make[1]: Entering directory `/projects/compbio/experiments/protein-predict/casp7/T0348' /projects/compbio/experiments/protein-predict/casp7/starter-directory/Make.main:725: SECONDARY_TARGET = T0348.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/T0348.} ;\ 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/T0348/ -e s/START_COL/1/ \ -e s/COSTFCN/anglevector/ \ -e s/_domain// \ -e s/read-pdb/read-pdb+servers/ \ -e s/REAL_PDB/2hf1A/ \ < /projects/compbio/experiments/protein-predict/casp7/starter-directory/evaluate.under \ | nice -2 /cse/grads/jarchie/projects/cvs/karplus/undertaker/undertaker # command:# Seed set to 1182611515 # command:# Prefix for input files set to /projects/compbio/experiments/undertaker/atoms-inputs/ # command:# reading monomeric-50pc.atoms # #computed average backbone with maximum peptide_sq_deviance = 0.002 # computed average trans backbone unit from 8101 examples # computed average cis backbone unit from 20 examples # computed average trans backbone unit before proline from 332 examples # trans (non-proline) backbone unit: # CA= -2.2101 1.0129 -0.0033 # O= -0.1508 2.2440 0.0016 # C= -0.6897 1.1364 -0.0000 # N+1= 0.0000 0.0000 0.0000 # CA+1= 1.4583 -0.0000 -0.0000 # cis backbone unit: # CA= -0.1438 2.4522 0.0007 # O= -2.0283 0.9702 0.0005 # C= -0.8017 1.0759 0.0000 # N+1= 0.0000 0.0000 0.0000 # CA+1= 1.4664 -0.0000 0.0000 # trans backbone unit before proline: # CA= -2.2110 1.0636 -0.0014 # O= -0.1234 2.2469 0.0075 # C= -0.6877 1.1518 0.0000 # N+1= 0.0000 0.0000 0.0000 # CA+1= 1.4665 0.0000 0.0000 # After reading monomeric-50pc.atoms have 448 chains in training database # Count of chains,residues,atoms: 448,112605,876684 # 111048 residues have no bad marker # 665 residues lack atoms needed to compute omega # 322 residues have cis peptide # number of each bad type: # NON_STANDARD_RESIDUE 6 # HAS_OXT 325 # TOO_MANY_ATOMS 1 # TOO_FEW_ATOMS 523 # HAS_UNKNOWN_ATOMS 2 # HAS_DUPLICATE_ATOMS 0 # CHAIN_BREAK_BEFORE 208 # NON_PLANAR_PEPTIDE 143 # BAD_PEPTIDE 685 # Note: may sum to more than number of residues, # because one residue may have multiple problems # command:# Reading rotamer library from dunbrack-1332.rot # command:# Prefix for input files set to /projects/compbio/experiments/undertaker/spots/ # command:# ReadAtomType exp-pdb.types Read AtomType exp-pdb with 49 types. # command:# ReadClashTable exp-pdb-2191-2symm.clash # Read ClashTable exp-pdb-2191-2symm checking bonds symmetric at MaxSep 2 # command:# command:CPU_time= 9.308 sec, elapsed time= 18.974 sec. # command:# Reading spots from monomeric-50pc-dry-5.spot Read prototypes from /projects/compbio/experiments/undertaker/spots/../normalize_prototypes/prototypes # reading histogram from smoothed-monomeric-50pc-dry-5.hist # created burial cost function dry5 with radius 5.000 with spots at monomeric-50pc-dry-5.spot # command:# Reading spots from monomeric-50pc-wet-6.5.spot Read prototypes from /projects/compbio/experiments/undertaker/spots/../normalize_prototypes/prototypes # reading histogram from smoothed-monomeric-50pc-wet-6.5.hist # created burial cost function wet6.5 with radius 6.500 with spots at monomeric-50pc-wet-6.5.spot # command:# Reading spots from monomeric-50pc-dry-6.5.spot Read prototypes from /projects/compbio/experiments/undertaker/spots/../normalize_prototypes/prototypes # reading histogram from smoothed-monomeric-50pc-dry-6.5.hist # created burial cost function dry6.5 with radius 6.500 with spots at monomeric-50pc-dry-6.5.spot # command:# Reading spots from monomeric-50pc-generic-6.5.spot Read prototypes from /projects/compbio/experiments/undertaker/spots/../normalize_prototypes/prototypes # reading histogram from smoothed-monomeric-50pc-generic-6.5.hist # created burial cost function gen6.5 with radius 6.500 with spots at monomeric-50pc-generic-6.5.spot # command:# Reading spots from near-backbone-center.spot # reading histogram from smoothed-near-backbone-2spot.hist # Reading spots from near-backbone-count.spot # created burial cost function near_backbone with radius 9.650 with spots at near-backbone-center.spot counting only near-backbone-count.spot # command:# Reading spots from way-back-center.spot # reading histogram from smoothed-way-back-2spot.hist # Reading spots from way-back-count.spot # created burial cost function way_back with radius 8.900 with spots at way-back-center.spot counting only way-back-count.spot # command:# Reading spots from monomeric-50pc-dry-8.spot Read prototypes from /projects/compbio/experiments/undertaker/spots/../normalize_prototypes/prototypes # reading histogram from smoothed-monomeric-50pc-dry-8.hist # created burial cost function dry8 with radius 8.000 with spots at monomeric-50pc-dry-8.spot # command:# Reading spots from monomeric-50pc-dry-10.spot Read prototypes from /projects/compbio/experiments/undertaker/spots/../normalize_prototypes/prototypes # reading histogram from smoothed-monomeric-50pc-dry-10.hist # created burial cost function dry10 with radius 10.000 with spots at monomeric-50pc-dry-10.spot # command:# Reading spots from monomeric-50pc-dry-12.spot Read prototypes from /projects/compbio/experiments/undertaker/spots/../normalize_prototypes/prototypes # reading histogram from smoothed-monomeric-50pc-dry-12.hist # created burial cost function dry12 with radius 12.000 with spots at monomeric-50pc-dry-12.spot # command:# reading histogram from dunbrack-2191-alpha.hist # created alpha cost function alpha with offset 0 and 360 bins # command:# reading histogram from dunbrack-2191-alpha-1.hist # created alpha cost function alpha_prev with offset -1 and 360 bins # command:# Prefix for input files set to /projects/compbio/lib/alphabet/ # command:# Read 3 alphabets from alpha.alphabet # command:CPU_time= 9.424 sec, elapsed time= 19.286 sec. # command:# Prefix for input files set to # command:# Making conformation for sequence T0348 numbered 1 through 68 Created new target T0348 from T0348.a2m # command:# command:# No conformations to remove in PopConform # command:# cleared Id set # command:# command:2hf1A expands to /projects/compbio/data/pdb/2hf1.pdb.gz 2hf1A:Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Read 61 residues and 465 atoms. # WARNING: incomplete conformation T0348 can't currently be optimized by undertaker # command:# Saving current conformation as real # command:# Prefix for output files set to decoys/ # command:# SetRealCost created real_cost = # ( 50.000 * real_hbond + 50.000 * real_hbond_u + 50.000 * decoy_hbond + 50.000 * decoy_hbond_u + 10.000 * real_NO_hbond + 10.000 * real_NO_hbond_u + 10.000 * decoy_NO_hbond + 10.000 * decoy_NO_hbond_u + 10.000 * knot + 200.000 * clens + 0.000 * rmsd + 35.000 * log_rmsd + 0.000 * rmsd_ca + 30.000 * log_rmsd_ca + 1.000 * GDT + 1.000 * smooth_GDT + 0.200 * missing_atoms ) # command:# SetCost created cost = # ) # command:# reading script from file anglevector.costfcn # Prefix for input files set to /projects/compbio/lib/alphabet/ # Read 2 alphabets from anglevector.alphabet # Prefix for input files set to # CreateCombinedNNet created CombinedNNet bys_t2k # CreateCombinedNNet created CombinedNNet bys_t04 # CreateCombinedNNet created CombinedNNet bys_t06 # CreateCombinedNNet created CombinedNNet bys_mean # created predicted AngleVectorPredCostFcn pred_bys_t2k # created predicted AngleVectorPredCostFcn pred_bys_t04 # created predicted AngleVectorPredCostFcn pred_bys_t06 # created predicted AngleVectorPredCostFcn pred_bys_mean # CreateCombinedNNet created CombinedNNet pb_t2k # CreateCombinedNNet created CombinedNNet pb_t04 # CreateCombinedNNet created CombinedNNet pb_t06 # CreateCombinedNNet created CombinedNNet pb_mean # created predicted AngleVectorPredCostFcn pred_pb_t2k # created predicted AngleVectorPredCostFcn pred_pb_t04 # created predicted AngleVectorPredCostFcn pred_pb_t06 # created predicted AngleVectorPredCostFcn pred_pb_mean # SetCost created cost = # ( 5.000 * bystroff + 5.000 * pred_bys_t2k + 5.000 * pred_bys_t04 + 5.000 * pred_bys_t06 + 5.000 * pred_bys_mean + 5.000 * pred_pb_t2k + 5.000 * pred_pb_t04 + 5.000 * pred_pb_t06 + 5.000 * pred_pb_mean ) # command:CPU_time= 13.463 sec, elapsed time= 27.668 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 32 # 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 = -58.197 # GDT_score(maxd=8.000,maxw=2.900)= -58.147 # GDT_score(maxd=8.000,maxw=3.200)= -56.852 # GDT_score(maxd=8.000,maxw=3.500)= -55.343 # GDT_score(maxd=10.000,maxw=3.800)= -57.160 # GDT_score(maxd=10.000,maxw=4.000)= -56.115 # GDT_score(maxd=10.000,maxw=4.200)= -55.082 # GDT_score(maxd=12.000,maxw=4.300)= -57.392 # GDT_score(maxd=12.000,maxw=4.500)= -56.366 # GDT_score(maxd=12.000,maxw=4.700)= -55.287 # GDT_score(maxd=14.000,maxw=5.200)= -54.767 # GDT_score(maxd=14.000,maxw=5.500)= -53.004 # command:# Prefix for output files set to # command:Warning: Couldn't open file T0348.model1-real.pdb for output Error: Couldn't open file T0348.model1-real.pdb for output superimposing iter= 0 total_weight= 709 rmsd (weighted)= 12.2583 (unweighted)= 29.8921 superimposing iter= 1 total_weight= 1271.23 rmsd (weighted)= 6.58251 (unweighted)= 30.1048 superimposing iter= 2 total_weight= 916.652 rmsd (weighted)= 3.94354 (unweighted)= 30.4747 superimposing iter= 3 total_weight= 1141.36 rmsd (weighted)= 2.13013 (unweighted)= 30.7232 superimposing iter= 4 total_weight= 1212.14 rmsd (weighted)= 1.19497 (unweighted)= 30.7956 superimposing iter= 5 total_weight= 934.449 rmsd (weighted)= 0.800862 (unweighted)= 30.8504 EXPDTA model1.ts-submitted MODEL 1 REMARK 44 REMARK 44 model 1 is called model1.ts-submitted ATOM 1 N MET A 1 5.448 41.984 49.151 1.00 0.00 ATOM 2 CA MET A 1 5.001 42.688 50.385 1.00 0.00 ATOM 3 CB MET A 1 3.577 42.248 50.747 1.00 0.00 ATOM 4 CG MET A 1 2.988 42.937 51.969 1.00 0.00 ATOM 5 SD MET A 1 1.371 42.263 52.451 1.00 0.00 ATOM 6 CE MET A 1 0.328 42.972 51.221 1.00 0.00 ATOM 7 O MET A 1 6.347 41.206 51.700 1.00 0.00 ATOM 8 C MET A 1 5.962 42.361 51.521 1.00 0.00 ATOM 9 N ASP A 2 6.269 43.369 52.330 1.00 0.00 ATOM 10 CA ASP A 2 7.161 43.176 53.485 1.00 0.00 ATOM 11 CB ASP A 2 7.535 44.522 54.107 1.00 0.00 ATOM 12 CG ASP A 2 8.524 45.341 53.289 1.00 0.00 ATOM 13 OD1 ASP A 2 9.102 44.797 52.376 1.00 0.00 ATOM 14 OD2 ASP A 2 8.578 46.533 53.476 1.00 0.00 ATOM 15 O ASP A 2 7.226 41.354 55.024 1.00 0.00 ATOM 16 C ASP A 2 6.554 42.266 54.555 1.00 0.00 ATOM 17 N ALA A 3 5.253 42.422 54.782 1.00 0.00 ATOM 18 CA ALA A 3 4.553 41.555 55.720 1.00 0.00 ATOM 19 CB ALA A 3 3.130 42.044 55.911 1.00 0.00 ATOM 20 O ALA A 3 4.793 39.196 55.945 1.00 0.00 ATOM 21 C ALA A 3 4.537 40.130 55.199 1.00 0.00 ATOM 22 N LYS A 4 4.280 39.966 53.913 1.00 0.00 ATOM 23 CA LYS A 4 4.240 38.610 53.313 1.00 0.00 ATOM 24 CB LYS A 4 3.809 38.704 51.849 1.00 0.00 ATOM 25 CG LYS A 4 2.355 39.116 51.648 1.00 0.00 ATOM 26 CD LYS A 4 2.002 39.188 50.171 1.00 0.00 ATOM 27 CE LYS A 4 0.562 39.630 49.965 1.00 0.00 ATOM 28 NZ LYS A 4 0.208 39.734 48.524 1.00 0.00 ATOM 29 O LYS A 4 5.710 36.770 53.747 1.00 0.00 ATOM 30 C LYS A 4 5.609 37.946 53.411 1.00 0.00 ATOM 31 N PHE A 5 6.682 38.707 53.172 1.00 0.00 ATOM 32 CA PHE A 5 8.028 38.158 53.263 1.00 0.00 ATOM 33 CB PHE A 5 9.022 39.205 52.755 1.00 0.00 ATOM 34 CG PHE A 5 8.943 39.448 51.275 1.00 0.00 ATOM 35 CD1 PHE A 5 8.275 38.560 50.446 1.00 0.00 ATOM 36 CD2 PHE A 5 9.536 40.565 50.708 1.00 0.00 ATOM 37 CE1 PHE A 5 8.201 38.782 49.084 1.00 0.00 ATOM 38 CE2 PHE A 5 9.464 40.791 49.346 1.00 0.00 ATOM 39 CZ PHE A 5 8.797 39.897 48.535 1.00 0.00 ATOM 40 O PHE A 5 8.937 36.663 54.903 1.00 0.00 ATOM 41 C PHE A 5 8.388 37.741 54.690 1.00 0.00 ATOM 42 N LEU A 6 8.021 38.577 55.666 1.00 0.00 ATOM 43 CA LEU A 6 8.302 38.264 57.083 1.00 0.00 ATOM 44 CB LEU A 6 7.965 39.470 57.971 1.00 0.00 ATOM 45 CG LEU A 6 8.911 40.669 57.830 1.00 0.00 ATOM 46 CD1 LEU A 6 8.369 41.856 58.616 1.00 0.00 ATOM 47 CD2 LEU A 6 10.299 40.283 58.324 1.00 0.00 ATOM 48 O LEU A 6 8.080 36.145 58.184 1.00 0.00 ATOM 49 C LEU A 6 7.525 37.026 57.534 1.00 0.00 ATOM 50 N GLU A 7 6.257 36.954 57.127 1.00 0.00 ATOM 51 CA GLU A 7 5.410 35.789 57.456 1.00 0.00 ATOM 52 CB GLU A 7 3.968 36.033 57.007 1.00 0.00 ATOM 53 CG GLU A 7 2.997 34.921 57.377 1.00 0.00 ATOM 54 CD GLU A 7 1.665 35.113 56.704 1.00 0.00 ATOM 55 OE1 GLU A 7 1.512 36.078 55.997 1.00 0.00 ATOM 56 OE2 GLU A 7 0.839 34.238 56.811 1.00 0.00 ATOM 57 O GLU A 7 5.959 33.447 57.477 1.00 0.00 ATOM 58 C GLU A 7 5.948 34.499 56.835 1.00 0.00 ATOM 59 N ILE A 8 6.324 34.573 55.556 1.00 0.00 ATOM 60 CA ILE A 8 6.858 33.420 54.832 1.00 0.00 ATOM 61 CB ILE A 8 7.102 33.759 53.352 1.00 0.00 ATOM 62 CG1 ILE A 8 5.785 34.120 52.650 1.00 0.00 ATOM 63 CG2 ILE A 8 7.756 32.574 52.663 1.00 0.00 ATOM 64 CD1 ILE A 8 5.981 34.855 51.303 1.00 0.00 ATOM 65 O ILE A 8 8.312 31.702 55.699 1.00 0.00 ATOM 66 C ILE A 8 8.139 32.907 55.514 1.00 0.00 ATOM 67 N LEU A 9 9.004 33.846 55.896 1.00 0.00 ATOM 68 CA LEU A 9 10.248 33.511 56.610 1.00 0.00 ATOM 69 CB LEU A 9 11.067 34.815 56.794 1.00 0.00 ATOM 70 CG LEU A 9 11.539 35.430 55.468 1.00 0.00 ATOM 71 CD1 LEU A 9 12.375 36.681 55.747 1.00 0.00 ATOM 72 CD2 LEU A 9 12.354 34.395 54.682 1.00 0.00 ATOM 73 O LEU A 9 10.845 32.016 58.380 1.00 0.00 ATOM 74 C LEU A 9 10.067 32.879 57.982 1.00 0.00 ATOM 75 N VAL A 10 9.033 33.425 58.734 1.00 0.00 ATOM 76 CA VAL A 10 8.782 32.923 60.078 1.00 0.00 ATOM 77 CB VAL A 10 8.135 34.081 60.839 1.00 0.00 ATOM 78 CG1 VAL A 10 7.687 33.633 62.225 1.00 0.00 ATOM 79 CG2 VAL A 10 9.088 35.290 60.897 1.00 0.00 ATOM 80 O VAL A 10 6.734 31.839 59.445 1.00 0.00 ATOM 81 C VAL A 10 7.823 31.738 60.004 1.00 0.00 ATOM 82 N CYS A 11 8.260 30.566 60.497 1.00 0.00 ATOM 83 CA CYS A 11 7.421 29.378 60.470 1.00 0.00 ATOM 84 CB CYS A 11 8.041 28.329 61.379 1.00 0.00 ATOM 85 SG CYS A 11 6.961 26.876 61.445 1.00 0.00 ATOM 86 O CYS A 11 6.030 30.044 62.276 1.00 0.00 ATOM 87 C CYS A 11 6.061 29.693 61.100 1.00 0.00 ATOM 88 N PRO A 12 4.981 29.326 60.390 1.00 0.00 ATOM 89 CA PRO A 12 3.615 29.521 60.909 1.00 0.00 ATOM 90 CB PRO A 12 2.685 29.350 59.704 1.00 0.00 ATOM 91 CG PRO A 12 3.582 29.616 58.516 1.00 0.00 ATOM 92 CD PRO A 12 5.007 29.319 58.950 1.00 0.00 ATOM 93 O PRO A 12 2.656 29.321 63.093 1.00 0.00 ATOM 94 C PRO A 12 3.273 28.766 62.189 1.00 0.00 ATOM 95 N LEU A 13 3.794 27.547 62.335 1.00 0.00 ATOM 96 CA LEU A 13 3.537 26.738 63.525 1.00 0.00 ATOM 97 CB LEU A 13 3.846 25.297 63.213 1.00 0.00 ATOM 98 CG LEU A 13 3.635 24.297 64.344 1.00 0.00 ATOM 99 CD1 LEU A 13 2.200 24.310 64.829 1.00 0.00 ATOM 100 CD2 LEU A 13 4.053 22.911 63.877 1.00 0.00 ATOM 101 O LEU A 13 3.730 27.286 65.865 1.00 0.00 ATOM 102 C LEU A 13 4.265 27.280 64.740 1.00 0.00 ATOM 103 N CYS A 14 5.438 27.855 64.598 1.00 0.00 ATOM 104 CA CYS A 14 6.278 28.317 65.691 1.00 0.00 ATOM 105 CB CYS A 14 7.732 28.102 65.446 1.00 0.00 ATOM 106 SG CYS A 14 8.158 26.394 65.072 1.00 0.00 ATOM 107 O CYS A 14 6.011 30.317 67.125 1.00 0.00 ATOM 108 C CYS A 14 5.872 29.738 66.054 1.00 0.00 ATOM 109 N LYS A 15 6.583 30.393 64.919 1.00 0.00 ATOM 110 CA LYS A 15 7.422 31.556 64.658 1.00 0.00 ATOM 111 CB LYS A 15 6.375 32.650 65.665 1.00 0.00 ATOM 112 CG LYS A 15 7.231 32.768 66.924 1.00 0.00 ATOM 113 CD LYS A 15 6.371 33.312 68.069 1.00 0.00 ATOM 114 CE LYS A 15 6.890 34.657 68.535 1.00 0.00 ATOM 115 NZ LYS A 15 5.868 35.470 69.245 1.00 0.00 ATOM 116 O LYS A 15 9.707 32.368 64.635 1.00 0.00 ATOM 117 C LYS A 15 8.951 31.400 64.751 1.00 0.00 ATOM 118 N GLY A 16 9.405 30.161 64.563 1.00 0.00 ATOM 119 CA GLY A 16 10.844 29.872 64.361 1.00 0.00 ATOM 120 O GLY A 16 10.634 30.110 61.979 1.00 0.00 ATOM 121 C GLY A 16 11.300 30.388 63.000 1.00 0.00 ATOM 122 N PRO A 17 12.481 31.118 62.886 1.00 0.00 ATOM 123 CA PRO A 17 12.876 31.645 61.561 1.00 0.00 ATOM 124 CB PRO A 17 14.047 32.574 61.900 1.00 0.00 ATOM 125 CG PRO A 17 13.809 32.949 63.308 1.00 0.00 ATOM 126 CD PRO A 17 13.305 31.677 63.957 1.00 0.00 ATOM 127 O PRO A 17 13.966 29.604 60.901 1.00 0.00 ATOM 128 C PRO A 17 13.175 30.502 60.595 1.00 0.00 ATOM 129 N LEU A 18 12.554 30.539 59.423 1.00 0.00 ATOM 130 CA LEU A 18 12.731 29.515 58.404 1.00 0.00 ATOM 131 CB LEU A 18 11.517 29.478 57.479 1.00 0.00 ATOM 132 CG LEU A 18 10.138 29.283 58.107 1.00 0.00 ATOM 133 CD1 LEU A 18 9.065 29.240 57.022 1.00 0.00 ATOM 134 CD2 LEU A 18 10.139 27.990 58.924 1.00 0.00 ATOM 135 O LEU A 18 14.402 30.955 57.511 1.00 0.00 ATOM 136 C LEU A 18 14.002 29.806 57.630 1.00 0.00 ATOM 137 N VAL A 19 14.531 28.777 57.003 1.00 0.00 ATOM 138 CA VAL A 19 15.721 28.922 56.143 1.00 0.00 ATOM 139 CB VAL A 19 16.949 28.143 56.624 1.00 0.00 ATOM 140 CG1 VAL A 19 18.146 28.399 55.753 1.00 0.00 ATOM 141 CG2 VAL A 19 17.239 28.403 58.100 1.00 0.00 ATOM 142 O VAL A 19 14.825 27.486 54.425 1.00 0.00 ATOM 143 C VAL A 19 15.427 28.504 54.710 1.00 0.00 ATOM 144 N PHE A 20 15.886 29.402 53.822 1.00 0.00 ATOM 145 CA PHE A 20 15.720 29.234 52.363 1.00 0.00 ATOM 146 CB PHE A 20 15.948 30.577 51.638 1.00 0.00 ATOM 147 CG PHE A 20 15.578 30.573 50.186 1.00 0.00 ATOM 148 CD1 PHE A 20 14.254 30.398 49.792 1.00 0.00 ATOM 149 CD2 PHE A 20 16.554 30.738 49.207 1.00 0.00 ATOM 150 CE1 PHE A 20 13.907 30.392 48.439 1.00 0.00 ATOM 151 CE2 PHE A 20 16.218 30.731 47.852 1.00 0.00 ATOM 152 CZ PHE A 20 14.895 30.559 47.467 1.00 0.00 ATOM 153 O PHE A 20 17.853 28.232 51.931 1.00 0.00 ATOM 154 C PHE A 20 16.638 28.144 51.804 1.00 0.00 ATOM 155 N ASP A 21 16.046 27.077 51.136 1.00 0.00 ATOM 156 CA ASP A 21 16.820 25.987 50.539 1.00 0.00 ATOM 157 CB ASP A 21 16.144 24.682 50.822 1.00 0.00 ATOM 158 CG ASP A 21 17.002 23.455 50.506 1.00 0.00 ATOM 159 OD1 ASP A 21 17.633 23.394 49.447 