdb.gz looking for model 1 # Found a chain break before 58 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0335.try26-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 58 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0335.try27-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 81 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0335.try27-opt1.pdb.gz looking for model 1 # Found a chain break before 81 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0335.try27-opt2.gromacs0.pdb.gz looking for model 1 # ReadConformPDB reading from PDB file T0335.try27-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # ReadConformPDB reading from PDB file T0335.try27-opt2.pdb.gz looking for model 1 # Found a chain break before 81 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0335.try27-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 T0335.try28-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 76 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0335.try28-opt1.pdb.gz looking for model 1 # Found a chain break before 76 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0335.try28-opt2.gromacs0.pdb.gz looking for model 1 # ReadConformPDB reading from PDB file T0335.try28-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # ReadConformPDB reading from PDB file T0335.try28-opt2.pdb.gz looking for model 1 # Found a chain break before 62 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0335.try28-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 62 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0335.try29-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 58 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0335.try29-opt1.pdb.gz looking for model 1 # Found a chain break before 58 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0335.try29-opt2.gromacs0.pdb.gz looking for model 1 # ReadConformPDB reading from PDB file T0335.try29-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # ReadConformPDB reading from PDB file T0335.try29-opt2.pdb.gz looking for model 1 # Found a chain break before 58 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0335.try29-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 58 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0335.try3-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 80 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0335.try3-opt1.pdb.gz looking for model 1 # Found a chain break before 80 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0335.try3-opt2.gromacs0.pdb.gz looking for model 1 # ReadConformPDB reading from PDB file T0335.try3-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # ReadConformPDB reading from PDB file T0335.try3-opt2.pdb.gz looking for model 1 # Found a chain break before 80 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0335.try3-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 80 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0335.try30-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 68 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0335.try30-opt1.pdb.gz looking for model 1 # Found a chain break before 68 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0335.try30-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 38 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0335.try30-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 38 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0335.try30-opt2.pdb.gz looking for model 1 # Found a chain break before 68 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0335.try30-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 68 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0335.try31-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 62 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0335.try31-opt1.pdb.gz looking for model 1 # Found a chain break before 62 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0335.try31-opt2.gromacs0.pdb.gz looking for model 1 # ReadConformPDB reading from PDB file T0335.try31-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # ReadConformPDB reading from PDB file T0335.try31-opt2.pdb.gz looking for model 1 # Found a chain break before 62 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0335.try31-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 62 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0335.try32-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 57 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0335.try32-opt1.pdb.gz looking for model 1 # Found a chain break before 57 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0335.try32-opt2.gromacs0.pdb.gz looking for model 1 # ReadConformPDB reading from PDB file T0335.try32-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # ReadConformPDB reading from PDB file T0335.try32-opt2.pdb.gz looking for model 1 # Found a chain break before 57 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0335.try32-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 T0335.try33-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 68 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0335.try33-opt1.pdb.gz looking for model 1 # Found a chain break before 68 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0335.try33-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 38 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0335.try33-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 38 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0335.try33-opt2.pdb.gz looking for model 1 # Found a chain break before 62 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0335.try33-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 62 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0335.try4-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 71 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0335.try4-opt1.pdb.gz looking for model 1 # Found a chain break before 71 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0335.try4-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 40 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0335.try4-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 40 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0335.try4-opt2.pdb.gz looking for model 1 # Found a chain break before 82 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0335.try4-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 T0335.try5-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 82 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0335.try5-opt1.pdb.gz looking for model 1 # Found a chain break before 82 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0335.try5-opt2.gromacs0.pdb.gz looking for model 1 # ReadConformPDB reading from PDB file T0335.try5-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # ReadConformPDB reading from PDB file T0335.try5-opt2.pdb.gz looking for model 1 # Found a chain break before 62 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0335.try5-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 40 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0335.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 T0335.try6-opt1.pdb.gz looking for model 1 # Found a chain break before 81 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0335.try6-opt2.gromacs0.pdb.gz looking for model 1 # ReadConformPDB reading from PDB file T0335.try6-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # ReadConformPDB reading from PDB file T0335.try6-opt2.pdb.gz looking for model 1 # Found a chain break before 81 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0335.try7-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 82 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0335.try7-opt1.pdb.gz looking for model 1 # Found a chain break before 82 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0335.try7-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 40 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0335.try7-opt2.pdb.gz looking for model 1 # Found a chain break before 82 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0335.try8-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 58 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0335.try8-opt1.pdb.gz looking for model 1 # Found a chain break before 58 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0335.try8-opt2-four-helix-bundle.pdb.gz looking for model 1 # Found a chain break before 58 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0335.try8-opt2.gromacs0.pdb.gz looking for model 1 # ReadConformPDB reading from PDB file T0335.try8-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # ReadConformPDB reading from PDB file T0335.try8-opt2.pdb.gz looking for model 1 # Found a chain break before 58 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0335.try8-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 58 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0335.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 T0335.try9-opt1.pdb.gz looking for model 1 # Found a chain break before 81 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0335.try9-opt2.gromacs0.pdb.gz looking for model 1 # ReadConformPDB reading from PDB file T0335.try9-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # ReadConformPDB reading from PDB file T0335.try9-opt2.pdb.gz looking for model 1 # Found a chain break before 81 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0335.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 chimera-try8-opt2.pdb.gz looking for model 1 # Found a chain break before 81 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file extended-M1-H77-try2.pdb.gz looking for model 1 # Found a chain break before 82 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file extended-M1-H77-try6.pdb.gz looking for model 1 # Found a chain break before 82 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file extended-M1-H77-try7.pdb.gz looking for model 1 # Found a chain break before 82 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file servers/3D-JIGSAW_POPULUS_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0335 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_POPULUS_TS1 # request to SCWRL produces command: ulimit -t 77 ; scwrl3 -i /var/tmp/to_scwrl_2031892559.pdb -s /var/tmp/to_scwrl_2031892559.seq -o /var/tmp/from_scwrl_2031892559.pdb > /var/tmp/scwrl_2031892559.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2031892559.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 # WARNING: incomplete conformation T0335 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_POPULUS_TS2 # request to SCWRL produces command: ulimit -t 77 ; scwrl3 -i /var/tmp/to_scwrl_473461018.pdb -s /var/tmp/to_scwrl_473461018.seq -o /var/tmp/from_scwrl_473461018.pdb > /var/tmp/scwrl_473461018.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_473461018.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 # WARNING: incomplete conformation T0335 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_POPULUS_TS3 # request to SCWRL produces command: ulimit -t 77 ; scwrl3 -i /var/tmp/to_scwrl_1885690348.pdb -s /var/tmp/to_scwrl_1885690348.seq -o /var/tmp/from_scwrl_1885690348.pdb > /var/tmp/scwrl_1885690348.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1885690348.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 # WARNING: incomplete conformation T0335 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_POPULUS_TS4 # request to SCWRL produces command: ulimit -t 77 ; scwrl3 -i /var/tmp/to_scwrl_1393459211.pdb -s /var/tmp/to_scwrl_1393459211.seq -o /var/tmp/from_scwrl_1393459211.pdb > /var/tmp/scwrl_1393459211.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1393459211.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 # WARNING: incomplete conformation T0335 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_POPULUS_TS5 # request to SCWRL produces command: ulimit -t 77 ; scwrl3 -i /var/tmp/to_scwrl_2046082850.pdb -s /var/tmp/to_scwrl_2046082850.seq -o /var/tmp/from_scwrl_2046082850.pdb > /var/tmp/scwrl_2046082850.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2046082850.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 # WARNING: incomplete conformation T0335 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS1 # request to SCWRL produces command: ulimit -t 77 ; scwrl3 -i /var/tmp/to_scwrl_101107821.pdb -s /var/tmp/to_scwrl_101107821.seq -o /var/tmp/from_scwrl_101107821.pdb > /var/tmp/scwrl_101107821.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_101107821.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 T0335 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS2 # request to SCWRL produces command: ulimit -t 77 ; scwrl3 -i /var/tmp/to_scwrl_886865349.pdb -s /var/tmp/to_scwrl_886865349.seq -o /var/tmp/from_scwrl_886865349.pdb > /var/tmp/scwrl_886865349.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_886865349.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 # WARNING: incomplete conformation T0335 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS3 # request to SCWRL produces command: ulimit -t 77 ; scwrl3 -i /var/tmp/to_scwrl_479391851.pdb -s /var/tmp/to_scwrl_479391851.seq -o /var/tmp/from_scwrl_479391851.pdb > /var/tmp/scwrl_479391851.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_479391851.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 T0335 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS4 # request to SCWRL produces command: ulimit -t 77 ; scwrl3 -i /var/tmp/to_scwrl_82301183.pdb -s /var/tmp/to_scwrl_82301183.seq -o /var/tmp/from_scwrl_82301183.pdb > /var/tmp/scwrl_82301183.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_82301183.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 # WARNING: incomplete conformation T0335 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS5 # request to SCWRL produces command: ulimit -t 77 ; scwrl3 -i /var/tmp/to_scwrl_310463494.pdb -s /var/tmp/to_scwrl_310463494.seq -o /var/tmp/from_scwrl_310463494.pdb > /var/tmp/scwrl_310463494.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_310463494.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 T0335 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_TS1 # request to SCWRL produces command: ulimit -t 77 ; scwrl3 -i /var/tmp/to_scwrl_1303511568.pdb -s /var/tmp/to_scwrl_1303511568.seq -o /var/tmp/from_scwrl_1303511568.pdb > /var/tmp/scwrl_1303511568.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1303511568.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 T0335 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_TS2 # request to SCWRL produces command: ulimit -t 77 ; scwrl3 -i /var/tmp/to_scwrl_739002578.pdb -s /var/tmp/to_scwrl_739002578.seq -o /var/tmp/from_scwrl_739002578.pdb > /var/tmp/scwrl_739002578.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_739002578.pdb # conformation set from SCWRL output # naming current conformation 3D-JIGSAW_TS2-scwrl # ReadConformPDB reading from PDB file servers/3Dpro_TS1.pdb.gz looking for model 1 # Found a chain break before 68 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS1 # request to SCWRL produces command: ulimit -t 77 ; scwrl3 -i /var/tmp/to_scwrl_385065305.pdb -s /var/tmp/to_scwrl_385065305.seq -o /var/tmp/from_scwrl_385065305.pdb > /var/tmp/scwrl_385065305.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_385065305.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 50 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS2 # request to SCWRL produces command: ulimit -t 77 ; scwrl3 -i /var/tmp/to_scwrl_2046041420.pdb -s /var/tmp/to_scwrl_2046041420.seq -o /var/tmp/from_scwrl_2046041420.pdb > /var/tmp/scwrl_2046041420.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2046041420.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 61 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS3 # request to SCWRL produces command: ulimit -t 77 ; scwrl3 -i /var/tmp/to_scwrl_1410703661.pdb -s /var/tmp/to_scwrl_1410703661.seq -o /var/tmp/from_scwrl_1410703661.pdb > /var/tmp/scwrl_1410703661.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1410703661.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 # naming current conformation 3Dpro_TS4 # request to SCWRL produces command: ulimit -t 77 ; scwrl3 -i /var/tmp/to_scwrl_284629373.pdb -s /var/tmp/to_scwrl_284629373.seq -o /var/tmp/from_scwrl_284629373.pdb > /var/tmp/scwrl_284629373.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_284629373.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 # naming current conformation 3Dpro_TS5 # request to SCWRL produces command: ulimit -t 77 ; scwrl3 -i /var/tmp/to_scwrl_331245649.pdb -s /var/tmp/to_scwrl_331245649.seq -o /var/tmp/from_scwrl_331245649.pdb > /var/tmp/scwrl_331245649.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_331245649.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 68 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS1 # request to SCWRL produces command: ulimit -t 77 ; scwrl3 -i /var/tmp/to_scwrl_1338492040.pdb -s /var/tmp/to_scwrl_1338492040.seq -o /var/tmp/from_scwrl_1338492040.pdb > /var/tmp/scwrl_1338492040.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1338492040.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 61 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS2 # request to SCWRL produces command: ulimit -t 77 ; scwrl3 -i /var/tmp/to_scwrl_848898243.pdb -s /var/tmp/to_scwrl_848898243.seq -o /var/tmp/from_scwrl_848898243.pdb > /var/tmp/scwrl_848898243.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_848898243.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 80 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS3 # request to SCWRL produces command: ulimit -t 77 ; scwrl3 -i /var/tmp/to_scwrl_7743015.pdb -s /var/tmp/to_scwrl_7743015.seq -o /var/tmp/from_scwrl_7743015.pdb > /var/tmp/scwrl_7743015.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_7743015.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 82 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS4 # request to SCWRL produces command: ulimit -t 77 ; scwrl3 -i /var/tmp/to_scwrl_1323029370.pdb -s /var/tmp/to_scwrl_1323029370.seq -o /var/tmp/from_scwrl_1323029370.pdb > /var/tmp/scwrl_1323029370.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1323029370.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 63 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS5 # request to SCWRL produces command: ulimit -t 77 ; scwrl3 -i /var/tmp/to_scwrl_1670904746.pdb -s /var/tmp/to_scwrl_1670904746.seq -o /var/tmp/from_scwrl_1670904746.pdb > /var/tmp/scwrl_1670904746.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1670904746.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 # naming current conformation BayesHH_TS1 # request to SCWRL produces command: ulimit -t 77 ; scwrl3 -i /var/tmp/to_scwrl_1454624749.pdb -s /var/tmp/to_scwrl_1454624749.seq -o /var/tmp/from_scwrl_1454624749.pdb > /var/tmp/scwrl_1454624749.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1454624749.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 48 # copying to AlignedFragments data structure # naming current conformation Bilab-ENABLE_TS1 # request to SCWRL produces command: ulimit -t 77 ; scwrl3 -i /var/tmp/to_scwrl_1339685156.pdb -s /var/tmp/to_scwrl_1339685156.seq -o /var/tmp/from_scwrl_1339685156.pdb > /var/tmp/scwrl_1339685156.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1339685156.pdb # conformation set from SCWRL output # naming current conformation Bilab-ENABLE_TS1-scwrl # ReadConformPDB reading from PDB file servers/CIRCLE_TS1.pdb.gz looking for model 1 # Found a chain break before 80 # copying to AlignedFragments data structure # naming current conformation CIRCLE_TS1 # request to SCWRL produces command: ulimit -t 77 ; scwrl3 -i /var/tmp/to_scwrl_548908504.pdb -s /var/tmp/to_scwrl_548908504.seq -o /var/tmp/from_scwrl_548908504.pdb > /var/tmp/scwrl_548908504.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_548908504.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 # Found a chain break before 63 # copying to AlignedFragments data structure # naming current conformation CIRCLE_TS2 # request to SCWRL produces command: ulimit -t 77 ; scwrl3 -i /var/tmp/to_scwrl_1219566032.pdb -s /var/tmp/to_scwrl_1219566032.seq -o /var/tmp/from_scwrl_1219566032.pdb > /var/tmp/scwrl_1219566032.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1219566032.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 65 # copying to AlignedFragments data structure # naming current conformation CIRCLE_TS3 # request to SCWRL produces command: ulimit -t 77 ; scwrl3 -i /var/tmp/to_scwrl_1853370969.pdb -s /var/tmp/to_scwrl_1853370969.seq -o /var/tmp/from_scwrl_1853370969.pdb > /var/tmp/scwrl_1853370969.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1853370969.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 # Found a chain break before 68 # copying to AlignedFragments data structure # naming current conformation CIRCLE_TS4 # request to SCWRL produces command: ulimit -t 77 ; scwrl3 -i /var/tmp/to_scwrl_126842474.pdb -s /var/tmp/to_scwrl_126842474.seq -o /var/tmp/from_scwrl_126842474.pdb > /var/tmp/scwrl_126842474.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_126842474.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 T0335 can't currently be optimized by undertaker # naming current conformation CIRCLE_TS5 # request to SCWRL produces command: ulimit -t 77 ; scwrl3 -i /var/tmp/to_scwrl_1944903550.pdb -s /var/tmp/to_scwrl_1944903550.seq -o /var/tmp/from_scwrl_1944903550.pdb > /var/tmp/scwrl_1944903550.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1944903550.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 # Found a chain break before 41 # copying to AlignedFragments data structure # naming current conformation CaspIta-FOX_TS1 # request to SCWRL produces command: ulimit -t 77 ; scwrl3 -i /var/tmp/to_scwrl_169916393.pdb -s /var/tmp/to_scwrl_169916393.seq -o /var/tmp/from_scwrl_169916393.pdb > /var/tmp/scwrl_169916393.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_169916393.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 T0335 can't currently be optimized by undertaker # naming current conformation CaspIta-FOX_TS2 # request to SCWRL produces command: ulimit -t 77 ; scwrl3 -i /var/tmp/to_scwrl_396035283.pdb -s /var/tmp/to_scwrl_396035283.seq -o /var/tmp/from_scwrl_396035283.pdb > /var/tmp/scwrl_396035283.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_396035283.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 78 # copying to AlignedFragments data structure # naming current conformation CaspIta-FOX_TS3 # request to SCWRL produces command: ulimit -t 77 ; scwrl3 -i /var/tmp/to_scwrl_1829312462.pdb -s /var/tmp/to_scwrl_1829312462.seq -o /var/tmp/from_scwrl_1829312462.pdb > /var/tmp/scwrl_1829312462.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1829312462.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 T0335 can't currently be optimized by undertaker # naming current conformation CaspIta-FOX_TS4 # request to SCWRL produces command: ulimit -t 77 ; scwrl3 -i /var/tmp/to_scwrl_643377411.pdb -s /var/tmp/to_scwrl_643377411.seq -o /var/tmp/from_scwrl_643377411.pdb > /var/tmp/scwrl_643377411.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_643377411.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 # Found a chain break before 77 # copying to AlignedFragments data structure # naming current conformation CaspIta-FOX_TS5 # request to SCWRL produces command: ulimit -t 77 ; scwrl3 -i /var/tmp/to_scwrl_134241984.pdb -s /var/tmp/to_scwrl_134241984.seq -o /var/tmp/from_scwrl_134241984.pdb > /var/tmp/scwrl_134241984.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_134241984.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 T0335 can't currently be optimized by undertaker # naming current conformation Distill_TS1 # request to SCWRL produces command: ulimit -t 77 ; scwrl3 -i /var/tmp/to_scwrl_1075288026.pdb -s /var/tmp/to_scwrl_1075288026.seq -o /var/tmp/from_scwrl_1075288026.pdb > /var/tmp/scwrl_1075288026.log Error: Couldn't open file /var/tmp/from_scwrl_1075288026.pdb or /var/tmp/from_scwrl_1075288026.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1075288026_b.pdb or decoys//var/tmp/from_scwrl_1075288026_b.pdb.gz for input Trying /var/tmp/from_scwrl_1075288026_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1075288026_b.pdb or /var/tmp/from_scwrl_1075288026_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1075288026_a.pdb or decoys//var/tmp/from_scwrl_1075288026_a.pdb.gz for input Trying /var/tmp/from_scwrl_1075288026_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1075288026_a.pdb or /var/tmp/from_scwrl_1075288026_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1075288026.pdb or /var/tmp/from_scwrl_1075288026_b.pdb or /var/tmp/from_scwrl_1075288026_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 T0335 can't currently be optimized by undertaker # naming current conformation Distill_TS2 # request to SCWRL produces command: ulimit -t 77 ; scwrl3 -i /var/tmp/to_scwrl_541976615.pdb -s /var/tmp/to_scwrl_541976615.seq -o /var/tmp/from_scwrl_541976615.pdb > /var/tmp/scwrl_541976615.log Error: Couldn't open file /var/tmp/from_scwrl_541976615.pdb or /var/tmp/from_scwrl_541976615.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_541976615_b.pdb or decoys//var/tmp/from_scwrl_541976615_b.pdb.gz for input Trying /var/tmp/from_scwrl_541976615_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_541976615_b.pdb or /var/tmp/from_scwrl_541976615_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_541976615_a.pdb or decoys//var/tmp/from_scwrl_541976615_a.pdb.gz for input Trying /var/tmp/from_scwrl_541976615_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_541976615_a.pdb or /var/tmp/from_scwrl_541976615_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_541976615.pdb or /var/tmp/from_scwrl_541976615_b.pdb or /var/tmp/from_scwrl_541976615_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 T0335 can't currently be optimized by undertaker # naming current conformation Distill_TS3 # request to SCWRL produces command: ulimit -t 77 ; scwrl3 -i /var/tmp/to_scwrl_235349805.pdb -s /var/tmp/to_scwrl_235349805.seq -o /var/tmp/from_scwrl_235349805.pdb > /var/tmp/scwrl_235349805.log Error: Couldn't open file /var/tmp/from_scwrl_235349805.pdb or /var/tmp/from_scwrl_235349805.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_235349805_b.pdb or decoys//var/tmp/from_scwrl_235349805_b.pdb.gz for input Trying /var/tmp/from_scwrl_235349805_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_235349805_b.pdb or /var/tmp/from_scwrl_235349805_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_235349805_a.pdb or decoys//var/tmp/from_scwrl_235349805_a.pdb.gz for input Trying /var/tmp/from_scwrl_235349805_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_235349805_a.pdb or /var/tmp/from_scwrl_235349805_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_235349805.pdb or /var/tmp/from_scwrl_235349805_b.pdb or /var/tmp/from_scwrl_235349805_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 T0335 can't currently be optimized by undertaker # naming current conformation Distill_TS4 # request to SCWRL produces command: ulimit -t 77 ; scwrl3 -i /var/tmp/to_scwrl_1962153376.pdb -s /var/tmp/to_scwrl_1962153376.seq -o /var/tmp/from_scwrl_1962153376.pdb > /var/tmp/scwrl_1962153376.log Error: Couldn't open file /var/tmp/from_scwrl_1962153376.pdb or /var/tmp/from_scwrl_1962153376.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1962153376_b.pdb or decoys//var/tmp/from_scwrl_1962153376_b.pdb.gz for input Trying /var/tmp/from_scwrl_1962153376_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1962153376_b.pdb or /var/tmp/from_scwrl_1962153376_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1962153376_a.pdb or decoys//var/tmp/from_scwrl_1962153376_a.pdb.gz for input Trying /var/tmp/from_scwrl_1962153376_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1962153376_a.pdb or /var/tmp/from_scwrl_1962153376_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1962153376.pdb or /var/tmp/from_scwrl_1962153376_b.pdb or /var/tmp/from_scwrl_1962153376_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 T0335 can't currently be optimized by undertaker # naming current conformation Distill_TS5 # request to SCWRL produces command: ulimit -t 77 ; scwrl3 -i /var/tmp/to_scwrl_1021368466.pdb -s /var/tmp/to_scwrl_1021368466.seq -o /var/tmp/from_scwrl_1021368466.pdb > /var/tmp/scwrl_1021368466.log Error: Couldn't open file /var/tmp/from_scwrl_1021368466.pdb or /var/tmp/from_scwrl_1021368466.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1021368466_b.pdb or decoys//var/tmp/from_scwrl_1021368466_b.pdb.gz for input Trying /var/tmp/from_scwrl_1021368466_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1021368466_b.pdb or /var/tmp/from_scwrl_1021368466_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1021368466_a.pdb or decoys//var/tmp/from_scwrl_1021368466_a.pdb.gz for input Trying /var/tmp/from_scwrl_1021368466_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1021368466_a.pdb or /var/tmp/from_scwrl_1021368466_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1021368466.pdb or /var/tmp/from_scwrl_1021368466_b.pdb or /var/tmp/from_scwrl_1021368466_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 77 # copying to AlignedFragments data structure # naming current conformation FAMSD_TS1 # request to SCWRL produces command: ulimit -t 77 ; scwrl3 -i /var/tmp/to_scwrl_317650988.pdb -s /var/tmp/to_scwrl_317650988.seq -o /var/tmp/from_scwrl_317650988.pdb > /var/tmp/scwrl_317650988.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_317650988.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 T0335 can't currently be optimized by undertaker # naming current conformation FAMSD_TS2 # request to SCWRL produces command: ulimit -t 77 ; scwrl3 -i /var/tmp/to_scwrl_125133223.pdb -s /var/tmp/to_scwrl_125133223.seq -o /var/tmp/from_scwrl_125133223.pdb > /var/tmp/scwrl_125133223.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_125133223.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 # WARNING: incomplete conformation T0335 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FAMSD_TS3 # request to SCWRL produces command: ulimit -t 77 ; scwrl3 -i /var/tmp/to_scwrl_177396387.pdb -s /var/tmp/to_scwrl_177396387.seq -o /var/tmp/from_scwrl_177396387.pdb > /var/tmp/scwrl_177396387.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_177396387.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 79 # copying to AlignedFragments data structure # naming current conformation FAMSD_TS4 # request to SCWRL produces command: ulimit -t 77 ; scwrl3 -i /var/tmp/to_scwrl_1056653566.pdb -s /var/tmp/to_scwrl_1056653566.seq -o /var/tmp/from_scwrl_1056653566.pdb > /var/tmp/scwrl_1056653566.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1056653566.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 # WARNING: incomplete conformation T0335 can't currently be optimized by undertaker # naming current conformation FAMSD_TS5 # request to SCWRL produces command: ulimit -t 77 ; scwrl3 -i /var/tmp/to_scwrl_510198529.pdb -s /var/tmp/to_scwrl_510198529.seq -o /var/tmp/from_scwrl_510198529.pdb > /var/tmp/scwrl_510198529.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_510198529.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 82 # copying to AlignedFragments data structure # naming current conformation FAMS_TS1 # request to SCWRL produces command: ulimit -t 77 ; scwrl3 -i /var/tmp/to_scwrl_75954160.pdb -s /var/tmp/to_scwrl_75954160.seq -o /var/tmp/from_scwrl_75954160.pdb > /var/tmp/scwrl_75954160.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_75954160.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 # Found a chain break before 84 # copying to AlignedFragments data structure # naming current conformation FAMS_TS2 # request to SCWRL produces command: ulimit -t 77 ; scwrl3 -i /var/tmp/to_scwrl_319873580.pdb -s /var/tmp/to_scwrl_319873580.seq -o /var/tmp/from_scwrl_319873580.pdb > /var/tmp/scwrl_319873580.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_319873580.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 84 # copying to AlignedFragments data structure # naming current conformation FAMS_TS3 # request to SCWRL produces command: ulimit -t 77 ; scwrl3 -i /var/tmp/to_scwrl_794827902.pdb -s /var/tmp/to_scwrl_794827902.seq -o /var/tmp/from_scwrl_794827902.pdb > /var/tmp/scwrl_794827902.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_794827902.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 83 # copying to AlignedFragments data structure # naming current conformation FAMS_TS4 # request to SCWRL produces command: ulimit -t 77 ; scwrl3 -i /var/tmp/to_scwrl_407199809.pdb -s /var/tmp/to_scwrl_407199809.seq -o /var/tmp/from_scwrl_407199809.pdb > /var/tmp/scwrl_407199809.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_407199809.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 83 # copying to AlignedFragments data structure # naming current conformation FAMS_TS5 # request to SCWRL produces command: ulimit -t 77 ; scwrl3 -i /var/tmp/to_scwrl_1658365620.pdb -s /var/tmp/to_scwrl_1658365620.seq -o /var/tmp/from_scwrl_1658365620.pdb > /var/tmp/scwrl_1658365620.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1658365620.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 # naming current conformation FOLDpro_TS1 # request to SCWRL produces command: ulimit -t 77 ; scwrl3 -i /var/tmp/to_scwrl_1643726144.pdb -s /var/tmp/to_scwrl_1643726144.seq -o /var/tmp/from_scwrl_1643726144.pdb > /var/tmp/scwrl_1643726144.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1643726144.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 # Found a chain break before 39 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS2 # request to SCWRL produces command: ulimit -t 77 ; scwrl3 -i /var/tmp/to_scwrl_414942824.pdb -s /var/tmp/to_scwrl_414942824.seq -o /var/tmp/from_scwrl_414942824.pdb > /var/tmp/scwrl_414942824.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_414942824.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 # naming current conformation FOLDpro_TS3 # request to SCWRL produces command: ulimit -t 77 ; scwrl3 -i /var/tmp/to_scwrl_833911344.pdb -s /var/tmp/to_scwrl_833911344.seq -o /var/tmp/from_scwrl_833911344.pdb > /var/tmp/scwrl_833911344.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_833911344.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 # naming current conformation FOLDpro_TS4 # request to SCWRL produces command: ulimit -t 77 ; scwrl3 -i /var/tmp/to_scwrl_1167147243.pdb -s /var/tmp/to_scwrl_1167147243.seq -o /var/tmp/from_scwrl_1167147243.pdb > /var/tmp/scwrl_1167147243.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1167147243.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 # naming current conformation FOLDpro_TS5 # request to SCWRL produces command: ulimit -t 77 ; scwrl3 -i /var/tmp/to_scwrl_1869567573.pdb -s /var/tmp/to_scwrl_1869567573.seq -o /var/tmp/from_scwrl_1869567573.pdb > /var/tmp/scwrl_1869567573.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1869567573.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 T0335 can't currently be optimized by undertaker # naming current conformation FORTE1_AL1 # request to SCWRL produces command: ulimit -t 77 ; scwrl3 -i /var/tmp/to_scwrl_26112854.pdb -s /var/tmp/to_scwrl_26112854.seq -o /var/tmp/from_scwrl_26112854.pdb > /var/tmp/scwrl_26112854.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_26112854.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 T0335 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FORTE1_AL2 # request to SCWRL produces command: ulimit -t 77 ; scwrl3 -i /var/tmp/to_scwrl_1716055747.pdb -s /var/tmp/to_scwrl_1716055747.seq -o /var/tmp/from_scwrl_1716055747.pdb > /var/tmp/scwrl_1716055747.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1716055747.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 T0335 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FORTE1_AL3 # request to SCWRL produces command: ulimit -t 77 ; scwrl3 -i /var/tmp/to_scwrl_941649959.pdb -s /var/tmp/to_scwrl_941649959.seq -o /var/tmp/from_scwrl_941649959.pdb > /var/tmp/scwrl_941649959.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_941649959.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 T0335 can't currently be optimized by undertaker # naming current conformation FORTE1_AL4 # request to SCWRL produces command: ulimit -t 77 ; scwrl3 -i /var/tmp/to_scwrl_1879483823.pdb -s /var/tmp/to_scwrl_1879483823.seq -o /var/tmp/from_scwrl_1879483823.pdb > /var/tmp/scwrl_1879483823.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1879483823.