1.00 0.00 ATOM 160 OD2 ASP A 21 17.046 22.548 51.332 1.00 0.00 ATOM 161 O ASP A 21 15.802 26.240 48.380 1.00 0.00 ATOM 162 C ASP A 21 16.846 26.266 49.032 1.00 0.00 ATOM 163 N LYS A 22 18.017 26.659 48.531 1.00 0.00 ATOM 164 CA LYS A 22 18.192 26.959 47.095 1.00 0.00 ATOM 165 CB LYS A 22 19.616 27.449 46.819 1.00 0.00 ATOM 166 CG LYS A 22 19.914 28.846 47.350 1.00 0.00 ATOM 167 CD LYS A 22 21.341 29.264 47.032 1.00 0.00 ATOM 168 CE LYS A 22 21.647 30.650 47.578 1.00 0.00 ATOM 169 NZ LYS A 22 23.052 31.059 47.307 1.00 0.00 ATOM 170 O LYS A 22 17.434 25.958 45.074 1.00 0.00 ATOM 171 C LYS A 22 17.914 25.768 46.179 1.00 0.00 ATOM 172 N SER A 23 18.304 24.570 46.619 1.00 0.00 ATOM 173 CA SER A 23 18.106 23.362 45.782 1.00 0.00 ATOM 174 CB SER A 23 18.803 22.148 46.474 1.00 0.00 ATOM 175 OG SER A 23 20.211 22.187 46.375 1.00 0.00 ATOM 176 O SER A 23 16.227 22.771 44.407 1.00 0.00 ATOM 177 C SER A 23 16.629 23.073 45.534 1.00 0.00 ATOM 178 N LYS A 24 15.804 23.198 46.533 1.00 0.00 ATOM 179 CA LYS A 24 14.376 22.929 46.440 1.00 0.00 ATOM 180 CB LYS A 24 13.918 22.074 47.648 1.00 0.00 ATOM 181 CG LYS A 24 14.786 20.839 47.889 1.00 0.00 ATOM 182 CD LYS A 24 14.842 19.967 46.660 1.00 0.00 ATOM 183 CE LYS A 24 15.624 18.668 46.828 1.00 0.00 ATOM 184 NZ LYS A 24 15.524 17.781 45.641 1.00 0.00 ATOM 185 O LYS A 24 12.273 23.971 46.062 1.00 0.00 ATOM 186 C LYS A 24 13.466 24.154 46.243 1.00 0.00 ATOM 187 N ASP A 25 14.021 25.360 46.365 1.00 0.00 ATOM 188 CA ASP A 25 13.249 26.628 46.325 1.00 0.00 ATOM 189 CB ASP A 25 12.702 26.848 44.913 1.00 0.00 ATOM 190 CG ASP A 25 13.771 27.071 43.852 1.00 0.00 ATOM 191 OD1 ASP A 25 14.619 27.905 44.058 1.00 0.00 ATOM 192 OD2 ASP A 25 13.824 26.304 42.920 1.00 0.00 ATOM 193 O ASP A 25 10.894 26.611 47.062 1.00 0.00 ATOM 194 C ASP A 25 12.097 26.574 47.355 1.00 0.00 ATOM 195 N GLU A 26 12.506 26.272 48.567 1.00 0.00 ATOM 196 CA GLU A 26 11.565 26.103 49.689 1.00 0.00 ATOM 197 CB GLU A 26 11.298 24.621 49.965 1.00 0.00 ATOM 198 CG GLU A 26 10.824 23.832 48.755 1.00 0.00 ATOM 199 CD GLU A 26 10.381 22.448 49.145 1.00 0.00 ATOM 200 OE1 GLU A 26 10.446 22.129 50.307 1.00 0.00 ATOM 201 OE2 GLU A 26 9.874 21.749 48.299 1.00 0.00 ATOM 202 O GLU A 26 13.291 27.239 50.957 1.00 0.00 ATOM 203 C GLU A 26 12.131 26.810 50.910 1.00 0.00 ATOM 204 N LEU A 27 11.242 27.018 51.869 1.00 0.00 ATOM 205 CA LEU A 27 11.632 27.533 53.181 1.00 0.00 ATOM 206 CB LEU A 27 10.809 28.765 53.528 1.00 0.00 ATOM 207 CG LEU A 27 11.270 29.985 52.753 1.00 0.00 ATOM 208 CD1 LEU A 27 10.364 31.119 53.162 1.00 0.00 ATOM 209 CD2 LEU A 27 12.641 30.382 53.245 1.00 0.00 ATOM 210 O LEU A 27 10.245 25.954 54.331 1.00 0.00 ATOM 211 C LEU A 27 11.368 26.441 54.211 1.00 0.00 ATOM 212 N ILE A 28 12.410 26.136 54.961 1.00 0.00 ATOM 213 CA ILE A 28 12.352 25.028 55.939 1.00 0.00 ATOM 214 CB ILE A 28 13.609 24.154 55.824 1.00 0.00 ATOM 215 CG1 ILE A 28 13.604 23.428 54.478 1.00 0.00 ATOM 216 CG2 ILE A 28 13.661 23.169 57.001 1.00 0.00 ATOM 217 CD1 ILE A 28 14.900 22.692 54.164 1.00 0.00 ATOM 218 O ILE A 28 13.151 26.394 57.747 1.00 0.00 ATOM 219 C ILE A 28 12.410 25.475 57.393 1.00 0.00 ATOM 220 N CYS A 29 11.594 24.830 58.215 1.00 0.00 ATOM 221 CA CYS A 29 11.553 25.128 59.636 1.00 0.00 ATOM 222 CB CYS A 29 10.133 25.061 60.144 1.00 0.00 ATOM 223 SG CYS A 29 9.981 25.463 61.911 1.00 0.00 ATOM 224 O CYS A 29 11.804 22.873 60.368 1.00 0.00 ATOM 225 C CYS A 29 12.231 24.011 60.409 1.00 0.00 ATOM 226 N LYS A 30 13.272 24.416 61.156 1.00 0.00 ATOM 227 CA LYS A 30 14.012 23.454 61.965 1.00 0.00 ATOM 228 CB LYS A 30 15.346 24.083 62.378 1.00 0.00 ATOM 229 CG LYS A 30 16.292 24.367 61.219 1.00 0.00 ATOM 230 CD LYS A 30 17.593 24.987 61.708 1.00 0.00 ATOM 231 CE LYS A 30 18.551 25.245 60.556 1.00 0.00 ATOM 232 NZ LYS A 30 19.836 25.834 61.020 1.00 0.00 ATOM 233 O LYS A 30 13.455 21.839 63.669 1.00 0.00 ATOM 234 C LYS A 30 13.253 22.991 63.202 1.00 0.00 ATOM 235 N GLY A 31 12.376 23.846 63.806 1.00 0.00 ATOM 236 CA GLY A 31 11.568 23.452 64.955 1.00 0.00 ATOM 237 O GLY A 31 11.480 21.047 64.900 1.00 0.00 ATOM 238 C GLY A 31 10.884 22.109 64.692 1.00 0.00 ATOM 239 N ASP A 32 9.632 22.153 64.162 1.00 0.00 ATOM 240 CA ASP A 32 8.899 20.911 63.887 1.00 0.00 ATOM 241 CB ASP A 32 7.437 21.120 64.275 1.00 0.00 ATOM 242 CG ASP A 32 7.242 21.344 65.765 1.00 0.00 ATOM 243 OD1 ASP A 32 8.074 20.880 66.576 1.00 0.00 ATOM 244 OD2 ASP A 32 6.232 22.003 66.088 1.00 0.00 ATOM 245 O ASP A 32 8.203 19.439 62.121 1.00 0.00 ATOM 246 C ASP A 32 8.960 20.349 62.472 1.00 0.00 ATOM 247 N ARG A 33 9.944 20.986 61.673 1.00 0.00 ATOM 248 CA ARG A 33 10.169 20.550 60.293 1.00 0.00 ATOM 249 CB ARG A 33 11.413 19.491 60.477 1.00 0.00 ATOM 250 CG ARG A 33 12.731 20.209 60.841 1.00 0.00 ATOM 251 CD ARG A 33 13.629 20.543 59.642 1.00 0.00 ATOM 252 NE ARG A 33 13.729 19.375 58.783 1.00 0.00 ATOM 253 CZ ARG A 33 13.633 19.196 57.490 1.00 0.00 ATOM 254 NH1 ARG A 33 13.430 20.197 56.659 1.00 0.00 ATOM 255 NH2 ARG A 33 13.663 17.967 57.006 1.00 0.00 ATOM 256 O ARG A 33 9.033 20.088 58.209 1.00 0.00 ATOM 257 C ARG A 33 9.021 20.726 59.264 1.00 0.00 ATOM 258 N LEU A 34 8.337 21.868 59.354 1.00 0.00 ATOM 259 CA LEU A 34 7.438 22.346 58.278 1.00 0.00 ATOM 260 CB LEU A 34 6.509 23.473 58.751 1.00 0.00 ATOM 261 CG LEU A 34 5.524 23.063 59.855 1.00 0.00 ATOM 262 CD1 LEU A 34 4.746 24.294 60.320 1.00 0.00 ATOM 263 CD2 LEU A 34 4.531 22.015 59.368 1.00 0.00 ATOM 264 O LEU A 34 9.465 23.246 57.308 1.00 0.00 ATOM 265 C LEU A 34 8.319 22.825 57.115 1.00 0.00 ATOM 266 N ALA A 35 7.780 22.696 55.912 1.00 0.00 ATOM 267 CA ALA A 35 8.465 23.183 54.708 1.00 0.00 ATOM 268 CB ALA A 35 9.077 22.022 53.960 1.00 0.00 ATOM 269 O ALA A 35 6.284 23.395 53.745 1.00 0.00 ATOM 270 C ALA A 35 7.423 23.853 53.825 1.00 0.00 ATOM 271 N PHE A 36 7.792 24.998 53.280 1.00 0.00 ATOM 272 CA PHE A 36 6.925 25.743 52.362 1.00 0.00 ATOM 273 CB PHE A 36 6.471 27.051 53.063 1.00 0.00 ATOM 274 CG PHE A 36 6.117 26.892 54.513 1.00 0.00 ATOM 275 CD1 PHE A 36 4.999 26.171 54.892 1.00 0.00 ATOM 276 CD2 PHE A 36 6.916 27.462 55.505 1.00 0.00 ATOM 277 CE1 PHE A 36 4.670 26.016 56.236 1.00 0.00 ATOM 278 CE2 PHE A 36 6.596 27.313 56.851 1.00 0.00 ATOM 279 CZ PHE A 36 5.471 26.589 57.221 1.00 0.00 ATOM 280 O PHE A 36 8.653 26.288 50.826 1.00 0.00 ATOM 281 C PHE A 36 7.558 25.769 50.967 1.00 0.00 ATOM 282 N PRO A 37 7.002 24.997 50.011 1.00 0.00 ATOM 283 CA PRO A 37 7.455 25.058 48.610 1.00 0.00 ATOM 284 CB PRO A 37 6.688 23.926 47.970 1.00 0.00 ATOM 285 CG PRO A 37 5.353 24.024 48.675 1.00 0.00 ATOM 286 CD PRO A 37 5.755 24.210 50.132 1.00 0.00 ATOM 287 O PRO A 37 6.100 27.006 48.439 1.00 0.00 ATOM 288 C PRO A 37 7.146 26.455 48.079 1.00 0.00 ATOM 289 N ILE A 38 8.109 27.048 47.468 1.00 0.00 ATOM 290 CA ILE A 38 7.910 28.432 46.972 1.00 0.00 ATOM 291 CB ILE A 38 8.710 29.458 47.796 1.00 0.00 ATOM 292 CG1 ILE A 38 8.143 29.561 49.215 1.00 0.00 ATOM 293 CG2 ILE A 38 8.692 30.818 47.113 1.00 0.00 ATOM 294 CD1 ILE A 38 9.114 30.138 50.219 1.00 0.00 ATOM 295 O ILE A 38 9.551 28.591 45.288 1.00 0.00 ATOM 296 C ILE A 38 8.343 28.634 45.530 1.00 0.00 ATOM 297 N LYS A 39 7.541 29.407 44.791 1.00 0.00 ATOM 298 CA LYS A 39 7.832 29.711 43.397 1.00 0.00 ATOM 299 CB LYS A 39 6.689 29.266 42.499 1.00 0.00 ATOM 300 CG LYS A 39 6.889 29.660 41.045 1.00 0.00 ATOM 301 CD LYS A 39 5.793 29.078 40.154 1.00 0.00 ATOM 302 CE LYS A 39 6.040 29.420 38.684 1.00 0.00 ATOM 303 NZ LYS A 39 5.013 28.811 37.781 1.00 0.00 ATOM 304 O LYS A 39 7.074 31.953 43.743 1.00 0.00 ATOM 305 C LYS A 39 7.970 31.223 43.320 1.00 0.00 ATOM 306 N ASP A 40 9.137 31.665 42.872 1.00 0.00 ATOM 307 CA ASP A 40 9.395 33.118 42.670 1.00 0.00 ATOM 308 CB ASP A 40 8.478 33.697 41.589 1.00 0.00 ATOM 309 CG ASP A 40 8.707 33.125 40.197 1.00 0.00 ATOM 310 OD1 ASP A 40 9.834 33.095 39.767 1.00 0.00 ATOM 311 OD2 ASP A 40 7.782 32.583 39.641 1.00 0.00 ATOM 312 O ASP A 40 8.771 35.074 43.981 1.00 0.00 ATOM 313 C ASP A 40 9.232 33.931 43.969 1.00 0.00 ATOM 314 N GLY A 41 9.669 33.352 45.076 1.00 0.00 ATOM 315 CA GLY A 41 9.591 34.002 46.411 1.00 0.00 ATOM 316 O GLY A 41 7.925 34.492 48.107 1.00 0.00 ATOM 317 C GLY A 41 8.183 33.962 47.038 1.00 0.00 ATOM 318 N ILE A 42 7.253 33.300 46.399 1.00 0.00 ATOM 319 CA ILE A 42 5.891 33.182 46.962 1.00 0.00 ATOM 320 CB ILE A 42 4.821 33.720 45.994 1.00 0.00 ATOM 321 CG1 ILE A 42 5.057 35.207 45.710 1.00 0.00 ATOM 322 CG2 ILE A 42 3.430 33.498 46.562 1.00 0.00 ATOM 323 CD1 ILE A 42 4.190 35.764 44.604 1.00 0.00 ATOM 324 O ILE A 42 5.686 30.850 46.427 1.00 0.00 ATOM 325 C ILE A 42 5.564 31.730 47.279 1.00 0.00 ATOM 326 N PRO A 43 5.189 31.432 48.543 1.00 0.00 ATOM 327 CA PRO A 43 4.857 30.068 48.955 1.00 0.00 ATOM 328 CB PRO A 43 4.529 30.229 50.450 1.00 0.00 ATOM 329 CG PRO A 43 5.262 31.486 50.836 1.00 0.00 ATOM 330 CD PRO A 43 5.023 32.374 49.648 1.00 0.00 ATOM 331 O PRO A 43 2.667 30.242 47.980 1.00 0.00 ATOM 332 C PRO A 43 3.606 29.505 48.286 1.00 0.00 ATOM 333 N MET A 44 3.636 28.206 48.050 1.00 0.00 ATOM 334 CA MET A 44 2.503 27.551 47.414 1.00 0.00 ATOM 335 CB MET A 44 2.745 26.072 47.262 1.00 0.00 ATOM 336 CG MET A 44 1.566 25.330 46.633 1.00 0.00 ATOM 337 SD MET A 44 1.723 23.533 46.776 1.00 0.00 ATOM 338 CE MET A 44 1.378 23.327 48.515 1.00 0.00 ATOM 339 O MET A 44 0.197 28.172 47.818 1.00 0.00 ATOM 340 C MET A 44 1.263 27.753 48.295 1.00 0.00 ATOM 341 N MET A 45 1.381 27.466 49.583 1.00 0.00 ATOM 342 CA MET A 45 0.234 27.605 50.479 1.00 0.00 ATOM 343 CB MET A 45 0.615 27.094 51.873 1.00 0.00 ATOM 344 CG MET A 45 0.802 25.612 52.012 1.00 0.00 ATOM 345 SD MET A 45 1.446 25.079 53.583 1.00 0.00 ATOM 346 CE MET A 45 0.003 25.371 54.623 1.00 0.00 ATOM 347 O MET A 45 -1.450 29.274 50.687 1.00 0.00 ATOM 348 C MET A 45 -0.254 29.044 50.620 1.00 0.00 ATOM 349 N LEU A 46 0.678 29.996 50.601 1.00 0.00 ATOM 350 CA LEU A 46 0.378 31.415 50.796 1.00 0.00 ATOM 351 CB LEU A 46 1.674 32.202 51.034 1.00 0.00 ATOM 352 CG LEU A 46 1.489 33.707 51.271 1.00 0.00 ATOM 353 CD1 LEU A 46 0.633 33.940 52.508 1.00 0.00 ATOM 354 CD2 LEU A 46 2.850 34.368 51.424 1.00 0.00 ATOM 355 O LEU A 46 -1.360 32.638 49.834 1.00 0.00 ATOM 356 C LEU A 46 -0.377 31.973 49.611 1.00 0.00 ATOM 357 N GLU A 47 0.002 31.661 48.372 1.00 0.00 ATOM 358 CA GLU A 47 -0.760 32.128 47.204 1.00 0.00 ATOM 359 CB GLU A 47 0.004 31.775 45.920 1.00 0.00 ATOM 360 CG GLU A 47 -0.729 32.203 44.660 1.00 0.00 ATOM 361 CD GLU A 47 0.108 32.025 43.409 1.00 0.00 ATOM 362 OE1 GLU A 47 1.001 31.154 43.394 1.00 0.00 ATOM 363 OE2 GLU A 47 -0.141 32.761 42.440 1.00 0.00 ATOM 364 O GLU A 47 -3.120 32.299 46.992 1.00 0.00 ATOM 365 C GLU A 47 -2.179 31.548 47.175 1.00 0.00 ATOM 366 N SER A 48 -2.300 30.260 47.488 1.00 0.00 ATOM 367 CA SER A 48 -3.623 29.601 47.590 1.00 0.00 ATOM 368 CB SER A 48 -3.448 28.109 47.791 1.00 0.00 ATOM 369 OG SER A 48 -2.881 27.488 46.669 1.00 0.00 ATOM 370 O SER A 48 -5.587 30.653 48.502 1.00 0.00 ATOM 371 C SER A 48 -4.470 30.181 48.728 1.00 0.00 ATOM 372 N GLU A 49 -3.846 30.310 49.893 1.00 0.00 ATOM 373 CA GLU A 49 -4.497 30.874 51.096 1.00 0.00 ATOM 374 CB GLU A 49 -3.714 30.728 52.382 1.00 0.00 ATOM 375 CG GLU A 49 -3.894 29.291 52.837 1.00 0.00 ATOM 376 CD GLU A 49 -2.871 28.749 53.797 1.00 0.00 ATOM 377 OE1 GLU A 49 -1.931 29.402 54.245 1.00 0.00 ATOM 378 OE2 GLU A 49 -2.963 27.532 54.130 1.00 0.00 ATOM 379 O GLU A 49 -5.814 32.886 51.202 1.00 0.00 ATOM 380 C GLU A 49 -4.736 32.374 50.891 1.00 0.00 ATOM 381 N ALA A 50 -3.747 33.077 50.316 1.00 0.00 ATOM 382 CA ALA A 50 -3.853 34.518 50.070 1.00 0.00 ATOM 383 CB ALA A 50 -2.540 35.167 49.607 1.00 0.00 ATOM 384 O ALA A 50 -5.649 35.805 49.214 1.00 0.00 ATOM 385 C ALA A 50 -4.925 34.838 49.038 1.00 0.00 ATOM 386 N ARG A 51 -5.062 34.003 48.010 1.00 0.00 ATOM 387 CA ARG A 51 -6.113 34.219 46.990 1.00 0.00 ATOM 388 CB ARG A 51 -5.974 33.230 45.828 1.00 0.00 ATOM 389 CG ARG A 51 -4.790 33.470 44.912 1.00 0.00 ATOM 390 CD ARG A 51 -4.827 32.689 43.558 1.00 0.00 ATOM 391 NE ARG A 51 -3.634 32.961 42.739 1.00 0.00 ATOM 392 CZ ARG A 51 -3.414 34.095 42.073 1.00 0.00 ATOM 393 NH1 ARG A 51 -4.305 35.085 42.086 1.00 0.00 ATOM 394 NH2 ARG A 51 -2.293 34.249 41.380 1.00 0.00 ATOM 395 O ARG A 51 -8.393 34.908 47.294 1.00 0.00 ATOM 396 C ARG A 51 -7.523 34.084 47.577 1.00 0.00 ATOM 397 N GLU A 52 -7.700 33.087 48.424 1.00 0.00 ATOM 398 CA GLU A 52 -9.001 32.850 49.059 1.00 0.00 ATOM 399 CB GLU A 52 -9.109 31.609 49.806 1.00 0.00 ATOM 400 CG GLU A 52 -9.122 30.413 48.845 1.00 0.00 ATOM 401 CD GLU A 52 -10.232 30.475 47.810 1.00 0.00 ATOM 402 OE1 GLU A 52 -11.432 30.544 48.166 1.00 0.00 ATOM 403 OE2 GLU A 52 -9.910 30.519 46.596 1.00 0.00 ATOM 404 O GLU A 52 -10.518 34.326 50.111 1.00 0.00 ATOM 405 C GLU A 52 -9.349 33.969 50.035 1.00 0.00 ATOM 406 N LEU A 53 -8.342 34.487 50.744 1.00 0.00 ATOM 407 CA LEU A 53 -8.497 35.573 51.736 1.00 0.00 ATOM 408 CB LEU A 53 -7.540 35.321 52.939 1.00 0.00 ATOM 409 CG LEU A 53 -7.739 33.925 53.550 1.00 0.00 ATOM 410 CD1 LEU A 53 -6.689 33.677 54.666 1.00 0.00 ATOM 411 CD2 LEU A 53 -9.150 33.818 54.130 1.00 0.00 ATOM 412 O LEU A 53 -7.711 37.029 49.986 1.00 0.00 ATOM 413 C LEU A 53 -8.106 36.938 51.135 1.00 0.00 ATOM 414 N ALA A 54 -8.372 38.002 51.889 1.00 0.00 ATOM 415 CA ALA A 54 -8.031 39.377 51.455 1.00 0.00 ATOM 416 CB ALA A 54 -9.151 40.317 51.850 1.00 0.00 ATOM 417 O ALA A 54 -6.239 39.251 53.025 1.00 0.00 ATOM 418 C ALA A 54 -6.798 39.918 52.158 1.00 0.00 ATOM 419 N PRO A 55 -6.213 41.088 51.711 1.00 0.00 ATOM 420 CA PRO A 55 -5.026 41.667 52.343 1.00 0.00 ATOM 421 CB PRO A 55 -4.804 42.974 51.549 1.00 0.00 ATOM 422 CG PRO A 55 -5.345 42.632 50.126 1.00 0.00 ATOM 423 CD PRO A 55 -6.557 41.753 50.392 1.00 0.00 ATOM 424 O PRO A 55 -4.456 41.467 54.639 1.00 0.00 ATOM 425 C PRO A 55 -5.269 41.901 53.838 1.00 0.00 ATOM 426 N GLU A 56 -6.519 42.213 54.197 1.00 0.00 ATOM 427 CA GLU A 56 -6.923 42.436 55.599 1.00 0.00 ATOM 428 CB GLU A 56 -8.322 42.927 55.695 1.00 0.00 ATOM 429 CG GLU A 56 -8.510 44.363 55.209 1.00 0.00 ATOM 430 CD GLU A 56 -8.745 44.484 53.722 1.00 0.00 ATOM 431 OE1 GLU A 56 -8.740 43.480 52.969 1.00 0.00 ATOM 432 OE2 GLU A 56 -8.967 45.632 53.253 1.00 0.00 ATOM 433 O GLU A 56 -6.294 41.061 57.442 1.00 0.00 ATOM 434 C GLU A 56 -6.962 41.160 56.417 1.00 0.00 ATOM 435 N GLU A 57 -7.666 40.129 55.944 1.00 0.00 ATOM 436 CA GLU A 57 -7.748 38.855 56.646 1.00 0.00 ATOM 437 CB GLU A 57 -8.817 37.925 55.957 1.00 0.00 ATOM 438 CG GLU A 57 -10.219 38.501 55.996 1.00 0.00 ATOM 439 CD GLU A 57 -11.292 37.640 55.306 1.00 0.00 ATOM 440 OE1 GLU A 57 -11.087 37.182 54.160 1.00 0.00 ATOM 441 OE2 GLU A 57 -12.353 37.458 55.915 1.00 0.00 ATOM 442 O GLU A 57 -6.040 37.551 57.695 1.00 0.00 ATOM 443 C GLU A 57 -6.392 38.133 56.675 1.00 0.00 ATOM 444 N GLU A 58 -5.645 38.197 55.580 1.00 0.00 ATOM 445 CA GLU A 58 -4.348 37.530 55.503 1.00 0.00 ATOM 446 CB GLU A 58 -3.722 37.737 54.116 1.00 0.00 ATOM 447 CG GLU A 58 -2.248 37.347 54.012 1.00 0.00 ATOM 448 CD GLU A 58 -1.749 37.268 52.569 1.00 0.00 ATOM 449 OE1 GLU A 58 -2.272 38.010 51.711 1.00 0.00 ATOM 450 OE2 GLU A 58 -0.818 36.480 52.302 1.00 0.00 ATOM 451 O GLU A 58 -2.538 37.385 57.084 1.00 0.00 ATOM 452 C GLU A 58 -3.335 38.116 56.487 1.00 0.00 ATOM 453 N VAL A 59 -3.333 39.441 56.647 1.00 0.00 ATOM 454 CA VAL A 59 -2.417 40.086 57.582 1.00 0.00 ATOM 455 CB VAL A 59 -2.538 41.660 57.417 1.00 0.00 ATOM 456 CG1 VAL A 59 -1.809 42.371 58.558 1.00 0.00 ATOM 457 CG2 VAL A 59 -1.958 42.096 56.085 1.00 0.00 ATOM 458 O VAL A 59 -1.838 39.243 59.757 1.00 0.00 ATOM 459 C VAL A 59 -2.728 39.602 58.990 1.00 0.00 ATOM 460 N LYS A 60 -4.003 39.541 59.371 1.00 0.00 ATOM 461 CA LYS A 60 -4.396 39.039 60.704 1.00 0.00 ATOM 462 CB LYS A 60 -5.912 39.117 60.864 1.00 0.00 ATOM 463 CG LYS A 60 -6.411 40.557 60.922 1.00 0.00 ATOM 464 CD LYS A 60 -7.932 40.552 61.059 1.00 0.00 ATOM 465 CE LYS A 60 -8.466 41.985 60.990 1.00 0.00 ATOM 466 NZ LYS A 60 -9.921 42.029 61.191 1.00 0.00 ATOM 467 O LYS A 60 -3.406 37.254 61.959 1.00 0.00 ATOM 468 C LYS A 60 -3.937 37.600 60.894 1.00 0.00 ATOM 469 N LEU A 61 -4.053 36.778 59.834 1.00 0.00 ATOM 470 CA LEU A 61 -3.632 35.386 59.887 1.00 0.00 ATOM 471 CB LEU A 61 -4.048 34.691 58.584 1.00 0.00 ATOM 472 CG LEU A 61 -3.720 33.195 58.507 1.00 0.00 ATOM 473 CD1 LEU A 61 -4.433 32.445 59.624 1.00 0.00 ATOM 474 CD2 LEU A 61 -4.129 32.655 57.145 1.00 0.00 ATOM 475 O LEU A 61 -1.608 34.402 60.703 1.00 0.00 ATOM 476 C LEU A 61 -2.120 35.327 60.077 1.00 0.00 ATOM 477 N GLU A 62 -1.436 36.193 59.350 1.00 0.00 ATOM 478 CA GLU A 62 0.013 36.223 59.452 1.00 0.00 ATOM 479 CB GLU A 62 0.611 37.371 58.638 1.00 0.00 ATOM 480 CG GLU A 62 2.083 37.639 58.916 1.00 0.00 ATOM 481 CD GLU A 62 2.596 38.784 58.086 1.00 0.00 ATOM 482 OE1 GLU A 62 2.488 38.720 56.886 1.00 0.00 ATOM 483 OE2 GLU A 62 2.990 39.774 58.658 1.00 0.00 ATOM 484 O GLU A 62 1.225 35.694 61.501 1.00 0.00 ATOM 485 C GLU A 62 0.376 36.392 60.933 1.00 0.00 ATOM 486 N HIS A 63 -0.345 37.307 61.577 1.00 0.00 ATOM 487 CA HIS A 63 -0.094 37.570 63.008 1.00 0.00 ATOM 488 CB HIS A 63 -0.834 38.831 63.467 1.00 0.00 ATOM 489 CG HIS A 63 -0.260 40.098 62.913 1.00 0.00 ATOM 490 CD2 HIS A 63 -0.781 41.022 62.073 1.00 0.00 ATOM 491 ND1 HIS A 63 1.012 40.536 63.223 1.00 0.00 ATOM 492 CE1 HIS A 63 1.246 41.675 62.594 1.00 0.00 ATOM 493 NE2 HIS A 63 0.174 41.990 61.891 1.00 0.00 ATOM 494 O HIS A 63 0.123 36.175 64.943 1.00 0.00 ATOM 495 C HIS A 63 -0.500 36.410 63.918 1.00 0.00 ATOM 496 N HIS A 64 -1.567 35.699 63.538 1.00 0.00 ATOM 497 CA HIS A 64 -1.981 34.499 64.293 1.00 0.00 ATOM 498 CB HIS A 64 -3.307 33.971 63.721 1.00 0.00 ATOM 499 CG HIS A 64 -4.502 34.787 64.097 1.00 0.00 ATOM 500 CD2 HIS A 64 -5.376 35.492 63.331 1.00 0.00 ATOM 501 ND1 HIS A 64 -4.916 34.914 65.417 1.00 0.00 ATOM 502 CE1 HIS A 64 -6.004 35.676 65.431 1.00 0.00 ATOM 503 NE2 HIS A 64 -6.287 36.073 64.187 1.00 0.00 ATOM 504 O HIS A 64 -0.644 32.721 65.268 1.00 0.00 ATOM 505 C HIS A 64 -0.906 33.390 64.254 1.00 0.00 ATOM 506 N HIS A 65 -0.320 33.192 63.071 1.00 0.00 ATOM 507 CA HIS A 65 0.731 32.189 62.915 1.00 0.00 ATOM 508 CB HIS A 65 1.148 32.084 61.445 1.00 0.00 ATOM 509 CG HIS A 65 0.116 31.441 60.570 1.00 0.00 ATOM 510 CD2 HIS A 65 -1.010 30.757 60.876 1.00 0.00 ATOM 511 ND1 HIS A 65 0.186 31.468 59.194 1.00 0.00 ATOM 512 CE1 HIS A 65 -0.854 30.826 58.691 1.00 0.00 ATOM 513 NE2 HIS A 65 -1.594 30.385 59.691 1.00 0.00 ATOM 514 O HIS A 65 2.545 31.801 64.443 1.00 0.00 ATOM 515 C HIS A 65 1.915 32.620 63.778 1.00 0.00 ATOM 516 N HIS A 66 2.261 33.888 63.675 1.00 0.00 ATOM 517 CA HIS A 66 3.362 34.491 64.414 1.00 0.00 ATOM 518 CB HIS A 66 3.513 35.959 64.002 1.00 0.00 ATOM 519 CG HIS A 66 4.090 36.144 62.635 1.00 0.00 ATOM 520 CD2 HIS A 66 4.709 35.273 61.804 1.00 0.00 ATOM 521 ND1 HIS A 66 4.065 37.354 61.974 1.00 0.00 ATOM 522 CE1 HIS A 66 4.645 37.219 60.793 1.00 0.00 ATOM 523 NE2 HIS A 66 5.042 35.966 60.666 1.00 0.00 ATOM 524 O HIS A 66 3.942 34.074 66.712 1.00 0.00 ATOM 525 C HIS A 66 3.058 34.372 65.898 1.00 0.00 ATOM 526 N HIS A 67 1.791 34.527 66.263 1.00 0.00 ATOM 527 CA HIS A 67 1.381 34.402 67.660 1.00 0.00 ATOM 528 CB HIS A 67 -0.092 34.808 67.797 1.00 0.00 ATOM 529 CG HIS A 67 -0.673 34.522 69.148 1.00 0.00 ATOM 530 CD2 HIS A 67 -1.337 33.441 69.620 1.00 0.00 ATOM 531 ND1 HIS A 67 -0.583 35.406 70.199 1.00 0.00 ATOM 532 CE1 HIS A 67 -1.165 34.881 71.264 1.00 0.00 ATOM 533 NE2 HIS A 67 -1.630 33.690 70.940 1.00 0.00 ATOM 534 O HIS A 67 2.385 32.730 69.060 1.00 0.00 ATOM 535 C HIS A 67 1.628 32.970 68.121 1.00 0.00 ATOM 536 N HIS A 68 1.001 32.017 67.445 1.00 0.00 ATOM 537 CA HIS A 68 1.161 30.621 67.809 1.00 0.00 ATOM 538 CB HIS A 68 0.075 29.786 67.143 1.00 0.00 ATOM 539 CG HIS A 68 -1.292 30.077 67.675 1.00 0.00 ATOM 540 CD2 HIS A 68 -2.343 30.728 67.125 1.00 0.00 ATOM 541 ND1 HIS A 68 -1.674 29.733 68.953 1.00 0.00 ATOM 542 CE1 HIS A 68 -2.906 30.162 69.170 1.00 0.00 ATOM 543 NE2 HIS A 68 -3.333 30.770 68.079 1.00 0.00 ATOM 544 O HIS A 68 2.967 29.134 68.274 1.00 0.00 ATOM 545 C HIS A 68 2.545 30.049 67.570 1.00 0.00 ENDMDL EXPDTA 2hf1A MODEL 2 REMARK 44 REMARK 44 model 2 is called 2hf1A ATOM 1 N ASP 2 -0.180 52.346 48.091 1.00 0.00 ATOM 2 CA ASP 2 -0.766 51.284 47.223 1.00 0.00 ATOM 3 CB ASP 2 -0.006 51.214 45.903 1.00 0.00 ATOM 4 O ASP 2 0.107 49.703 48.810 1.00 0.00 ATOM 5 C ASP 2 -0.720 49.927 47.924 1.00 0.00 ATOM 6 N ALA 3 -1.614 49.028 47.524 1.00 0.00 ATOM 7 CA ALA 3 -1.672 47.698 48.109 1.00 0.00 ATOM 8 CB ALA 3 -2.979 47.017 47.737 1.00 0.00 ATOM 9 O ALA 3 -0.280 46.796 46.385 1.00 0.00 ATOM 10 C ALA 3 -0.499 46.885 47.593 1.00 0.00 ATOM 11 N LYS 4 0.259 46.297 48.508 1.00 0.00 ATOM 12 CA LYS 4 1.403 45.490 48.117 1.00 0.00 ATOM 13 CB LYS 4 2.686 46.318 48.194 1.00 0.00 ATOM 14 CG LYS 4 2.916 47.013 49.521 1.00 0.00 ATOM 15 CD LYS 4 3.884 48.168 49.337 1.00 0.00 ATOM 16 CE LYS 4 3.315 49.198 48.359 1.00 0.00 ATOM 17 NZ LYS 4 4.295 50.261 47.991 1.00 0.00 ATOM 18 O LYS 4 0.861 44.102 49.998 1.00 0.00 ATOM 19 C LYS 4 1.524 44.237 48.967 1.00 0.00 ATOM 20 N PHE 5 2.374 43.323 48.516 1.00 0.00 ATOM 21 CA PHE 5 2.583 42.062 49.206 1.00 0.00 ATOM 22 CB PHE 5 2.696 40.933 48.179 1.00 0.00 ATOM 23 CG PHE 5 2.637 39.557 48.777 1.00 0.00 ATOM 24 CD1 PHE 5 3.746 39.005 49.406 1.00 0.00 ATOM 25 CD2 PHE 5 1.460 38.817 48.721 1.00 0.00 ATOM 26 CE1 PHE 5 3.686 37.733 49.971 1.00 0.00 ATOM 27 CE2 PHE 5 1.385 37.544 49.281 1.00 0.00 ATOM 28 CZ PHE 5 2.501 36.999 49.909 1.00 0.00 ATOM 29 O PHE 5 4.950 42.069 49.658 1.00 0.00 ATOM 30 C PHE 5 3.808 42.075 50.119 1.00 0.00 ATOM 31 N LEU 6 3.546 42.102 51.422 1.00 0.00 ATOM 32 CA LEU 6 4.589 42.088 52.438 1.00 0.00 ATOM 33 CB LEU 6 4.689 43.444 53.147 1.00 0.00 ATOM 34 CG LEU 6 5.171 44.701 52.403 1.00 0.00 ATOM 35 CD1 LEU 6 4.976 45.913 53.313 1.00 0.00 ATOM 36 CD2 LEU 6 6.637 44.561 52.002 1.00 0.00 ATOM 37 O LEU 6 3.144 41.053 54.060 1.00 0.00 ATOM 38 C LEU 6 4.227 41.016 53.468 1.00 0.00 ATOM 39 N GLU 7 5.118 40.050 53.670 1.00 0.00 ATOM 40 CA GLU 7 4.858 39.005 54.657 1.00 0.00 ATOM 41 CB GLU 7 4.279 37.749 53.994 1.00 0.00 ATOM 42 CG GLU 7 5.103 37.183 52.863 1.00 0.00 ATOM 43 CD GLU 7 4.662 35.780 52.467 1.00 0.00 ATOM 44 OE1 GLU 7 3.504 35.404 52.756 1.00 0.00 ATOM 45 OE2 GLU 7 5.472 35.057 51.854 1.00 0.00 ATOM 46 O GLU 7 7.186 38.470 54.885 1.00 0.00 ATOM 47 C GLU 7 6.109 38.647 55.450 1.00 0.00 ATOM 48 N ILE 8 5.965 38.564 56.770 1.00 0.00 ATOM 49 CA ILE 8 7.091 38.213 57.628 1.00 0.00 ATOM 50 CB ILE 8 6.746 38.424 59.117 1.00 0.00 ATOM 51 CG1 ILE 8 7.968 38.116 59.983 1.00 0.00 ATOM 52 CG2 ILE 8 5.564 37.553 59.512 1.00 0.00 ATOM 53 CD1 ILE 8 7.790 38.487 61.441 1.00 0.00 ATOM 54 O ILE 8 6.574 35.903 57.222 1.00 0.00 ATOM 55 C ILE 8 7.449 36.748 57.367 1.00 0.00 ATOM 56 N LEU 9 8.740 36.451 57.292 1.00 0.00 ATOM 57 CA LEU 9 9.174 35.092 57.011 1.00 0.00 ATOM 58 CB LEU 9 10.376 35.102 56.061 1.00 0.00 ATOM 59 CG LEU 9 10.136 35.740 54.690 1.00 0.00 ATOM 60 CD1 LEU 9 11.346 35.507 53.790 1.00 0.00 ATOM 61 CD2 LEU 9 8.889 35.138 54.064 1.00 0.00 ATOM 62 O LEU 9 10.685 34.135 58.580 1.00 0.00 ATOM 63 C LEU 9 9.517 34.289 58.249 1.00 0.00 ATOM 64 N VAL 10 8.481 33.812 58.936 1.00 0.00 ATOM 65 CA VAL 10 8.636 32.976 60.113 1.00 0.00 ATOM 66 CB VAL 10 8.272 33.709 61.437 1.00 0.00 ATOM 67 CG1 VAL 10 9.349 34.715 61.782 1.00 0.00 ATOM 68 CG2 VAL 10 6.925 34.392 61.317 1.00 0.00 ATOM 69 O VAL 10 6.725 31.890 59.154 1.00 0.00 ATOM 70 C VAL 10 7.695 31.798 59.914 1.00 0.00 ATOM 71 N CYS 11 7.990 30.687 60.573 1.00 0.00 ATOM 72 CA CYS 11 7.153 29.508 60.446 1.00 0.00 ATOM 73 CB CYS 11 7.723 28.359 61.275 1.00 0.00 ATOM 74 SG CYS 11 6.616 26.950 61.291 1.00 0.00 ATOM 75 O CYS 11 5.573 30.377 62.016 1.00 0.00 ATOM 76 C CYS 11 5.746 29.836 60.930 1.00 0.00 ATOM 77 N PRO 12 4.721 29.510 60.131 1.00 0.00 ATOM 78 CA PRO 12 3.340 29.797 60.528 1.00 0.00 ATOM 79 CB PRO 12 2.533 29.332 59.318 1.00 0.00 ATOM 80 CG PRO 12 3.345 28.219 58.787 1.00 0.00 ATOM 81 CD PRO 12 4.753 28.773 58.859 1.00 0.00 ATOM 82 O PRO 12 1.859 29.433 62.382 1.00 0.00 ATOM 83 C PRO 12 2.905 29.106 61.824 1.00 0.00 ATOM 84 N LEU 13 3.710 28.162 62.305 1.00 0.00 ATOM 85 CA LEU 13 3.387 27.443 63.533 1.00 0.00 ATOM 86 CB LEU 13 3.667 25.947 63.361 1.00 0.00 ATOM 87 CG LEU 13 2.658 25.144 62.538 1.00 0.00 ATOM 88 CD1 LEU 13 3.116 23.696 62.425 1.00 0.00 ATOM 89 CD2 LEU 13 1.297 25.212 63.206 1.00 0.00 ATOM 90 O LEU 13 3.486 28.494 65.690 1.00 0.00 ATOM 91 C LEU 13 4.110 27.941 64.783 1.00 0.00 ATOM 92 N CYS 14 5.423 27.736 64.832 1.00 0.00 ATOM 93 CA CYS 14 6.227 28.133 65.984 1.00 0.00 ATOM 94 CB CYS 14 7.433 27.201 66.115 1.00 0.00 ATOM 95 SG CYS 14 8.664 27.399 64.788 1.00 0.00 ATOM 96 O CYS 14 7.301 30.067 66.901 1.00 0.00 ATOM 97 C CYS 14 6.726 29.573 65.930 1.00 0.00 ATOM 98 N LYS 15 6.513 30.239 64.799 1.00 0.00 ATOM 99 CA LYS 15 6.968 31.616 64.611 1.00 0.00 ATOM 100 CB LYS 15 6.371 32.536 65.682 1.00 0.00 ATOM 101 CG LYS 15 4.981 33.036 65.349 1.00 0.00 ATOM 102 CD LYS 15 4.007 31.885 65.194 1.00 0.00 ATOM 103 CE LYS 15 2.673 32.360 64.641 1.00 0.00 ATOM 104 NZ LYS 15 2.012 33.396 65.488 1.00 0.00 ATOM 105 O LYS 15 9.031 32.820 64.859 1.00 0.00 ATOM 106 C LYS 15 8.490 31.739 64.623 1.00 0.00 ATOM 107 N GLY 16 9.178 30.632 64.360 1.00 0.00 ATOM 108 CA GLY 16 10.632 30.656 64.332 1.00 0.00 ATOM 109 O GLY 16 10.388 30.979 61.981 1.00 0.00 ATOM 110 C GLY 16 11.157 30.980 62.944 1.00 0.00 ATOM 111 N PRO 17 12.463 31.262 62.803 1.00 0.00 ATOM 112 CA PRO 17 13.064 31.585 61.504 1.00 0.00 ATOM 113 CB PRO 17 14.467 32.050 61.884 1.00 0.00 ATOM 114 CG PRO 17 14.766 31.216 63.094 1.00 0.00 ATOM 115 CD PRO 17 13.479 31.299 63.871 1.00 0.00 ATOM 116 O PRO 17 13.028 29.238 60.983 1.00 0.00 ATOM 117 C PRO 17 13.086 30.388 60.554 1.00 0.00 ATOM 118 N LEU 18 13.173 30.673 59.261 1.00 0.00 ATOM 119 CA LEU 18 13.193 29.631 58.243 1.00 0.00 ATOM 120 CB LEU 18 12.080 29.888 57.228 1.00 0.00 ATOM 121 CG LEU 18 10.695 29.936 57.866 1.00 0.00 ATOM 122 CD1 LEU 18 9.687 30.560 56.929 1.00 0.00 ATOM 123 CD2 LEU 18 10.295 28.521 58.256 1.00 0.00 ATOM 124 O LEU 18 15.219 30.595 57.390 1.00 0.00 ATOM 125 C LEU 18 14.532 29.578 57.530 1.00 0.00 ATOM 126 N VAL 19 14.904 28.383 57.084 1.00 0.00 ATOM 127 CA VAL 19 16.158 28.195 56.363 1.00 0.00 ATOM 128 CB VAL 19 16.877 26.907 56.814 1.00 0.00 ATOM 129 CG1 VAL 19 18.174 26.735 56.036 1.00 0.00 ATOM 130 CG2 VAL 19 17.162 26.971 58.300 1.00 0.00 ATOM 131 O VAL 19 15.015 27.280 54.462 1.00 0.00 ATOM 132 C VAL 19 15.843 28.095 54.872 1.00 0.00 ATOM 133 N PHE 20 16.497 28.925 54.066 1.00 0.00 ATOM 134 CA PHE 20 16.248 28.919 52.632 1.00 0.00 ATOM 135 CB PHE 20 16.621 30.276 52.016 1.00 0.00 ATOM 136 CG PHE 20 16.533 30.315 50.513 1.00 0.00 ATOM 137 CD1 PHE 20 17.675 30.524 49.743 1.00 0.00 ATOM 138 CD2 PHE 20 15.313 30.134 49.864 1.00 0.00 ATOM 139 CE1 PHE 20 17.605 30.563 48.343 1.00 0.00 ATOM 140 CE2 PHE 20 15.230 30.171 48.463 1.00 0.00 ATOM 141 CZ PHE 20 16.383 30.382 47.706 1.00 0.00 ATOM 142 O PHE 20 18.245 27.720 52.105 1.00 0.00 ATOM 143 C PHE 20 17.029 27.811 51.955 1.00 0.00 ATOM 144 N ASP 21 16.310 26.960 51.230 1.00 0.00 ATOM 145 CA ASP 21 16.923 25.861 50.491 1.00 0.00 ATOM 146 CB ASP 21 16.152 24.557 50.705 1.00 0.00 ATOM 147 CG ASP 21 16.861 23.354 50.090 1.00 0.00 ATOM 148 OD1 ASP 21 17.509 23.519 49.037 1.00 0.00 ATOM 149 OD2 ASP 21 16.762 22.246 50.652 1.00 0.00 ATOM 150 O ASP 21 15.827 26.195 48.385 1.00 0.00 ATOM 151 C ASP 21 16.881 26.240 49.017 1.00 0.00 ATOM 152 N LYS 22 18.033 26.619 48.479 1.00 0.00 ATOM 153 CA LYS 22 18.146 27.029 47.083 1.00 0.00 ATOM 154 CB LYS 22 19.578 27.502 46.817 1.00 0.00 ATOM 155 CG LYS 22 19.873 27.970 45.395 1.00 0.00 ATOM 156 CD LYS 22 21.366 28.276 45.262 1.00 0.00 ATOM 157 CE LYS 22 21.738 28.841 43.896 1.00 0.00 ATOM 158 NZ LYS 22 23.191 29.186 43.839 1.00 0.00 ATOM 159 O LYS 22 17.048 26.184 45.116 1.00 0.00 ATOM 160 C LYS 22 17.767 25.930 46.086 1.00 0.00 ATOM 161 N SER 23 18.243 24.715 46.331 1.00 0.00 ATOM 162 CA SER 23 17.981 23.589 45.438 1.00 0.00 ATOM 163 CB SER 23 18.815 22.381 45.869 1.00 0.00 ATOM 164 OG SER 23 18.432 21.933 47.154 1.00 0.00 ATOM 165 O SER 23 16.081 22.767 44.233 1.00 0.00 ATOM 166 C SER 23 16.514 23.175 45.307 1.00 0.00 ATOM 167 N LYS 24 15.749 23.265 46.389 1.00 0.00 ATOM 168 CA LYS 24 14.337 22.890 46.335 1.00 0.00 ATOM 169 CB LYS 24 13.988 21.960 47.500 1.00 0.00 ATOM 170 CG LYS 24 14.502 20.545 47.344 1.00 0.00 ATOM 171 CD LYS 24 14.258 19.732 48.606 1.00 0.00 ATOM 172 CE LYS 24 14.671 18.281 48.417 1.00 0.00 ATOM 173 NZ LYS 24 13.866 17.631 47.346 1.00 0.00 ATOM 174 O LYS 24 12.199 23.966 46.379 1.00 0.00 ATOM 175 C LYS 24 13.423 24.106 46.380 1.00 0.00 ATOM 176 N ASP 25 14.031 25.290 46.392 1.00 0.00 ATOM 177 CA ASP 25 13.311 26.557 46.484 1.00 0.00 ATOM 178 CB ASP 25 12.746 26.995 45.121 1.00 0.00 ATOM 179 CG ASP 25 11.758 26.007 44.542 1.00 0.00 ATOM 180 OD1 ASP 25 12.198 24.947 44.050 1.00 0.00 ATOM 181 OD2 ASP 25 10.539 26.293 44.579 1.00 0.00 ATOM 182 O ASP 25 11.013 26.547 47.225 1.00 0.00 ATOM 183 C ASP 25 12.199 26.434 47.525 1.00 0.00 ATOM 184 N GLU 26 12.613 26.177 48.759 1.00 0.00 ATOM 185 CA GLU 26 11.689 26.030 49.877 1.00 0.00 ATOM 186 CB GLU 26 11.494 24.552 50.227 1.00 0.00 ATOM 187 CG GLU 26 10.866 23.709 49.134 1.00 0.00 ATOM 188 CD GLU 26 10.642 22.273 49.571 1.00 0.00 ATOM 189 OE1 GLU 26 11.586 21.664 50.122 1.00 0.00 ATOM 190 OE2 GLU 26 9.527 21.751 49.358 1.00 0.00 ATOM 191 O GLU 26 13.436 27.043 51.165 1.00 0.00 ATOM 192 C GLU 26 12.244 26.743 51.100 1.00 0.00 ATOM 193 N LEU 27 11.367 27.023 52.054 1.00 0.00 ATOM 194 CA LEU 27 11.766 27.657 53.309 1.00 0.00 ATOM 195 CB LEU 27 10.957 28.934 53.551 1.00 0.00 ATOM 196 CG LEU 27 11.230 30.062 52.555 1.00 0.00 ATOM 197 CD1 LEU 27 10.395 31.283 52.924 1.00 0.00 ATOM 198 CD2 LEU 27 12.717 30.410 52.563 1.00 0.00 ATOM 199 O LEU 27 10.317 26.202 54.548 1.00 0.00 ATOM 200 C LEU 27 11.466 26.603 54.367 1.00 0.00 ATOM 201 N ILE 28 12.514 26.156 55.051 1.00 0.00 ATOM 202 CA ILE 28 12.415 25.096 56.041 1.00 0.00 ATOM 203 CB ILE 28 13.608 24.115 55.880 1.00 0.00 ATOM 204 CG1 ILE 28 13.649 23.582 54.446 1.00 0.00 ATOM 205 CG2 ILE 28 13.495 22.945 56.878 1.00 0.00 ATOM 206 CD1 ILE 28 14.855 22.693 54.149 1.00 0.00 ATOM 207 O ILE 28 13.106 26.417 57.926 1.00 0.00 ATOM 208 C ILE 28 12.370 25.528 57.501 1.00 0.00 ATOM 209 N CYS 29 11.489 24.897 58.269 1.00 0.00 ATOM 210 CA CYS 29 11.442 25.177 59.693 1.00 0.00 ATOM 211 CB CYS 29 10.022 25.299 60.228 1.00 0.00 ATOM 212 SG CYS 29 10.035 25.321 62.054 1.00 0.00 ATOM 213 O CYS 29 11.540 22.874 60.334 1.00 0.00 ATOM 214 C CYS 29 12.102 23.967 60.333 1.00 0.00 ATOM 215 N LYS 30 13.300 24.173 60.863 1.00 0.00 ATOM 216 CA LYS 30 14.058 23.104 61.491 1.00 0.00 ATOM 217 CB LYS 30 15.414 23.654 61.954 1.00 0.00 ATOM 218 CG LYS 30 16.318 22.667 62.674 1.00 0.00 ATOM 219 CD LYS 30 16.795 21.555 61.758 1.00 0.00 ATOM 220 CE LYS 30 17.815 20.665 62.461 1.00 0.00 ATOM 221 NZ LYS 30 19.043 21.413 62.855 1.00 0.00 ATOM 222 O LYS 30 13.103 21.267 62.705 1.00 0.00 ATOM 223 C LYS 30 13.300 22.481 62.661 1.00 0.00 ATOM 224 N GLY 31 12.865 23.321 63.595 1.00 0.00 ATOM 225 CA GLY 31 12.148 22.848 64.768 1.00 0.00 ATOM 226 O GLY 31 10.508 21.216 65.371 1.00 0.00 ATOM 227 C GLY 31 10.881 22.043 64.535 1.00 0.00 ATOM 228 N ASP 32 10.211 22.274 63.410 1.00 0.00 ATOM 229 CA ASP 32 8.982 21.550 63.101 1.00 0.00 ATOM 230 CB ASP 32 7.877 22.537 62.723 1.00 0.00 ATOM 231 CG ASP 32 7.201 23.148 63.938 1.00 0.00 ATOM 232 OD1 ASP 32 6.759 24.310 63.851 1.00 0.00 ATOM 233 OD2 ASP 32 7.094 22.462 64.976 1.00 0.00 ATOM 234 O ASP 32 8.257 19.762 61.683 1.00 0.00 ATOM 235 C ASP 32 9.168 20.529 61.985 1.00 0.00 ATOM 236 N ARG 33 10.350 20.525 61.378 1.00 0.00 ATOM 237 CA ARG 33 10.655 19.596 60.300 1.00 0.00 ATOM 238 CB ARG 33 10.706 18.169 60.841 1.00 0.00 ATOM 239 O ARG 33 9.055 18.703 58.740 1.00 0.00 ATOM 240 C ARG 33 9.619 19.704 59.189 1.00 0.00 ATOM 241 N LEU 34 9.380 20.935 58.754 1.00 0.00 ATOM 242 CA LEU 34 8.427 21.221 57.696 1.00 0.00 ATOM 243 CB LEU 34 7.206 21.951 58.264 1.00 0.00 ATOM 244 CG LEU 34 6.303 21.226 59.265 1.00 0.00 ATOM 245 CD1 LEU 34 5.215 22.177 59.730 1.00 0.00 ATOM 246 CD2 LEU 34 5.684 19.986 58.617 1.00 0.00 ATOM 247 O LEU 34 9.939 22.943 56.973 1.00 0.00 ATOM 248 C LEU 34 9.090 22.107 56.645 1.00 0.00 ATOM 249 N ALA 35 8.701 21.918 55.388 1.00 0.00 ATOM 250 CA ALA 35 9.234 22.719 54.290 1.00 0.00 ATOM 251 CB ALA 35 9.961 21.832 53.278 1.00 0.00 ATOM 252 O ALA 35 7.122 22.795 53.155 1.00 0.00 ATOM 253 C ALA 35 8.074 23.433 53.608 1.00 0.00 ATOM 254 N PHE 36 8.146 24.757 53.548 1.00 0.00 ATOM 255 CA PHE 36 7.103 25.536 52.902 1.00 0.00 ATOM 256 CB PHE 36 6.819 26.816 53.695 1.00 0.00 ATOM 257 CG PHE 36 6.297 26.548 55.068 1.00 0.00 ATOM 258 CD1 PHE 36 7.163 26.166 56.087 1.00 0.00 ATOM 259 CD2 PHE 36 4.930 26.589 55.328 1.00 0.00 ATOM 260 CE1 PHE 36 6.677 25.822 57.340 1.00 0.00 ATOM 261 CE2 PHE 36 4.435 26.245 56.579 1.00 0.00 ATOM 262 CZ PHE 36 5.309 25.859 57.587 1.00 0.00 ATOM 263 O PHE 36 8.728 26.149 51.262 1.00 0.00 ATOM 264 C PHE 36 7.562 25.856 51.493 1.00 0.00 ATOM 265 N PRO 37 6.642 25.796 50.527 1.00 0.00 ATOM 266 CA PRO 37 7.019 26.081 49.147 1.00 0.00 ATOM 267 CB PRO 37 5.957 25.338 48.353 1.00 0.00 ATOM 268 CG PRO 37 4.726 25.566 49.196 1.00 0.00 ATOM 269 CD PRO 37 5.237 25.354 50.620 1.00 0.00 ATOM 270 O PRO 37 6.427 28.392 49.422 1.00 0.00 ATOM 271 C PRO 37 7.066 27.554 48.787 1.00 0.00 ATOM 272 N ILE 38 7.839 27.849 47.755 1.00 0.00 ATOM 273 CA ILE 38 7.962 29.191 47.223 1.00 0.00 ATOM 274 CB ILE 38 9.436 29.639 47.164 1.00 0.00 ATOM 275 CG1 ILE 38 10.028 29.656 48.584 1.00 0.00 ATOM 276 CG2 ILE 38 9.535 31.031 46.514 1.00 0.00 ATOM 277 CD1 ILE 38 11.535 29.894 48.624 1.00 0.00 ATOM 278 O ILE 38 7.968 28.315 44.990 1.00 0.00 ATOM 279 C ILE 38 7.397 29.027 45.817 1.00 0.00 ATOM 280 N LYS 39 6.250 29.645 45.564 1.00 0.00 ATOM 281 CA LYS 39 5.603 29.541 44.261 1.00 0.00 ATOM 282 CB LYS 39 4.158 29.069 44.436 1.00 0.00 ATOM 283 CG LYS 39 4.045 27.696 45.094 1.00 0.00 ATOM 284 CD LYS 39 2.611 27.195 45.115 1.00 0.00 ATOM 285 CE LYS 39 2.525 25.824 45.771 1.00 0.00 ATOM 286 NZ LYS 39 1.145 25.271 45.739 1.00 0.00 ATOM 287 O LYS 39 5.246 31.900 44.109 1.00 0.00 ATOM 288 C LYS 39 5.636 30.883 43.545 1.00 0.00 ATOM 289 N ASP 40 6.111 30.884 42.306 1.00 0.00 ATOM 290 CA ASP 40 6.203 32.123 41.540 1.00 0.00 ATOM 291 CB ASP 40 4.804 32.670 41.252 1.00 0.00 ATOM 292 O ASP 40 6.688 34.323 42.360 1.00 0.00 ATOM 293 C ASP 40 7.006 33.140 42.348 1.00 0.00 ATOM 294 N GLY 41 8.040 32.665 43.033 1.00 0.00 ATOM 295 CA GLY 41 8.867 33.547 43.838 1.00 0.00 ATOM 296 O GLY 41 8.709 34.944 45.772 1.00 0.00 ATOM 297 C GLY 41 8.201 34.033 45.115 1.00 0.00 ATOM 298 N ILE 42 7.077 33.422 45.485 1.00 0.00 ATOM 299 CA ILE 42 6.361 33.826 46.688 1.00 0.00 ATOM 300 CB ILE 42 4.927 34.274 46.355 1.00 0.00 ATOM 301 CG1 ILE 42 4.974 35.501 45.436 1.00 0.00 ATOM 302 CG2 ILE 42 4.164 34.594 47.639 1.00 0.00 ATOM 303 CD1 ILE 42 3.616 36.019 45.042 1.00 0.00 ATOM 304 O ILE 42 5.657 31.703 47.569 1.00 0.00 ATOM 305 C ILE 42 6.282 32.743 47.762 1.00 0.00 ATOM 306 N PRO 43 6.915 32.985 48.920 1.00 0.00 ATOM 307 CA PRO 43 6.874 31.988 49.994 1.00 0.00 ATOM 308 CB PRO 43 7.762 32.607 51.069 1.00 0.00 ATOM 309 CG PRO 43 8.754 33.407 50.256 1.00 0.00 ATOM 310 CD PRO 43 7.836 34.082 49.261 1.00 0.00 ATOM 311 O PRO 43 4.758 32.744 50.857 1.00 0.00 ATOM 312 C PRO 43 5.434 31.787 50.466 1.00 0.00 ATOM 313 N MET 44 4.967 30.543 50.418 1.00 0.00 ATOM 314 CA MET 44 3.607 30.226 50.831 1.00 0.00 ATOM 315 CB MET 44 3.082 29.046 50.010 1.00 0.00 ATOM 316 CG MET 44 3.142 29.270 48.505 1.00 0.00 ATOM 317 SD MET 44 2.156 30.840 47.937 1.00 0.00 ATOM 318 CE MET 44 0.364 30.114 47.963 1.00 0.00 ATOM 319 O MET 44 3.563 28.733 52.716 1.00 0.00 ATOM 320 C MET 44 3.562 29.897 52.322 1.00 0.00 ATOM 321 N MET 45 3.507 30.940 53.143 1.00 0.00 ATOM 322 CA MET 45 3.484 30.791 54.591 1.00 0.00 ATOM 323 CB MET 45 3.869 32.122 55.238 1.00 0.00 ATOM 324 CG MET 45 5.205 32.658 54.773 1.00 0.00 ATOM 325 SD MET 45 6.675 31.584 55.400 1.00 0.00 ATOM 326 CE MET 45 6.841 30.338 53.999 1.00 0.00 ATOM 327 O MET 45 1.451 31.065 55.845 1.00 0.00 ATOM 328 C MET 45 2.131 30.326 55.133 1.00 0.00 ATOM 329 N LEU 46 1.754 29.098 54.790 1.00 0.00 ATOM 330 CA LEU 46 0.497 28.506 55.228 1.00 0.00 ATOM 331 CB LEU 46 -0.527 28.522 54.093 1.00 0.00 ATOM 332 CG LEU 46 -1.145 29.872 53.732 1.00 0.00 ATOM 333 CD1 LEU 46 -1.938 29.741 52.430 1.00 0.00 ATOM 334 CD2 LEU 46 -2.034 30.343 54.878 1.00 0.00 ATOM 335 O LEU 46 1.371 26.305 54.957 1.00 0.00 ATOM 336 C LEU 46 0.736 27.069 55.665 1.00 0.00 ATOM 337 N GLU 47 0.217 26.704 56.832 1.00 0.00 ATOM 338 CA GLU 47 0.388 25.352 57.347 1.00 0.00 ATOM 339 CB GLU 47 -0.380 25.201 58.662 1.00 0.00 ATOM 340 CG GLU 47 -0.402 23.790 59.219 1.00 0.00 ATOM 341 CD GLU 47 -0.788 23.745 60.688 1.00 0.00 ATOM 342 OE1 GLU 47 -1.719 24.475 61.091 1.00 0.00 ATOM 343 OE2 GLU 47 -0.165 22.963 61.438 1.00 0.00 ATOM 344 O GLU 47 0.604 23.288 56.127 1.00 0.00 ATOM 345 C GLU 47 -0.063 24.302 56.326 1.00 0.00 ATOM 346 N SER 48 -1.182 24.565 55.663 1.00 0.00 ATOM 347 CA SER 48 -1.723 23.652 54.658 1.00 0.00 ATOM 348 CB SER 48 -3.017 24.232 54.090 1.00 0.00 ATOM 349 OG SER 48 -2.764 25.476 53.458 1.00 0.00 ATOM 350 O SER 48 -0.838 22.305 52.871 1.00 0.00 ATOM 351 C SER 48 -0.761 23.361 53.499 1.00 0.00 ATOM 352 N GLU 49 0.134 24.307 53.216 1.00 0.00 ATOM 353 CA GLU 49 1.094 24.176 52.122 1.00 0.00 ATOM 354 CB GLU 49 1.475 25.571 51.603 1.00 0.00 ATOM 355 CG GLU 49 0.329 26.352 50.980 1.00 0.00 ATOM 356 CD GLU 49 0.092 25.983 49.529 1.00 0.00 ATOM 357 OE1 GLU 49 -0.870 26.511 48.929 1.00 0.00 ATOM 358 OE2 GLU 49 0.871 25.172 48.985 1.00 0.00 ATOM 359 O GLU 49 3.088 22.962 51.610 1.00 0.00 ATOM 360 C GLU 49 2.374 23.424 52.488 1.00 0.00 ATOM 361 N ALA 50 2.658 23.306 53.781 1.00 0.00 ATOM 362 CA ALA 50 3.874 22.644 54.246 1.00 0.00 ATOM 363 CB ALA 50 4.114 22.980 55.709 1.00 0.00 ATOM 364 O ALA 50 2.896 20.446 54.163 1.00 0.00 ATOM 365 C ALA 50 3.910 21.133 54.062 1.00 0.00 ATOM 366 N ARG 51 5.104 20.624 53.794 1.00 0.00 ATOM 367 CA ARG 51 5.300 19.192 53.625 1.00 0.00 ATOM 368 CB ARG 51 5.926 18.895 52.264 1.00 0.00 ATOM 369 CG ARG 51 7.307 19.491 52.121 1.00 0.00 ATOM 370 CD ARG 51 8.111 18.860 51.003 1.00 0.00 ATOM 371 NE ARG 51 9.528 19.145 51.201 1.00 0.00 ATOM 372 CZ ARG 51 10.508 18.708 50.421 1.00 0.00 ATOM 373 NH1 ARG 51 10.241 17.955 49.364 1.00 0.00 ATOM 374 NH2 ARG 51 11.762 19.024 50.708 1.00 0.00 ATOM 375 O ARG 51 7.176 19.513 55.073 1.00 0.00 ATOM 376 C ARG 51 6.267 18.763 54.724 1.00 0.00 ATOM 377 N GLU 52 6.068 17.572 55.280 1.00 0.00 ATOM 378 CA GLU 52 6.967 17.071 56.315 1.00 0.00 ATOM 379 CB GLU 52 6.379 15.851 57.003 1.00 0.00 ATOM 380 CG GLU 52 5.115 16.106 57.769 1.00 0.00 ATOM 381 CD GLU 52 4.704 14.899 58.579 1.00 0.00 ATOM 382 OE1 GLU 52 5.545 14.380 59.346 1.00 0.00 ATOM 383 OE2 GLU 52 3.541 14.471 58.448 1.00 0.00 ATOM 384 O GLU 52 8.231 16.169 54.503 1.00 0.00 ATOM 385 C GLU 52 8.264 16.654 55.633 1.00 0.00 ATOM 386 N LEU 53 9.394 16.840 56.316 1.00 0.00 ATOM 387 CA LEU 53 10.699 16.481 55.767 1.00 0.00 ATOM 388 CB LEU 53 11.830 17.193 56.510 1.00 0.00 ATOM 389 CG LEU 53 11.906 18.716 56.541 1.00 0.00 ATOM 390 CD1 LEU 53 13.079 19.070 57.423 1.00 0.00 ATOM 391 CD2 LEU 53 12.007 19.320 55.139 1.00 0.00 ATOM 392 O LEU 53 10.369 14.300 56.736 1.00 0.00 ATOM 393 C LEU 53 10.917 14.978 55.858 1.00 0.00 ATOM 394 N ALA 54 11.660 14.446 54.897 1.00 0.00 ATOM 395 CA ALA 54 11.951 13.030 54.912 1.00 0.00 ATOM 396 CB ALA 54 12.315 12.562 53.522 1.00 0.00 ATOM 397 O ALA 54 13.861 13.963 56.110 1.00 0.00 ATOM 398 C ALA 54 13.176 12.960 55.856 1.00 0.00 ATOM 399 N PRO 55 13.469 11.782 56.404 1.00 0.00 ATOM 400 CA PRO 55 14.633 11.743 57.290 1.00 0.00 ATOM 401 CB PRO 55 14.518 10.394 58.008 1.00 0.00 ATOM 402 CG PRO 55 13.384 9.626 57.299 1.00 0.00 ATOM 403 CD PRO 55 12.955 10.441 56.098 1.00 0.00 ATOM 404 O PRO 55 16.955 12.209 57.074 1.00 0.00 ATOM 405 C PRO 55 15.924 11.868 56.500 1.00 0.00 ATOM 406 N GLU 56 15.854 11.594 55.196 1.00 0.00 ATOM 407 CA GLU 56 17.008 11.695 54.321 1.00 0.00 ATOM 408 CB GLU 56 16.707 11.024 52.981 1.00 0.00 ATOM 409 CG GLU 56 15.431 11.526 52.337 1.00 0.00 ATOM 410 CD GLU 56 14.755 10.485 51.478 1.00 0.00 ATOM 411 OE1 GLU 56 15.124 10.367 50.288 1.00 0.00 ATOM 412 OE2 GLU 56 13.854 9.787 52.001 1.00 0.00 ATOM 413 O GLU 56 18.388 13.536 53.636 1.00 0.00 ATOM 414 C GLU 56 17.311 13.172 54.116 1.00 0.00 ATOM 415 N GLU 57 16.351 14.016 54.485 1.00 0.00 ATOM 416 CA GLU 57 16.508 15.454 54.357 1.00 0.00 ATOM 417 CB GLU 57 15.208 16.103 53.891 1.00 0.00 ATOM 418 CG GLU 57 14.721 15.635 52.543 1.00 0.00 ATOM 419 CD GLU 57 13.489 16.393 52.091 1.00 0.00 ATOM 420 OE1 GLU 57 13.646 17.469 51.469 1.00 0.00 ATOM 421 OE2 GLU 57 12.369 15.916 52.374 1.00 0.00 ATOM 422 O GLU 57 17.538 17.153 55.658 1.00 0.00 ATOM 423 C GLU 57 16.924 16.091 55.674 1.00 0.00 ATOM 424 N GLU 58 16.567 15.482 56.804 1.00 0.00 ATOM 425 CA GLU 58 16.950 16.034 58.097 1.00 0.00 ATOM 426 CB GLU 58 16.271 15.256 59.226 1.00 0.00 ATOM 427 CG GLU 58 15.041 15.947 59.787 1.00 0.00 ATOM 428 CD GLU 58 14.299 15.104 60.799 1.00 0.00 ATOM 429 OE1 GLU 58 13.430 14.309 60.385 1.00 0.00 ATOM 430 OE2 GLU 58 14.592 15.236 62.005 1.00 0.00 ATOM 431 O GLU 58 19.070 16.741 58.979 1.00 0.00 ATOM 432 C GLU 58 18.468 15.962 58.242 1.00 0.00 ATOM 433 N VAL 59 19.086 15.033 57.517 1.00 0.00 ATOM 434 CA VAL 59 20.535 14.858 57.584 1.00 0.00 ATOM 435 CB VAL 59 21.031 13.692 56.666 1.00 0.00 ATOM 436 CG1 VAL 59 20.325 12.405 57.027 1.00 0.00 ATOM 437 CG2 VAL 59 20.802 14.025 55.206 1.00 0.00 ATOM 438 O VAL 59 22.323 16.401 57.952 1.00 0.00 ATOM 439 C VAL 59 21.358 16.105 57.253 1.00 0.00 ATOM 440 N LYS 60 20.986 16.844 56.207 1.00 0.00 ATOM 441 CA LYS 60 21.760 18.029 55.823 1.00 0.00 ATOM 442 CB LYS 60 21.469 18.425 54.372 1.00 0.00 ATOM 443 CG LYS 60 20.078 18.949 54.106 1.00 0.00 ATOM 444 CD LYS 60 19.972 19.400 52.663 1.00 0.00 ATOM 445 CE LYS 60 18.542 19.729 52.286 1.00 0.00 ATOM 446 NZ LYS 60 18.423 20.043 50.835 1.00 0.00 ATOM 447 O LYS 60 22.423 20.184 56.636 1.00 0.00 ATOM 448 C LYS 60 21.614 19.260 56.715 1.00 0.00 ATOM 449 N LEU 61 20.586 19.290 57.552 1.00 0.00 ATOM 450 CA LEU 61 20.405 20.417 58.455 1.00 0.00 ATOM 451 CB LEU 61 18.916 20.686 58.669 1.00 0.00 ATOM 452 CG LEU 61 18.151 20.866 57.351 1.00 0.00 ATOM 453 CD1 LEU 61 16.658 20.906 57.610 1.00 0.00 ATOM 454 CD2 LEU 61 18.616 22.135 56.656 1.00 0.00 ATOM 455 O LEU 61 21.144 20.731 60.722 1.00 0.00 ATOM 456 C LEU 61 21.080 19.981 59.745 1.00 0.00 ATOM 457 N GLU 62 21.591 18.748 59.702 1.00 0.00 ATOM 458 CA GLU 62 22.299 18.089 60.801 1.00 0.00 ATOM 459 CB GLU 62 23.142 19.095 61.584 1.00 0.00 ATOM 460 CG GLU 62 24.478 19.348 60.921 1.00 0.00 ATOM 461 CD GLU 62 25.166 20.586 61.439 1.00 0.00 ATOM 462 OE1 GLU 62 25.457 20.653 62.655 1.00 0.00 ATOM 463 OE2 GLU 62 25.413 21.492 60.616 1.00 0.00 ATOM 464 O GLU 62 20.811 17.894 62.655 1.00 0.00 ATOM 465 C GLU 62 21.416 17.289 61.747 1.00 0.00 ENDMDL # command:# Prefix for output files set to decoys/ # command:# request to SCWRL produces command: ulimit -t 62 ; scwrl3 -i /var/tmp/to_scwrl_1775646467.pdb -s /var/tmp/to_scwrl_1775646467.seq -o /var/tmp/from_scwrl_1775646467.pdb > /var/tmp/scwrl_1775646467.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1775646467.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 # command:Warning: Couldn't open file decoys/model2.gdt for output # fraction of real conformation used = 1.000 # GDT_score = -58.197 # GDT_score(maxd=8.000,maxw=2.900)= -58.810 # GDT_score(maxd=8.000,maxw=3.200)= -57.413 # GDT_score(maxd=8.000,maxw=3.500)= -55.991 # GDT_score(maxd=10.000,maxw=3.800)= -57.868 # GDT_score(maxd=10.000,maxw=4.000)= -56.746 # GDT_score(maxd=10.000,maxw=4.200)= -55.583 # GDT_score(maxd=12.000,maxw=4.300)= -57.982 # GDT_score(maxd=12.000,maxw=4.500)= -56.815 # GDT_score(maxd=12.000,maxw=4.700)= -55.593 # GDT_score(maxd=14.000,maxw=5.200)= -55.076 # GDT_score(maxd=14.000,maxw=5.500)= -53.222 # command:# request to SCWRL produces command: ulimit -t 62 ; scwrl3 -i /var/tmp/to_scwrl_823108048.pdb -s /var/tmp/to_scwrl_823108048.seq -o /var/tmp/from_scwrl_823108048.pdb > /var/tmp/scwrl_823108048.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_823108048.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 41 # 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 = -56.148 # GDT_score(maxd=8.000,maxw=2.900)= -58.102 # GDT_score(maxd=8.000,maxw=3.200)= -55.645 # GDT_score(maxd=8.000,maxw=3.500)= -53.081 # GDT_score(maxd=10.000,maxw=3.800)= -55.584 # GDT_score(maxd=10.000,maxw=4.000)= -53.863 # GDT_score(maxd=10.000,maxw=4.200)= -52.152 # GDT_score(maxd=12.000,maxw=4.300)= -55.380 # GDT_score(maxd=12.000,maxw=4.500)= -53.689 # GDT_score(maxd=12.000,maxw=4.700)= -52.048 # GDT_score(maxd=14.000,maxw=5.200)= -51.338 # GDT_score(maxd=14.000,maxw=5.500)= -49.108 # command:# request to SCWRL produces command: ulimit -t 62 ; scwrl3 -i /var/tmp/to_scwrl_1360637834.pdb -s /var/tmp/to_scwrl_1360637834.seq -o /var/tmp/from_scwrl_1360637834.pdb > /var/tmp/scwrl_1360637834.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1360637834.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 51 # 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 = -58.607 # GDT_score(maxd=8.000,maxw=2.900)= -58.608 # GDT_score(maxd=8.000,maxw=3.200)= -57.028 # GDT_score(maxd=8.000,maxw=3.500)= -55.242 # GDT_score(maxd=10.000,maxw=3.800)= -57.316 # GDT_score(maxd=10.000,maxw=4.000)= -56.080 # GDT_score(maxd=10.000,maxw=4.200)= -54.821 # GDT_score(maxd=12.000,maxw=4.300)= -57.461 # GDT_score(maxd=12.000,maxw=4.500)= -56.204 # GDT_score(maxd=12.000,maxw=4.700)= -54.865 # GDT_score(maxd=14.000,maxw=5.200)= -54.395 # GDT_score(maxd=14.000,maxw=5.500)= -52.516 # command:# request to SCWRL produces command: ulimit -t 62 ; scwrl3 -i /var/tmp/to_scwrl_459542199.pdb -s /var/tmp/to_scwrl_459542199.seq -o /var/tmp/from_scwrl_459542199.pdb > /var/tmp/scwrl_459542199.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_459542199.pdb # conformation set from SCWRL output # command:# naming current conformation model4-scwrl # command:# ReadConformPDB reading from PDB file model5.ts-submitted looking for model 1 # Found a chain break before 65 # copying to AlignedFragments data structure # command:Warning: Couldn't open file decoys/model5.gdt for output # fraction of real conformation used = 1.000 # GDT_score = -49.590 # GDT_score(maxd=8.000,maxw=2.900)= -47.161 # GDT_score(maxd=8.000,maxw=3.200)= -44.633 # GDT_score(maxd=8.000,maxw=3.500)= -42.352 # GDT_score(maxd=10.000,maxw=3.800)= -46.447 # GDT_score(maxd=10.000,maxw=4.000)= -44.930 # GDT_score(maxd=10.000,maxw=4.200)= -43.457 # GDT_score(maxd=12.000,maxw=4.300)= -47.963 # GDT_score(maxd=12.000,maxw=4.500)= -46.440 # GDT_score(maxd=12.000,maxw=4.700)= -44.991 # GDT_score(maxd=14.000,maxw=5.200)= -45.546 # GDT_score(maxd=14.000,maxw=5.500)= -43.529 # command:# request to SCWRL produces command: ulimit -t 62 ; scwrl3 -i /var/tmp/to_scwrl_780033268.pdb -s /var/tmp/to_scwrl_780033268.seq -o /var/tmp/from_scwrl_780033268.pdb > /var/tmp/scwrl_780033268.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_780033268.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 T0348.try1-opt2.pdb looking for model 1 # Found a chain break before 45 # 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 = -59.016 # GDT_score(maxd=8.000,maxw=2.900)= -58.736 # GDT_score(maxd=8.000,maxw=3.200)= -57.185 # GDT_score(maxd=8.000,maxw=3.500)= -55.385 # GDT_score(maxd=10.000,maxw=3.800)= -57.511 # GDT_score(maxd=10.000,maxw=4.000)= -56.250 # GDT_score(maxd=10.000,maxw=4.200)= -54.982 # GDT_score(maxd=12.000,maxw=4.300)= -57.674 # GDT_score(maxd=12.000,maxw=4.500)= -56.423 # GDT_score(maxd=12.000,maxw=4.700)= -55.147 # GDT_score(maxd=14.000,maxw=5.200)= -54.682 # GDT_score(maxd=14.000,maxw=5.500)= -52.772 # command:# Prefix for output files set to # command:Warning: Couldn't open file T0348.try1-real.pdb for output Error: Couldn't open file T0348.try1-real.pdb for output superimposing iter= 0 total_weight= 709 rmsd (weighted)= 12.4797 (unweighted)= 24.8261 superimposing iter= 1 total_weight= 1278.73 rmsd (weighted)= 6.75912 (unweighted)= 25.476 superimposing iter= 2 total_weight= 793.96 rmsd (weighted)= 4.61001 (unweighted)= 26.5411 superimposing iter= 3 total_weight= 823.517 rmsd (weighted)= 2.92943 (unweighted)= 27.7419 superimposing iter= 4 total_weight= 1068.22 rmsd (weighted)= 1.71212 (unweighted)= 28.3637 superimposing iter= 5 total_weight= 968.295 rmsd (weighted)= 1.10672 (unweighted)= 28.6807 EXPDTA T0348.try1-opt2.pdb MODEL 1 REMARK 44 REMARK 44 model 1 is called T0348.try1-opt2.pdb ATOM 1 N MET A 1 3.785 45.328 51.607 1.00 0.00 ATOM 2 CA MET A 1 4.495 45.838 52.780 1.00 0.00 ATOM 3 CB MET A 1 3.651 45.629 54.029 1.00 0.00 ATOM 4 CG MET A 1 4.238 46.234 55.293 1.00 0.00 ATOM 5 SD MET A 1 2.988 46.452 56.587 1.00 0.00 ATOM 6 CE MET A 1 2.796 44.811 57.128 1.00 0.00 ATOM 7 O MET A 1 5.692 43.747 52.766 1.00 0.00 ATOM 8 C MET A 1 5.705 44.941 53.082 1.00 0.00 ATOM 9 N ASP A 2 6.728 45.528 53.716 1.00 0.00 ATOM 10 CA ASP A 2 7.965 44.824 54.024 1.00 0.00 ATOM 11 CB ASP A 2 9.015 45.796 54.563 1.00 0.00 ATOM 12 CG ASP A 2 9.570 46.709 53.488 1.00 0.00 ATOM 13 OD1 ASP A 2 9.335 46.430 52.292 1.00 0.00 ATOM 14 OD2 ASP A 2 10.240 47.703 53.839 1.00 0.00 ATOM 15 O ASP A 2 8.586 42.745 55.055 1.00 0.00 ATOM 16 C ASP A 2 7.765 43.660 54.994 1.00 0.00 ATOM 17 N ALA A 3 6.612 43.737 55.771 1.00 0.00 ATOM 18 CA ALA A 3 6.375 42.722 56.794 1.00 0.00 ATOM 19 CB ALA A 3 5.375 43.256 57.808 1.00 0.00 ATOM 20 O ALA A 3 6.030 40.340 56.796 1.00 0.00 ATOM 21 C ALA A 3 5.870 41.405 56.198 1.00 0.00 ATOM 22 N LYS A 4 5.240 41.481 55.040 1.00 0.00 ATOM 23 CA LYS A 4 4.718 40.277 54.417 1.00 0.00 ATOM 24 CB LYS A 4 4.025 40.630 53.099 1.00 0.00 ATOM 25 CG LYS A 4 3.364 39.448 52.410 1.00 0.00 ATOM 26 CD LYS A 4 2.618 39.883 51.160 1.00 0.00 ATOM 27 CE LYS A 4 1.977 38.697 50.457 1.00 0.00 ATOM 28 NZ LYS A 4 1.261 39.107 49.218 1.00 0.00 ATOM 29 O LYS A 4 5.630 38.073 54.400 1.00 0.00 ATOM 30 C LYS A 4 5.811 39.263 54.145 1.00 0.00 ATOM 31 N PHE A 5 6.987 39.725 53.698 1.00 0.00 ATOM 32 CA PHE A 5 8.149 38.875 53.577 1.00 0.00 ATOM 33 CB PHE A 5 9.343 39.653 53.022 1.00 0.00 ATOM 34 CG PHE A 5 10.571 38.815 52.812 1.00 0.00 ATOM 35 CD1 PHE A 5 10.687 37.996 51.703 1.00 0.00 ATOM 36 CD2 PHE A 5 11.611 38.844 53.725 1.00 0.00 ATOM 37 CE1 PHE A 5 11.816 37.224 51.510 1.00 0.00 ATOM 38 CE2 PHE A 5 12.741 38.071 53.533 1.00 0.00 ATOM 39 CZ PHE A 5 12.845 37.264 52.431 1.00 0.00 ATOM 40 O PHE A 5 8.889 37.088 54.976 1.00 0.00 ATOM 41 C PHE A 5 8.561 38.255 54.904 1.00 0.00 ATOM 42 N LEU A 6 8.603 39.087 55.928 1.00 0.00 ATOM 43 CA LEU A 6 8.976 38.559 57.231 1.00 0.00 ATOM 44 CB LEU A 6 8.942 39.665 58.288 1.00 0.00 ATOM 45 CG LEU A 6 10.019 40.747 58.173 1.00 0.00 ATOM 46 CD1 LEU A 6 9.761 41.870 59.165 1.00 0.00 ATOM 47 CD2 LEU A 6 11.395 40.166 58.459 1.00 0.00 ATOM 48 O LEU A 6 8.433 36.478 58.283 1.00 0.00 ATOM 49 C LEU A 6 8.018 37.472 57.677 1.00 0.00 ATOM 50 N GLU A 7 6.742 37.664 57.372 1.00 0.00 ATOM 51 CA GLU A 7 5.738 36.675 57.756 1.00 0.00 ATOM 52 CB GLU A 7 4.338 37.106 57.315 1.00 0.00 ATOM 53 CG GLU A 7 3.794 38.311 58.065 1.00 0.00 ATOM 54 CD GLU A 7 2.461 38.784 57.519 1.00 0.00 ATOM 55 OE1 GLU A 7 1.999 38.216 56.507 1.00 0.00 ATOM 56 OE2 GLU A 7 1.880 39.722 58.103 1.00 0.00 ATOM 57 O GLU A 7 5.934 34.289 57.772 1.00 0.00 ATOM 58 C GLU A 7 6.036 35.324 57.119 1.00 0.00 ATOM 59 N ILE A 8 6.392 35.337 55.835 1.00 0.00 ATOM 60 CA ILE A 8 6.694 34.090 55.148 1.00 0.00 ATOM 61 CB ILE A 8 6.834 34.360 53.610 1.00 0.00 ATOM 62 CG1 ILE A 8 5.472 34.728 53.021 1.00 0.00 ATOM 63 CG2 ILE A 8 7.420 33.132 52.907 1.00 0.00 ATOM 64 CD1 ILE A 8 5.539 35.226 51.597 1.00 0.00 ATOM 65 O ILE A 8 8.012 32.254 55.936 1.00 0.00 ATOM 66 C ILE A 8 7.969 33.460 55.712 1.00 0.00 ATOM 67 N LEU A 9 9.000 34.271 55.949 1.00 0.00 ATOM 68 CA LEU A 9 10.249 33.739 56.479 1.00 0.00 ATOM 69 CB LEU A 9 11.276 34.859 56.655 1.00 0.00 ATOM 70 CG LEU A 9 12.648 34.441 57.189 1.00 0.00 ATOM 71 CD1 LEU A 9 13.320 33.463 56.239 1.00 0.00 ATOM 72 CD2 LEU A 9 13.554 35.652 57.345 1.00 0.00 ATOM 73 O LEU A 9 10.526 31.986 58.092 1.00 0.00 ATOM 74 C LEU A 9 10.008 33.065 57.834 1.00 0.00 ATOM 75 N VAL A 10 9.195 33.689 58.672 1.00 0.00 ATOM 76 CA VAL A 10 8.911 33.117 59.980 1.00 0.00 ATOM 77 CB VAL A 10 8.368 34.181 60.952 1.00 0.00 ATOM 78 CG1 VAL A 10 8.004 33.547 62.286 1.00 0.00 ATOM 79 CG2 VAL A 10 9.413 35.259 61.201 1.00 0.00 ATOM 80 O VAL A 10 6.812 32.224 59.258 1.00 0.00 ATOM 81 C VAL A 10 7.866 32.005 59.829 1.00 0.00 ATOM 82 N CYS A 11 8.205 30.812 60.319 1.00 0.00 ATOM 83 CA CYS A 11 7.298 29.673 60.171 1.00 0.00 ATOM 84 CB CYS A 11 8.029 28.362 60.475 1.00 0.00 ATOM 85 SG CYS A 11 6.953 26.926 60.389 1.00 0.00 ATOM 86 O CYS A 11 6.200 30.058 