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 # WARNING: incomplete conformation T0335 can't currently be optimized by undertaker # naming current conformation FORTE1_AL5 # request to SCWRL produces command: ulimit -t 77 ; scwrl3 -i /var/tmp/to_scwrl_1842898221.pdb -s /var/tmp/to_scwrl_1842898221.seq -o /var/tmp/from_scwrl_1842898221.pdb > /var/tmp/scwrl_1842898221.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1842898221.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 T0335 can't currently be optimized by undertaker # naming current conformation FORTE2_AL1 # request to SCWRL produces command: ulimit -t 77 ; scwrl3 -i /var/tmp/to_scwrl_739069863.pdb -s /var/tmp/to_scwrl_739069863.seq -o /var/tmp/from_scwrl_739069863.pdb > /var/tmp/scwrl_739069863.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_739069863.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 T0335 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FORTE2_AL2 # request to SCWRL produces command: ulimit -t 77 ; scwrl3 -i /var/tmp/to_scwrl_2049400216.pdb -s /var/tmp/to_scwrl_2049400216.seq -o /var/tmp/from_scwrl_2049400216.pdb > /var/tmp/scwrl_2049400216.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2049400216.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 # WARNING: incomplete conformation T0335 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FORTE2_AL3 # request to SCWRL produces command: ulimit -t 77 ; scwrl3 -i /var/tmp/to_scwrl_91449857.pdb -s /var/tmp/to_scwrl_91449857.seq -o /var/tmp/from_scwrl_91449857.pdb > /var/tmp/scwrl_91449857.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_91449857.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 T0335 can't currently be optimized by undertaker # naming current conformation FORTE2_AL4 # request to SCWRL produces command: ulimit -t 77 ; scwrl3 -i /var/tmp/to_scwrl_420898678.pdb -s /var/tmp/to_scwrl_420898678.seq -o /var/tmp/from_scwrl_420898678.pdb > /var/tmp/scwrl_420898678.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_420898678.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 T0335 can't currently be optimized by undertaker # naming current conformation FORTE2_AL5 # request to SCWRL produces command: ulimit -t 77 ; scwrl3 -i /var/tmp/to_scwrl_545293981.pdb -s /var/tmp/to_scwrl_545293981.seq -o /var/tmp/from_scwrl_545293981.pdb > /var/tmp/scwrl_545293981.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_545293981.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 69 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS1 # request to SCWRL produces command: ulimit -t 77 ; scwrl3 -i /var/tmp/to_scwrl_225691841.pdb -s /var/tmp/to_scwrl_225691841.seq -o /var/tmp/from_scwrl_225691841.pdb > /var/tmp/scwrl_225691841.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_225691841.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 47 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS2 # request to SCWRL produces command: ulimit -t 77 ; scwrl3 -i /var/tmp/to_scwrl_1496186705.pdb -s /var/tmp/to_scwrl_1496186705.seq -o /var/tmp/from_scwrl_1496186705.pdb > /var/tmp/scwrl_1496186705.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1496186705.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 # Found a chain break before 80 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS3 # request to SCWRL produces command: ulimit -t 77 ; scwrl3 -i /var/tmp/to_scwrl_1087270595.pdb -s /var/tmp/to_scwrl_1087270595.seq -o /var/tmp/from_scwrl_1087270595.pdb > /var/tmp/scwrl_1087270595.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1087270595.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 72 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS4 # request to SCWRL produces command: ulimit -t 77 ; scwrl3 -i /var/tmp/to_scwrl_461041646.pdb -s /var/tmp/to_scwrl_461041646.seq -o /var/tmp/from_scwrl_461041646.pdb > /var/tmp/scwrl_461041646.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_461041646.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 # Found a chain break before 82 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS5 # request to SCWRL produces command: ulimit -t 77 ; scwrl3 -i /var/tmp/to_scwrl_1310856434.pdb -s /var/tmp/to_scwrl_1310856434.seq -o /var/tmp/from_scwrl_1310856434.pdb > /var/tmp/scwrl_1310856434.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1310856434.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 77 ; scwrl3 -i /var/tmp/to_scwrl_2108639061.pdb -s /var/tmp/to_scwrl_2108639061.seq -o /var/tmp/from_scwrl_2108639061.pdb > /var/tmp/scwrl_2108639061.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2108639061.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 77 ; scwrl3 -i /var/tmp/to_scwrl_778692634.pdb -s /var/tmp/to_scwrl_778692634.seq -o /var/tmp/from_scwrl_778692634.pdb > /var/tmp/scwrl_778692634.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_778692634.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 77 ; scwrl3 -i /var/tmp/to_scwrl_1435989657.pdb -s /var/tmp/to_scwrl_1435989657.seq -o /var/tmp/from_scwrl_1435989657.pdb > /var/tmp/scwrl_1435989657.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1435989657.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 # Found a chain break before 28 # copying to AlignedFragments data structure # naming current conformation FUGMOD_TS4 # request to SCWRL produces command: ulimit -t 77 ; scwrl3 -i /var/tmp/to_scwrl_138551801.pdb -s /var/tmp/to_scwrl_138551801.seq -o /var/tmp/from_scwrl_138551801.pdb > /var/tmp/scwrl_138551801.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_138551801.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 77 ; scwrl3 -i /var/tmp/to_scwrl_1835346199.pdb -s /var/tmp/to_scwrl_1835346199.seq -o /var/tmp/from_scwrl_1835346199.pdb > /var/tmp/scwrl_1835346199.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1835346199.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 T0335 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FUGUE_AL1 # request to SCWRL produces command: ulimit -t 77 ; scwrl3 -i /var/tmp/to_scwrl_1946188186.pdb -s /var/tmp/to_scwrl_1946188186.seq -o /var/tmp/from_scwrl_1946188186.pdb > /var/tmp/scwrl_1946188186.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1946188186.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 T0335 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FUGUE_AL2 # request to SCWRL produces command: ulimit -t 77 ; scwrl3 -i /var/tmp/to_scwrl_214505961.pdb -s /var/tmp/to_scwrl_214505961.seq -o /var/tmp/from_scwrl_214505961.pdb > /var/tmp/scwrl_214505961.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_214505961.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 Skipped atom 255, because occupancy 1 <= existing 1.000 in servers/FUGUE_AL3.pdb.gz Skipped atom 257, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL3.pdb.gz Skipped atom 259, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL3.pdb.gz Skipped atom 261, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL3.pdb.gz Skipped atom 263, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL3.pdb.gz # WARNING: incomplete conformation T0335 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FUGUE_AL3 # request to SCWRL produces command: ulimit -t 77 ; scwrl3 -i /var/tmp/to_scwrl_7736132.pdb -s /var/tmp/to_scwrl_7736132.seq -o /var/tmp/from_scwrl_7736132.pdb > /var/tmp/scwrl_7736132.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_7736132.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 T0335 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FUGUE_AL4 # request to SCWRL produces command: ulimit -t 77 ; scwrl3 -i /var/tmp/to_scwrl_593532441.pdb -s /var/tmp/to_scwrl_593532441.seq -o /var/tmp/from_scwrl_593532441.pdb > /var/tmp/scwrl_593532441.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_593532441.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 T0335 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FUGUE_AL5 # request to SCWRL produces command: ulimit -t 77 ; scwrl3 -i /var/tmp/to_scwrl_621705771.pdb -s /var/tmp/to_scwrl_621705771.seq -o /var/tmp/from_scwrl_621705771.pdb > /var/tmp/scwrl_621705771.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_621705771.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 83 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS1 # request to SCWRL produces command: ulimit -t 77 ; scwrl3 -i /var/tmp/to_scwrl_1666101752.pdb -s /var/tmp/to_scwrl_1666101752.seq -o /var/tmp/from_scwrl_1666101752.pdb > /var/tmp/scwrl_1666101752.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1666101752.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 76 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS2 # request to SCWRL produces command: ulimit -t 77 ; scwrl3 -i /var/tmp/to_scwrl_89774939.pdb -s /var/tmp/to_scwrl_89774939.seq -o /var/tmp/from_scwrl_89774939.pdb > /var/tmp/scwrl_89774939.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_89774939.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 84 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS3 # request to SCWRL produces command: ulimit -t 77 ; scwrl3 -i /var/tmp/to_scwrl_1036648595.pdb -s /var/tmp/to_scwrl_1036648595.seq -o /var/tmp/from_scwrl_1036648595.pdb > /var/tmp/scwrl_1036648595.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1036648595.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 81 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS4 # request to SCWRL produces command: ulimit -t 77 ; scwrl3 -i /var/tmp/to_scwrl_352529450.pdb -s /var/tmp/to_scwrl_352529450.seq -o /var/tmp/from_scwrl_352529450.pdb > /var/tmp/scwrl_352529450.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_352529450.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 75 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS5 # request to SCWRL produces command: ulimit -t 77 ; scwrl3 -i /var/tmp/to_scwrl_1256922182.pdb -s /var/tmp/to_scwrl_1256922182.seq -o /var/tmp/from_scwrl_1256922182.pdb > /var/tmp/scwrl_1256922182.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1256922182.pdb # conformation set from SCWRL output # naming current conformation FUNCTION_TS5-scwrl # ReadConformPDB reading from PDB file servers/Frankenstein_TS1.pdb.gz looking for model 1 # naming current conformation Frankenstein_TS1 # request to SCWRL produces command: ulimit -t 77 ; scwrl3 -i /var/tmp/to_scwrl_758732522.pdb -s /var/tmp/to_scwrl_758732522.seq -o /var/tmp/from_scwrl_758732522.pdb > /var/tmp/scwrl_758732522.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_758732522.pdb # conformation set from SCWRL output # naming current conformation Frankenstein_TS1-scwrl # ReadConformPDB reading from PDB file servers/Frankenstein_TS2.pdb.gz looking for model 1 # naming current conformation Frankenstein_TS2 # request to SCWRL produces command: ulimit -t 77 ; scwrl3 -i /var/tmp/to_scwrl_378642304.pdb -s /var/tmp/to_scwrl_378642304.seq -o /var/tmp/from_scwrl_378642304.pdb > /var/tmp/scwrl_378642304.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_378642304.pdb # conformation set from SCWRL output # naming current conformation Frankenstein_TS2-scwrl # ReadConformPDB reading from PDB file servers/Frankenstein_TS3.pdb.gz looking for model 1 # Found a chain break before 71 # copying to AlignedFragments data structure # naming current conformation Frankenstein_TS3 # request to SCWRL produces command: ulimit -t 77 ; scwrl3 -i /var/tmp/to_scwrl_825494284.pdb -s /var/tmp/to_scwrl_825494284.seq -o /var/tmp/from_scwrl_825494284.pdb > /var/tmp/scwrl_825494284.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_825494284.pdb # conformation set from SCWRL output # naming current conformation Frankenstein_TS3-scwrl # ReadConformPDB reading from PDB file servers/Frankenstein_TS4.pdb.gz looking for model 1 # naming current conformation Frankenstein_TS4 # request to SCWRL produces command: ulimit -t 77 ; scwrl3 -i /var/tmp/to_scwrl_1700382480.pdb -s /var/tmp/to_scwrl_1700382480.seq -o /var/tmp/from_scwrl_1700382480.pdb > /var/tmp/scwrl_1700382480.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1700382480.pdb # conformation set from SCWRL output # naming current conformation Frankenstein_TS4-scwrl # ReadConformPDB reading from PDB file servers/GeneSilicoMetaServer_TS1.pdb.gz looking for model 1 # Found a chain break before 40 # copying to AlignedFragments data structure # naming current conformation GeneSilicoMetaServer_TS1 # request to SCWRL produces command: ulimit -t 77 ; scwrl3 -i /var/tmp/to_scwrl_110642480.pdb -s /var/tmp/to_scwrl_110642480.seq -o /var/tmp/from_scwrl_110642480.pdb > /var/tmp/scwrl_110642480.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_110642480.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 39 # copying to AlignedFragments data structure # naming current conformation GeneSilicoMetaServer_TS2 # request to SCWRL produces command: ulimit -t 77 ; scwrl3 -i /var/tmp/to_scwrl_520908858.pdb -s /var/tmp/to_scwrl_520908858.seq -o /var/tmp/from_scwrl_520908858.pdb > /var/tmp/scwrl_520908858.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_520908858.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 # naming current conformation GeneSilicoMetaServer_TS3 # request to SCWRL produces command: ulimit -t 77 ; scwrl3 -i /var/tmp/to_scwrl_291968696.pdb -s /var/tmp/to_scwrl_291968696.seq -o /var/tmp/from_scwrl_291968696.pdb > /var/tmp/scwrl_291968696.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_291968696.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 # naming current conformation GeneSilicoMetaServer_TS4 # request to SCWRL produces command: ulimit -t 77 ; scwrl3 -i /var/tmp/to_scwrl_12559049.pdb -s /var/tmp/to_scwrl_12559049.seq -o /var/tmp/from_scwrl_12559049.pdb > /var/tmp/scwrl_12559049.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_12559049.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 # Found a chain break before 83 # copying to AlignedFragments data structure # naming current conformation GeneSilicoMetaServer_TS5 # request to SCWRL produces command: ulimit -t 77 ; scwrl3 -i /var/tmp/to_scwrl_612358716.pdb -s /var/tmp/to_scwrl_612358716.seq -o /var/tmp/from_scwrl_612358716.pdb > /var/tmp/scwrl_612358716.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_612358716.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 # naming current conformation HHpred1_TS1 # request to SCWRL produces command: ulimit -t 77 ; scwrl3 -i /var/tmp/to_scwrl_712867375.pdb -s /var/tmp/to_scwrl_712867375.seq -o /var/tmp/from_scwrl_712867375.pdb > /var/tmp/scwrl_712867375.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_712867375.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 # naming current conformation HHpred2_TS1 # request to SCWRL produces command: ulimit -t 77 ; scwrl3 -i /var/tmp/to_scwrl_557853030.pdb -s /var/tmp/to_scwrl_557853030.seq -o /var/tmp/from_scwrl_557853030.pdb > /var/tmp/scwrl_557853030.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_557853030.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 # naming current conformation HHpred3_TS1 # request to SCWRL produces command: ulimit -t 77 ; scwrl3 -i /var/tmp/to_scwrl_838050557.pdb -s /var/tmp/to_scwrl_838050557.seq -o /var/tmp/from_scwrl_838050557.pdb > /var/tmp/scwrl_838050557.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_838050557.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 T0335 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS1 # request to SCWRL produces command: ulimit -t 77 ; scwrl3 -i /var/tmp/to_scwrl_61570433.pdb -s /var/tmp/to_scwrl_61570433.seq -o /var/tmp/from_scwrl_61570433.pdb > /var/tmp/scwrl_61570433.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_61570433.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 T0335 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS2 # request to SCWRL produces command: ulimit -t 77 ; scwrl3 -i /var/tmp/to_scwrl_1645123625.pdb -s /var/tmp/to_scwrl_1645123625.seq -o /var/tmp/from_scwrl_1645123625.pdb > /var/tmp/scwrl_1645123625.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1645123625.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 T0335 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS3 # request to SCWRL produces command: ulimit -t 77 ; scwrl3 -i /var/tmp/to_scwrl_1299092203.pdb -s /var/tmp/to_scwrl_1299092203.seq -o /var/tmp/from_scwrl_1299092203.pdb > /var/tmp/scwrl_1299092203.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1299092203.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 T0335 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS4 # request to SCWRL produces command: ulimit -t 77 ; scwrl3 -i /var/tmp/to_scwrl_1372426867.pdb -s /var/tmp/to_scwrl_1372426867.seq -o /var/tmp/from_scwrl_1372426867.pdb > /var/tmp/scwrl_1372426867.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1372426867.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 T0335 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS5 # request to SCWRL produces command: ulimit -t 77 ; scwrl3 -i /var/tmp/to_scwrl_1606279039.pdb -s /var/tmp/to_scwrl_1606279039.seq -o /var/tmp/from_scwrl_1606279039.pdb > /var/tmp/scwrl_1606279039.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1606279039.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 # Found a chain break before 56 # copying to AlignedFragments data structure # naming current conformation LOOPP_TS1 # request to SCWRL produces command: ulimit -t 77 ; scwrl3 -i /var/tmp/to_scwrl_2077784837.pdb -s /var/tmp/to_scwrl_2077784837.seq -o /var/tmp/from_scwrl_2077784837.pdb > /var/tmp/scwrl_2077784837.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2077784837.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 # naming current conformation LOOPP_TS2 # request to SCWRL produces command: ulimit -t 77 ; scwrl3 -i /var/tmp/to_scwrl_660932878.pdb -s /var/tmp/to_scwrl_660932878.seq -o /var/tmp/from_scwrl_660932878.pdb > /var/tmp/scwrl_660932878.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_660932878.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 T0335 can't currently be optimized by undertaker # naming current conformation LOOPP_TS3 # request to SCWRL produces command: ulimit -t 77 ; scwrl3 -i /var/tmp/to_scwrl_1744830840.pdb -s /var/tmp/to_scwrl_1744830840.seq -o /var/tmp/from_scwrl_1744830840.pdb > /var/tmp/scwrl_1744830840.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1744830840.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 T0335 can't currently be optimized by undertaker # naming current conformation LOOPP_TS4 # request to SCWRL produces command: ulimit -t 77 ; scwrl3 -i /var/tmp/to_scwrl_1765647390.pdb -s /var/tmp/to_scwrl_1765647390.seq -o /var/tmp/from_scwrl_1765647390.pdb > /var/tmp/scwrl_1765647390.