62.263 1.00 0.00 ATOM 87 C CYS A 11 6.080 29.859 61.058 1.00 0.00 ATOM 88 N PRO A 12 4.888 29.712 60.513 1.00 0.00 ATOM 89 CA PRO A 12 3.684 29.876 61.265 1.00 0.00 ATOM 90 CB PRO A 12 2.525 29.683 60.286 1.00 0.00 ATOM 91 CG PRO A 12 3.132 30.006 58.938 1.00 0.00 ATOM 92 CD PRO A 12 4.627 29.765 59.047 1.00 0.00 ATOM 93 O PRO A 12 3.250 29.599 63.554 1.00 0.00 ATOM 94 C PRO A 12 3.541 29.048 62.490 1.00 0.00 ATOM 95 N LEU A 13 3.724 27.718 62.319 1.00 0.00 ATOM 96 CA LEU A 13 3.603 26.757 63.403 1.00 0.00 ATOM 97 CB LEU A 13 3.700 25.329 62.899 1.00 0.00 ATOM 98 CG LEU A 13 2.429 24.811 62.220 1.00 0.00 ATOM 99 CD1 LEU A 13 2.717 23.484 61.534 1.00 0.00 ATOM 100 CD2 LEU A 13 1.319 24.652 63.252 1.00 0.00 ATOM 101 O LEU A 13 4.455 26.908 65.647 1.00 0.00 ATOM 102 C LEU A 13 4.713 26.926 64.444 1.00 0.00 ATOM 103 N CYS A 14 5.961 27.099 63.964 1.00 0.00 ATOM 104 CA CYS A 14 7.113 27.263 64.865 1.00 0.00 ATOM 105 CB CYS A 14 8.439 27.245 64.080 1.00 0.00 ATOM 106 SG CYS A 14 8.681 25.563 63.382 1.00 0.00 ATOM 107 O CYS A 14 7.337 28.524 66.872 1.00 0.00 ATOM 108 C CYS A 14 6.952 28.514 65.689 1.00 0.00 ATOM 109 N LYS A 15 6.577 30.170 64.936 1.00 0.00 ATOM 110 CA LYS A 15 7.418 31.328 64.752 1.00 0.00 ATOM 111 CB LYS A 15 7.322 32.260 65.961 1.00 0.00 ATOM 112 CG LYS A 15 5.945 32.868 66.169 1.00 0.00 ATOM 113 CD LYS A 15 5.930 33.807 67.365 1.00 0.00 ATOM 114 CE LYS A 15 4.547 34.394 67.587 1.00 0.00 ATOM 115 NZ LYS A 15 4.539 35.391 68.694 1.00 0.00 ATOM 116 O LYS A 15 9.555 32.183 64.317 1.00 0.00 ATOM 117 C LYS A 15 8.901 31.183 64.508 1.00 0.00 ATOM 118 N GLY A 16 9.403 29.960 64.547 1.00 0.00 ATOM 119 CA GLY A 16 10.861 29.841 64.300 1.00 0.00 ATOM 120 O GLY A 16 10.464 30.097 61.943 1.00 0.00 ATOM 121 C GLY A 16 11.213 30.360 62.908 1.00 0.00 ATOM 122 N PRO A 17 12.403 31.079 62.803 1.00 0.00 ATOM 123 CA PRO A 17 12.668 31.638 61.460 1.00 0.00 ATOM 124 CB PRO A 17 13.778 32.665 61.686 1.00 0.00 ATOM 125 CG PRO A 17 14.417 32.203 62.975 1.00 0.00 ATOM 126 CD PRO A 17 13.229 31.802 63.817 1.00 0.00 ATOM 127 O PRO A 17 13.966 29.711 60.840 1.00 0.00 ATOM 128 C PRO A 17 13.082 30.508 60.521 1.00 0.00 ATOM 129 N LEU A 18 12.432 30.449 59.365 1.00 0.00 ATOM 130 CA LEU A 18 12.710 29.424 58.372 1.00 0.00 ATOM 131 CB LEU A 18 11.485 29.219 57.479 1.00 0.00 ATOM 132 CG LEU A 18 10.180 28.858 58.192 1.00 0.00 ATOM 133 CD1 LEU A 18 9.033 28.763 57.197 1.00 0.00 ATOM 134 CD2 LEU A 18 10.307 27.519 58.900 1.00 0.00 ATOM 135 O LEU A 18 14.265 31.061 57.506 1.00 0.00 ATOM 136 C LEU A 18 13.915 29.859 57.525 1.00 0.00 ATOM 137 N VAL A 19 14.556 28.887 56.883 1.00 0.00 ATOM 138 CA VAL A 19 15.706 29.191 56.031 1.00 0.00 ATOM 139 CB VAL A 19 16.833 28.281 56.476 1.00 0.00 ATOM 140 CG1 VAL A 19 18.058 28.413 55.583 1.00 0.00 ATOM 141 CG2 VAL A 19 17.185 28.541 57.931 1.00 0.00 ATOM 142 O VAL A 19 14.693 27.772 54.373 1.00 0.00 ATOM 143 C VAL A 19 15.362 28.782 54.612 1.00 0.00 ATOM 144 N PHE A 20 15.843 29.547 53.645 1.00 0.00 ATOM 145 CA PHE A 20 15.571 29.244 52.242 1.00 0.00 ATOM 146 CB PHE A 20 15.733 30.502 51.386 1.00 0.00 ATOM 147 CG PHE A 20 15.418 30.290 49.932 1.00 0.00 ATOM 148 CD1 PHE A 20 14.108 30.191 49.501 1.00 0.00 ATOM 149 CD2 PHE A 20 16.433 30.190 48.997 1.00 0.00 ATOM 150 CE1 PHE A 20 13.817 29.996 48.163 1.00 0.00 ATOM 151 CE2 PHE A 20 16.143 29.995 47.659 1.00 0.00 ATOM 152 CZ PHE A 20 14.842 29.899 47.240 1.00 0.00 ATOM 153 O PHE A 20 17.782 28.358 51.884 1.00 0.00 ATOM 154 C PHE A 20 16.545 28.194 51.723 1.00 0.00 ATOM 155 N ASP A 21 16.011 27.129 51.165 1.00 0.00 ATOM 156 CA ASP A 21 16.846 26.073 50.560 1.00 0.00 ATOM 157 CB ASP A 21 16.269 24.697 50.898 1.00 0.00 ATOM 158 CG ASP A 21 17.113 23.562 50.352 1.00 0.00 ATOM 159 OD1 ASP A 21 18.101 23.843 49.642 1.00 0.00 ATOM 160 OD2 ASP A 21 16.788 22.390 50.636 1.00 0.00 ATOM 161 O ASP A 21 15.801 26.187 48.437 1.00 0.00 ATOM 162 C ASP A 21 16.831 26.334 49.071 1.00 0.00 ATOM 163 N LYS A 22 17.977 26.738 48.537 1.00 0.00 ATOM 164 CA LYS A 22 18.088 27.041 47.080 1.00 0.00 ATOM 165 CB LYS A 22 19.476 27.596 46.751 1.00 0.00 ATOM 166 CG LYS A 22 19.718 29.007 47.264 1.00 0.00 ATOM 167 CD LYS A 22 21.114 29.492 46.910 1.00 0.00 ATOM 168 CE LYS A 22 21.358 30.899 47.428 1.00 0.00 ATOM 169 NZ LYS A 22 22.733 31.377 47.116 1.00 0.00 ATOM 170 O LYS A 22 17.267 26.004 45.109 1.00 0.00 ATOM 171 C LYS A 22 17.848 25.871 46.187 1.00 0.00 ATOM 172 N SER A 23 18.310 24.673 46.617 1.00 0.00 ATOM 173 CA SER A 23 18.140 23.463 45.835 1.00 0.00 ATOM 174 CB SER A 23 18.892 22.274 46.450 1.00 0.00 ATOM 175 OG SER A 23 18.557 21.067 45.786 1.00 0.00 ATOM 176 O SER A 23 16.267 22.876 44.450 1.00 0.00 ATOM 177 C SER A 23 16.673 23.138 45.586 1.00 0.00 ATOM 178 N LYS A 24 15.875 23.183 46.584 1.00 0.00 ATOM 179 CA LYS A 24 14.456 22.870 46.490 1.00 0.00 ATOM 180 CB LYS A 24 14.018 22.107 47.741 1.00 0.00 ATOM 181 CG LYS A 24 14.759 20.799 47.962 1.00 0.00 ATOM 182 CD LYS A 24 14.248 20.077 49.200 1.00 0.00 ATOM 183 CE LYS A 24 15.007 18.780 49.434 1.00 0.00 ATOM 184 NZ LYS A 24 14.544 18.081 50.665 1.00 0.00 ATOM 185 O LYS A 24 12.314 23.881 46.125 1.00 0.00 ATOM 186 C LYS A 24 13.511 24.059 46.346 1.00 0.00 ATOM 187 N ASP A 25 13.979 25.313 46.493 1.00 0.00 ATOM 188 CA ASP A 25 13.169 26.525 46.410 1.00 0.00 ATOM 189 CB ASP A 25 12.597 26.664 44.997 1.00 0.00 ATOM 190 CG ASP A 25 13.672 26.888 43.953 1.00 0.00 ATOM 191 OD1 ASP A 25 14.510 27.795 44.145 1.00 0.00 ATOM 192 OD2 ASP A 25 13.679 26.155 42.941 1.00 0.00 ATOM 193 O ASP A 25 10.887 26.515 47.178 1.00 0.00 ATOM 194 C ASP A 25 12.077 26.379 47.469 1.00 0.00 ATOM 195 N GLU A 26 12.474 26.161 48.654 1.00 0.00 ATOM 196 CA GLU A 26 11.527 25.985 49.750 1.00 0.00 ATOM 197 CB GLU A 26 11.313 24.515 50.117 1.00 0.00 ATOM 198 CG GLU A 26 10.660 23.690 49.020 1.00 0.00 ATOM 199 CD GLU A 26 10.443 22.246 49.429 1.00 0.00 ATOM 200 OE1 GLU A 26 10.762 21.902 50.586 1.00 0.00 ATOM 201 OE2 GLU A 26 9.955 21.459 48.591 1.00 0.00 ATOM 202 O GLU A 26 13.250 27.156 51.007 1.00 0.00 ATOM 203 C GLU A 26 12.075 26.715 50.952 1.00 0.00 ATOM 204 N LEU A 27 11.209 26.909 51.963 1.00 0.00 ATOM 205 CA LEU A 27 11.645 27.520 53.226 1.00 0.00 ATOM 206 CB LEU A 27 10.798 28.748 53.548 1.00 0.00 ATOM 207 CG LEU A 27 11.046 29.973 52.663 1.00 0.00 ATOM 208 CD1 LEU A 27 9.974 31.020 52.890 1.00 0.00 ATOM 209 CD2 LEU A 27 12.403 30.581 53.002 1.00 0.00 ATOM 210 O LEU A 27 10.276 25.961 54.446 1.00 0.00 ATOM 211 C LEU A 27 11.414 26.472 54.296 1.00 0.00 ATOM 212 N ILE A 28 12.473 26.131 55.018 1.00 0.00 ATOM 213 CA ILE A 28 12.460 25.047 56.022 1.00 0.00 ATOM 214 CB ILE A 28 13.683 24.132 55.833 1.00 0.00 ATOM 215 CG1 ILE A 28 13.659 23.490 54.443 1.00 0.00 ATOM 216 CG2 ILE A 28 13.688 23.025 56.875 1.00 0.00 ATOM 217 CD1 ILE A 28 14.939 22.769 54.082 1.00 0.00 ATOM 218 O ILE A 28 13.286 26.490 57.759 1.00 0.00 ATOM 219 C ILE A 28 12.532 25.564 57.452 1.00 0.00 ATOM 220 N CYS A 29 11.716 24.972 58.318 1.00 0.00 ATOM 221 CA CYS A 29 11.687 25.340 59.723 1.00 0.00 ATOM 222 CB CYS A 29 10.236 25.469 60.144 1.00 0.00 ATOM 223 SG CYS A 29 10.023 25.762 61.883 1.00 0.00 ATOM 224 O CYS A 29 11.895 23.153 60.660 1.00 0.00 ATOM 225 C CYS A 29 12.361 24.275 60.562 1.00 0.00 ATOM 226 N LYS A 30 13.428 24.655 61.241 1.00 0.00 ATOM 227 CA LYS A 30 14.171 23.718 62.081 1.00 0.00 ATOM 228 CB LYS A 30 15.518 24.325 62.480 1.00 0.00 ATOM 229 CG LYS A 30 16.459 24.571 61.312 1.00 0.00 ATOM 230 CD LYS A 30 17.771 25.180 61.779 1.00 0.00 ATOM 231 CE LYS A 30 18.714 25.419 60.611 1.00 0.00 ATOM 232 NZ LYS A 30 19.990 26.051 61.048 1.00 0.00 ATOM 233 O LYS A 30 13.962 22.265 63.996 1.00 0.00 ATOM 234 C LYS A 30 13.502 23.242 63.380 1.00 0.00 ATOM 235 N GLY A 31 12.454 24.049 63.812 1.00 0.00 ATOM 236 CA GLY A 31 11.847 23.718 65.113 1.00 0.00 ATOM 237 O GLY A 31 11.342 21.571 65.909 1.00 0.00 ATOM 238 C GLY A 31 11.034 22.461 65.126 1.00 0.00 ATOM 239 N ASP A 32 10.021 22.358 64.274 1.00 0.00 ATOM 240 CA ASP A 32 9.213 21.152 64.190 1.00 0.00 ATOM 241 CB ASP A 32 7.851 21.329 64.810 1.00 0.00 ATOM 242 CG ASP A 32 6.949 22.315 64.102 1.00 0.00 ATOM 243 OD1 ASP A 32 7.445 23.091 63.271 1.00 0.00 ATOM 244 OD2 ASP A 32 5.750 22.357 64.459 1.00 0.00 ATOM 245 O ASP A 32 8.146 19.930 62.443 1.00 0.00 ATOM 246 C ASP A 32 9.076 20.650 62.784 1.00 0.00 ATOM 247 N ARG A 33 10.036 21.070 61.956 1.00 0.00 ATOM 248 CA ARG A 33 10.205 20.514 60.601 1.00 0.00 ATOM 249 CB ARG A 33 10.214 18.984 60.647 1.00 0.00 ATOM 250 CG ARG A 33 11.279 18.397 61.555 1.00 0.00 ATOM 251 CD ARG A 33 11.351 16.884 61.418 1.00 0.00 ATOM 252 NE ARG A 33 10.045 16.256 61.607 1.00 0.00 ATOM 253 CZ ARG A 33 9.542 15.921 62.791 1.00 0.00 ATOM 254 NH1 ARG A 33 8.345 15.353 62.867 1.00 0.00 ATOM 255 NH2 ARG A 33 10.236 16.153 63.897 1.00 0.00 ATOM 256 O ARG A 33 9.156 20.090 58.475 1.00 0.00 ATOM 257 C ARG A 33 9.229 20.800 59.466 1.00 0.00 ATOM 258 N LEU A 34 8.482 21.872 59.624 1.00 0.00 ATOM 259 CA LEU A 34 7.577 22.271 58.555 1.00 0.00 ATOM 260 CB LEU A 34 6.673 23.408 59.035 1.00 0.00 ATOM 261 CG LEU A 34 5.583 23.912 58.090 1.00 0.00 ATOM 262 CD1 LEU A 34 4.714 22.751 57.624 1.00 0.00 ATOM 263 CD2 LEU A 34 4.742 24.952 58.815 1.00 0.00 ATOM 264 O LEU A 34 9.471 23.391 57.589 1.00 0.00 ATOM 265 C LEU A 34 8.408 22.785 57.390 1.00 0.00 ATOM 266 N ALA A 35 7.884 22.595 56.193 1.00 0.00 ATOM 267 CA ALA A 35 8.579 23.114 55.002 1.00 0.00 ATOM 268 CB ALA A 35 9.324 22.004 54.274 1.00 0.00 ATOM 269 O ALA A 35 6.449 23.115 53.839 1.00 0.00 ATOM 270 C ALA A 35 7.511 23.728 54.067 1.00 0.00 ATOM 271 N PHE A 36 7.815 24.921 53.542 1.00 0.00 ATOM 272 CA PHE A 36 6.905 25.638 52.638 1.00 0.00 ATOM 273 CB PHE A 36 6.686 27.088 53.087 1.00 0.00 ATOM 274 CG PHE A 36 5.935 27.223 54.384 1.00 0.00 ATOM 275 CD1 PHE A 36 6.559 26.966 55.604 1.00 0.00 ATOM 276 CD2 PHE A 36 4.588 27.611 54.385 1.00 0.00 ATOM 277 CE1 PHE A 36 5.855 27.090 56.812 1.00 0.00 ATOM 278 CE2 PHE A 36 3.877 27.735 55.578 1.00 0.00 ATOM 279 CZ PHE A 36 4.506 27.476 56.794 1.00 0.00 ATOM 280 O PHE A 36 8.553 26.330 51.042 1.00 0.00 ATOM 281 C PHE A 36 7.497 25.722 51.239 1.00 0.00 ATOM 282 N PRO A 37 6.909 25.040 50.261 1.00 0.00 ATOM 283 CA PRO A 37 7.406 25.079 48.879 1.00 0.00 ATOM 284 CB PRO A 37 6.576 24.017 48.156 1.00 0.00 ATOM 285 CG PRO A 37 6.084 23.121 49.244 1.00 0.00 ATOM 286 CD PRO A 37 5.857 24.005 50.439 1.00 0.00 ATOM 287 O PRO A 37 6.069 27.052 48.602 1.00 0.00 ATOM 288 C PRO A 37 7.150 26.506 48.374 1.00 0.00 ATOM 289 N ILE A 38 8.121 27.109 47.693 1.00 0.00 ATOM 290 CA ILE A 38 7.942 28.474 47.198 1.00 0.00 ATOM 291 CB ILE A 38 8.678 29.492 48.103 1.00 0.00 ATOM 292 CG1 ILE A 38 8.077 29.439 49.510 1.00 0.00 ATOM 293 CG2 ILE A 38 8.581 30.901 47.514 1.00 0.00 ATOM 294 CD1 ILE A 38 8.729 30.348 50.520 1.00 0.00 ATOM 295 O ILE A 38 9.593 28.248 45.464 1.00 0.00 ATOM 296 C ILE A 38 8.510 28.722 45.812 1.00 0.00 ATOM 297 N LYS A 39 7.750 29.491 45.064 1.00 0.00 ATOM 298 CA LYS A 39 8.185 29.852 43.723 1.00 0.00 ATOM 299 CB LYS A 39 7.131 29.425 42.700 1.00 0.00 ATOM 300 CG LYS A 39 6.978 27.919 42.558 1.00 0.00 ATOM 301 CD LYS A 39 5.926 27.565 41.520 1.00 0.00 ATOM 302 CE LYS A 39 5.739 26.062 41.411 1.00 0.00 ATOM 303 NZ LYS A 39 4.695 25.701 40.413 1.00 0.00 ATOM 304 O LYS A 39 7.400 32.105 43.892 1.00 0.00 ATOM 305 C LYS A 39 8.349 31.357 43.652 1.00 0.00 ATOM 306 N ASP A 40 9.588 31.845 43.246 1.00 0.00 ATOM 307 CA ASP A 40 9.880 33.294 43.128 1.00 0.00 ATOM 308 CB ASP A 40 9.066 33.922 41.996 1.00 0.00 ATOM 309 CG ASP A 40 9.428 33.358 40.637 1.00 0.00 ATOM 310 OD1 ASP A 40 10.635 33.294 40.321 1.00 0.00 ATOM 311 OD2 ASP A 40 8.503 32.978 39.886 1.00 0.00 ATOM 312 O ASP A 40 9.048 35.155 44.477 1.00 0.00 ATOM 313 C ASP A 40 9.543 34.003 44.464 1.00 0.00 ATOM 314 N GLY A 41 9.765 33.281 45.545 1.00 0.00 ATOM 315 CA GLY A 41 9.570 33.864 46.849 1.00 0.00 ATOM 316 O GLY A 41 7.952 34.386 48.453 1.00 0.00 ATOM 317 C GLY A 41 8.183 33.862 47.359 1.00 0.00 ATOM 318 N ILE A 42 7.243 33.338 46.571 1.00 0.00 ATOM 319 CA ILE A 42 5.837 33.313 46.980 1.00 0.00 ATOM 320 CB ILE A 42 4.898 33.515 45.777 1.00 0.00 ATOM 321 CG1 ILE A 42 5.150 34.878 45.127 1.00 0.00 ATOM 322 CG2 ILE A 42 3.445 33.452 46.220 1.00 0.00 ATOM 323 CD1 ILE A 42 4.444 35.059 43.800 1.00 0.00 ATOM 324 O ILE A 42 5.848 30.926 46.943 1.00 0.00 ATOM 325 C ILE A 42 5.575 31.935 47.577 1.00 0.00 ATOM 326 N PRO A 43 5.087 31.909 48.800 1.00 0.00 ATOM 327 CA PRO A 43 4.859 30.636 49.494 1.00 0.00 ATOM 328 CB PRO A 43 4.410 31.056 50.882 1.00 0.00 ATOM 329 CG PRO A 43 5.049 32.321 51.100 1.00 0.00 ATOM 330 CD PRO A 43 4.953 33.035 49.754 1.00 0.00 ATOM 331 O PRO A 43 2.653 30.277 48.620 1.00 0.00 ATOM 332 C PRO A 43 3.763 29.800 48.838 1.00 0.00 ATOM 333 N MET A 44 4.017 28.468 48.770 1.00 0.00 ATOM 334 CA MET A 44 3.015 27.539 48.283 1.00 0.00 ATOM 335 CB MET A 44 3.447 26.153 48.245 1.00 0.00 ATOM 336 CG MET A 44 4.335 25.876 47.033 1.00 0.00 ATOM 337 SD MET A 44 3.582 26.333 45.440 1.00 0.00 ATOM 338 CE MET A 44 4.555 27.780 45.088 1.00 0.00 ATOM 339 O MET A 44 0.685 27.530 48.943 1.00 0.00 ATOM 340 C MET A 44 1.870 27.449 49.302 1.00 0.00 ATOM 341 N MET A 45 2.210 27.249 50.573 1.00 0.00 ATOM 342 CA MET A 45 1.171 27.125 51.595 1.00 0.00 ATOM 343 CB MET A 45 1.798 26.845 52.963 1.00 0.00 ATOM 344 CG MET A 45 2.408 25.459 53.095 1.00 0.00 ATOM 345 SD MET A 45 1.194 24.141 52.883 1.00 0.00 ATOM 346 CE MET A 45 0.208 24.349 54.364 1.00 0.00 ATOM 347 O MET A 45 -0.861 28.365 51.937 1.00 0.00 ATOM 348 C MET A 45 0.353 28.413 51.727 1.00 0.00 ATOM 349 N LEU A 46 1.001 29.640 51.616 1.00 0.00 ATOM 350 CA LEU A 46 0.261 30.877 51.683 1.00 0.00 ATOM 351 CB LEU A 46 1.197 32.080 51.551 1.00 0.00 ATOM 352 CG LEU A 46 0.539 33.460 51.594 1.00 0.00 ATOM 353 CD1 LEU A 46 -0.165 33.679 52.925 1.00 0.00 ATOM 354 CD2 LEU A 46 1.578 34.557 51.420 1.00 0.00 ATOM 355 O LEU A 46 -1.922 31.227 50.771 1.00 0.00 ATOM 356 C LEU A 46 -0.767 30.888 50.544 1.00 0.00 ATOM 357 N GLU A 47 -0.386 30.433 49.344 1.00 0.00 ATOM 358 CA GLU A 47 -1.340 30.389 48.234 1.00 0.00 ATOM 359 CB GLU A 47 -0.630 29.989 46.939 1.00 0.00 ATOM 360 CG GLU A 47 0.334 31.038 46.410 1.00 0.00 ATOM 361 CD GLU A 47 1.107 30.561 45.196 1.00 0.00 ATOM 362 OE1 GLU A 47 0.941 29.384 44.813 1.00 0.00 ATOM 363 OE2 GLU A 47 1.879 31.364 44.630 1.00 0.00 ATOM 364 O GLU A 47 -3.633 29.650 48.205 1.00 0.00 ATOM 365 C GLU A 47 -2.459 29.389 48.503 1.00 0.00 ATOM 366 N SER A 48 -2.112 28.211 49.079 1.00 0.00 ATOM 367 CA SER A 48 -3.129 27.213 49.390 1.00 0.00 ATOM 368 CB SER A 48 -2.476 25.929 49.904 1.00 0.00 ATOM 369 OG SER A 48 -1.705 25.306 48.890 1.00 0.00 ATOM 370 O SER A 48 -5.313 27.703 50.268 1.00 0.00 ATOM 371 C SER A 48 -4.091 27.769 50.444 1.00 0.00 ATOM 372 N GLU A 49 -3.553 28.382 51.494 1.00 0.00 ATOM 373 CA GLU A 49 -4.402 28.964 52.535 1.00 0.00 ATOM 374 CB GLU A 49 -3.614 29.511 53.726 1.00 0.00 ATOM 375 CG GLU A 49 -4.439 29.970 54.936 1.00 0.00 ATOM 376 CD GLU A 49 -5.342 28.958 55.599 1.00 0.00 ATOM 377 OE1 GLU A 49 -4.968 27.767 55.683 1.00 0.00 ATOM 378 OE2 GLU A 49 -6.335 29.410 56.144 1.00 0.00 ATOM 379 O GLU A 49 -6.440 30.217 52.324 1.00 0.00 ATOM 380 C GLU A 49 -5.269 30.078 51.960 1.00 0.00 ATOM 381 N ALA A 50 -4.699 30.853 51.042 1.00 0.00 ATOM 382 CA ALA A 50 -5.429 31.953 50.422 1.00 0.00 ATOM 383 CB ALA A 50 -4.449 32.846 49.623 1.00 0.00 ATOM 384 O ALA A 50 -7.672 32.076 49.596 1.00 0.00 ATOM 385 C ALA A 50 -6.612 31.456 49.594 1.00 0.00 ATOM 386 N ARG A 51 -6.459 30.301 48.920 1.00 0.00 ATOM 387 CA ARG A 51 -7.545 29.750 48.114 1.00 0.00 ATOM 388 CB ARG A 51 -7.132 28.441 47.462 1.00 0.00 ATOM 389 CG ARG A 51 -6.119 28.558 46.397 1.00 0.00 ATOM 390 CD ARG A 51 -6.598 29.277 45.138 1.00 0.00 ATOM 391 NE ARG A 51 -5.508 29.255 44.171 1.00 0.00 ATOM 392 CZ ARG A 51 -5.509 29.931 43.029 1.00 0.00 ATOM 393 NH1 ARG A 51 -6.561 30.590 42.681 1.00 0.00 ATOM 394 NH2 ARG A 51 -4.458 29.933 42.221 1.00 0.00 ATOM 395 O ARG A 51 -9.910 29.704 48.540 1.00 0.00 ATOM 396 C ARG A 51 -8.779 29.485 48.972 1.00 0.00 ATOM 397 N GLU A 52 -8.575 28.967 50.186 1.00 0.00 ATOM 398 CA GLU A 52 -9.648 28.676 51.098 1.00 0.00 ATOM 399 CB GLU A 52 -9.227 27.610 52.112 1.00 0.00 ATOM 400 CG GLU A 52 -8.985 26.237 51.505 1.00 0.00 ATOM 401 CD GLU A 52 -8.550 25.214 52.535 1.00 0.00 ATOM 402 OE1 GLU A 52 -8.483 25.566 53.731 1.00 0.00 ATOM 403 OE2 GLU A 52 -8.274 24.059 52.145 1.00 0.00 ATOM 404 O GLU A 52 -11.092 29.822 52.602 1.00 0.00 ATOM 405 C GLU A 52 -10.088 29.892 51.908 1.00 0.00 ATOM 406 N LEU A 53 -9.289 30.966 51.837 1.00 0.00 ATOM 407 CA LEU A 53 -9.684 32.142 52.600 1.00 0.00 ATOM 408 CB LEU A 53 -8.512 33.119 52.705 1.00 0.00 ATOM 409 CG LEU A 53 -7.319 32.660 53.546 1.00 0.00 ATOM 410 CD1 LEU A 53 -6.183 33.669 53.466 1.00 0.00 ATOM 411 CD2 LEU A 53 -7.718 32.508 55.005 1.00 0.00 ATOM 412 O LEU A 53 -10.908 32.749 50.658 1.00 0.00 ATOM 413 C LEU A 53 -10.812 32.847 51.870 1.00 0.00 ATOM 414 N ALA A 54 -11.650 33.574 52.585 1.00 0.00 ATOM 415 CA ALA A 54 -12.646 34.386 51.889 1.00 0.00 ATOM 416 CB ALA A 54 -13.518 35.128 52.890 1.00 0.00 ATOM 417 O ALA A 54 -10.788 35.843 51.322 1.00 0.00 ATOM 418 C ALA A 54 -11.903 35.390 51.001 1.00 0.00 ATOM 419 N PRO A 55 -12.542 35.741 49.870 1.00 0.00 ATOM 420 CA PRO A 55 -11.980 36.678 48.923 1.00 0.00 ATOM 421 CB PRO A 55 -13.133 36.931 47.945 1.00 0.00 ATOM 422 CG PRO A 55 -13.772 35.575 47.885 1.00 0.00 ATOM 423 CD PRO A 55 -13.792 35.114 49.349 1.00 0.00 ATOM 424 O PRO A 55 -10.672 38.655 49.097 1.00 0.00 ATOM 425 C PRO A 55 -11.613 38.007 49.554 1.00 0.00 ATOM 426 N GLU A 56 -12.338 38.457 50.579 1.00 0.00 ATOM 427 CA GLU A 56 -11.981 39.718 51.219 