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1765647390.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 T0335 can't currently be optimized by undertaker # naming current conformation LOOPP_TS5 # request to SCWRL produces command: ulimit -t 77 ; scwrl3 -i /var/tmp/to_scwrl_459637418.pdb -s /var/tmp/to_scwrl_459637418.seq -o /var/tmp/from_scwrl_459637418.pdb > /var/tmp/scwrl_459637418.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_459637418.pdb # conformation set from SCWRL output # naming current conformation LOOPP_TS5-scwrl # ReadConformPDB reading from PDB file servers/Ma-OPUS-server2_TS1.pdb.gz looking for model 1 # Found a chain break before 9 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server2_TS1 # request to SCWRL produces command: ulimit -t 77 ; scwrl3 -i /var/tmp/to_scwrl_1959336802.pdb -s /var/tmp/to_scwrl_1959336802.seq -o /var/tmp/from_scwrl_1959336802.pdb > /var/tmp/scwrl_1959336802.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1959336802.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 77 ; scwrl3 -i /var/tmp/to_scwrl_1773383522.pdb -s /var/tmp/to_scwrl_1773383522.seq -o /var/tmp/from_scwrl_1773383522.pdb > /var/tmp/scwrl_1773383522.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1773383522.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 # naming current conformation Ma-OPUS-server2_TS3 # request to SCWRL produces command: ulimit -t 77 ; scwrl3 -i /var/tmp/to_scwrl_1053169859.pdb -s /var/tmp/to_scwrl_1053169859.seq -o /var/tmp/from_scwrl_1053169859.pdb > /var/tmp/scwrl_1053169859.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1053169859.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 # WARNING: incomplete conformation T0335 can't currently be optimized by undertaker # naming current conformation Ma-OPUS-server2_TS4 # request to SCWRL produces command: ulimit -t 77 ; scwrl3 -i /var/tmp/to_scwrl_433558926.pdb -s /var/tmp/to_scwrl_433558926.seq -o /var/tmp/from_scwrl_433558926.pdb > /var/tmp/scwrl_433558926.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_433558926.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 24 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server2_TS5 # request to SCWRL produces command: ulimit -t 77 ; scwrl3 -i /var/tmp/to_scwrl_1292001628.pdb -s /var/tmp/to_scwrl_1292001628.seq -o /var/tmp/from_scwrl_1292001628.pdb > /var/tmp/scwrl_1292001628.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1292001628.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 # naming current conformation Ma-OPUS-server_TS1 # request to SCWRL produces command: ulimit -t 77 ; scwrl3 -i /var/tmp/to_scwrl_1142944797.pdb -s /var/tmp/to_scwrl_1142944797.seq -o /var/tmp/from_scwrl_1142944797.pdb > /var/tmp/scwrl_1142944797.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1142944797.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 46 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS2 # request to SCWRL produces command: ulimit -t 77 ; scwrl3 -i /var/tmp/to_scwrl_1470207520.pdb -s /var/tmp/to_scwrl_1470207520.seq -o /var/tmp/from_scwrl_1470207520.pdb > /var/tmp/scwrl_1470207520.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1470207520.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 77 ; scwrl3 -i /var/tmp/to_scwrl_1644531078.pdb -s /var/tmp/to_scwrl_1644531078.seq -o /var/tmp/from_scwrl_1644531078.pdb > /var/tmp/scwrl_1644531078.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1644531078.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 # naming current conformation Ma-OPUS-server_TS4 # request to SCWRL produces command: ulimit -t 77 ; scwrl3 -i /var/tmp/to_scwrl_252383334.pdb -s /var/tmp/to_scwrl_252383334.seq -o /var/tmp/from_scwrl_252383334.pdb > /var/tmp/scwrl_252383334.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_252383334.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 # naming current conformation Ma-OPUS-server_TS5 # request to SCWRL produces command: ulimit -t 77 ; scwrl3 -i /var/tmp/to_scwrl_81456395.pdb -s /var/tmp/to_scwrl_81456395.seq -o /var/tmp/from_scwrl_81456395.pdb > /var/tmp/scwrl_81456395.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_81456395.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 84 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS1 # request to SCWRL produces command: ulimit -t 77 ; scwrl3 -i /var/tmp/to_scwrl_2023173382.pdb -s /var/tmp/to_scwrl_2023173382.seq -o /var/tmp/from_scwrl_2023173382.pdb > /var/tmp/scwrl_2023173382.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2023173382.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 74 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS2 # request to SCWRL produces command: ulimit -t 77 ; scwrl3 -i /var/tmp/to_scwrl_1077877617.pdb -s /var/tmp/to_scwrl_1077877617.seq -o /var/tmp/from_scwrl_1077877617.pdb > /var/tmp/scwrl_1077877617.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1077877617.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 70 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS3 # request to SCWRL produces command: ulimit -t 77 ; scwrl3 -i /var/tmp/to_scwrl_1781838876.pdb -s /var/tmp/to_scwrl_1781838876.seq -o /var/tmp/from_scwrl_1781838876.pdb > /var/tmp/scwrl_1781838876.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1781838876.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 84 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS4 # request to SCWRL produces command: ulimit -t 77 ; scwrl3 -i /var/tmp/to_scwrl_2133815862.pdb -s /var/tmp/to_scwrl_2133815862.seq -o /var/tmp/from_scwrl_2133815862.pdb > /var/tmp/scwrl_2133815862.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2133815862.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 84 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS5 # request to SCWRL produces command: ulimit -t 77 ; scwrl3 -i /var/tmp/to_scwrl_1598786475.pdb -s /var/tmp/to_scwrl_1598786475.seq -o /var/tmp/from_scwrl_1598786475.pdb > /var/tmp/scwrl_1598786475.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1598786475.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 T0335 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 77 ; scwrl3 -i /var/tmp/to_scwrl_2073807572.pdb -s /var/tmp/to_scwrl_2073807572.seq -o /var/tmp/from_scwrl_2073807572.pdb > /var/tmp/scwrl_2073807572.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2073807572.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 81 # copying to AlignedFragments data structure # naming current conformation POMYSL_TS1 # request to SCWRL produces command: ulimit -t 77 ; scwrl3 -i /var/tmp/to_scwrl_2146374911.pdb -s /var/tmp/to_scwrl_2146374911.seq -o /var/tmp/from_scwrl_2146374911.pdb > /var/tmp/scwrl_2146374911.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2146374911.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 33 # copying to AlignedFragments data structure # naming current conformation POMYSL_TS2 # request to SCWRL produces command: ulimit -t 77 ; scwrl3 -i /var/tmp/to_scwrl_63661544.pdb -s /var/tmp/to_scwrl_63661544.seq -o /var/tmp/from_scwrl_63661544.pdb > /var/tmp/scwrl_63661544.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_63661544.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 76 # copying to AlignedFragments data structure # naming current conformation POMYSL_TS3 # request to SCWRL produces command: ulimit -t 77 ; scwrl3 -i /var/tmp/to_scwrl_639191300.pdb -s /var/tmp/to_scwrl_639191300.seq -o /var/tmp/from_scwrl_639191300.pdb > /var/tmp/scwrl_639191300.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_639191300.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 11 # copying to AlignedFragments data structure # naming current conformation POMYSL_TS4 # request to SCWRL produces command: ulimit -t 77 ; scwrl3 -i /var/tmp/to_scwrl_556744295.pdb -s /var/tmp/to_scwrl_556744295.seq -o /var/tmp/from_scwrl_556744295.pdb > /var/tmp/scwrl_556744295.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_556744295.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 69 # copying to AlignedFragments data structure # naming current conformation POMYSL_TS5 # request to SCWRL produces command: ulimit -t 77 ; scwrl3 -i /var/tmp/to_scwrl_901712102.pdb -s /var/tmp/to_scwrl_901712102.seq -o /var/tmp/from_scwrl_901712102.pdb > /var/tmp/scwrl_901712102.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_901712102.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 77 ; scwrl3 -i /var/tmp/to_scwrl_700761733.pdb -s /var/tmp/to_scwrl_700761733.seq -o /var/tmp/from_scwrl_700761733.pdb > /var/tmp/scwrl_700761733.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_700761733.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 77 ; scwrl3 -i /var/tmp/to_scwrl_54384273.pdb -s /var/tmp/to_scwrl_54384273.seq -o /var/tmp/from_scwrl_54384273.pdb > /var/tmp/scwrl_54384273.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_54384273.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 77 ; scwrl3 -i /var/tmp/to_scwrl_53320658.pdb -s /var/tmp/to_scwrl_53320658.seq -o /var/tmp/from_scwrl_53320658.pdb > /var/tmp/scwrl_53320658.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_53320658.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 # WARNING: incomplete conformation T0335 can't currently be optimized by undertaker # naming current conformation PROTINFO-AB_TS4 # request to SCWRL produces command: ulimit -t 77 ; scwrl3 -i /var/tmp/to_scwrl_2073188600.pdb -s /var/tmp/to_scwrl_2073188600.seq -o /var/tmp/from_scwrl_2073188600.pdb > /var/tmp/scwrl_2073188600.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2073188600.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 # WARNING: incomplete conformation T0335 can't currently be optimized by undertaker # naming current conformation PROTINFO-AB_TS5 # request to SCWRL produces command: ulimit -t 77 ; scwrl3 -i /var/tmp/to_scwrl_1660663313.pdb -s /var/tmp/to_scwrl_1660663313.seq -o /var/tmp/from_scwrl_1660663313.pdb > /var/tmp/scwrl_1660663313.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1660663313.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 77 ; scwrl3 -i /var/tmp/to_scwrl_2131105495.pdb -s /var/tmp/to_scwrl_2131105495.seq -o /var/tmp/from_scwrl_2131105495.pdb > /var/tmp/scwrl_2131105495.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2131105495.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 77 ; scwrl3 -i /var/tmp/to_scwrl_586637832.pdb -s /var/tmp/to_scwrl_586637832.seq -o /var/tmp/from_scwrl_586637832.pdb > /var/tmp/scwrl_586637832.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_586637832.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 77 ; scwrl3 -i /var/tmp/to_scwrl_1258010506.pdb -s /var/tmp/to_scwrl_1258010506.seq -o /var/tmp/from_scwrl_1258010506.pdb > /var/tmp/scwrl_1258010506.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1258010506.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 # WARNING: incomplete conformation T0335 can't currently be optimized by undertaker # naming current conformation PROTINFO_TS4 # request to SCWRL produces command: ulimit -t 77 ; scwrl3 -i /var/tmp/to_scwrl_1749269238.pdb -s /var/tmp/to_scwrl_1749269238.seq -o /var/tmp/from_scwrl_1749269238.pdb > /var/tmp/scwrl_1749269238.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1749269238.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 62 # copying to AlignedFragments data structure # naming current conformation PROTINFO_TS5 # request to SCWRL produces command: ulimit -t 77 ; scwrl3 -i /var/tmp/to_scwrl_1046275250.pdb -s /var/tmp/to_scwrl_1046275250.seq -o /var/tmp/from_scwrl_1046275250.pdb > /var/tmp/scwrl_1046275250.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1046275250.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 # naming current conformation Pcons6_TS1 # request to SCWRL produces command: ulimit -t 77 ; scwrl3 -i /var/tmp/to_scwrl_1069863662.pdb -s /var/tmp/to_scwrl_1069863662.seq -o /var/tmp/from_scwrl_1069863662.pdb > /var/tmp/scwrl_1069863662.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1069863662.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 T0335 can't currently be optimized by undertaker # naming current conformation Pcons6_TS2 # request to SCWRL produces command: ulimit -t 77 ; scwrl3 -i /var/tmp/to_scwrl_1375169114.pdb -s /var/tmp/to_scwrl_1375169114.seq -o /var/tmp/from_scwrl_1375169114.pdb > /var/tmp/scwrl_1375169114.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1375169114.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 77 ; scwrl3 -i /var/tmp/to_scwrl_2099445108.pdb -s /var/tmp/to_scwrl_2099445108.seq -o /var/tmp/from_scwrl_2099445108.pdb > /var/tmp/scwrl_2099445108.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2099445108.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 # Found a chain break before 21 # copying to AlignedFragments data structure # naming current conformation Pcons6_TS4 # request to SCWRL produces command: ulimit -t 77 ; scwrl3 -i /var/tmp/to_scwrl_1503422587.pdb -s /var/tmp/to_scwrl_1503422587.seq -o /var/tmp/from_scwrl_1503422587.pdb > /var/tmp/scwrl_1503422587.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1503422587.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 77 ; scwrl3 -i /var/tmp/to_scwrl_519687096.pdb -s /var/tmp/to_scwrl_519687096.seq -o /var/tmp/from_scwrl_519687096.pdb > /var/tmp/scwrl_519687096.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_519687096.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 T0335 can't currently be optimized by undertaker # naming current conformation Phyre-1_TS1 # request to SCWRL produces command: ulimit -t 77 ; scwrl3 -i /var/tmp/to_scwrl_1094906259.pdb -s /var/tmp/to_scwrl_1094906259.seq -o /var/tmp/from_scwrl_1094906259.pdb > /var/tmp/scwrl_1094906259.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1094906259.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 # naming current conformation Phyre-2_TS1 # request to SCWRL produces command: ulimit -t 77 ; scwrl3 -i /var/tmp/to_scwrl_826146462.pdb -s /var/tmp/to_scwrl_826146462.seq -o /var/tmp/from_scwrl_826146462.pdb > /var/tmp/scwrl_826146462.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_826146462.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 # Found a chain break before 62 # copying to AlignedFragments data structure # naming current conformation Phyre-2_TS2 # request to SCWRL produces command: ulimit -t 77 ; scwrl3 -i /var/tmp/to_scwrl_16734527.pdb -s /var/tmp/to_scwrl_16734527.seq -o /var/tmp/from_scwrl_16734527.pdb > /var/tmp/scwrl_16734527.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_16734527.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 79 # copying to AlignedFragments data structure # naming current conformation Phyre-2_TS3 # request to SCWRL produces command: ulimit -t 77 ; scwrl3 -i /var/tmp/to_scwrl_1347289593.pdb -s /var/tmp/to_scwrl_1347289593.seq -o /var/tmp/from_scwrl_1347289593.pdb > /var/tmp/scwrl_1347289593.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1347289593.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 53 # copying to AlignedFragments data structure # naming current conformation Phyre-2_TS4 # request to SCWRL produces command: ulimit -t 77 ; scwrl3 -i /var/tmp/to_scwrl_907602857.pdb -s /var/tmp/to_scwrl_907602857.seq -o /var/tmp/from_scwrl_907602857.pdb > /var/tmp/scwrl_907602857.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_907602857.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 # naming current conformation Phyre-2_TS5 # request to SCWRL produces command: ulimit -t 77 ; scwrl3 -i /var/tmp/to_scwrl_2039907909.pdb -s /var/tmp/to_scwrl_2039907909.seq -o /var/tmp/from_scwrl_2039907909.pdb > /var/tmp/scwrl_2039907909.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2039907909.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 # WARNING: incomplete conformation T0335 can't currently be optimized by undertaker # naming current conformation Pmodeller6_TS1 # request to SCWRL produces command: ulimit -t 77 ; scwrl3 -i /var/tmp/to_scwrl_277683564.pdb -s /var/tmp/to_scwrl_277683564.seq -o /var/tmp/from_scwrl_277683564.pdb > /var/tmp/scwrl_277683564.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_277683564.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 77 ; scwrl3 -i /var/tmp/to_scwrl_541958086.pdb -s /var/tmp/to_scwrl_541958086.seq -o /var/tmp/from_scwrl_541958086.pdb > /var/tmp/scwrl_541958086.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_541958086.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 # naming current conformation Pmodeller6_TS3 # request to SCWRL produces command: ulimit -t 77 ; scwrl3 -i /var/tmp/to_scwrl_2026240124.pdb -s /var/tmp/to_scwrl_2026240124.seq -o /var/tmp/from_scwrl_2026240124.pdb > /var/tmp/scwrl_2026240124.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2026240124.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 # WARNING: incomplete conformation T0335 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation Pmodeller6_TS4 # request to SCWRL produces command: ulimit -t 77 ; scwrl3 -i /var/tmp/to_scwrl_1876470039.pdb -s /var/tmp/to_scwrl_1876470039.seq -o /var/tmp/from_scwrl_1876470039.pdb > /var/tmp/scwrl_1876470039.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1876470039.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 77 ; scwrl3 -i /var/tmp/to_scwrl_468282012.pdb -s /var/tmp/to_scwrl_468282012.seq -o /var/tmp/from_scwrl_468282012.pdb > /var/tmp/scwrl_468282012.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_468282012.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 50 # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS1 # request to SCWRL produces command: ulimit -t 77 ; scwrl3 -i /var/tmp/to_scwrl_2025131388.pdb -s /var/tmp/to_scwrl_2025131388.seq -o /var/tmp/from_scwrl_2025131388.pdb > /var/tmp/scwrl_2025131388.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2025131388.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 47 # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS2 # request to SCWRL produces command: ulimit -t 77 ; scwrl3 -i /var/tmp/to_scwrl_1940131584.pdb -s /var/tmp/to_scwrl_1940131584.seq -o /var/tmp/from_scwrl_1940131584.pdb > /var/tmp/scwrl_1940131584.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1940131584.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 # Found a chain break before 21 # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS3 # request to SCWRL produces command: ulimit -t 77 ; scwrl3 -i /var/tmp/to_scwrl_1107473311.pdb -s /var/tmp/to_scwrl_1107473311.seq -o /var/tmp/from_scwrl_1107473311.pdb > /var/tmp/scwrl_1107473311.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1107473311.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 77 ; scwrl3 -i /var/tmp/to_scwrl_434392036.pdb -s /var/tmp/to_scwrl_434392036.seq -o /var/tmp/from_scwrl_434392036.pdb > /var/tmp/scwrl_434392036.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_434392036.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 # naming current conformation RAPTOR-ACE_TS5 # request to SCWRL produces command: ulimit -t 77 ; scwrl3 -i /var/tmp/to_scwrl_694360039.pdb -s /var/tmp/to_scwrl_694360039.seq -o /var/tmp/from_scwrl_694360039.pdb > /var/tmp/scwrl_694360039.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_694360039.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 83 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS1 # request to SCWRL produces command: ulimit -t 77 ; scwrl3 -i /var/tmp/to_scwrl_1808235045.pdb -s /var/tmp/to_scwrl_1808235045.seq -o /var/tmp/from_scwrl_1808235045.pdb > /var/tmp/scwrl_1808235045.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1808235045.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 81 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS2 # request to SCWRL produces command: ulimit -t 77 ; scwrl3 -i /var/tmp/to_scwrl_488776310.pdb -s /var/tmp/to_scwrl_488776310.seq -o /var/tmp/from_scwrl_488776310.pdb > /var/tmp/scwrl_488776310.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_488776310.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 80 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS3 # request to SCWRL produces command: ulimit -t 77 ; scwrl3 -i /var/tmp/to_scwrl_747680697.pdb -s /var/tmp/to_scwrl_747680697.seq -o /var/tmp/from_scwrl_747680697.pdb > /var/tmp/scwrl_747680697.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_747680697.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 18 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS4 # request to SCWRL produces command: ulimit -t 77 ; scwrl3 -i /var/tmp/to_scwrl_1733939998.pdb -s /var/tmp/to_scwrl_1733939998.seq -o /var/tmp/from_scwrl_1733939998.pdb > /var/tmp/scwrl_1733939998.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1733939998.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 83 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS5 # request to SCWRL produces command: ulimit -t 77 ; scwrl3 -i /var/tmp/to_scwrl_1955976.pdb -s /var/tmp/to_scwrl_1955976.seq -o /var/tmp/from_scwrl_1955976.pdb > /var/tmp/scwrl_1955976.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1955976.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 50 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS1 # request to SCWRL produces command: ulimit -t 77 ; scwrl3 -i /var/tmp/to_scwrl_731302545.pdb -s /var/tmp/to_scwrl_731302545.seq -o /var/tmp/from_scwrl_731302545.pdb > /var/tmp/scwrl_731302545.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_731302545.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 # naming current conformation RAPTOR_TS2 # request to SCWRL produces command: ulimit -t 77 ; scwrl3 -i /var/tmp/to_scwrl_173094183.pdb -s /var/tmp/to_scwrl_173094183.seq -o /var/tmp/from_scwrl_173094183.pdb > /var/tmp/scwrl_173094183.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_173094183.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 # Found a chain break before 47 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS3 # request to SCWRL produces command: ulimit -t 77 ; scwrl3 -i /var/tmp/to_scwrl_1259966482.pdb -s /var/tmp/to_scwrl_1259966482.seq -o /var/tmp/from_scwrl_1259966482.pdb > /var/tmp/scwrl_1259966482.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1259966482.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 77 ; scwrl3 -i /var/tmp/to_scwrl_333088137.pdb -s /var/tmp/to_scwrl_333088137.seq -o /var/tmp/from_scwrl_333088137.pdb > /var/tmp/scwrl_333088137.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_333088137.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 # Found a chain break before 49 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS5 # request to SCWRL produces command: ulimit -t 77 ; scwrl3 -i /var/tmp/to_scwrl_1219369432.pdb -s /var/tmp/to_scwrl_1219369432.seq -o /var/tmp/from_scwrl_1219369432.pdb > /var/tmp/scwrl_1219369432.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1219369432.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 77 ; scwrl3 -i /var/tmp/to_scwrl_182346498.pdb -s /var/tmp/to_scwrl_182346498.seq -o /var/tmp/from_scwrl_182346498.pdb > /var/tmp/scwrl_182346498.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_182346498.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 77 ; scwrl3 -i /var/tmp/to_scwrl_1708257251.pdb -s /var/tmp/to_scwrl_1708257251.seq -o /var/tmp/from_scwrl_1708257251.pdb > /var/tmp/scwrl_1708257251.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1708257251.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 77 ; scwrl3 -i /var/tmp/to_scwrl_1171330894.pdb -s /var/tmp/to_scwrl_1171330894.seq -o /var/tmp/from_scwrl_1171330894.pdb > /var/tmp/scwrl_1171330894.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1171330894.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 77 ; scwrl3 -i /var/tmp/to_scwrl_1685769085.pdb -s /var/tmp/to_scwrl_1685769085.seq -o /var/tmp/from_scwrl_1685769085.pdb > /var/tmp/scwrl_1685769085.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1685769085.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 77 ; scwrl3 -i /var/tmp/to_scwrl_80460700.pdb -s /var/tmp/to_scwrl_80460700.seq -o /var/tmp/from_scwrl_80460700.pdb > /var/tmp/scwrl_80460700.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_80460700.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 T0335 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation ROKKY_TS1 # request to SCWRL produces command: ulimit -t 77 ; scwrl3 -i /var/tmp/to_scwrl_118753507.pdb -s /var/tmp/to_scwrl_118753507.seq -o /var/tmp/from_scwrl_118753507.pdb > /var/tmp/scwrl_118753507.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_118753507.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 T0335 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation ROKKY_TS2 # request to SCWRL produces command: ulimit -t 77 ; scwrl3 -i /var/tmp/to_scwrl_364431900.pdb -s /var/tmp/to_scwrl_364431900.seq -o /var/tmp/from_scwrl_364431900.pdb > /var/tmp/scwrl_364431900.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_364431900.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 T0335 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation ROKKY_TS3 # request to SCWRL produces command: ulimit -t 77 ; scwrl3 -i /var/tmp/to_scwrl_97195227.pdb -s /var/tmp/to_scwrl_97195227.seq -o /var/tmp/from_scwrl_97195227.pdb > /var/tmp/scwrl_97195227.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_97195227.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 T0335 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation ROKKY_TS4 # request to SCWRL produces command: ulimit -t 77 ; scwrl3 -i /var/tmp/to_scwrl_1466043100.pdb -s /var/tmp/to_scwrl_1466043100.seq -o /var/tmp/from_scwrl_1466043100.pdb > /var/tmp/scwrl_1466043100.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1466043100.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 T0335 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation ROKKY_TS5 # request to SCWRL produces command: ulimit -t 77 ; scwrl3 -i /var/tmp/to_scwrl_1272034757.pdb -s /var/tmp/to_scwrl_1272034757.seq -o /var/tmp/from_scwrl_1272034757.pdb > /var/tmp/scwrl_1272034757.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1272034757.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 T0335 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL1 # request to SCWRL produces command: ulimit -t 77 ; scwrl3 -i /var/tmp/to_scwrl_2137103136.pdb -s /var/tmp/to_scwrl_2137103136.seq -o /var/tmp/from_scwrl_2137103136.pdb > /var/tmp/scwrl_2137103136.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2137103136.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 T0335 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL2 # request to SCWRL produces command: ulimit -t 77 ; scwrl3 -i /var/tmp/to_scwrl_1743726664.pdb -s /var/tmp/to_scwrl_1743726664.seq -o /var/tmp/from_scwrl_1743726664.pdb > /var/tmp/scwrl_1743726664.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1743726664.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 T0335 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL3 # request to SCWRL produces command: ulimit -t 77 ; scwrl3 -i /var/tmp/to_scwrl_1813992843.pdb -s /var/tmp/to_scwrl_1813992843.seq -o /var/tmp/from_scwrl_1813992843.pdb > /var/tmp/scwrl_1813992843.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1813992843.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 T0335 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL4 # request to SCWRL produces command: ulimit -t 77 ; scwrl3 -i /var/tmp/to_scwrl_2015859613.pdb -s /var/tmp/to_scwrl_2015859613.seq -o /var/tmp/from_scwrl_2015859613.pdb > /var/tmp/scwrl_2015859613.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2015859613.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 T0335 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL5 # request to SCWRL produces command: ulimit -t 77 ; scwrl3 -i /var/tmp/to_scwrl_1472713056.pdb -s /var/tmp/to_scwrl_1472713056.seq -o /var/tmp/from_scwrl_1472713056.pdb > /var/tmp/scwrl_1472713056.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1472713056.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 58 # copying to AlignedFragments data structure # naming current conformation SAM_T06_server_TS1 # request to SCWRL produces command: ulimit -t 77 ; scwrl3 -i /var/tmp/to_scwrl_134791208.pdb -s /var/tmp/to_scwrl_134791208.seq -o /var/tmp/from_scwrl_134791208.pdb > /var/tmp/scwrl_134791208.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_134791208.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 T0335 can't currently be optimized by undertaker # naming current conformation SAM_T06_server_TS2 # request to SCWRL produces command: ulimit -t 77 ; scwrl3 -i /var/tmp/to_scwrl_1893507354.pdb -s /var/tmp/to_scwrl_1893507354.seq -o /var/tmp/from_scwrl_1893507354.pdb > /var/tmp/scwrl_1893507354.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1893507354.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 T0335 can't currently be optimized by undertaker # naming current conformation SAM_T06_server_TS3 # request to SCWRL produces command: ulimit -t 77 ; scwrl3 -i /var/tmp/to_scwrl_1265360993.pdb -s /var/tmp/to_scwrl_1265360993.seq -o /var/tmp/from_scwrl_1265360993.pdb > /var/tmp/scwrl_1265360993.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1265360993.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 T0335 can't currently be optimized by undertaker # naming current conformation SAM_T06_server_TS4 # request to SCWRL produces command: ulimit -t 77 ; scwrl3 -i /var/tmp/to_scwrl_1242264520.pdb -s /var/tmp/to_scwrl_1242264520.seq -o /var/tmp/from_scwrl_1242264520.pdb > /var/tmp/scwrl_1242264520.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1242264520.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 T0335 can't currently be optimized by undertaker # naming current conformation SAM_T06_server_TS5 # request to SCWRL produces command: ulimit -t 77 ; scwrl3 -i /var/tmp/to_scwrl_180415744.pdb -s /var/tmp/to_scwrl_180415744.seq -o /var/tmp/from_scwrl_180415744.pdb > /var/tmp/scwrl_180415744.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_180415744.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 21 # copying to AlignedFragments data structure # naming current conformation SP3_TS1 # request to SCWRL produces command: ulimit -t 77 ; scwrl3 -i /var/tmp/to_scwrl_1959721032.pdb -s /var/tmp/to_scwrl_1959721032.seq -o /var/tmp/from_scwrl_1959721032.pdb > /var/tmp/scwrl_1959721032.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1959721032.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 # Found a chain break before 56 # copying to AlignedFragments data structure # naming current conformation SP3_TS2 # request to SCWRL produces command: ulimit -t 77 ; scwrl3 -i /var/tmp/to_scwrl_903015919.pdb -s /var/tmp/to_scwrl_903015919.seq -o /var/tmp/from_scwrl_903015919.pdb > /var/tmp/scwrl_903015919.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_903015919.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 # Found a chain break before 39 # copying to AlignedFragments data structure # naming current conformation SP3_TS3 # request to SCWRL produces command: ulimit -t 77 ; scwrl3 -i /var/tmp/to_scwrl_669192054.pdb -s /var/tmp/to_scwrl_669192054.seq -o /var/tmp/from_scwrl_669192054.pdb > /var/tmp/scwrl_669192054.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_669192054.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 75 # copying to AlignedFragments data structure # naming current conformation SP3_TS4 # request to SCWRL produces command: ulimit -t 77 ; scwrl3 -i /var/tmp/to_scwrl_559918082.pdb -s /var/tmp/to_scwrl_559918082.seq -o /var/tmp/from_scwrl_559918082.pdb > /var/tmp/scwrl_559918082.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_559918082.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 77 ; scwrl3 -i /var/tmp/to_scwrl_489472270.pdb -s /var/tmp/to_scwrl_489472270.seq -o /var/tmp/from_scwrl_489472270.pdb > /var/tmp/scwrl_489472270.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_489472270.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 21 # copying to AlignedFragments data structure # naming current conformation SP4_TS1 # request to SCWRL produces command: ulimit -t 77 ; scwrl3 -i /var/tmp/to_scwrl_671148030.pdb -s /var/tmp/to_scwrl_671148030.seq -o /var/tmp/from_scwrl_671148030.pdb > /var/tmp/scwrl_671148030.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_671148030.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 # Found a chain break before 50 # copying to AlignedFragments data structure # naming current conformation SP4_TS2 # request to SCWRL produces command: ulimit -t 77 ; scwrl3 -i /var/tmp/to_scwrl_1291220627.pdb -s /var/tmp/to_scwrl_1291220627.seq -o /var/tmp/from_scwrl_1291220627.pdb > /var/tmp/scwrl_1291220627.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1291220627.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 # naming current conformation SP4_TS3 # request to SCWRL produces command: ulimit -t 77 ; scwrl3 -i /var/tmp/to_scwrl_662566454.pdb -s /var/tmp/to_scwrl_662566454.seq -o /var/tmp/from_scwrl_662566454.pdb > /var/tmp/scwrl_662566454.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_662566454.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 # Found a chain break before 75 # copying to AlignedFragments data structure # naming current conformation SP4_TS4 # request to SCWRL produces command: ulimit -t 77 ; scwrl3 -i /var/tmp/to_scwrl_1931114512.pdb -s /var/tmp/to_scwrl_1931114512.seq -o /var/tmp/from_scwrl_1931114512.pdb > /var/tmp/scwrl_1931114512.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1931114512.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 53 # copying to AlignedFragments data structure # naming current conformation SP4_TS5 # request to SCWRL produces command: ulimit -t 77 ; scwrl3 -i /var/tmp/to_scwrl_1624308764.pdb -s /var/tmp/to_scwrl_1624308764.seq -o /var/tmp/from_scwrl_1624308764.pdb > /var/tmp/scwrl_1624308764.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1624308764.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 77 ; scwrl3 -i /var/tmp/to_scwrl_1881935886.pdb -s /var/tmp/to_scwrl_1881935886.seq -o /var/tmp/from_scwrl_1881935886.pdb > /var/tmp/scwrl_1881935886.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1881935886.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 27 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS2 # request to SCWRL produces command: ulimit -t 77 ; scwrl3 -i /var/tmp/to_scwrl_2113461010.pdb -s /var/tmp/to_scwrl_2113461010.seq -o /var/tmp/from_scwrl_2113461010.pdb > /var/tmp/scwrl_2113461010.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2113461010.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 75 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS3 # request to SCWRL produces command: ulimit -t 77 ; scwrl3 -i /var/tmp/to_scwrl_1185082368.pdb -s /var/tmp/to_scwrl_1185082368.seq -o /var/tmp/from_scwrl_1185082368.pdb > /var/tmp/scwrl_1185082368.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1185082368.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 # naming current conformation SPARKS2_TS4 # request to SCWRL produces command: ulimit -t 77 ; scwrl3 -i /var/tmp/to_scwrl_905783134.pdb -s /var/tmp/to_scwrl_905783134.seq -o /var/tmp/from_scwrl_905783134.pdb > /var/tmp/scwrl_905783134.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_905783134.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 50 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS5 # request to SCWRL produces command: ulimit -t 77 ; scwrl3 -i /var/tmp/to_scwrl_1651746449.pdb -s /var/tmp/to_scwrl_1651746449.seq -o /var/tmp/from_scwrl_1651746449.pdb > /var/tmp/scwrl_1651746449.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1651746449.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 T0335 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS1 # request to SCWRL produces command: ulimit -t 77 ; scwrl3 -i /var/tmp/to_scwrl_1265543068.pdb -s /var/tmp/to_scwrl_1265543068.seq -o /var/tmp/from_scwrl_1265543068.pdb > /var/tmp/scwrl_1265543068.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1265543068.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 T0335 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS2 # request to SCWRL produces command: ulimit -t 77 ; scwrl3 -i /var/tmp/to_scwrl_1024536641.pdb -s /var/tmp/to_scwrl_1024536641.seq -o /var/tmp/from_scwrl_1024536641.pdb > /var/tmp/scwrl_1024536641.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1024536641.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 T0335 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS3 # request to SCWRL produces command: ulimit -t 77 ; scwrl3 -i /var/tmp/to_scwrl_2016178349.pdb -s /var/tmp/to_scwrl_2016178349.seq -o /var/tmp/from_scwrl_2016178349.pdb > /var/tmp/scwrl_2016178349.