1.00 0.00 ATOM 428 CB GLU A 56 -12.968 40.039 52.344 1.00 0.00 ATOM 429 CG GLU A 56 -14.354 40.431 51.859 1.00 0.00 ATOM 430 CD GLU A 56 -15.337 40.622 52.998 1.00 0.00 ATOM 431 OE1 GLU A 56 -14.953 40.375 54.160 1.00 0.00 ATOM 432 OE2 GLU A 56 -16.490 41.019 52.728 1.00 0.00 ATOM 433 O GLU A 56 -9.779 40.558 51.673 1.00 0.00 ATOM 434 C GLU A 56 -10.581 39.629 51.816 1.00 0.00 ATOM 435 N GLU A 57 -10.244 38.439 52.308 1.00 0.00 ATOM 436 CA GLU A 57 -8.929 38.225 52.905 1.00 0.00 ATOM 437 CB GLU A 57 -8.892 36.957 53.759 1.00 0.00 ATOM 438 CG GLU A 57 -9.748 37.036 55.017 1.00 0.00 ATOM 439 CD GLU A 57 -9.375 38.223 55.883 1.00 0.00 ATOM 440 OE1 GLU A 57 -8.171 38.347 56.209 1.00 0.00 ATOM 441 OE2 GLU A 57 -10.275 39.034 56.218 1.00 0.00 ATOM 442 O GLU A 57 -6.777 38.756 52.015 1.00 0.00 ATOM 443 C GLU A 57 -7.857 38.198 51.827 1.00 0.00 ATOM 444 N GLU A 58 -8.168 37.561 50.709 1.00 0.00 ATOM 445 CA GLU A 58 -7.248 37.480 49.584 1.00 0.00 ATOM 446 CB GLU A 58 -7.851 36.637 48.459 1.00 0.00 ATOM 447 CG GLU A 58 -7.962 35.156 48.782 1.00 0.00 ATOM 448 CD GLU A 58 -8.648 34.369 47.682 1.00 0.00 ATOM 449 OE1 GLU A 58 -9.091 34.991 46.694 1.00 0.00 ATOM 450 OE2 GLU A 58 -8.741 33.130 47.808 1.00 0.00 ATOM 451 O GLU A 58 -5.859 39.137 48.532 1.00 0.00 ATOM 452 C GLU A 58 -6.943 38.874 49.023 1.00 0.00 ATOM 453 N VAL A 59 -7.951 39.764 49.081 1.00 0.00 ATOM 454 CA VAL A 59 -7.719 41.151 48.607 1.00 0.00 ATOM 455 CB VAL A 59 -9.056 41.915 48.626 1.00 0.00 ATOM 456 CG1 VAL A 59 -8.843 43.390 48.358 1.00 0.00 ATOM 457 CG2 VAL A 59 -9.953 41.279 47.563 1.00 0.00 ATOM 458 O VAL A 59 -5.770 42.512 48.876 1.00 0.00 ATOM 459 C VAL A 59 -6.633 41.827 49.445 1.00 0.00 ATOM 460 N LYS A 60 -6.640 41.604 50.755 1.00 0.00 ATOM 461 CA LYS A 60 -5.639 42.194 51.629 1.00 0.00 ATOM 462 CB LYS A 60 -5.962 41.958 53.095 1.00 0.00 ATOM 463 CG LYS A 60 -7.152 42.649 53.684 1.00 0.00 ATOM 464 CD LYS A 60 -7.225 44.137 53.388 1.00 0.00 ATOM 465 CE LYS A 60 -8.489 44.696 54.042 1.00 0.00 ATOM 466 NZ LYS A 60 -8.535 46.171 53.745 1.00 0.00 ATOM 467 O LYS A 60 -3.262 42.301 51.348 1.00 0.00 ATOM 468 C LYS A 60 -4.266 41.599 51.340 1.00 0.00 ATOM 469 N LEU A 61 -4.220 40.298 51.148 1.00 0.00 ATOM 470 CA LEU A 61 -2.949 39.651 50.867 1.00 0.00 ATOM 471 CB LEU A 61 -3.170 38.148 50.679 1.00 0.00 ATOM 472 CG LEU A 61 -3.497 37.350 51.942 1.00 0.00 ATOM 473 CD1 LEU A 61 -3.854 35.913 51.593 1.00 0.00 ATOM 474 CD2 LEU A 61 -2.306 37.326 52.888 1.00 0.00 ATOM 475 O LEU A 61 -1.228 40.588 49.489 1.00 0.00 ATOM 476 C LEU A 61 -2.402 40.253 49.575 1.00 0.00 ATOM 477 N GLU A 62 -3.253 40.424 48.569 1.00 0.00 ATOM 478 CA GLU A 62 -2.853 40.971 47.307 1.00 0.00 ATOM 479 CB GLU A 62 -4.011 40.918 46.309 1.00 0.00 ATOM 480 CG GLU A 62 -4.376 39.515 45.853 1.00 0.00 ATOM 481 CD GLU A 62 -5.604 39.491 44.965 1.00 0.00 ATOM 482 OE1 GLU A 62 -6.212 40.564 44.764 1.00 0.00 ATOM 483 OE2 GLU A 62 -5.956 38.401 44.469 1.00 0.00 ATOM 484 O GLU A 62 -1.447 42.851 46.803 1.00 0.00 ATOM 485 C GLU A 62 -2.411 42.425 47.439 1.00 0.00 ATOM 486 N HIS A 63 -3.119 43.180 48.271 1.00 0.00 ATOM 487 CA HIS A 63 -2.775 44.579 48.509 1.00 0.00 ATOM 488 CB HIS A 63 -3.722 45.195 49.541 1.00 0.00 ATOM 489 CG HIS A 63 -3.399 46.616 49.883 1.00 0.00 ATOM 490 CD2 HIS A 63 -2.802 47.301 51.020 1.00 0.00 ATOM 491 ND1 HIS A 63 -3.664 47.666 49.030 1.00 0.00 ATOM 492 CE1 HIS A 63 -3.265 48.813 49.610 1.00 0.00 ATOM 493 NE2 HIS A 63 -2.747 48.601 50.804 1.00 0.00 ATOM 494 O HIS A 63 -0.519 45.397 48.568 1.00 0.00 ATOM 495 C HIS A 63 -1.350 44.602 49.044 1.00 0.00 ATOM 496 N HIS A 64 -1.074 43.727 50.009 1.00 0.00 ATOM 497 CA HIS A 64 0.245 43.743 50.660 1.00 0.00 ATOM 498 CB HIS A 64 0.237 42.870 51.919 1.00 0.00 ATOM 499 CG HIS A 64 -0.557 43.448 53.048 1.00 0.00 ATOM 500 CD2 HIS A 64 -1.762 43.067 53.771 1.00 0.00 ATOM 501 ND1 HIS A 64 -0.211 44.623 53.679 1.00 0.00 ATOM 502 CE1 HIS A 64 -1.107 44.882 54.646 1.00 0.00 ATOM 503 NE2 HIS A 64 -2.041 43.953 54.708 1.00 0.00 ATOM 504 O HIS A 64 2.481 43.688 49.739 1.00 0.00 ATOM 505 C HIS A 64 1.329 43.227 49.699 1.00 0.00 ATOM 506 N HIS A 65 0.954 42.317 48.816 1.00 0.00 ATOM 507 CA HIS A 65 1.881 41.845 47.785 1.00 0.00 ATOM 508 CB HIS A 65 1.298 40.925 46.810 1.00 0.00 ATOM 509 CG HIS A 65 2.297 40.344 45.859 1.00 0.00 ATOM 510 CD2 HIS A 65 2.354 40.352 44.505 1.00 0.00 ATOM 511 ND1 HIS A 65 3.406 39.644 46.283 1.00 0.00 ATOM 512 CE1 HIS A 65 4.103 39.245 45.233 1.00 0.00 ATOM 513 NE2 HIS A 65 3.485 39.662 44.141 1.00 0.00 ATOM 514 O HIS A 65 3.607 43.167 46.707 1.00 0.00 ATOM 515 C HIS A 65 2.390 43.011 46.911 1.00 0.00 ATOM 516 N HIS A 66 1.477 43.871 46.491 1.00 0.00 ATOM 517 CA HIS A 66 1.836 45.028 45.677 1.00 0.00 ATOM 518 CB HIS A 66 0.580 45.747 45.183 1.00 0.00 ATOM 519 CG HIS A 66 0.866 46.931 44.309 1.00 0.00 ATOM 520 CD2 HIS A 66 0.735 48.374 44.442 1.00 0.00 ATOM 521 ND1 HIS A 66 1.381 46.809 43.039 1.00 0.00 ATOM 522 CE1 HIS A 66 1.528 48.036 42.507 1.00 0.00 ATOM 523 NE2 HIS A 66 1.141 48.979 43.343 1.00 0.00 ATOM 524 O HIS A 66 3.700 46.565 46.010 1.00 0.00 ATOM 525 C HIS A 66 2.704 46.039 46.491 1.00 0.00 ATOM 526 N HIS A 67 2.329 46.293 47.716 1.00 0.00 ATOM 527 CA HIS A 67 3.042 47.233 48.590 1.00 0.00 ATOM 528 CB HIS A 67 2.307 47.394 49.923 1.00 0.00 ATOM 529 CG HIS A 67 2.852 48.489 50.785 1.00 0.00 ATOM 530 CD2 HIS A 67 3.774 49.600 50.594 1.00 0.00 ATOM 531 ND1 HIS A 67 2.507 48.635 52.112 1.00 0.00 ATOM 532 CE1 HIS A 67 3.152 49.700 52.617 1.00 0.00 ATOM 533 NE2 HIS A 67 3.915 50.284 51.713 1.00 0.00 ATOM 534 O HIS A 67 5.415 47.532 48.830 1.00 0.00 ATOM 535 C HIS A 67 4.454 46.753 48.871 1.00 0.00 ATOM 536 N HIS A 68 4.609 45.454 49.089 1.00 0.00 ATOM 537 CA HIS A 68 5.923 44.890 49.389 1.00 0.00 ATOM 538 CB HIS A 68 5.802 43.404 49.735 1.00 0.00 ATOM 539 CG HIS A 68 7.099 42.764 50.117 1.00 0.00 ATOM 540 CD2 HIS A 68 8.008 41.810 49.498 1.00 0.00 ATOM 541 ND1 HIS A 68 7.734 43.025 51.311 1.00 0.00 ATOM 542 CE1 HIS A 68 8.870 42.307 51.370 1.00 0.00 ATOM 543 NE2 HIS A 68 9.041 41.576 50.286 1.00 0.00 ATOM 544 O HIS A 68 8.054 45.339 48.355 1.00 0.00 ATOM 545 C HIS A 68 6.870 45.023 48.196 1.00 0.00 ENDMDL EXPDTA 2hf1A MODEL 2 REMARK 44 REMARK 44 model 2 is called 2hf1A ATOM 1 N ASP 2 -0.180 52.346 48.091 1.00 0.00 ATOM 2 CA ASP 2 -0.766 51.284 47.223 1.00 0.00 ATOM 3 CB ASP 2 -0.006 51.214 45.903 1.00 0.00 ATOM 4 O ASP 2 0.107 49.703 48.810 1.00 0.00 ATOM 5 C ASP 2 -0.720 49.927 47.924 1.00 0.00 ATOM 6 N ALA 3 -1.614 49.028 47.524 1.00 0.00 ATOM 7 CA ALA 3 -1.672 47.698 48.109 1.00 0.00 ATOM 8 CB ALA 3 -2.979 47.017 47.737 1.00 0.00 ATOM 9 O ALA 3 -0.280 46.796 46.385 1.00 0.00 ATOM 10 C ALA 3 -0.499 46.885 47.593 1.00 0.00 ATOM 11 N LYS 4 0.259 46.297 48.508 1.00 0.00 ATOM 12 CA LYS 4 1.403 45.490 48.117 1.00 0.00 ATOM 13 CB LYS 4 2.686 46.318 48.194 1.00 0.00 ATOM 14 CG LYS 4 2.916 47.013 49.521 1.00 0.00 ATOM 15 CD LYS 4 3.884 48.168 49.337 1.00 0.00 ATOM 16 CE LYS 4 3.315 49.198 48.359 1.00 0.00 ATOM 17 NZ LYS 4 4.295 50.261 47.991 1.00 0.00 ATOM 18 O LYS 4 0.861 44.102 49.998 1.00 0.00 ATOM 19 C LYS 4 1.524 44.237 48.967 1.00 0.00 ATOM 20 N PHE 5 2.374 43.323 48.516 1.00 0.00 ATOM 21 CA PHE 5 2.583 42.062 49.206 1.00 0.00 ATOM 22 CB PHE 5 2.696 40.933 48.179 1.00 0.00 ATOM 23 CG PHE 5 2.637 39.557 48.777 1.00 0.00 ATOM 24 CD1 PHE 5 3.746 39.005 49.406 1.00 0.00 ATOM 25 CD2 PHE 5 1.460 38.817 48.721 1.00 0.00 ATOM 26 CE1 PHE 5 3.686 37.733 49.971 1.00 0.00 ATOM 27 CE2 PHE 5 1.385 37.544 49.281 1.00 0.00 ATOM 28 CZ PHE 5 2.501 36.999 49.909 1.00 0.00 ATOM 29 O PHE 5 4.950 42.069 49.658 1.00 0.00 ATOM 30 C PHE 5 3.808 42.075 50.119 1.00 0.00 ATOM 31 N LEU 6 3.546 42.102 51.422 1.00 0.00 ATOM 32 CA LEU 6 4.589 42.088 52.438 1.00 0.00 ATOM 33 CB LEU 6 4.689 43.444 53.147 1.00 0.00 ATOM 34 CG LEU 6 5.171 44.701 52.403 1.00 0.00 ATOM 35 CD1 LEU 6 4.976 45.913 53.313 1.00 0.00 ATOM 36 CD2 LEU 6 6.637 44.561 52.002 1.00 0.00 ATOM 37 O LEU 6 3.144 41.053 54.060 1.00 0.00 ATOM 38 C LEU 6 4.227 41.016 53.468 1.00 0.00 ATOM 39 N GLU 7 5.118 40.050 53.670 1.00 0.00 ATOM 40 CA GLU 7 4.858 39.005 54.657 1.00 0.00 ATOM 41 CB GLU 7 4.279 37.749 53.994 1.00 0.00 ATOM 42 CG GLU 7 5.103 37.183 52.863 1.00 0.00 ATOM 43 CD GLU 7 4.662 35.780 52.467 1.00 0.00 ATOM 44 OE1 GLU 7 3.504 35.404 52.756 1.00 0.00 ATOM 45 OE2 GLU 7 5.472 35.057 51.854 1.00 0.00 ATOM 46 O GLU 7 7.186 38.470 54.885 1.00 0.00 ATOM 47 C GLU 7 6.109 38.647 55.450 1.00 0.00 ATOM 48 N ILE 8 5.965 38.564 56.770 1.00 0.00 ATOM 49 CA ILE 8 7.091 38.213 57.628 1.00 0.00 ATOM 50 CB ILE 8 6.746 38.424 59.117 1.00 0.00 ATOM 51 CG1 ILE 8 7.968 38.116 59.983 1.00 0.00 ATOM 52 CG2 ILE 8 5.564 37.553 59.512 1.00 0.00 ATOM 53 CD1 ILE 8 7.790 38.487 61.441 1.00 0.00 ATOM 54 O ILE 8 6.574 35.903 57.222 1.00 0.00 ATOM 55 C ILE 8 7.449 36.748 57.367 1.00 0.00 ATOM 56 N LEU 9 8.740 36.451 57.292 1.00 0.00 ATOM 57 CA LEU 9 9.174 35.092 57.011 1.00 0.00 ATOM 58 CB LEU 9 10.376 35.102 56.061 1.00 0.00 ATOM 59 CG LEU 9 10.136 35.740 54.690 1.00 0.00 ATOM 60 CD1 LEU 9 11.346 35.507 53.790 1.00 0.00 ATOM 61 CD2 LEU 9 8.889 35.138 54.064 1.00 0.00 ATOM 62 O LEU 9 10.685 34.135 58.580 1.00 0.00 ATOM 63 C LEU 9 9.517 34.289 58.249 1.00 0.00 ATOM 64 N VAL 10 8.481 33.812 58.936 1.00 0.00 ATOM 65 CA VAL 10 8.636 32.976 60.113 1.00 0.00 ATOM 66 CB VAL 10 8.272 33.709 61.437 1.00 0.00 ATOM 67 CG1 VAL 10 9.349 34.715 61.782 1.00 0.00 ATOM 68 CG2 VAL 10 6.925 34.392 61.317 1.00 0.00 ATOM 69 O VAL 10 6.725 31.890 59.154 1.00 0.00 ATOM 70 C VAL 10 7.695 31.798 59.914 1.00 0.00 ATOM 71 N CYS 11 7.990 30.687 60.573 1.00 0.00 ATOM 72 CA CYS 11 7.153 29.508 60.446 1.00 0.00 ATOM 73 CB CYS 11 7.723 28.359 61.275 1.00 0.00 ATOM 74 SG CYS 11 6.616 26.950 61.291 1.00 0.00 ATOM 75 O CYS 11 5.573 30.377 62.016 1.00 0.00 ATOM 76 C CYS 11 5.746 29.836 60.930 1.00 0.00 ATOM 77 N PRO 12 4.721 29.510 60.131 1.00 0.00 ATOM 78 CA PRO 12 3.340 29.797 60.528 1.00 0.00 ATOM 79 CB PRO 12 2.533 29.332 59.318 1.00 0.00 ATOM 80 CG PRO 12 3.345 28.219 58.787 1.00 0.00 ATOM 81 CD PRO 12 4.753 28.773 58.859 1.00 0.00 ATOM 82 O PRO 12 1.859 29.433 62.382 1.00 0.00 ATOM 83 C PRO 12 2.905 29.106 61.824 1.00 0.00 ATOM 84 N LEU 13 3.710 28.162 62.305 1.00 0.00 ATOM 85 CA LEU 13 3.387 27.443 63.533 1.00 0.00 ATOM 86 CB LEU 13 3.667 25.947 63.361 1.00 0.00 ATOM 87 CG LEU 13 2.658 25.144 62.538 1.00 0.00 ATOM 88 CD1 LEU 13 3.116 23.696 62.425 1.00 0.00 ATOM 89 CD2 LEU 13 1.297 25.212 63.206 1.00 0.00 ATOM 90 O LEU 13 3.486 28.494 65.690 1.00 0.00 ATOM 91 C LEU 13 4.110 27.941 64.783 1.00 0.00 ATOM 92 N CYS 14 5.423 27.736 64.832 1.00 0.00 ATOM 93 CA CYS 14 6.227 28.133 65.984 1.00 0.00 ATOM 94 CB CYS 14 7.433 27.201 66.115 1.00 0.00 ATOM 95 SG CYS 14 8.664 27.399 64.788 1.00 0.00 ATOM 96 O CYS 14 7.301 30.067 66.901 1.00 0.00 ATOM 97 C CYS 14 6.726 29.573 65.930 1.00 0.00 ATOM 98 N LYS 15 6.513 30.239 64.799 1.00 0.00 ATOM 99 CA LYS 15 6.968 31.616 64.611 1.00 0.00 ATOM 100 CB LYS 15 6.371 32.536 65.682 1.00 0.00 ATOM 101 CG LYS 15 4.981 33.036 65.349 1.00 0.00 ATOM 102 CD LYS 15 4.007 31.885 65.194 1.00 0.00 ATOM 103 CE LYS 15 2.673 32.360 64.641 1.00 0.00 ATOM 104 NZ LYS 15 2.012 33.396 65.488 1.00 0.00 ATOM 105 O LYS 15 9.031 32.820 64.859 1.00 0.00 ATOM 106 C LYS 15 8.490 31.739 64.623 1.00 0.00 ATOM 107 N GLY 16 9.178 30.632 64.360 1.00 0.00 ATOM 108 CA GLY 16 10.632 30.656 64.332 1.00 0.00 ATOM 109 O GLY 16 10.388 30.979 61.981 1.00 0.00 ATOM 110 C GLY 16 11.157 30.980 62.944 1.00 0.00 ATOM 111 N PRO 17 12.463 31.262 62.803 1.00 0.00 ATOM 112 CA PRO 17 13.064 31.585 61.504 1.00 0.00 ATOM 113 CB PRO 17 14.467 32.050 61.884 1.00 0.00 ATOM 114 CG PRO 17 14.766 31.216 63.094 1.00 0.00 ATOM 115 CD PRO 17 13.479 31.299 63.871 1.00 0.00 ATOM 116 O PRO 17 13.028 29.238 60.983 1.00 0.00 ATOM 117 C PRO 17 13.086 30.388 60.554 1.00 0.00 ATOM 118 N LEU 18 13.173 30.673 59.261 1.00 0.00 ATOM 119 CA LEU 18 13.193 29.631 58.243 1.00 0.00 ATOM 120 CB LEU 18 12.080 29.888 57.228 1.00 0.00 ATOM 121 CG LEU 18 10.695 29.936 57.866 1.00 0.00 ATOM 122 CD1 LEU 18 9.687 30.560 56.929 1.00 0.00 ATOM 123 CD2 LEU 18 10.295 28.521 58.256 1.00 0.00 ATOM 124 O LEU 18 15.219 30.595 57.390 1.00 0.00 ATOM 125 C LEU 18 14.532 29.578 57.530 1.00 0.00 ATOM 126 N VAL 19 14.904 28.383 57.084 1.00 0.00 ATOM 127 CA VAL 19 16.158 28.195 56.363 1.00 0.00 ATOM 128 CB VAL 19 16.877 26.907 56.814 1.00 0.00 ATOM 129 CG1 VAL 19 18.174 26.735 56.036 1.00 0.00 ATOM 130 CG2 VAL 19 17.162 26.971 58.300 1.00 0.00 ATOM 131 O VAL 19 15.015 27.280 54.462 1.00 0.00 ATOM 132 C VAL 19 15.843 28.095 54.872 1.00 0.00 ATOM 133 N PHE 20 16.497 28.925 54.066 1.00 0.00 ATOM 134 CA PHE 20 16.248 28.919 52.632 1.00 0.00 ATOM 135 CB PHE 20 16.621 30.276 52.016 1.00 0.00 ATOM 136 CG PHE 20 16.533 30.315 50.513 1.00 0.00 ATOM 137 CD1 PHE 20 17.675 30.524 49.743 1.00 0.00 ATOM 138 CD2 PHE 20 15.313 30.134 49.864 1.00 0.00 ATOM 139 CE1 PHE 20 17.605 30.563 48.343 1.00 0.00 ATOM 140 CE2 PHE 20 15.230 30.171 48.463 1.00 0.00 ATOM 141 CZ PHE 20 16.383 30.382 47.706 1.00 0.00 ATOM 142 O PHE 20 18.245 27.720 52.105 1.00 0.00 ATOM 143 C PHE 20 17.029 27.811 51.955 1.00 0.00 ATOM 144 N ASP 21 16.310 26.960 51.230 1.00 0.00 ATOM 145 CA ASP 21 16.923 25.861 50.491 1.00 0.00 ATOM 146 CB ASP 21 16.152 24.557 50.705 1.00 0.00 ATOM 147 CG ASP 21 16.861 23.354 50.090 1.00 0.00 ATOM 148 OD1 ASP 21 17.509 23.519 49.037 1.00 0.00 ATOM 149 OD2 ASP 21 16.762 22.246 50.652 1.00 0.00 ATOM 150 O ASP 21 15.827 26.195 48.385 1.00 0.00 ATOM 151 C ASP 21 16.881 26.240 49.017 1.00 0.00 ATOM 152 N LYS 22 18.033 26.619 48.479 1.00 0.00 ATOM 153 CA LYS 22 18.146 27.029 47.083 1.00 0.00 ATOM 154 CB LYS 22 19.578 27.502 46.817 1.00 0.00 ATOM 155 CG LYS 22 19.873 27.970 45.395 1.00 0.00 ATOM 156 CD LYS 22 21.366 28.276 45.262 1.00 0.00 ATOM 157 CE LYS 22 21.738 28.841 43.896 1.00 0.00 ATOM 158 NZ LYS 22 23.191 29.186 43.839 1.00 0.00 ATOM 159 O LYS 22 17.048 26.184 45.116 1.00 0.00 ATOM 160 C LYS 22 17.767 25.930 46.086 1.00 0.00 ATOM 161 N SER 23 18.243 24.715 46.331 1.00 0.00 ATOM 162 CA SER 23 17.981 23.589 45.438 1.00 0.00 ATOM 163 CB SER 23 18.815 22.381 45.869 1.00 0.00 ATOM 164 OG SER 23 18.432 21.933 47.154 1.00 0.00 ATOM 165 O SER 23 16.081 22.767 44.233 1.00 0.00 ATOM 166 C SER 23 16.514 23.175 45.307 1.00 0.00 ATOM 167 N LYS 24 15.749 23.265 46.389 1.00 0.00 ATOM 168 CA LYS 24 14.337 22.890 46.335 1.00 0.00 ATOM 169 CB LYS 24 13.988 21.960 47.500 1.00 0.00 ATOM 170 CG LYS 24 14.502 20.545 47.344 1.00 0.00 ATOM 171 CD LYS 24 14.258 19.732 48.606 1.00 0.00 ATOM 172 CE LYS 24 14.671 18.281 48.417 1.00 0.00 ATOM 173 NZ LYS 24 13.866 17.631 47.346 1.00 0.00 ATOM 174 O LYS 24 12.199 23.966 46.379 1.00 0.00 ATOM 175 C LYS 24 13.423 24.106 46.380 1.00 0.00 ATOM 176 N ASP 25 14.031 25.290 46.392 1.00 0.00 ATOM 177 CA ASP 25 13.311 26.557 46.484 1.00 0.00 ATOM 178 CB ASP 25 12.746 26.995 45.121 1.00 0.00 ATOM 179 CG ASP 25 11.758 26.007 44.542 1.00 0.00 ATOM 180 OD1 ASP 25 12.198 24.947 44.050 1.00 0.00 ATOM 181 OD2 ASP 25 10.539 26.293 44.579 1.00 0.00 ATOM 182 O ASP 25 11.013 26.547 47.225 1.00 0.00 ATOM 183 C ASP 25 12.199 26.434 47.525 1.00 0.00 ATOM 184 N GLU 26 12.613 26.177 48.759 1.00 0.00 ATOM 185 CA GLU 26 11.689 26.030 49.877 1.00 0.00 ATOM 186 CB GLU 26 11.494 24.552 50.227 1.00 0.00 ATOM 187 CG GLU 26 10.866 23.709 49.134 1.00 0.00 ATOM 188 CD GLU 26 10.642 22.273 49.571 1.00 0.00 ATOM 189 OE1 GLU 26 11.586 21.664 50.122 1.00 0.00 ATOM 190 OE2 GLU 26 9.527 21.751 49.358 1.00 0.00 ATOM 191 O GLU 26 13.436 27.043 51.165 1.00 0.00 ATOM 192 C GLU 26 12.244 26.743 51.100 1.00 0.00 ATOM 193 N LEU 27 11.367 27.023 52.054 1.00 0.00 ATOM 194 CA LEU 27 11.766 27.657 53.309 1.00 0.00 ATOM 195 CB LEU 27 10.957 28.934 53.551 1.00 0.00 ATOM 196 CG LEU 27 11.230 30.062 52.555 1.00 0.00 ATOM 197 CD1 LEU 27 10.395 31.283 52.924 1.00 0.00 ATOM 198 CD2 LEU 27 12.717 30.410 52.563 1.00 0.00 ATOM 199 O LEU 27 10.317 26.202 54.548 1.00 0.00 ATOM 200 C LEU 27 11.466 26.603 54.367 1.00 0.00 ATOM 201 N ILE 28 12.514 26.156 55.051 1.00 0.00 ATOM 202 CA ILE 28 12.415 25.096 56.041 1.00 0.00 ATOM 203 CB ILE 28 13.608 24.115 55.880 1.00 0.00 ATOM 204 CG1 ILE 28 13.649 23.582 54.446 1.00 0.00 ATOM 205 CG2 ILE 28 13.495 22.945 56.878 1.00 0.00 ATOM 206 CD1 ILE 28 14.855 22.693 54.149 1.00 0.00 ATOM 207 O ILE 28 13.106 26.417 57.926 1.00 0.00 ATOM 208 C ILE 28 12.370 25.528 57.501 1.00 0.00 ATOM 209 N CYS 29 11.489 24.897 58.269 1.00 0.00 ATOM 210 CA CYS 29 11.442 25.177 59.693 1.00 0.00 ATOM 211 CB CYS 29 10.022 25.299 60.228 1.00 0.00 ATOM 212 SG CYS 29 10.035 25.321 62.054 1.00 0.00 ATOM 213 O CYS 29 11.540 22.874 60.334 1.00 0.00 ATOM 214 C CYS 29 12.102 23.967 60.333 1.00 0.00 ATOM 215 N LYS 30 13.300 24.173 60.863 1.00 0.00 ATOM 216 CA LYS 30 14.058 23.104 61.491 1.00 0.00 ATOM 217 CB LYS 30 15.414 23.654 61.954 1.00 0.00 ATOM 218 CG LYS 30 16.318 22.667 62.674 1.00 0.00 ATOM 219 CD LYS 30 16.795 21.555 61.758 1.00 0.00 ATOM 220 CE LYS 30 17.815 20.665 62.461 1.00 0.00 ATOM 221 NZ LYS 30 19.043 21.413 62.855 1.00 0.00 ATOM 222 O LYS 30 13.103 21.267 62.705 1.00 0.00 ATOM 223 C LYS 30 13.300 22.481 62.661 1.00 0.00 ATOM 224 N GLY 31 12.865 23.321 63.595 1.00 0.00 ATOM 225 CA GLY 31 12.148 22.848 64.768 1.00 0.00 ATOM 226 O GLY 31 10.508 21.216 65.371 1.00 0.00 ATOM 227 C GLY 31 10.881 22.043 64.535 1.00 0.00 ATOM 228 N ASP 32 10.211 22.274 63.410 1.00 0.00 ATOM 229 CA ASP 32 8.982 21.550 63.101 1.00 0.00 ATOM 230 CB ASP 32 7.877 22.537 62.723 1.00 0.00 ATOM 231 CG ASP 32 7.201 23.148 63.938 1.00 0.00 ATOM 232 OD1 ASP 32 6.759 24.310 63.851 1.00 0.00 ATOM 233 OD2 ASP 32 7.094 22.462 64.976 1.00 0.00 ATOM 234 O ASP 32 8.257 19.762 61.683 1.00 0.00 ATOM 235 C ASP 32 9.168 20.529 61.985 1.00 0.00 ATOM 236 N ARG 33 10.350 20.525 61.378 1.00 0.00 ATOM 237 CA ARG 33 10.655 19.596 60.300 1.00 0.00 ATOM 238 CB ARG 33 10.706 18.169 60.841 1.00 0.00 ATOM 239 O ARG 33 9.055 18.703 58.740 1.00 0.00 ATOM 240 C ARG 33 9.619 19.704 59.189 1.00 0.00 ATOM 241 N LEU 34 9.380 20.935 58.754 1.00 0.00 ATOM 242 CA LEU 34 8.427 21.221 57.696 1.00 0.00 ATOM 243 CB LEU 34 7.206 21.951 58.264 1.00 0.00 ATOM 244 CG LEU 34 6.303 21.226 59.265 1.00 0.00 ATOM 245 CD1 LEU 34 5.215 22.177 59.730 1.00 0.00 ATOM 246 CD2 LEU 34 5.684 19.986 58.617 1.00 0.00 ATOM 247 O LEU 34 9.939 22.943 56.973 1.00 0.00 ATOM 248 C LEU 34 9.090 22.107 56.645 1.00 0.00 ATOM 249 N ALA 35 8.701 21.918 55.388 1.00 0.00 ATOM 250 CA ALA 35 9.234 22.719 54.290 1.00 0.00 ATOM 251 CB ALA 35 9.961 21.832 53.278 1.00 0.00 ATOM 252 O ALA 35 7.122 22.795 53.155 1.00 0.00 ATOM 253 C ALA 35 8.074 23.433 53.608 1.00 0.00 ATOM 254 N PHE 36 8.146 24.757 53.548 1.00 0.00 ATOM 255 CA PHE 36 7.103 25.536 52.902 1.00 0.00 ATOM 256 CB PHE 36 6.819 26.816 53.695 1.00 0.00 ATOM 257 CG PHE 36 6.297 26.548 55.068 1.00 0.00 ATOM 258 CD1 PHE 36 7.163 26.166 56.087 1.00 0.00 ATOM 259 CD2 PHE 36 4.930 26.589 55.328 1.00 0.00 ATOM 260 CE1 PHE 36 6.677 25.822 57.340 1.00 0.00 ATOM 261 CE2 PHE 36 4.435 26.245 56.579 1.00 0.00 ATOM 262 CZ PHE 36 5.309 25.859 57.587 1.00 0.00 ATOM 263 O PHE 36 8.728 26.149 51.262 1.00 0.00 ATOM 264 C PHE 36 7.562 25.856 51.493 1.00 0.00 ATOM 265 N PRO 37 6.642 25.796 50.527 1.00 0.00 ATOM 266 CA PRO 37 7.019 26.081 49.147 1.00 0.00 ATOM 267 CB PRO 37 5.957 25.338 48.353 1.00 0.00 ATOM 268 CG PRO 37 4.726 25.566 49.196 1.00 0.00 ATOM 269 CD PRO 37 5.237 25.354 50.620 1.00 0.00 ATOM 270 O PRO 37 6.427 28.392 49.422 1.00 0.00 ATOM 271 C PRO 37 7.066 27.554 48.787 1.00 0.00 ATOM 272 N ILE 38 7.839 27.849 47.755 1.00 0.00 ATOM 273 CA ILE 38 7.962 29.191 47.223 1.00 0.00 ATOM 274 CB ILE 38 9.436 29.639 47.164 1.00 0.00 ATOM 275 CG1 ILE 38 10.028 29.656 48.584 1.00 0.00 ATOM 276 CG2 ILE 38 9.535 31.031 46.514 1.00 0.00 ATOM 277 CD1 ILE 38 11.535 29.894 48.624 1.00 0.00 ATOM 278 O ILE 38 7.968 28.315 44.990 1.00 0.00 ATOM 279 C ILE 38 7.397 29.027 45.817 1.00 0.00 ATOM 280 N LYS 39 6.250 29.645 45.564 1.00 0.00 ATOM 281 CA LYS 39 5.603 29.541 44.261 1.00 0.00 ATOM 282 CB LYS 39 4.158 29.069 44.436 1.00 0.00 ATOM 283 CG LYS 39 4.045 27.696 45.094 1.00 0.00 ATOM 284 CD LYS 39 2.611 27.195 45.115 1.00 0.00 ATOM 285 CE LYS 39 2.525 25.824 45.771 1.00 0.00 ATOM 286 NZ LYS 39 1.145 25.271 45.739 1.00 0.00 ATOM 287 O LYS 39 5.246 31.900 44.109 1.00 0.00 ATOM 288 C LYS 39 5.636 30.883 43.545 1.00 0.00 ATOM 289 N ASP 40 6.111 30.884 42.306 1.00 0.00 ATOM 290 CA ASP 40 6.203 32.123 41.540 1.00 0.00 ATOM 291 CB ASP 40 4.804 32.670 41.252 1.00 0.00 ATOM 292 O ASP 40 6.688 34.323 42.360 1.00 0.00 ATOM 293 C ASP 40 7.006 33.140 42.348 1.00 0.00 ATOM 294 N GLY 41 8.040 32.665 43.033 1.00 0.00 ATOM 295 CA GLY 41 8.867 33.547 43.838 1.00 0.00 ATOM 296 O GLY 41 8.709 34.944 45.772 1.00 0.00 ATOM 297 C GLY 41 8.201 34.033 45.115 1.00 0.00 ATOM 298 N ILE 42 7.077 33.422 45.485 1.00 0.00 ATOM 299 CA ILE 42 6.361 33.826 46.688 1.00 0.00 ATOM 300 CB ILE 42 4.927 34.274 46.355 1.00 0.00 ATOM 301 CG1 ILE 42 4.974 35.501 45.436 1.00 0.00 ATOM 302 CG2 ILE 42 4.164 34.594 47.639 1.00 0.00 ATOM 303 CD1 ILE 42 3.616 36.019 45.042 1.00 0.00 ATOM 304 O ILE 42 5.657 31.703 47.569 1.00 0.00 ATOM 305 C ILE 42 6.282 32.743 47.762 1.00 0.00 ATOM 306 N PRO 43 6.915 32.985 48.920 1.00 0.00 ATOM 307 CA PRO 43 6.874 31.988 49.994 1.00 0.00 ATOM 308 CB PRO 43 7.762 32.607 51.069 1.00 0.00 ATOM 309 CG PRO 43 8.754 33.407 50.256 1.00 0.00 ATOM 310 CD PRO 43 7.836 34.082 49.261 1.00 0.00 ATOM 311 O PRO 43 4.758 32.744 50.857 1.00 0.00 ATOM 312 C PRO 43 5.434 31.787 50.466 1.00 0.00 ATOM 313 N MET 44 4.967 30.543 50.418 1.00 0.00 ATOM 314 CA MET 44 3.607 30.226 50.831 1.00 0.00 ATOM 315 CB MET 44 3.082 29.046 50.010 1.00 0.00 ATOM 316 CG MET 44 3.142 29.270 48.505 1.00 0.00 ATOM 317 SD MET 44 2.156 30.840 47.937 1.00 0.00 ATOM 318 CE MET 44 0.364 30.114 47.963 1.00 0.00 ATOM 319 O MET 44 3.563 28.733 52.716 1.00 0.00 ATOM 320 C MET 44 3.562 29.897 52.322 1.00 0.00 ATOM 321 N MET 45 3.507 30.940 53.143 1.00 0.00 ATOM 322 CA MET 45 3.484 30.791 54.591 1.00 0.00 ATOM 323 CB MET 45 3.869 32.122 55.238 1.00 0.00 ATOM 324 CG MET 45 5.205 32.658 54.773 1.00 0.00 ATOM 325 SD MET 45 6.675 31.584 55.400 1.00 0.00 ATOM 326 CE MET 45 6.841 30.338 53.999 1.00 0.00 ATOM 327 O MET 45 1.451 31.065 55.845 1.00 0.00 ATOM 328 C MET 45 2.131 30.326 55.133 1.00 0.00 ATOM 329 N LEU 46 1.754 29.098 54.790 1.00 0.00 ATOM 330 CA LEU 46 0.497 28.506 55.228 1.00 0.00 ATOM 331 CB LEU 46 -0.527 28.522 54.093 1.00 0.00 ATOM 332 CG LEU 46 -1.145 29.872 53.732 1.00 0.00 ATOM 333 CD1 LEU 46 -1.938 29.741 52.430 1.00 0.00 ATOM 334 CD2 LEU 46 -2.034 30.343 54.878 1.00 0.00 ATOM 335 O LEU 46 1.371 26.305 54.957 1.00 0.00 ATOM 336 C LEU 46 0.736 27.069 55.665 1.00 0.00 ATOM 337 N GLU 47 0.217 26.704 56.832 1.00 0.00 ATOM 338 CA GLU 47 0.388 25.352 57.347 1.00 0.00 ATOM 339 CB GLU 47 -0.380 25.201 58.662 1.00 0.00 ATOM 340 CG GLU 47 -0.402 23.790 59.219 1.00 0.00 ATOM 341 CD GLU 47 -0.788 23.745 60.688 1.00 0.00 ATOM 342 OE1 GLU 47 -1.719 24.475 61.091 1.00 0.00 ATOM 343 OE2 GLU 47 -0.165 22.963 61.438 1.00 0.00 ATOM 344 O GLU 47 0.604 23.288 56.127 1.00 0.00 ATOM 345 C GLU 47 -0.063 24.302 56.326 1.00 0.00 ATOM 346 N SER 48 -1.182 24.565 55.663 1.00 0.00 ATOM 347 CA SER 48 -1.723 23.652 54.658 1.00 0.00 ATOM 348 CB SER 48 -3.017 24.232 54.090 1.00 0.00 ATOM 349 OG SER 48 -2.764 25.476 53.458 1.00 0.00 ATOM 350 O SER 48 -0.838 22.305 52.871 1.00 0.00 ATOM 351 C SER 48 -0.761 23.361 53.499 1.00 0.00 ATOM 352 N GLU 49 0.134 24.307 53.216 1.00 0.00 ATOM 353 CA GLU 49 1.094 24.176 52.122 1.00 0.00 ATOM 354 CB GLU 49 1.475 25.571 51.603 1.00 0.00 ATOM 355 CG GLU 49 0.329 26.352 50.980 1.00 0.00 ATOM 356 CD GLU 49 0.092 25.983 49.529 1.00 0.00 ATOM 357 OE1 GLU 49 -0.870 26.511 48.929 1.00 0.00 ATOM 358 OE2 GLU 49 0.871 25.172 48.985 1.00 0.00 ATOM 359 O GLU 49 3.088 22.962 51.610 1.00 0.00 ATOM 360 C GLU 49 2.374 23.424 52.488 1.00 0.00 ATOM 361 N ALA 50 2.658 23.306 53.781 1.00 0.00 ATOM 362 CA ALA 50 3.874 22.644 54.246 1.00 0.00 ATOM 363 CB ALA 50 4.114 22.980 55.709 1.00 0.00 ATOM 364 O ALA 50 2.896 20.446 54.163 1.00 0.00 ATOM 365 C ALA 50 3.910 21.133 54.062 1.00 0.00 ATOM 366 N ARG 51 5.104 20.624 53.794 1.00 0.00 ATOM 367 CA ARG 51 5.300 19.192 53.625 1.00 0.00 ATOM 368 CB ARG 51 5.926 18.895 52.264 1.00 0.00 ATOM 369 CG ARG 51 7.307 19.491 52.121 1.00 0.00 ATOM 370 CD ARG 51 8.111 18.860 51.003 1.00 0.00 ATOM 371 NE ARG 51 9.528 19.145 51.201 1.00 0.00 ATOM 372 CZ ARG 51 10.508 18.708 50.421 1.00 0.00 ATOM 373 NH1 ARG 51 10.241 17.955 49.364 1.00 0.00 ATOM 374 NH2 ARG 51 11.762 19.024 50.708 1.00 0.00 ATOM 375 O ARG 51 7.176 19.513 55.073 1.00 0.00 ATOM 376 C ARG 51 6.267 18.763 54.724 1.00 0.00 ATOM 377 N GLU 52 6.068 17.572 55.280 1.00 0.00 ATOM 378 CA GLU 52 6.967 17.071 56.315 1.00 0.00 ATOM 379 CB GLU 52 6.379 15.851 57.003 1.00 0.00 ATOM 380 CG GLU 52 5.115 16.106 57.769 1.00 0.00 ATOM 381 CD GLU 52 4.704 14.899 58.579 1.00 0.00 ATOM 382 OE1 GLU 52 5.545 14.380 59.346 1.00 0.00 ATOM 383 OE2 GLU 52 3.541 14.471 58.448 1.00 0.00 ATOM 384 O GLU 52 8.231 16.169 54.503 1.00 0.00 ATOM 385 C GLU 52 8.264 16.654 55.633 1.00 0.00 ATOM 386 N LEU 53 9.394 16.840 56.316 1.00 0.00 ATOM 387 CA LEU 53 10.699 16.481 55.767 1.00 0.00 ATOM 388 CB LEU 53 11.830 17.193 56.510 1.00 0.00 ATOM 389 CG LEU 53 11.906 18.716 56.541 1.00 0.00 ATOM 390 CD1 LEU 53 13.079 19.070 57.423 1.00 0.00 ATOM 391 CD2 LEU 53 12.007 19.320 55.139 1.00 0.00 ATOM 392 O LEU 53 10.369 14.300 56.736 1.00 0.00 ATOM 393 C LEU 53 10.917 14.978 55.858 1.00 0.00 ATOM 394 N ALA 54 11.660 14.446 54.897 1.00 0.00 ATOM 395 CA ALA 54 11.951 13.030 54.912 1.00 0.00 ATOM 396 CB ALA 54 12.315 12.562 53.522 1.00 0.00 ATOM 397 O ALA 54 13.861 13.963 56.110 1.00 0.00 ATOM 398 C ALA 54 13.176 12.960 55.856 1.00 0.00 ATOM 399 N PRO 55 13.469 11.782 56.404 1.00 0.00 ATOM 400 CA PRO 55 14.633 11.743 57.290 1.00 0.00 ATOM 401 CB PRO 55 14.518 10.394 58.008 1.00 0.00 ATOM 402 CG PRO 55 13.384 9.626 57.299 1.00 0.00 ATOM 403 CD PRO 55 12.955 10.441 56.098 1.00 0.00 ATOM 404 O PRO 55 16.955 12.209 57.074 1.00 0.00 ATOM 405 C PRO 55 15.924 11.868 56.500 1.00 0.00 ATOM 406 N GLU 56 15.854 11.594 55.196 1.00 0.00 ATOM 407 CA GLU 56 17.008 11.695 54.321 1.00 0.00 ATOM 408 CB GLU 56 16.707 11.024 52.981 1.00 0.00 ATOM 409 CG GLU 56 15.431 11.526 52.337 1.00 0.00 ATOM 410 CD GLU 56 14.755 10.485 51.478 1.00 0.00 ATOM 411 OE1 GLU 56 15.124 10.367 50.288 1.00 0.00 ATOM 412 OE2 GLU 56 13.854 9.787 52.001 1.00 0.00 ATOM 413 O GLU 56 18.388 13.536 53.636 1.00 0.00 ATOM 414 C GLU 56 17.311 13.172 54.116 1.00 0.00 ATOM 415 N GLU 57 16.351 14.016 54.485 1.00 0.00 ATOM 416 CA GLU 57 16.508 15.454 54.357 1.00 0.00 ATOM 417 CB GLU 57 15.208 16.103 53.891 1.00 0.00 ATOM 418 CG GLU 57 14.721 15.635 52.543 1.00 0.00 ATOM 419 CD GLU 57 13.489 16.393 52.091 1.00 0.00 ATOM 420 OE1 GLU 57 13.646 17.469 51.469 1.00 0.00 ATOM 421 OE2 GLU 57 12.369 15.916 52.374 1.00 0.00 ATOM 422 O GLU 57 17.538 17.153 55.658 1.00 0.00 ATOM 423 C GLU 57 16.924 16.091 55.674 1.00 0.00 ATOM 424 N GLU 58 16.567 15.482 56.804 1.00 0.00 ATOM 425 CA GLU 58 16.950 16.034 58.097 1.00 0.00 ATOM 426 CB GLU 58 16.271 15.256 59.226 1.00 0.00 ATOM 427 CG GLU 58 15.041 15.947 59.787 1.00 0.00 ATOM 428 CD GLU 58 14.299 15.104 60.799 1.00 0.00 ATOM 429 OE1 GLU 58 13.430 14.309 60.385 1.00 0.00 ATOM 430 OE2 GLU 58 14.592 15.236 62.005 1.00 0.00 ATOM 431 O GLU 58 19.070 16.741 58.979 1.00 0.00 ATOM 432 C GLU 58 18.468 15.962 58.242 1.00 0.00 ATOM 433 N VAL 59 19.086 15.033 57.517 1.00 0.00 ATOM 434 CA VAL 59 20.535 14.858 57.584 1.00 0.00 ATOM 435 CB VAL 59 21.031 13.692 56.666 1.00 0.00 ATOM 436 CG1 VAL 59 20.325 12.405 57.027 1.00 0.00 ATOM 437 CG2 VAL 59 20.802 14.025 55.206 1.00 0.00 ATOM 438 O VAL 59 22.323 16.401 57.952 1.00 0.00 ATOM 439 C VAL 59 21.358 16.105 57.253 1.00 0.00 ATOM 440 N LYS 60 20.986 16.844 56.207 1.00 0.00 ATOM 441 CA LYS 60 21.760 18.029 55.823 1.00 0.00 ATOM 442 CB LYS 60 21.469 18.425 54.372 1.00 0.00 ATOM 443 CG LYS 60 20.078 18.949 54.106 1.00 0.00 ATOM 444 CD LYS 60 19.972 19.400 52.663 1.00 0.00 ATOM 445 CE LYS 60 18.542 19.729 52.286 1.00 0.00 ATOM 446 NZ LYS 60 18.423 20.043 50.835 1.00 0.00 ATOM 447 O LYS 60 22.423 20.184 56.636 1.00 0.00 ATOM 448 C LYS 60 21.614 19.260 56.715 1.00 0.00 ATOM 449 N LEU 61 20.586 19.290 57.552 1.00 0.00 ATOM 450 CA LEU 61 20.405 20.417 58.455 1.00 0.00 ATOM 451 CB LEU 61 18.916 20.686 58.669 1.00 0.00 ATOM 452 CG LEU 61 18.151 20.866 57.351 1.00 0.00 ATOM 453 CD1 LEU 61 16.658 20.906 57.610 1.00 0.00 ATOM 454 CD2 LEU 61 18.616 22.135 56.656 1.00 0.00 ATOM 455 O LEU 61 21.144 20.731 60.722 1.00 0.00 ATOM 456 C LEU 61 21.080 19.981 59.745 1.00 0.00 ATOM 457 N GLU 62 21.591 18.748 59.702 1.00 0.00 ATOM 458 CA GLU 62 22.299 18.089 60.801 1.00 0.00 ATOM 459 CB GLU 62 23.142 19.095 61.584 1.00 0.00 ATOM 460 CG GLU 62 24.478 19.348 60.921 1.00 0.00 ATOM 461 CD GLU 62 25.166 20.586 61.439 1.00 0.00 ATOM 462 OE1 GLU 62 25.457 20.653 62.655 1.00 0.00 ATOM 463 OE2 GLU 62 25.413 21.492 60.616 1.00 0.00 ATOM 464 O GLU 62 20.811 17.894 62.655 1.00 0.00 ATOM 465 C GLU 62 21.416 17.289 61.747 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 T0348.undertaker-align.pdb looking for model 1 WARNING: atoms too close: (T0348)D40.C and (T0348)I42.C only 0 apart, marking (T0348)I42.C as missing WARNING: atoms too close: (T0348)G41.N and (T0348)P43.N only 0 apart, marking (T0348)G41.N as missing WARNING: atoms too close: (T0348)G41.CA and (T0348)P43.CA only 0 apart, marking (T0348)G41.CA as missing # WARNING: incomplete conformation T0348 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 = 0.836 # GDT_score = -41.803 # GDT_score(maxd=8.000,maxw=2.900)= -40.922 # GDT_score(maxd=8.000,maxw=3.200)= -39.252 # GDT_score(maxd=8.000,maxw=3.500)= -37.714 # GDT_score(maxd=10.000,maxw=3.800)= -40.206 # GDT_score(maxd=10.000,maxw=4.000)= -39.099 # GDT_score(maxd=10.000,maxw=4.200)= -37.985 # GDT_score(maxd=12.000,maxw=4.300)= -40.726 # GDT_score(maxd=12.000,maxw=4.500)= -39.601 # GDT_score(maxd=12.000,maxw=4.700)= -38.420 # GDT_score(maxd=14.000,maxw=5.200)= -38.319 # GDT_score(maxd=14.000,maxw=5.500)= -36.754 # command:# ReadConformPDB reading from PDB file T0348.undertaker-align.pdb looking for model 2 WARNING: atoms too close: (T0348)A35.C and (T0348)P37.C only 0 apart, marking (T0348)P37.C as missing WARNING: atoms too close: (T0348)F36.N and (T0348)I38.N only 0 apart, marking (T0348)F36.N as missing WARNING: atoms too close: (T0348)F36.CA and (T0348)I38.CA only 0 apart, marking (T0348)F36.CA as missing # WARNING: incomplete conformation T0348 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 = 0.525 # GDT_score = -37.295 # GDT_score(maxd=8.000,maxw=2.900)= -38.648 # GDT_score(maxd=8.000,maxw=3.200)= -37.333 # GDT_score(maxd=8.000,maxw=3.500)= -35.855 # GDT_score(maxd=10.000,maxw=3.800)= -36.936 # GDT_score(maxd=10.000,maxw=4.000)= -36.010 # GDT_score(maxd=10.000,maxw=4.200)= -35.154 # GDT_score(maxd=12.000,maxw=4.300)= -36.661 # GDT_score(maxd=12.000,maxw=4.500)= -35.833 # GDT_score(maxd=12.000,maxw=4.700)= -34.990 # GDT_score(maxd=14.000,maxw=5.200)= -34.444 # GDT_score(maxd=14.000,maxw=5.500)= -33.170 # command:# ReadConformPDB reading from PDB file T0348.undertaker-align.pdb looking for model 3 # WARNING: incomplete conformation T0348 can't currently be optimized by undertaker # command:# naming current conformation align3 # command:# ReadConformPDB reading from PDB file T0348.undertaker-align.pdb looking for model 4 WARNING: atoms too close: (T0348)D21.C and (T0348)K22.C only 0 apart, marking (T0348)K22.C as missing WARNING: atoms too close: (T0348)K22.N and (T0348)S23.N only 0 apart, marking (T0348)K22.N as missing WARNING: atoms too close: (T0348)K22.CA and (T0348)S23.CA only 0 apart, marking (T0348)K22.CA as missing WARNING: atoms too close: (T0348)P43.C and (T0348)E52.C only 0 apart, marking (T0348)E52.C as missing WARNING: atoms too close: (T0348)M44.N and (T0348)L53.N only 0 apart, marking (T0348)M44.N as missing WARNING: atoms too close: (T0348)M44.CA and (T0348)L53.CA only 0 apart, marking (T0348)M44.CA as missing # WARNING: incomplete conformation T0348 can't currently be optimized by undertaker # command:# naming current conformation align4 # command:# ReadConformPDB reading from PDB file T0348.undertaker-align.pdb looking for model 5 # WARNING: incomplete conformation T0348 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 32 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file ../model2.ts-submitted looking for model 1 # ReadConformPDB reading from PDB file ../model3.ts-submitted looking for model 1 # Found a chain break before 41 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file ../model4.ts-submitted looking for model 1 # Found a chain break before 51 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file ../model5.ts-submitted looking for model 1 # Found a chain break before 65 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0348.try1-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 39 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0348.try1-opt1.pdb.gz looking for model 1 # Found a chain break before 39 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0348.try1-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 14 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0348.try1-opt2.pdb.gz looking for model 1 # Found a chain break before 45 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0348.try1-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 45 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0348.try10-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 44 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0348.try10-opt1.pdb.gz looking for model 1 # Found a chain break before 44 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0348.try10-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 40 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0348.try10-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 T0348.try10-opt2.pdb.gz looking for model 1 # Found a chain break before 66 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0348.try10-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 66 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0348.try11-opt1-scwrl.pdb.gz looking for model 1 # ReadConformPDB reading from PDB file T0348.try11-opt1.pdb.gz looking for model 1 # ReadConformPDB reading from PDB file T0348.try11-opt2.gromacs0.pdb.gz looking for model 1 # ReadConformPDB reading from PDB file T0348.try11-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # ReadConformPDB reading from PDB file T0348.try11-opt2.pdb.gz looking for model 1 # Found a chain break before 65 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0348.try11-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 65 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0348.try12-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 44 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0348.try12-opt1.pdb.gz looking for model 1 # Found a chain break before 44 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0348.try12-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 13 