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2016178349.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 T0335 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS4 # request to SCWRL produces command: ulimit -t 77 ; scwrl3 -i /var/tmp/to_scwrl_1362738295.pdb -s /var/tmp/to_scwrl_1362738295.seq -o /var/tmp/from_scwrl_1362738295.pdb > /var/tmp/scwrl_1362738295.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1362738295.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 T0335 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS5 # request to SCWRL produces command: ulimit -t 77 ; scwrl3 -i /var/tmp/to_scwrl_343096094.pdb -s /var/tmp/to_scwrl_343096094.seq -o /var/tmp/from_scwrl_343096094.pdb > /var/tmp/scwrl_343096094.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_343096094.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 T0335 can't currently be optimized by undertaker # naming current conformation UNI-EID_expm_TS1 # request to SCWRL produces command: ulimit -t 77 ; scwrl3 -i /var/tmp/to_scwrl_1140729459.pdb -s /var/tmp/to_scwrl_1140729459.seq -o /var/tmp/from_scwrl_1140729459.pdb > /var/tmp/scwrl_1140729459.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1140729459.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 T0335 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL1 # request to SCWRL produces command: ulimit -t 77 ; scwrl3 -i /var/tmp/to_scwrl_1352357784.pdb -s /var/tmp/to_scwrl_1352357784.seq -o /var/tmp/from_scwrl_1352357784.pdb > /var/tmp/scwrl_1352357784.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1352357784.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 T0335 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL2 # request to SCWRL produces command: ulimit -t 77 ; scwrl3 -i /var/tmp/to_scwrl_2086822758.pdb -s /var/tmp/to_scwrl_2086822758.seq -o /var/tmp/from_scwrl_2086822758.pdb > /var/tmp/scwrl_2086822758.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2086822758.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 T0335 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL3 # request to SCWRL produces command: ulimit -t 77 ; scwrl3 -i /var/tmp/to_scwrl_807238657.pdb -s /var/tmp/to_scwrl_807238657.seq -o /var/tmp/from_scwrl_807238657.pdb > /var/tmp/scwrl_807238657.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_807238657.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 T0335 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL4 # request to SCWRL produces command: ulimit -t 77 ; scwrl3 -i /var/tmp/to_scwrl_1220733750.pdb -s /var/tmp/to_scwrl_1220733750.seq -o /var/tmp/from_scwrl_1220733750.pdb > /var/tmp/scwrl_1220733750.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1220733750.pdb # conformation set from SCWRL output # naming current conformation UNI-EID_sfst_AL4-scwrl # ReadConformPDB reading from PDB file servers/Zhang-Server_TS1.pdb.gz looking for model 1 # Found a chain break before 54 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS1 # request to SCWRL produces command: ulimit -t 77 ; scwrl3 -i /var/tmp/to_scwrl_1412052168.pdb -s /var/tmp/to_scwrl_1412052168.seq -o /var/tmp/from_scwrl_1412052168.pdb > /var/tmp/scwrl_1412052168.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1412052168.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 60 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS2 # request to SCWRL produces command: ulimit -t 77 ; scwrl3 -i /var/tmp/to_scwrl_942029865.pdb -s /var/tmp/to_scwrl_942029865.seq -o /var/tmp/from_scwrl_942029865.pdb > /var/tmp/scwrl_942029865.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_942029865.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 79 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS3 # request to SCWRL produces command: ulimit -t 77 ; scwrl3 -i /var/tmp/to_scwrl_966757458.pdb -s /var/tmp/to_scwrl_966757458.seq -o /var/tmp/from_scwrl_966757458.pdb > /var/tmp/scwrl_966757458.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_966757458.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 76 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS4 # request to SCWRL produces command: ulimit -t 77 ; scwrl3 -i /var/tmp/to_scwrl_529929515.pdb -s /var/tmp/to_scwrl_529929515.seq -o /var/tmp/from_scwrl_529929515.pdb > /var/tmp/scwrl_529929515.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_529929515.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 82 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS5 # request to SCWRL produces command: ulimit -t 77 ; scwrl3 -i /var/tmp/to_scwrl_36810738.pdb -s /var/tmp/to_scwrl_36810738.seq -o /var/tmp/from_scwrl_36810738.pdb > /var/tmp/scwrl_36810738.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_36810738.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 # WARNING: incomplete conformation T0335 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation beautshot_TS1 # request to SCWRL produces command: ulimit -t 77 ; scwrl3 -i /var/tmp/to_scwrl_1147173201.pdb -s /var/tmp/to_scwrl_1147173201.seq -o /var/tmp/from_scwrl_1147173201.pdb > /var/tmp/scwrl_1147173201.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1147173201.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 T0335 can't currently be optimized by undertaker # naming current conformation beautshotbase_TS1 # request to SCWRL produces command: ulimit -t 77 ; scwrl3 -i /var/tmp/to_scwrl_342166901.pdb -s /var/tmp/to_scwrl_342166901.seq -o /var/tmp/from_scwrl_342166901.pdb > /var/tmp/scwrl_342166901.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_342166901.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 T0335 can't currently be optimized by undertaker # naming current conformation forecast-s_AL1 # request to SCWRL produces command: ulimit -t 77 ; scwrl3 -i /var/tmp/to_scwrl_939826657.pdb -s /var/tmp/to_scwrl_939826657.seq -o /var/tmp/from_scwrl_939826657.pdb > /var/tmp/scwrl_939826657.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_939826657.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 T0335 can't currently be optimized by undertaker # naming current conformation forecast-s_AL2 # request to SCWRL produces command: ulimit -t 77 ; scwrl3 -i /var/tmp/to_scwrl_1816365255.pdb -s /var/tmp/to_scwrl_1816365255.seq -o /var/tmp/from_scwrl_1816365255.pdb > /var/tmp/scwrl_1816365255.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1816365255.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 T0335 can't currently be optimized by undertaker # naming current conformation forecast-s_AL3 # request to SCWRL produces command: ulimit -t 77 ; scwrl3 -i /var/tmp/to_scwrl_902084983.pdb -s /var/tmp/to_scwrl_902084983.seq -o /var/tmp/from_scwrl_902084983.pdb > /var/tmp/scwrl_902084983.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_902084983.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 T0335 can't currently be optimized by undertaker # naming current conformation forecast-s_AL4 # request to SCWRL produces command: ulimit -t 77 ; scwrl3 -i /var/tmp/to_scwrl_1429298927.pdb -s /var/tmp/to_scwrl_1429298927.seq -o /var/tmp/from_scwrl_1429298927.pdb > /var/tmp/scwrl_1429298927.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1429298927.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 T0335 can't currently be optimized by undertaker # naming current conformation forecast-s_AL5 # request to SCWRL produces command: ulimit -t 77 ; scwrl3 -i /var/tmp/to_scwrl_340029638.pdb -s /var/tmp/to_scwrl_340029638.seq -o /var/tmp/from_scwrl_340029638.pdb > /var/tmp/scwrl_340029638.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_340029638.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 50 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS1 # request to SCWRL produces command: ulimit -t 77 ; scwrl3 -i /var/tmp/to_scwrl_45821963.pdb -s /var/tmp/to_scwrl_45821963.seq -o /var/tmp/from_scwrl_45821963.pdb > /var/tmp/scwrl_45821963.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_45821963.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 77 ; scwrl3 -i /var/tmp/to_scwrl_2091865381.pdb -s /var/tmp/to_scwrl_2091865381.seq -o /var/tmp/from_scwrl_2091865381.pdb > /var/tmp/scwrl_2091865381.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2091865381.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 77 ; scwrl3 -i /var/tmp/to_scwrl_123660504.pdb -s /var/tmp/to_scwrl_123660504.seq -o /var/tmp/from_scwrl_123660504.pdb > /var/tmp/scwrl_123660504.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_123660504.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 # Found a chain break before 37 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS4 # request to SCWRL produces command: ulimit -t 77 ; scwrl3 -i /var/tmp/to_scwrl_1670130727.pdb -s /var/tmp/to_scwrl_1670130727.seq -o /var/tmp/from_scwrl_1670130727.pdb > /var/tmp/scwrl_1670130727.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1670130727.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 # Found a chain break before 50 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS5 # request to SCWRL produces command: ulimit -t 77 ; scwrl3 -i /var/tmp/to_scwrl_1826317620.pdb -s /var/tmp/to_scwrl_1826317620.seq -o /var/tmp/from_scwrl_1826317620.pdb > /var/tmp/scwrl_1826317620.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1826317620.pdb # conformation set from SCWRL output # naming current conformation karypis.srv.2_TS5-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0335 can't currently be optimized by undertaker # naming current conformation karypis.srv_TS1 # request to SCWRL produces command: ulimit -t 77 ; scwrl3 -i /var/tmp/to_scwrl_89637867.pdb -s /var/tmp/to_scwrl_89637867.seq -o /var/tmp/from_scwrl_89637867.pdb > /var/tmp/scwrl_89637867.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_89637867.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 # WARNING: incomplete conformation T0335 can't currently be optimized by undertaker # naming current conformation karypis.srv_TS2 # request to SCWRL produces command: ulimit -t 77 ; scwrl3 -i /var/tmp/to_scwrl_707729449.pdb -s /var/tmp/to_scwrl_707729449.seq -o /var/tmp/from_scwrl_707729449.pdb > /var/tmp/scwrl_707729449.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_707729449.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 T0335 can't currently be optimized by undertaker # naming current conformation karypis.srv_TS3 # request to SCWRL produces command: ulimit -t 77 ; scwrl3 -i /var/tmp/to_scwrl_584617108.pdb -s /var/tmp/to_scwrl_584617108.seq -o /var/tmp/from_scwrl_584617108.pdb > /var/tmp/scwrl_584617108.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_584617108.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 T0335 can't currently be optimized by undertaker # naming current conformation karypis.srv_TS4 # request to SCWRL produces command: ulimit -t 77 ; scwrl3 -i /var/tmp/to_scwrl_1741384316.pdb -s /var/tmp/to_scwrl_1741384316.seq -o /var/tmp/from_scwrl_1741384316.pdb > /var/tmp/scwrl_1741384316.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1741384316.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 T0335 can't currently be optimized by undertaker # naming current conformation karypis.srv_TS5 # request to SCWRL produces command: ulimit -t 77 ; scwrl3 -i /var/tmp/to_scwrl_1973272517.pdb -s /var/tmp/to_scwrl_1973272517.seq -o /var/tmp/from_scwrl_1973272517.pdb > /var/tmp/scwrl_1973272517.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1973272517.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 # Found a chain break before 76 # copying to AlignedFragments data structure # naming current conformation keasar-server_TS1 # request to SCWRL produces command: ulimit -t 77 ; scwrl3 -i /var/tmp/to_scwrl_1609153748.pdb -s /var/tmp/to_scwrl_1609153748.seq -o /var/tmp/from_scwrl_1609153748.pdb > /var/tmp/scwrl_1609153748.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1609153748.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 # Found a chain break before 6 # copying to AlignedFragments data structure # naming current conformation keasar-server_TS2 # request to SCWRL produces command: ulimit -t 77 ; scwrl3 -i /var/tmp/to_scwrl_1610079019.pdb -s /var/tmp/to_scwrl_1610079019.seq -o /var/tmp/from_scwrl_1610079019.pdb > /var/tmp/scwrl_1610079019.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1610079019.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 # naming current conformation keasar-server_TS3 # request to SCWRL produces command: ulimit -t 77 ; scwrl3 -i /var/tmp/to_scwrl_1188527165.pdb -s /var/tmp/to_scwrl_1188527165.seq -o /var/tmp/from_scwrl_1188527165.pdb > /var/tmp/scwrl_1188527165.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1188527165.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 35 # copying to AlignedFragments data structure # naming current conformation keasar-server_TS4 # request to SCWRL produces command: ulimit -t 77 ; scwrl3 -i /var/tmp/to_scwrl_1952249843.pdb -s /var/tmp/to_scwrl_1952249843.seq -o /var/tmp/from_scwrl_1952249843.pdb > /var/tmp/scwrl_1952249843.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1952249843.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 # naming current conformation keasar-server_TS5 # request to SCWRL produces command: ulimit -t 77 ; scwrl3 -i /var/tmp/to_scwrl_603324832.pdb -s /var/tmp/to_scwrl_603324832.seq -o /var/tmp/from_scwrl_603324832.pdb > /var/tmp/scwrl_603324832.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_603324832.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 T0335 can't currently be optimized by undertaker # naming current conformation mGen-3D_TS1 # request to SCWRL produces command: ulimit -t 77 ; scwrl3 -i /var/tmp/to_scwrl_393401303.pdb -s /var/tmp/to_scwrl_393401303.seq -o /var/tmp/from_scwrl_393401303.pdb > /var/tmp/scwrl_393401303.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_393401303.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 T0335 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation nFOLD_TS1 # request to SCWRL produces command: ulimit -t 77 ; scwrl3 -i /var/tmp/to_scwrl_1891588954.pdb -s /var/tmp/to_scwrl_1891588954.seq -o /var/tmp/from_scwrl_1891588954.pdb > /var/tmp/scwrl_1891588954.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1891588954.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 T0335 can't currently be optimized by undertaker # naming current conformation nFOLD_TS2 # request to SCWRL produces command: ulimit -t 77 ; scwrl3 -i /var/tmp/to_scwrl_1410563488.pdb -s /var/tmp/to_scwrl_1410563488.seq -o /var/tmp/from_scwrl_1410563488.pdb > /var/tmp/scwrl_1410563488.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1410563488.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 T0335 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation nFOLD_TS3 # request to SCWRL produces command: ulimit -t 77 ; scwrl3 -i /var/tmp/to_scwrl_1614135053.pdb -s /var/tmp/to_scwrl_1614135053.seq -o /var/tmp/from_scwrl_1614135053.pdb > /var/tmp/scwrl_1614135053.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1614135053.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 T0335 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation nFOLD_TS4 # request to SCWRL produces command: ulimit -t 77 ; scwrl3 -i /var/tmp/to_scwrl_1156157475.pdb -s /var/tmp/to_scwrl_1156157475.seq -o /var/tmp/from_scwrl_1156157475.pdb > /var/tmp/scwrl_1156157475.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1156157475.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 T0335 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation nFOLD_TS5 # request to SCWRL produces command: ulimit -t 77 ; scwrl3 -i /var/tmp/to_scwrl_205109707.pdb -s /var/tmp/to_scwrl_205109707.seq -o /var/tmp/from_scwrl_205109707.pdb > /var/tmp/scwrl_205109707.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_205109707.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 T0335 can't currently be optimized by undertaker # naming current conformation panther2_TS1 # request to SCWRL produces command: ulimit -t 77 ; scwrl3 -i /var/tmp/to_scwrl_433408865.pdb -s /var/tmp/to_scwrl_433408865.seq -o /var/tmp/from_scwrl_433408865.pdb > /var/tmp/scwrl_433408865.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_433408865.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 T0335 can't currently be optimized by undertaker # naming current conformation shub_TS1 # request to SCWRL produces command: ulimit -t 77 ; scwrl3 -i /var/tmp/to_scwrl_1686086991.pdb -s /var/tmp/to_scwrl_1686086991.seq -o /var/tmp/from_scwrl_1686086991.pdb > /var/tmp/scwrl_1686086991.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1686086991.pdb # conformation set from SCWRL output # naming current conformation shub_TS1-scwrl # command:CPU_time= 21.694 sec, elapsed time= 213.432 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 69.662 real_cost = 75.980 shub_TS1 costs 69.659 real_cost = 79.514 panther2_TS1-scwrl costs 111.175 real_cost = 217.909 panther2_TS1 costs 111.133 real_cost = 216.778 nFOLD_TS5-scwrl costs 79.477 real_cost = 49.981 nFOLD_TS5 costs 79.477 real_cost = 98.841 nFOLD_TS4-scwrl costs 84.755 real_cost = 33.977 nFOLD_TS4 costs 84.755 real_cost = 29.796 nFOLD_TS3-scwrl costs 75.594 real_cost = 55.105 nFOLD_TS3 costs 75.594 real_cost = 103.026 nFOLD_TS2-scwrl costs 69.478 real_cost = 48.674 nFOLD_TS2 costs 69.649 real_cost = 84.592 nFOLD_TS1-scwrl costs 77.866 real_cost = 132.947 nFOLD_TS1 costs 77.866 real_cost = 165.969 mGen-3D_TS1-scwrl costs 56.994 real_cost = -42.457 mGen-3D_TS1 costs 57.044 real_cost = -11.159 keasar-server_TS5-scwrl costs 74.941 real_cost = 66.257 keasar-server_TS5 costs 74.941 real_cost = 94.860 keasar-server_TS4-scwrl costs 158.291 real_cost = 339.744 keasar-server_TS4 costs 158.291 real_cost = 339.666 keasar-server_TS3-scwrl costs 74.941 real_cost = 66.257 keasar-server_TS3 costs 74.941 real_cost = 94.860 keasar-server_TS2-scwrl costs 157.968 real_cost = 308.848 keasar-server_TS2 costs 157.968 real_cost = 309.090 keasar-server_TS1-scwrl costs 66.933 real_cost = 6.262 keasar-server_TS1 costs 66.933 real_cost = 5.779 karypis.srv_TS5-scwrl costs 84.614 real_cost = 23.615 karypis.srv_TS5 costs 84.598 real_cost = 21.615 karypis.srv_TS4-scwrl costs 119.029 real_cost = 143.436 karypis.srv_TS4 costs 119.022 real_cost = 141.836 karypis.srv_TS3-scwrl costs 121.522 real_cost = 156.397 karypis.srv_TS3 costs 121.524 real_cost = 154.597 karypis.srv_TS2-scwrl costs 120.354 real_cost = 157.136 karypis.srv_TS2 costs 120.352 real_cost = 151.428 karypis.srv_TS1-scwrl costs 92.558 real_cost = 133.304 karypis.srv_TS1 costs 92.579 real_cost = 131.704 karypis.srv.2_TS5-scwrl costs 99.088 real_cost = 177.481 karypis.srv.2_TS5 costs 99.088 real_cost = 177.481 karypis.srv.2_TS4-scwrl costs 79.352 real_cost = 154.121 karypis.srv.2_TS4 costs 79.352 real_cost = 154.121 karypis.srv.2_TS3-scwrl costs 93.096 real_cost = 133.966 karypis.srv.2_TS3 costs 93.096 real_cost = 133.966 karypis.srv.2_TS2-scwrl costs 108.513 real_cost = 161.731 karypis.srv.2_TS2 costs 108.513 real_cost = 161.731 karypis.srv.2_TS1-scwrl costs 76.231 real_cost = 119.378 karypis.srv.2_TS1 costs 76.231 real_cost = 116.850 forecast-s_AL5-scwrl costs 120.890 real_cost = 185.380 forecast-s_AL5 costs 121.022 real_cost = 195.825 forecast-s_AL4-scwrl costs 94.660 real_cost = 180.628 forecast-s_AL4 costs 94.683 real_cost = 244.981 forecast-s_AL3-scwrl costs 114.671 real_cost = 84.397 forecast-s_AL3 costs 114.694 real_cost = 100.794 forecast-s_AL2-scwrl costs 125.171 real_cost = 180.717 forecast-s_AL2 costs 125.127 real_cost = 227.798 forecast-s_AL1-scwrl costs 168.537 real_cost = 353.001 forecast-s_AL1 costs 168.621 real_cost = 382.991 beautshotbase_TS1-scwrl costs 56.003 real_cost = 101.609 beautshotbase_TS1 costs 56.037 real_cost = 100.401 beautshot_TS1-scwrl costs 97.588 real_cost = 84.465 beautshot_TS1 costs 97.588 real_cost = 90.445 Zhang-Server_TS5-scwrl costs 69.423 real_cost = -44.286 Zhang-Server_TS5 costs 69.423 real_cost = -44.286 Zhang-Server_TS4-scwrl costs 49.480 real_cost = -114.108 Zhang-Server_TS4 costs 49.480 real_cost = -114.108 Zhang-Server_TS3-scwrl costs 58.836 real_cost = -126.721 Zhang-Server_TS3 costs 58.836 real_cost = -126.721 Zhang-Server_TS2-scwrl costs 51.985 real_cost = -124.848 Zhang-Server_TS2 costs 51.985 real_cost = -124.848 Zhang-Server_TS1-scwrl costs 45.478 real_cost = -184.543 Zhang-Server_TS1 costs 45.478 real_cost = -184.543 UNI-EID_sfst_AL4-scwrl costs 76.367 real_cost = 83.906 UNI-EID_sfst_AL4 costs 76.184 real_cost = 144.288 UNI-EID_sfst_AL3-scwrl costs 94.528 real_cost = 107.888 UNI-EID_sfst_AL3 costs 94.560 real_cost = 148.416 UNI-EID_sfst_AL2-scwrl costs 73.989 real_cost = 139.560 UNI-EID_sfst_AL2 costs 73.984 real_cost = 164.463 UNI-EID_sfst_AL1-scwrl costs 79.821 real_cost = 58.045 UNI-EID_sfst_AL1 costs 79.845 real_cost = 67.880 UNI-EID_expm_TS1-scwrl costs 88.345 real_cost = 63.733 UNI-EID_expm_TS1 costs 88.328 real_cost = 70.735 UNI-EID_bnmx_TS5-scwrl costs 104.383 real_cost = 173.098 UNI-EID_bnmx_TS5 costs 104.368 real_cost = 234.721 UNI-EID_bnmx_TS4-scwrl costs 45.781 real_cost = 100.211 UNI-EID_bnmx_TS4 costs 45.597 real_cost = 142.863 UNI-EID_bnmx_TS3-scwrl costs 91.634 real_cost = 200.484 UNI-EID_bnmx_TS3 costs 91.622 real_cost = 232.236 UNI-EID_bnmx_TS2-scwrl costs 62.846 real_cost = 106.085 UNI-EID_bnmx_TS2 costs 63.027 real_cost = 148.015 UNI-EID_bnmx_TS1-scwrl costs 83.952 real_cost = 84.544 UNI-EID_bnmx_TS1 costs 83.893 real_cost = 111.607 SPARKS2_TS5-scwrl costs 78.318 real_cost = 127.315 SPARKS2_TS5 costs 78.318 real_cost = 128.632 SPARKS2_TS4-scwrl costs 69.639 real_cost = 9.834 SPARKS2_TS4 costs 69.639 real_cost = 10.466 SPARKS2_TS3-scwrl costs 56.701 real_cost = -162.682 SPARKS2_TS3 costs 56.701 real_cost = -172.901 SPARKS2_TS2-scwrl costs 83.480 real_cost = -20.614 SPARKS2_TS2 costs 83.480 real_cost = -19.830 SPARKS2_TS1-scwrl costs 66.573 real_cost = 107.966 SPARKS2_TS1 costs 66.573 real_cost = 100.291 SP4_TS5-scwrl costs 101.705 real_cost = 114.927 SP4_TS5 costs 101.705 real_cost = 123.570 SP4_TS4-scwrl costs 64.698 real_cost = -167.304 SP4_TS4 costs 64.698 real_cost = -159.613 SP4_TS3-scwrl costs 63.289 real_cost = -13.879 SP4_TS3 costs 63.289 real_cost = -17.323 SP4_TS2-scwrl costs 80.581 real_cost = 135.468 SP4_TS2 costs 80.581 real_cost = 132.759 SP4_TS1-scwrl costs 55.363 real_cost = -48.941 SP4_TS1 costs 55.363 real_cost = -49.192 SP3_TS5-scwrl costs 77.010 real_cost = 25.309 SP3_TS5 costs 77.010 real_cost = 39.755 SP3_TS4-scwrl costs 69.009 real_cost = 5.548 SP3_TS4 costs 69.009 real_cost = 2.787 SP3_TS3-scwrl costs 74.741 real_cost = 64.524 SP3_TS3 costs 74.741 real_cost = 75.424 SP3_TS2-scwrl costs 85.019 real_cost = -15.695 SP3_TS2 costs 85.019 real_cost = -10.266 SP3_TS1-scwrl costs 55.363 real_cost = -48.941 SP3_TS1 costs 55.363 real_cost = -49.192 SAM_T06_server_TS5-scwrl costs 77.512 real_cost = 53.779 SAM_T06_server_TS5 costs 77.509 real_cost = 48.253 SAM_T06_server_TS4-scwrl costs 128.312 real_cost = 180.311 SAM_T06_server_TS4 costs 128.333 real_cost = 135.719 SAM_T06_server_TS3-scwrl costs 83.770 real_cost = 317.804 SAM_T06_server_TS3 costs 83.816 real_cost = 300.905 SAM_T06_server_TS2-scwrl costs 71.727 real_cost = 113.870 SAM_T06_server_TS2 costs 71.737 real_cost = 115.692 SAM_T06_server_TS1-scwrl costs 51.703 real_cost = -86.034 SAM_T06_server_TS1 costs 51.703 real_cost = -88.439 SAM-T02_AL5-scwrl costs 151.557 real_cost = 349.973 SAM-T02_AL5 costs 151.539 real_cost = 377.607 SAM-T02_AL4-scwrl costs 110.997 real_cost = 229.957 SAM-T02_AL4 costs 110.940 real_cost = 219.196 SAM-T02_AL3-scwrl costs 126.814 real_cost = 156.947 SAM-T02_AL3 costs 126.914 real_cost = 177.858 SAM-T02_AL2-scwrl costs 103.420 real_cost = 205.358 SAM-T02_AL2 costs 103.438 real_cost = 232.887 SAM-T02_AL1-scwrl costs 108.939 real_cost = 37.937 SAM-T02_AL1 costs 108.945 real_cost = 98.925 ROKKY_TS5-scwrl costs 34.846 real_cost = -179.627 ROKKY_TS5 costs 34.846 real_cost = -128.324 ROKKY_TS4-scwrl costs 31.395 real_cost = -163.123 ROKKY_TS4 costs 31.395 real_cost = -106.081 ROKKY_TS3-scwrl costs 26.004 real_cost = -200.685 ROKKY_TS3 costs 26.004 real_cost = -141.693 ROKKY_TS2-scwrl costs 41.538 real_cost = -145.862 ROKKY_TS2 costs 41.538 real_cost = -89.554 ROKKY_TS1-scwrl costs 25.517 real_cost = -143.352 ROKKY_TS1 costs 25.517 real_cost = -79.389 ROBETTA_TS5-scwrl costs 36.829 real_cost = -175.106 ROBETTA_TS5 costs 36.829 real_cost = -170.644 ROBETTA_TS4-scwrl costs 30.387 real_cost = -105.114 ROBETTA_TS4 costs 30.387 real_cost = -103.965 ROBETTA_TS3-scwrl costs 32.341 real_cost = -121.814 ROBETTA_TS3 costs 32.341 real_cost = -109.122 ROBETTA_TS2-scwrl costs 23.154 real_cost = -90.471 ROBETTA_TS2 costs 23.154 real_cost = -79.757 ROBETTA_TS1-scwrl costs 24.095 real_cost = -99.741 ROBETTA_TS1 costs 24.095 real_cost = -103.358 RAPTOR_TS5-scwrl costs 90.839 real_cost = 61.238 RAPTOR_TS5 costs 90.839 real_cost = 78.280 RAPTOR_TS4-scwrl costs 72.800 real_cost = 81.026 RAPTOR_TS4 costs 72.800 real_cost = 81.817 RAPTOR_TS3-scwrl costs 76.612 real_cost = 1.821 RAPTOR_TS3 costs 76.612 real_cost = 8.284 RAPTOR_TS2-scwrl costs 89.372 real_cost = 44.206 RAPTOR_TS2 costs 89.372 real_cost = 45.234 RAPTOR_TS1-scwrl costs 73.609 real_cost = 10.562 RAPTOR_TS1 costs 73.609 real_cost = 14.306 RAPTORESS_TS5-scwrl costs 95.264 real_cost = 34.878 RAPTORESS_TS5 costs 95.264 real_cost = 37.102 RAPTORESS_TS4-scwrl costs 72.932 real_cost = 49.142 RAPTORESS_TS4 costs 72.932 real_cost = 56.735 RAPTORESS_TS3-scwrl costs 102.094 real_cost = 87.406 RAPTORESS_TS3 costs 102.094 real_cost = 87.780 RAPTORESS_TS2-scwrl costs 79.638 real_cost = 108.584 RAPTORESS_TS2 costs 79.638 real_cost = 105.508 RAPTORESS_TS1-scwrl costs 85.588 real_cost = 42.092 RAPTORESS_TS1 costs 85.588 real_cost = 48.622 RAPTOR-ACE_TS5-scwrl costs 83.205 real_cost = 3.884 RAPTOR-ACE_TS5 costs 83.205 real_cost = 10.745 RAPTOR-ACE_TS4-scwrl costs 70.881 real_cost = -6.515 RAPTOR-ACE_TS4 costs 70.881 real_cost = -0.414 RAPTOR-ACE_TS3-scwrl costs 55.363 real_cost = -48.941 RAPTOR-ACE_TS3 costs 55.363 real_cost = -49.192 RAPTOR-ACE_TS2-scwrl costs 64.976 real_cost = -7.620 RAPTOR-ACE_TS2 costs 64.976 real_cost = -14.586 RAPTOR-ACE_TS1-scwrl costs 88.607 real_cost = 64.180 RAPTOR-ACE_TS1 costs 88.607 real_cost = 52.170 Pmodeller6_TS5-scwrl costs 55.684 real_cost = 70.691 Pmodeller6_TS5 costs 55.684 real_cost = 70.691 Pmodeller6_TS4-scwrl costs 54.739 real_cost = 45.765 Pmodeller6_TS4 costs 54.739 real_cost = 46.980 Pmodeller6_TS3-scwrl costs 27.432 real_cost = -110.550 Pmodeller6_TS3 costs 27.432 real_cost = -112.596 Pmodeller6_TS2-scwrl costs 32.341 real_cost = -121.814 Pmodeller6_TS2 costs 32.341 real_cost = -109.122 Pmodeller6_TS1-scwrl costs 48.194 real_cost = -21.362 Pmodeller6_TS1 costs 48.145 real_cost = -14.721 Phyre-2_TS5-scwrl costs 68.528 real_cost = -172.952 Phyre-2_TS5 costs 68.528 real_cost = -175.213 Phyre-2_TS4-scwrl costs 57.399 real_cost = -84.805 Phyre-2_TS4 costs 57.399 real_cost = -82.998 Phyre-2_TS3-scwrl costs 50.861 real_cost = -104.767 Phyre-2_TS3 costs 50.861 real_cost = -96.281 Phyre-2_TS2-scwrl costs 79.582 real_cost = -119.278 Phyre-2_TS2 costs 79.582 real_cost = -118.490 Phyre-2_TS1-scwrl costs 65.942 real_cost = -91.337 Phyre-2_TS1 costs 65.942 real_cost = -98.129 Phyre-1_TS1-scwrl costs 106.618 real_cost = 146.474 Phyre-1_TS1 costs 106.603 real_cost = 125.506 Pcons6_TS5-scwrl costs 32.341 real_cost = -121.814 Pcons6_TS5 costs 32.341 real_cost = -109.122 Pcons6_TS4-scwrl costs 88.473 real_cost = 34.354 Pcons6_TS4 costs 88.473 real_cost = 34.354 Pcons6_TS3-scwrl costs 24.095 real_cost = -99.741 Pcons6_TS3 costs 24.095 real_cost = -103.358 Pcons6_TS2-scwrl costs 48.182 real_cost = -67.948 Pcons6_TS2 costs 48.243 real_cost = -69.098 Pcons6_TS1-scwrl costs 36.829 real_cost = -175.106 Pcons6_TS1 costs 36.829 real_cost = -170.644 PROTINFO_TS5-scwrl costs 71.302 real_cost = 49.725 PROTINFO_TS5 costs 71.302 real_cost = 59.076 PROTINFO_TS4-scwrl costs 58.064 real_cost = -48.954 PROTINFO_TS4 costs 58.083 real_cost = -33.539 PROTINFO_TS3-scwrl costs 63.302 real_cost = 9.147 PROTINFO_TS3 costs 63.302 real_cost = 11.588 PROTINFO_TS2-scwrl costs 30.364 real_cost = -72.264 PROTINFO_TS2 costs 30.364 real_cost = -66.157 PROTINFO_TS1-scwrl costs 33.599 real_cost = -33.450 PROTINFO_TS1 costs 33.599 real_cost = -36.063 PROTINFO-AB_TS5-scwrl costs 59.326 real_cost = -43.210 PROTINFO-AB_TS5 costs 59.326 real_cost = -16.144 PROTINFO-AB_TS4-scwrl costs 37.626 real_cost = -81.696 PROTINFO-AB_TS4 costs 37.633 real_cost = -87.532 PROTINFO-AB_TS3-scwrl costs 30.364 real_cost = -72.264 PROTINFO-AB_TS3 costs 30.364 real_cost = -66.157 PROTINFO-AB_TS2-scwrl costs 30.667 real_cost = -88.805 PROTINFO-AB_TS2 costs 30.667 real_cost = -82.448 PROTINFO-AB_TS1-scwrl costs 29.493 real_cost = -111.342 PROTINFO-AB_TS1 costs 29.493 real_cost = -100.376 POMYSL_TS5-scwrl costs 178.020 real_cost = 136.558 POMYSL_TS5 costs 178.020 real_cost = 155.358 POMYSL_TS4-scwrl costs 186.866 real_cost = 223.904 POMYSL_TS4 costs 186.866 real_cost = 223.110 POMYSL_TS3-scwrl costs 161.898 real_cost = 109.035 POMYSL_TS3 costs 161.898 real_cost = 101.907 POMYSL_TS2-scwrl costs 171.600 real_cost = 40.575 POMYSL_TS2 costs 171.600 real_cost = 81.834 POMYSL_TS1-scwrl costs 143.550 real_cost = 167.683 POMYSL_TS1 costs 143.550 real_cost = 156.422 NN_PUT_lab_TS1-scwrl costs 77.866 real_cost = 132.947 NN_PUT_lab_TS1 costs 77.866 real_cost = 165.969 MetaTasser_TS5-scwrl costs 71.132 real_cost = -29.197 MetaTasser_TS5 costs 71.132 real_cost = -28.344 MetaTasser_TS4-scwrl costs 87.288 real_cost = 15.325 MetaTasser_TS4 costs 87.288 real_cost = 14.057 MetaTasser_TS3-scwrl costs 88.606 real_cost = -4.929 MetaTasser_TS3 costs 88.606 real_cost = -2.208 MetaTasser_TS2-scwrl costs 65.355 real_cost = 10.647 MetaTasser_TS2 costs 65.355 real_cost = 32.818 MetaTasser_TS1-scwrl costs 65.460 real_cost = -26.993 MetaTasser_TS1 costs 65.460 real_cost = -31.512 Ma-OPUS-server_TS5-scwrl costs 77.182 real_cost = 104.099 Ma-OPUS-server_TS5 costs 77.182 real_cost = 102.411 Ma-OPUS-server_TS4-scwrl costs 77.312 real_cost = 60.489 Ma-OPUS-server_TS4 costs 77.312 real_cost = 63.976 Ma-OPUS-server_TS3-scwrl costs 81.272 real_cost = 56.064 Ma-OPUS-server_TS3 costs 81.272 real_cost = 48.564 Ma-OPUS-server_TS2-scwrl costs 84.387 real_cost = 81.185 Ma-OPUS-server_TS2 costs 84.387 real_cost = 85.901 Ma-OPUS-server_TS1-scwrl costs 79.107 real_cost = 38.162 Ma-OPUS-server_TS1 costs 79.107 real_cost = 35.761 Ma-OPUS-server2_TS5-scwrl costs 70.441 real_cost = 116.399 Ma-OPUS-server2_TS5 costs 70.441 real_cost = 110.423 Ma-OPUS-server2_TS4-scwrl costs 92.165 real_cost = 97.857 Ma-OPUS-server2_TS4 costs 92.176 real_cost = 97.032 Ma-OPUS-server2_TS3-scwrl costs 79.900 real_cost = 145.576 Ma-OPUS-server2_TS3 costs 79.900 real_cost = 152.388 Ma-OPUS-server2_TS2-scwrl costs 61.542 real_cost = 83.239 Ma-OPUS-server2_TS2 costs 61.542 real_cost = 81.110 Ma-OPUS-server2_TS1-scwrl costs 77.520 real_cost = 92.719 Ma-OPUS-server2_TS1 costs 77.520 real_cost = 86.175 LOOPP_TS5-scwrl costs 49.537 real_cost = -22.562 LOOPP_TS5 costs 49.495 real_cost = -32.408 LOOPP_TS4-scwrl costs 69.312 real_cost = 86.827 LOOPP_TS4 costs 69.329 real_cost = 89.083 LOOPP_TS3-scwrl costs 86.135 real_cost = 80.660 LOOPP_TS3 costs 86.108 real_cost = 76.361 LOOPP_TS2-scwrl costs 96.142 real_cost = 106.678 LOOPP_TS2 costs 96.142 real_cost = 113.991 LOOPP_TS1-scwrl costs 94.316 real_cost = 37.718 LOOPP_TS1 costs 94.316 real_cost = 35.269 Huber-Torda-Server_TS5-scwrl costs 139.555 real_cost = 809.266 Huber-Torda-Server_TS5 costs 139.548 real_cost = 812.266 Huber-Torda-Server_TS4-scwrl costs 139.457 real_cost = 809.266 Huber-Torda-Server_TS4 costs 139.562 real_cost = 812.266 Huber-Torda-Server_TS3-scwrl costs 137.319 real_cost = 809.266 Huber-Torda-Server_TS3 costs 137.312 real_cost = 812.266 Huber-Torda-Server_TS2-scwrl costs 139.088 real_cost = 809.266 Huber-Torda-Server_TS2 costs 139.100 real_cost = 812.266 Huber-Torda-Server_TS1-scwrl costs 139.388 real_cost = 809.266 Huber-Torda-Server_TS1 costs 139.493 real_cost = 812.266 HHpred3_TS1-scwrl costs 108.214 real_cost = -125.941 HHpred3_TS1 costs 108.214 real_cost = -118.072 HHpred2_TS1-scwrl costs 108.214 real_cost = -125.941 HHpred2_TS1 costs 108.214 real_cost = -118.072 HHpred1_TS1-scwrl costs 108.214 real_cost = -125.941 HHpred1_TS1 costs 108.214 real_cost = -118.072 GeneSilicoMetaServer_TS5-scwrl costs 81.656 real_cost = 10.884 GeneSilicoMetaServer_TS5 costs 81.656 real_cost = 10.845 GeneSilicoMetaServer_TS4-scwrl costs 55.481 real_cost = 48.940 GeneSilicoMetaServer_TS4 costs 55.481 real_cost = 40.679 GeneSilicoMetaServer_TS3-scwrl costs 83.475 real_cost = 65.047 GeneSilicoMetaServer_TS3 costs 83.475 real_cost = 71.533 GeneSilicoMetaServer_TS2-scwrl costs 69.773 real_cost = -1.562 GeneSilicoMetaServer_TS2 costs 69.773 real_cost = 3.665 GeneSilicoMetaServer_TS1-scwrl costs 76.282 real_cost = 62.504 GeneSilicoMetaServer_TS1 costs 76.282 real_cost = 63.112 Frankenstein_TS4-scwrl costs 160.528 real_cost = 219.993 Frankenstein_TS4 costs 160.528 real_cost = 219.432 Frankenstein_TS3-scwrl costs 105.316 real_cost = 194.937 Frankenstein_TS3 costs 105.316 real_cost = 200.046 Frankenstein_TS2-scwrl costs 89.797 real_cost = 57.933 Frankenstein_TS2 costs 89.797 real_cost = 56.924 Frankenstein_TS1-scwrl costs 171.482 real_cost = 200.335 Frankenstein_TS1 costs 171.482 real_cost = 203.749 FUNCTION_TS5-scwrl costs 74.133 real_cost = 77.223 FUNCTION_TS5 costs 74.133 real_cost = 89.407 FUNCTION_TS4-scwrl costs 54.647 real_cost = 73.297 FUNCTION_TS4 costs 54.647 real_cost = 74.558 FUNCTION_TS3-scwrl costs 44.198 real_cost = -61.541 FUNCTION_TS3 costs 44.198 real_cost = -51.074 FUNCTION_TS2-scwrl costs 93.283 real_cost = 43.320 FUNCTION_TS2 costs 93.283 real_cost = 40.849 FUNCTION_TS1-scwrl costs 89.553 real_cost = 25.761 FUNCTION_TS1 costs 89.553 real_cost = 27.409 FUGUE_AL5-scwrl costs 85.824 real_cost = 138.668 FUGUE_AL5 costs 85.824 real_cost = 194.050 FUGUE_AL4-scwrl costs 146.374 real_cost = 408.422 FUGUE_AL4 costs 146.374 real_cost = 408.422 FUGUE_AL3-scwrl costs 89.329 real_cost = 107.039 FUGUE_AL3 costs 89.329 real_cost = 97.001 FUGUE_AL2-scwrl costs 200.010 real_cost = 346.733 FUGUE_AL2 costs 200.010 real_cost = 346.733 FUGUE_AL1-scwrl costs 149.203 real_cost = 380.863 FUGUE_AL1 costs 149.203 real_cost = 380.863 FUGMOD_TS5-scwrl costs 66.351 real_cost = 119.411 FUGMOD_TS5 costs 66.351 real_cost = 116.199 FUGMOD_TS4-scwrl costs 145.557 real_cost = 274.896 FUGMOD_TS4 costs 145.557 real_cost = 274.609 FUGMOD_TS3-scwrl costs 101.348 real_cost = 71.707 FUGMOD_TS3 costs 101.348 real_cost = 68.553 FUGMOD_TS2-scwrl costs 191.984 real_cost = 283.541 FUGMOD_TS2 costs 191.984 real_cost = 283.851 FUGMOD_TS1-scwrl costs 144.940 real_cost = 312.570 FUGMOD_TS1 costs 144.940 real_cost = 312.414 FPSOLVER-SERVER_TS5-scwrl costs 158.438 real_cost = 209.514 FPSOLVER-SERVER_TS5 costs 158.438 real_cost = 222.323 FPSOLVER-SERVER_TS4-scwrl costs 160.884 real_cost = 178.517 FPSOLVER-SERVER_TS4 costs 160.884 real_cost = 179.693 FPSOLVER-SERVER_TS3-scwrl costs 162.511 real_cost = 245.768 FPSOLVER-SERVER_TS3 costs 162.511 real_cost = 248.887 FPSOLVER-SERVER_TS2-scwrl costs 146.384 real_cost = 152.211 FPSOLVER-SERVER_TS2 costs 146.384 real_cost = 164.328 FPSOLVER-SERVER_TS1-scwrl costs 160.545 real_cost = 112.615 FPSOLVER-SERVER_TS1 costs 160.545 real_cost = 144.747 FORTE2_AL5-scwrl costs 94.103 real_cost = 52.249 FORTE2_AL5 costs 94.030 real_cost = 105.177 FORTE2_AL4-scwrl costs 81.218 real_cost = 168.534 FORTE2_AL4 costs 81.170 real_cost = 197.817 FORTE2_AL3-scwrl costs 93.206 real_cost = 156.129 FORTE2_AL3 costs 93.206 real_cost = 218.773 FORTE2_AL2-scwrl costs 121.953 real_cost = 108.405 FORTE2_AL2 costs 121.953 real_cost = 177.018 FORTE2_AL1-scwrl costs 79.113 real_cost = -14.200 FORTE2_AL1 costs 79.170 real_cost = 11.074 FORTE1_AL5-scwrl costs 94.103 real_cost = 52.249 FORTE1_AL5 costs 94.030 real_cost = 105.177 FORTE1_AL4-scwrl costs 81.218 real_cost = 168.534 FORTE1_AL4 costs 81.170 real_cost = 197.817 FORTE1_AL3-scwrl costs 93.206 real_cost = 156.129 FORTE1_AL3 costs 93.206 real_cost = 218.773 FORTE1_AL2-scwrl costs 121.953 real_cost = 108.405 FORTE1_AL2 costs 121.953 real_cost = 177.018 FORTE1_AL1-scwrl costs 79.113 real_cost = -14.200 FORTE1_AL1 costs 79.170 real_cost = 11.074 FOLDpro_TS5-scwrl costs 135.819 real_cost = 157.242 FOLDpro_TS5 costs 135.819 real_cost = 145.571 FOLDpro_TS4-scwrl costs 94.527 real_cost = 79.268 FOLDpro_TS4 costs 94.527 real_cost = 81.906 FOLDpro_TS3-scwrl costs 123.041 real_cost = 198.012 FOLDpro_TS3 costs 123.041 real_cost = 206.396 FOLDpro_TS2-scwrl costs 107.298 real_cost = 104.437 FOLDpro_TS2 costs 107.298 real_cost = 112.659 FOLDpro_TS1-scwrl costs 77.971 real_cost = 55.076 FOLDpro_TS1 costs 77.971 real_cost = 42.897 FAMS_TS5-scwrl costs 49.027 real_cost = -64.520 FAMS_TS5 costs 49.027 real_cost = -40.469 FAMS_TS4-scwrl costs 44.616 real_cost = -19.710 FAMS_TS4 costs 44.616 real_cost = 4.367 FAMS_TS3-scwrl costs 43.375 real_cost = -45.417 FAMS_TS3 costs 43.375 real_cost = -18.028 FAMS_TS2-scwrl costs 47.007 real_cost = -18.561 FAMS_TS2 costs 47.007 real_cost = -12.214 FAMS_TS1-scwrl costs 53.602 real_cost = 71.581 FAMS_TS1 costs 53.602 real_cost = 83.738 FAMSD_TS5-scwrl costs 94.423 real_cost = 58.401 FAMSD_TS5 costs 94.415 real_cost = 65.171 FAMSD_TS4-scwrl costs 61.179 real_cost = 71.720 FAMSD_TS4 costs 61.179 real_cost = 70.917 FAMSD_TS3-scwrl costs 79.759 real_cost = 60.320 FAMSD_TS3 costs 79.759 real_cost = 65.729 FAMSD_TS2-scwrl costs 90.148 real_cost = 50.575 FAMSD_TS2 costs 90.143 real_cost = 52.486 FAMSD_TS1-scwrl costs 74.405 real_cost = 85.187 FAMSD_TS1 costs 74.405 real_cost = 88.191 Distill_TS5-scwrl costs 256.597 real_cost = 142.328 Distill_TS4-scwrl costs 251.931 real_cost = 142.031 Distill_TS3-scwrl costs 257.097 real_cost = 139.378 Distill_TS2-scwrl costs 253.385 real_cost = 148.742 Distill_TS1-scwrl costs 255.992 real_cost = 133.296 CaspIta-FOX_TS5-scwrl costs 95.010 real_cost = 96.874 CaspIta-FOX_TS5 costs 95.010 real_cost = 96.911 CaspIta-FOX_TS4-scwrl costs 130.837 real_cost = 231.645 CaspIta-FOX_TS4 costs 130.875 real_cost = 219.796 CaspIta-FOX_TS3-scwrl costs 69.542 real_cost = 47.186 CaspIta-FOX_TS3 costs 69.542 real_cost = 58.096 CaspIta-FOX_TS2-scwrl costs 86.601 real_cost = 159.789 CaspIta-FOX_TS2 costs 86.776 real_cost = 157.189 CaspIta-FOX_TS1-scwrl costs 85.725 real_cost = 158.593 CaspIta-FOX_TS1 costs 85.725 real_cost = 158.583 CIRCLE_TS5-scwrl costs 69.296 real_cost = -31.332 CIRCLE_TS5 costs 69.253 real_cost = -22.864 CIRCLE_TS4-scwrl costs 53.121 real_cost = -38.036 CIRCLE_TS4 costs 53.121 real_cost = -38.452 CIRCLE_TS3-scwrl costs 68.576 real_cost = 2.736 CIRCLE_TS3 costs 68.576 real_cost = 7.490 CIRCLE_TS2-scwrl costs 70.351 real_cost = 2.408 CIRCLE_TS2 costs 70.351 real_cost = 2.024 CIRCLE_TS1-scwrl costs 62.894 real_cost = -161.381 CIRCLE_TS1 costs 62.894 real_cost = -159.697 Bilab-ENABLE_TS1-scwrl costs 195.335 real_cost = 282.714 Bilab-ENABLE_TS1 costs 195.335 real_cost = 282.714 BayesHH_TS1-scwrl costs 108.214 real_cost = -125.941 BayesHH_TS1 costs 108.214 real_cost = -118.072 ABIpro_TS5-scwrl costs 35.950 real_cost = -113.648 ABIpro_TS5 costs 35.950 real_cost = -114.330 ABIpro_TS4-scwrl costs 54.334 real_cost = -89.905 ABIpro_TS4 costs 54.334 real_cost = -89.905 ABIpro_TS3-scwrl costs 41.837 real_cost = -111.785 ABIpro_TS3 costs 41.837 real_cost = -110.982 ABIpro_TS2-scwrl costs 49.565 real_cost = -95.896 ABIpro_TS2 costs 49.565 real_cost = -95.987 ABIpro_TS1-scwrl costs 51.782 real_cost = -55.301 ABIpro_TS1 costs 51.782 real_cost = -55.301 3Dpro_TS5-scwrl costs 81.601 real_cost = -1.393 3Dpro_TS5 costs 81.601 real_cost = -9.075 3Dpro_TS4-scwrl costs 125.623 real_cost = 117.455 3Dpro_TS4 costs 125.623 real_cost = 111.126 3Dpro_TS3-scwrl costs 49.565 real_cost = -95.896 3Dpro_TS3 costs 49.565 real_cost = -95.987 3Dpro_TS2-scwrl costs 86.508 real_cost = 33.190 3Dpro_TS2 costs 86.508 real_cost = 50.635 3Dpro_TS1-scwrl costs 51.782 real_cost = -55.301 3Dpro_TS1 costs 51.782 real_cost = -55.301 3D-JIGSAW_TS2-scwrl costs 65.898 real_cost = 27.827 3D-JIGSAW_TS2 costs 65.929 real_cost = 38.862 3D-JIGSAW_TS1-scwrl costs 85.414 real_cost = 41.484 3D-JIGSAW_TS1 costs 85.450 real_cost = 50.136 3D-JIGSAW_RECOM_TS5-scwrl costs 71.742 real_cost = 45.741 3D-JIGSAW_RECOM_TS5 costs 71.772 real_cost = 53.907 3D-JIGSAW_RECOM_TS4-scwrl costs 67.994 real_cost = 31.436 3D-JIGSAW_RECOM_TS4 costs 68.029 real_cost = 43.736 3D-JIGSAW_RECOM_TS3-scwrl costs 78.697 real_cost = 53.868 3D-JIGSAW_RECOM_TS3 costs 78.732 real_cost = 54.148 3D-JIGSAW_RECOM_TS2-scwrl costs 77.262 real_cost = 60.185 3D-JIGSAW_RECOM_TS2 costs 77.296 real_cost = 56.044 3D-JIGSAW_RECOM_TS1-scwrl costs 77.262 real_cost = 59.988 3D-JIGSAW_RECOM_TS1 costs 77.296 real_cost = 64.342 3D-JIGSAW_POPULUS_TS5-scwrl costs 66.926 real_cost = 28.234 3D-JIGSAW_POPULUS_TS5 costs 66.957 real_cost = 26.434 3D-JIGSAW_POPULUS_TS4-scwrl costs 62.705 real_cost = 23.314 3D-JIGSAW_POPULUS_TS4 costs 62.736 real_cost = 21.514 3D-JIGSAW_POPULUS_TS3-scwrl costs 68.951 real_cost = 13.293 3D-JIGSAW_POPULUS_TS3 costs 68.982 real_cost = 11.493 3D-JIGSAW_POPULUS_TS2-scwrl costs 71.116 real_cost = 27.075 3D-JIGSAW_POPULUS_TS2 costs 71.146 real_cost = 25.275 3D-JIGSAW_POPULUS_TS1-scwrl costs 73.292 real_cost = 29.366 3D-JIGSAW_POPULUS_TS1 costs 73.322 real_cost = 27.566 extended-M1-H77-try7.pdb.gz costs 30.078 real_cost = -186.581 extended-M1-H77-try6.pdb.gz costs 26.240 real_cost = -175.605 extended-M1-H77-try2.pdb.gz costs 39.097 real_cost = -79.922 chimera-try8-opt2.pdb.gz costs 33.312 real_cost = -174.550 T0335.try9-opt2.repack-nonPC.pdb.gz costs 25.884 real_cost = -104.080 T0335.try9-opt2.pdb.gz costs 25.884 real_cost = -101.657 T0335.try9-opt2.gromacs0.repack-nonPC.pdb.gz costs 23.246 real_cost = -107.189 T0335.try9-opt2.gromacs0.pdb.gz costs 23.246 real_cost = -101.627 T0335.try9-opt1.pdb.gz costs 27.159 real_cost = -106.215 T0335.try9-opt1-scwrl.pdb.gz costs 27.159 real_cost = -104.107 T0335.try8-opt2.repack-nonPC.pdb.gz costs 52.078 real_cost = -90.000 T0335.try8-opt2.pdb.gz costs 52.078 real_cost = -88.435 T0335.try8-opt2.gromacs0.repack-nonPC.pdb.gz costs 45.919 real_cost = -97.688 T0335.try8-opt2.gromacs0.pdb.gz costs 45.919 real_cost = -93.107 T0335.try8-opt2-four-helix-bundle.pdb.gz costs 67.113 real_cost = -20.072 T0335.try8-opt1.pdb.gz costs 51.703 real_cost = -88.811 T0335.try8-opt1-scwrl.pdb.gz costs 51.703 real_cost = -88.102 T0335.try7-opt2.pdb.gz costs 31.130 real_cost = -172.269 T0335.try7-opt2.gromacs0.pdb.gz costs 25.570 real_cost = -169.469 T0335.try7-opt1.pdb.gz costs 32.162 real_cost = -170.921 T0335.try7-opt1-scwrl.pdb.gz costs 32.162 real_cost = -171.361 T0335.try6-opt2.pdb.gz costs 36.318 real_cost = -167.621 T0335.try6-opt2.gromacs0.repack-nonPC.pdb.gz costs 24.638 real_cost = -169.313 T0335.try6-opt2.gromacs0.pdb.gz costs 24.638 real_cost = -166.034 T0335.try6-opt1.pdb.gz costs 32.099 real_cost = -168.130 T0335.try6-opt1-scwrl.pdb.gz costs 32.099 real_cost = -166.145 T0335.try5-opt2.repack-nonPC.pdb.gz costs 25.570 real_cost = -164.451 T0335.try5-opt2.pdb.gz costs 50.501 real_cost = -175.511 T0335.try5-opt2.gromacs0.repack-nonPC.pdb.gz costs 44.836 real_cost = -176.364 T0335.try5-opt2.gromacs0.pdb.gz costs 44.836 real_cost = -171.660 T0335.try5-opt1.pdb.gz costs 51.775 real_cost = -174.668 T0335.try5-opt1-scwrl.pdb.gz costs 51.775 real_cost = -174.830 T0335.try4-opt2.repack-nonPC.pdb.gz costs 32.162 real_cost = -165.926 T0335.try4-opt2.pdb.gz costs 32.162 real_cost = -169.881 T0335.try4-opt2.gromacs0.repack-nonPC.pdb.gz costs 25.838 real_cost = -167.856 T0335.try4-opt2.gromacs0.pdb.gz costs 25.838 real_cost = -168.929 T0335.try4-opt1.pdb.gz costs 30.442 real_cost = -169.620 T0335.try4-opt1-scwrl.pdb.gz costs 30.442 real_cost = -169.898 T0335.try33-opt2.repack-nonPC.pdb.gz costs 53.866 real_cost = -51.367 T0335.try33-opt2.pdb.gz costs 53.866 real_cost = -44.274 T0335.try33-opt2.gromacs0.repack-nonPC.pdb.gz costs 51.682 real_cost = -59.797 T0335.try33-opt2.gromacs0.pdb.gz costs 51.682 real_cost = -48.926 T0335.try33-opt1.pdb.gz costs 54.725 real_cost = -41.522 T0335.try33-opt1-scwrl.pdb.gz costs 54.725 real_cost = -52.010 T0335.try32-opt2.repack-nonPC.pdb.gz costs 45.666 real_cost = -99.176 T0335.try32-opt2.pdb.gz costs 45.666 real_cost = -93.563 T0335.try32-opt2.gromacs0.repack-nonPC.pdb.gz costs 46.396 real_cost = -97.176 T0335.try32-opt2.gromacs0.pdb.gz costs 46.396 real_cost = -91.798 T0335.try32-opt1.pdb.gz costs 45.666 real_cost = -98.149 T0335.try32-opt1-scwrl.pdb.gz costs 45.666 real_cost = -96.402 T0335.try31-opt2.repack-nonPC.pdb.gz costs 50.501 real_cost = -175.426 T0335.try31-opt2.pdb.gz costs 50.501 real_cost = -171.951 T0335.try31-opt2.gromacs0.repack-nonPC.pdb.gz costs 44.836 real_cost = -175.136 T0335.try31-opt2.gromacs0.pdb.gz costs 44.836 real_cost = -169.751 T0335.try31-opt1.pdb.gz costs 48.417 real_cost = -175.052 T0335.try31-opt1-scwrl.pdb.gz costs 48.417 real_cost = -175.377 T0335.try30-opt2.repack-nonPC.pdb.gz costs 55.136 real_cost = -54.489 T0335.try30-opt2.pdb.gz costs 55.136 real_cost = -43.882 T0335.try30-opt2.gromacs0.repack-nonPC.pdb.gz costs 54.420 real_cost = -54.349 T0335.try30-opt2.gromacs0.pdb.gz costs 54.420 real_cost = -42.588 T0335.try30-opt1.pdb.gz costs 55.136 real_cost = -47.931 T0335.try30-opt1-scwrl.pdb.gz costs 55.136 real_cost = -55.580 T0335.try3-opt2.repack-nonPC.pdb.gz costs 35.277 real_cost = -168.192 T0335.try3-opt2.pdb.gz costs 35.277 real_cost = -167.876 T0335.try3-opt2.gromacs0.repack-nonPC.pdb.gz costs 24.006 real_cost = -164.959 T0335.try3-opt2.gromacs0.pdb.gz costs 24.006 real_cost = -167.113 T0335.try3-opt1.pdb.gz costs 28.848 real_cost = -171.708 T0335.try3-opt1-scwrl.pdb.gz costs 28.848 real_cost = -171.629 T0335.try29-opt2.repack-nonPC.pdb.gz costs 49.331 real_cost = -96.151 T0335.try29-opt2.pdb.gz costs 49.331 real_cost = -93.362 T0335.try29-opt2.gromacs0.repack-nonPC.pdb.gz costs 46.294 real_cost = -97.774 T0335.try29-opt2.gromacs0.pdb.gz costs 46.294 real_cost = -94.410 T0335.try29-opt1.pdb.gz costs 48.920 real_cost = -96.649 T0335.try29-opt1-scwrl.pdb.gz costs 48.920 real_cost = -95.918 T0335.try28-opt2.repack-nonPC.pdb.gz costs 35.474 real_cost = -168.446 T0335.try28-opt2.pdb.gz costs 35.474 real_cost = -165.437 T0335.try28-opt2.gromacs0.repack-nonPC.pdb.gz costs 24.210 real_cost = -168.182 T0335.try28-opt2.gromacs0.pdb.gz costs 24.210 real_cost = -168.231 T0335.try28-opt1.pdb.gz costs 34.670 real_cost = -170.323 T0335.try28-opt1-scwrl.pdb.gz costs 34.670 real_cost = -165.904 T0335.try27-opt2.repack-nonPC.pdb.gz costs 25.884 real_cost = -104.089 T0335.try27-opt2.pdb.gz costs 25.884 real_cost = -102.359 T0335.try27-opt2.gromacs0.repack-nonPC.pdb.gz costs 21.619 real_cost = -112.187 T0335.try27-opt2.gromacs0.pdb.gz costs 21.619 real_cost = -106.158 T0335.try27-opt1.pdb.gz costs 25.884 real_cost = -100.557 T0335.try27-opt1-scwrl.pdb.gz costs 25.884 real_cost = -102.331 T0335.try26-opt2.repack-nonPC.pdb.gz costs 64.615 real_cost = -28.464 T0335.try26-opt2.pdb.gz costs 64.615 real_cost = -35.603 T0335.try26-opt2.gromacs0.repack-nonPC.pdb.gz costs 58.491 real_cost = -37.386 T0335.try26-opt2.gromacs0.pdb.gz costs 58.491 real_cost = -39.471 T0335.try26-opt1.pdb.gz costs 65.489 real_cost = -31.727 T0335.try26-opt1-scwrl.pdb.gz costs 65.489 real_cost = -31.612 T0335.try25-opt2.repack-nonPC.pdb.gz costs 25.884 real_cost = -101.240 T0335.try25-opt2.pdb.gz costs 25.884 real_cost = -100.599 T0335.try25-opt2.gromacs0.repack-nonPC.pdb.gz costs 21.705 real_cost = -95.527 T0335.try25-opt2.gromacs0.pdb.gz costs 21.705 real_cost = -95.981 T0335.try25-opt1.pdb.gz costs 25.884 real_cost = -100.008 T0335.try25-opt1-scwrl.pdb.gz costs 25.884 real_cost = -102.711 T0335.try24-opt2.repack-nonPC.pdb.gz costs 64.220 real_cost = -85.321 T0335.try24-opt2.pdb.gz costs 64.220 real_cost = -69.139 T0335.try24-opt2.gromacs0.repack-nonPC.pdb.gz costs 60.877 real_cost = -78.132 T0335.try24-opt2.gromacs0.pdb.gz costs 60.877 real_cost = -65.296 T0335.try24-opt2-rotated-helix.pdb.gz costs 77.783 real_cost = -67.966 T0335.try24-opt1.pdb.gz costs 62.678 real_cost = -73.749 T0335.try24-opt1-scwrl.pdb.gz costs 62.678 real_cost = -79.126 T0335.try23-opt2.repack-nonPC.pdb.gz costs 23.937 real_cost = -170.692 T0335.try23-opt2.pdb.gz costs 23.937 real_cost = -173.376 T0335.try23-opt2.gromacs0.repack-nonPC.pdb.gz costs 23.557 real_cost = -170.227 T0335.try23-opt2.gromacs0.pdb.gz costs 23.557 real_cost = -170.216 T0335.try23-opt1.pdb.gz costs 23.937 real_cost = -173.155 T0335.try23-opt1-scwrl.pdb.gz costs 23.937 real_cost = -177.557 T0335.try22-opt2.repack-nonPC.pdb.gz costs 32.556 real_cost = -175.341 T0335.try22-opt2.pdb.gz costs 32.556 real_cost = -173.221 T0335.try22-opt2.gromacs0.repack-nonPC.pdb.gz costs 22.749 real_cost = -170.032 T0335.try22-opt2.gromacs0.pdb.gz costs 22.749 real_cost = -169.731 T0335.try22-opt1.pdb.gz costs 34.057 real_cost = -173.423 T0335.try22-opt1-scwrl.pdb.gz costs 34.057 real_cost = -173.355 T0335.try21-opt2.repack-nonPC.pdb.gz costs 34.057 real_cost = -175.035 T0335.try21-opt2.pdb.gz costs 34.057 real_cost = -175.191 T0335.try21-opt2.gromacs0.repack-nonPC.pdb.gz costs 22.665 real_cost = -169.803 T0335.try21-opt2.gromacs0.pdb.gz costs 22.665 real_cost = -171.380 T0335.try21-opt1.pdb.gz costs 33.498 real_cost = -176.387 T0335.try21-opt1-scwrl.pdb.gz costs 33.498 real_cost = -174.715 T0335.try20-opt2.repack-nonPC.pdb.gz costs 33.498 real_cost = -177.257 T0335.try20-opt2.pdb.gz costs 33.498 real_cost = -176.539 T0335.try20-opt2.gromacs0.repack-nonPC.pdb.gz costs 23.212 real_cost = -172.085 T0335.try20-opt2.gromacs0.pdb.gz costs 23.212 real_cost = -174.248 T0335.try20-opt1.pdb.gz costs 33.498 real_cost = -176.004 T0335.try20-opt1-scwrl.pdb.gz costs 33.498 real_cost = -173.911 T0335.try2-opt2.repack-nonPC.pdb.gz costs 51.775 real_cost = -173.703 T0335.try2-opt2.pdb.gz costs 51.775 real_cost = -172.360 T0335.try2-opt2.gromacs0.repack-nonPC.pdb.gz costs 44.836 real_cost = -173.527 T0335.try2-opt2.gromacs0.pdb.gz costs 44.836 real_cost = -170.937 T0335.try2-opt1.pdb.gz costs 51.037 real_cost = -173.996 T0335.try2-opt1-scwrl.pdb.gz costs 51.037 real_cost = -176.090 T0335.try19-opt2.repack-nonPC.pdb.gz costs 34.337 real_cost = -171.513 T0335.try19-opt2.pdb.gz costs 34.337 real_cost = -175.421 T0335.try19-opt2.gromacs0.repack-nonPC.pdb.gz costs 22.001 real_cost = -169.139 T0335.try19-opt2.gromacs0.pdb.gz costs 22.001 real_cost = -176.820 T0335.try19-opt1.pdb.gz costs 33.063 real_cost = -175.042 T0335.try19-opt1-scwrl.pdb.gz costs 33.063 real_cost = -174.078 T0335.try18-opt2.repack-nonPC.pdb.gz costs 35.248 real_cost = -179.591 T0335.try18-opt2.pdb.gz costs 35.248 real_cost = -177.251 T0335.try18-opt2.gromacs0.repack-nonPC.pdb.gz costs 29.451 real_cost = -179.219 T0335.try18-opt2.gromacs0.pdb.gz costs 29.451 real_cost = -181.655 T0335.try18-opt1.pdb.gz costs 35.682 real_cost = -177.893 T0335.try18-opt1-scwrl.pdb.gz costs 35.682 real_cost = -176.282 T0335.try17-opt2.repack-nonPC.pdb.gz costs 33.689 real_cost = -131.400 T0335.try17-opt2.pdb.gz costs 33.689 real_cost = -136.239 T0335.try17-opt2.gromacs0.repack-nonPC.pdb.gz costs 22.146 real_cost = -156.412 T0335.try17-opt2.gromacs0.pdb.gz costs 22.146 real_cost = -154.891 T0335.try17-opt1.pdb.gz costs 31.230 real_cost = -153.152 T0335.try17-opt1-scwrl.pdb.gz costs 31.230 real_cost = -153.767 T0335.try16-opt2.repack-nonPC.pdb.gz costs 45.322 real_cost = -145.223 T0335.try16-opt2.pdb.gz costs 45.322 real_cost = -143.165 T0335.try16-opt2.gromacs0.repack-nonPC.pdb.gz costs 35.571 real_cost = -149.624 T0335.try16-opt2.gromacs0.pdb.gz costs 35.571 real_cost = -146.532 T0335.try16-opt1.pdb.gz costs 41.820 real_cost = -144.804 T0335.try16-opt1-scwrl.pdb.gz costs 41.820 real_cost = -146.212 T0335.try14-opt2.repack-nonPC.pdb.gz costs 37.523 real_cost = -83.768 T0335.try14-opt2.pdb.gz costs 37.523 real_cost = -79.130 T0335.try14-opt2.gromacs0.repack-nonPC.pdb.gz costs 27.589 real_cost = -93.825 T0335.try14-opt2.gromacs0.pdb.gz costs 27.589 real_cost = -90.699 T0335.try14-opt1.pdb.gz costs 37.745 real_cost = -79.133 T0335.try14-opt1-scwrl.pdb.gz costs 37.745 real_cost = -77.221 T0335.try13-opt2.repack-nonPC.pdb.gz costs 26.012 real_cost = -176.572 T0335.try13-opt2.pdb.gz costs 26.012 real_cost = -174.470 T0335.try13-opt2.gromacs0.repack-nonPC.pdb.gz costs 20.929 real_cost = -174.397 T0335.try13-opt2.gromacs0.pdb.gz costs 20.929 real_cost = -167.269 T0335.try13-opt1.pdb.gz costs 24.049 real_cost = -175.410 T0335.try13-opt1-scwrl.pdb.gz costs 24.049 real_cost = -179.451 T0335.try12-opt2.repack-nonPC.pdb.gz costs 26.526 real_cost = -183.260 T0335.try12-opt2.pdb.gz costs 26.526 real_cost = -186.884 T0335.try12-opt2.gromacs0.repack-nonPC.pdb.gz costs 19.646 real_cost = -185.252 T0335.try12-opt2.gromacs0.pdb.gz costs 19.646 real_cost = -185.766 T0335.try12-opt1.pdb.gz costs 26.526 real_cost = -187.661 T0335.try12-opt1-scwrl.pdb.gz costs 26.526 real_cost = -186.911 T0335.try11-opt2.repack-nonPC.pdb.gz costs 28.681 real_cost = -136.638 T0335.try11-opt2.pdb.gz costs 28.681 real_cost = -136.082 T0335.try11-opt2.gromacs0.repack-nonPC.pdb.gz costs 21.579 real_cost = -138.973 T0335.try11-opt2.gromacs0.pdb.gz costs 21.579 real_cost = -135.828 T0335.try11-opt1.pdb.gz costs 28.681 real_cost = -138.923 T0335.try11-opt1-scwrl.pdb.gz costs 28.681 real_cost = -139.599 T0335.try10-opt2.repack-nonPC.pdb.gz costs 29.186 real_cost = -109.432 T0335.try10-opt2.pdb.gz costs 29.186 real_cost = -105.211 T0335.try10-opt2.gromacs0.repack-nonPC.pdb.gz costs 22.107 real_cost = -107.817 T0335.try10-opt2.gromacs0.pdb.gz costs 22.107 real_cost = -105.445 T0335.try10-opt1.pdb.gz costs 27.519 real_cost = -99.518 T0335.try10-opt1-scwrl.pdb.gz costs 27.519 real_cost = -101.783 T0335.try1-opt2.repack-nonPC.pdb.gz costs 51.309 real_cost = -180.865 T0335.try1-opt2.pdb.gz costs 51.309 real_cost = -181.744 T0335.try1-opt2.gromacs0.repack-nonPC.pdb.gz costs 44.851 real_cost = -179.771 T0335.try1-opt2.gromacs0.pdb.gz costs 44.851 real_cost = -178.602 T0335.try1-opt1.pdb.gz costs 47.061 real_cost = -180.472 T0335.try1-opt1-scwrl.pdb.gz costs 47.061 real_cost = -180.548 ../model5.ts-submitted costs 46.294 real_cost = -97.768 ../model4.ts-submitted costs 55.501 real_cost = -44.268 ../model3.ts-submitted costs 25.884 real_cost = -100.590 ../model2.ts-submitted costs 36.318 real_cost = -167.994 ../model1.ts-submitted costs 34.057 real_cost = -175.110 align5 costs 90.571 real_cost = 122.834 align4 costs 107.470 real_cost = 163.661 align3 costs 137.395 real_cost = 801.666 align2 costs 97.718 real_cost = 140.371 align1 costs 101.551 real_cost = -20.323 T0335.try1-opt2.pdb costs 51.309 real_cost = -181.717 model5-scwrl costs 46.294 real_cost = -95.459 model5.ts-submitted costs 46.294 real_cost = -97.768 model4-scwrl costs 55.501 real_cost = -55.736 model4.ts-submitted costs 55.501 real_cost = -44.268 model3-scwrl costs 25.884 real_cost = -103.358 model3.ts-submitted costs 25.884 real_cost = -100.590 model2-scwrl costs 36.318 real_cost = -166.527 model2.ts-submitted costs 36.318 real_cost = -167.994 model1-scwrl costs 34.057 real_cost = -175.057 model1.ts-submitted costs 34.057 real_cost = -175.192 2hepA costs 80.915 real_cost = -816.662 # command:CPU_time= 72.137 sec, elapsed time= 264.608 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/T0335'