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0348.try12-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 13 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0348.try12-opt2.pdb.gz looking for model 1 # Found a chain break before 65 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0348.try12-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 65 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0348.try13-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 53 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0348.try13-opt1.pdb.gz looking for model 1 # Found a chain break before 53 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0348.try13-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 44 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0348.try13-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 44 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0348.try13-opt2.pdb.gz looking for model 1 # Found a chain break before 53 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0348.try13-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 53 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0348.try14-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 62 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0348.try14-opt1.pdb.gz looking for model 1 # Found a chain break before 62 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0348.try14-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 62 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0348.try14-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 62 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0348.try14-opt2.pdb.gz looking for model 1 # Found a chain break before 64 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0348.try14-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 64 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0348.try15-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 41 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0348.try15-opt1.pdb.gz looking for model 1 # Found a chain break before 41 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0348.try15-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 44 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0348.try15-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 44 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0348.try15-opt2.pdb.gz looking for model 1 # Found a chain break before 44 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0348.try15-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 44 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0348.try16-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 65 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0348.try16-opt1.pdb.gz looking for model 1 # Found a chain break before 65 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0348.try16-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 61 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0348.try16-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 61 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0348.try16-opt2.pdb.gz looking for model 1 # Found a chain break before 65 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0348.try16-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 65 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0348.try17-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 41 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0348.try17-opt1.pdb.gz looking for model 1 # Found a chain break before 41 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0348.try17-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 44 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0348.try17-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 44 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0348.try17-opt2.pdb.gz looking for model 1 # Found a chain break before 44 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0348.try17-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 44 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0348.try18-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 32 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0348.try18-opt1.pdb.gz looking for model 1 # Found a chain break before 32 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0348.try18-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 14 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0348.try18-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 14 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0348.try18-opt2.pdb.gz looking for model 1 # Found a chain break before 32 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0348.try18-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 32 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0348.try19-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 41 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0348.try19-opt1.pdb.gz looking for model 1 # Found a chain break before 41 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0348.try19-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 44 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0348.try19-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 44 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0348.try19-opt2.pdb.gz looking for model 1 # Found a chain break before 44 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0348.try19-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 44 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0348.try2-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 54 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0348.try2-opt1.pdb.gz looking for model 1 # Found a chain break before 54 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0348.try2-opt2.gromacs0.pdb.gz looking for model 1 # ReadConformPDB reading from PDB file T0348.try2-opt2.pdb.gz looking for model 1 # Found a chain break before 54 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0348.try2-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 54 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0348.try20-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 32 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0348.try20-opt1.pdb.gz looking for model 1 # Found a chain break before 32 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0348.try20-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 14 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0348.try20-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 14 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0348.try20-opt2.pdb.gz looking for model 1 # Found a chain break before 32 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0348.try20-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 32 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0348.try21-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 45 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0348.try21-opt1.pdb.gz looking for model 1 # Found a chain break before 45 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0348.try21-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 14 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0348.try21-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 14 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0348.try21-opt2.pdb.gz looking for model 1 # Found a chain break before 51 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0348.try21-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 51 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0348.try3-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 65 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0348.try3-opt1.pdb.gz looking for model 1 # Found a chain break before 65 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0348.try3-opt2.gromacs0.pdb.gz looking for model 1 # ReadConformPDB reading from PDB file T0348.try3-opt2.pdb.gz looking for model 1 # Found a chain break before 65 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0348.try3-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 65 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0348.try4-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 46 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0348.try4-opt1.pdb.gz looking for model 1 # Found a chain break before 46 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0348.try4-opt2.gromacs0.pdb.gz looking for model 1 # ReadConformPDB reading from PDB file T0348.try4-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # ReadConformPDB reading from PDB file T0348.try4-opt2.pdb.gz looking for model 1 # Found a chain break before 46 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0348.try4-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 46 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0348.try5-opt2.gromacs0.pdb.gz looking for model 1 Error: Reading chain from PDB file T0348.try5-opt2.gromacs0.pdb.gz failed. # ReadConformPDB reading from PDB file T0348.try6-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 46 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0348.try6-opt1.pdb.gz looking for model 1 # Found a chain break before 46 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0348.try6-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 44 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0348.try6-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 44 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0348.try6-opt2.pdb.gz looking for model 1 # Found a chain break before 46 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0348.try6-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 46 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0348.try7-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 67 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0348.try7-opt1.pdb.gz looking for model 1 # Found a chain break before 67 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0348.try7-opt2.gromacs0.pdb.gz looking for model 1 # ReadConformPDB reading from PDB file T0348.try7-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # ReadConformPDB reading from PDB file T0348.try7-opt2.pdb.gz looking for model 1 # Found a chain break before 67 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0348.try7-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 67 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0348.try8-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 15 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0348.try8-opt1.pdb.gz looking for model 1 # Found a chain break before 15 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0348.try8-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 36 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0348.try8-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 36 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0348.try8-opt2.pdb.gz looking for model 1 # Found a chain break before 45 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0348.try8-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 45 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0348.try9-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 45 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0348.try9-opt1.pdb.gz looking for model 1 # Found a chain break before 45 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0348.try9-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 39 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0348.try9-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 39 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0348.try9-opt2.pdb.gz looking for model 1 # Found a chain break before 45 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0348.try9-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 45 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file chimera-M1-K60-2-8.pdb.gz looking for model 1 # Found a chain break before 45 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file servers/3D-JIGSAW_POPULUS_TS1.pdb.gz looking for model 1 # Found a chain break before 58 # copying to AlignedFragments data structure # naming current conformation 3D-JIGSAW_POPULUS_TS1 # request to SCWRL produces command: ulimit -t 62 ; scwrl3 -i /var/tmp/to_scwrl_1246111445.pdb -s /var/tmp/to_scwrl_1246111445.seq -o /var/tmp/from_scwrl_1246111445.pdb > /var/tmp/scwrl_1246111445.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1246111445.pdb # conformation set from SCWRL output # naming current conformation 3D-JIGSAW_POPULUS_TS1-scwrl # ReadConformPDB reading from PDB file servers/3D-JIGSAW_POPULUS_TS2.pdb.gz looking for model 1 # Found a chain break before 42 # copying to AlignedFragments data structure # naming current conformation 3D-JIGSAW_POPULUS_TS2 # request to SCWRL produces command: ulimit -t 62 ; scwrl3 -i /var/tmp/to_scwrl_1824746673.pdb -s /var/tmp/to_scwrl_1824746673.seq -o /var/tmp/from_scwrl_1824746673.pdb > /var/tmp/scwrl_1824746673.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1824746673.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 T0348 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation 3D-JIGSAW_POPULUS_TS3 # request to SCWRL produces command: ulimit -t 62 ; scwrl3 -i /var/tmp/to_scwrl_1817838817.pdb -s /var/tmp/to_scwrl_1817838817.seq -o /var/tmp/from_scwrl_1817838817.pdb > /var/tmp/scwrl_1817838817.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1817838817.pdb # conformation set from SCWRL output # naming current conformation 3D-JIGSAW_POPULUS_TS3-scwrl # ReadConformPDB reading from PDB file servers/3D-JIGSAW_POPULUS_TS4.pdb.gz looking for model 1 # Found a chain break before 58 # copying to AlignedFragments data structure # naming current conformation 3D-JIGSAW_POPULUS_TS4 # request to SCWRL produces command: ulimit -t 62 ; scwrl3 -i /var/tmp/to_scwrl_188233200.pdb -s /var/tmp/to_scwrl_188233200.seq -o /var/tmp/from_scwrl_188233200.pdb > /var/tmp/scwrl_188233200.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_188233200.pdb # conformation set from SCWRL output # naming current conformation 3D-JIGSAW_POPULUS_TS4-scwrl # ReadConformPDB reading from PDB file servers/3D-JIGSAW_POPULUS_TS5.pdb.gz looking for model 1 # Found a chain break before 58 # copying to AlignedFragments data structure # naming current conformation 3D-JIGSAW_POPULUS_TS5 # request to SCWRL produces command: ulimit -t 62 ; scwrl3 -i /var/tmp/to_scwrl_643979339.pdb -s /var/tmp/to_scwrl_643979339.seq -o /var/tmp/from_scwrl_643979339.pdb > /var/tmp/scwrl_643979339.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_643979339.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 T0348 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation 3D-JIGSAW_RECOM_TS1 # request to SCWRL produces command: ulimit -t 62 ; scwrl3 -i /var/tmp/to_scwrl_221933556.pdb -s /var/tmp/to_scwrl_221933556.seq -o /var/tmp/from_scwrl_221933556.pdb > /var/tmp/scwrl_221933556.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_221933556.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 T0348 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation 3D-JIGSAW_RECOM_TS2 # request to SCWRL produces command: ulimit -t 62 ; scwrl3 -i /var/tmp/to_scwrl_461809497.pdb -s /var/tmp/to_scwrl_461809497.seq -o /var/tmp/from_scwrl_461809497.pdb > /var/tmp/scwrl_461809497.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_461809497.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 T0348 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation 3D-JIGSAW_RECOM_TS3 # request to SCWRL produces command: ulimit -t 62 ; scwrl3 -i /var/tmp/to_scwrl_281964552.pdb -s /var/tmp/to_scwrl_281964552.seq -o /var/tmp/from_scwrl_281964552.pdb > /var/tmp/scwrl_281964552.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_281964552.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 T0348 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation 3D-JIGSAW_RECOM_TS4 # request to SCWRL produces command: ulimit -t 62 ; scwrl3 -i /var/tmp/to_scwrl_1719549530.pdb -s /var/tmp/to_scwrl_1719549530.seq -o /var/tmp/from_scwrl_1719549530.pdb > /var/tmp/scwrl_1719549530.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1719549530.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 T0348 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation 3D-JIGSAW_RECOM_TS5 # request to SCWRL produces command: ulimit -t 62 ; scwrl3 -i /var/tmp/to_scwrl_558253719.pdb -s /var/tmp/to_scwrl_558253719.seq -o /var/tmp/from_scwrl_558253719.pdb > /var/tmp/scwrl_558253719.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_558253719.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 T0348 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation 3D-JIGSAW_TS1 # request to SCWRL produces command: ulimit -t 62 ; scwrl3 -i /var/tmp/to_scwrl_1793549541.pdb -s /var/tmp/to_scwrl_1793549541.seq -o /var/tmp/from_scwrl_1793549541.pdb > /var/tmp/scwrl_1793549541.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1793549541.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 T0348 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_TS2 # request to SCWRL produces command: ulimit -t 62 ; scwrl3 -i /var/tmp/to_scwrl_187662045.pdb -s /var/tmp/to_scwrl_187662045.seq -o /var/tmp/from_scwrl_187662045.pdb > /var/tmp/scwrl_187662045.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_187662045.pdb # conformation set from SCWRL output # naming current conformation 3D-JIGSAW_TS2-scwrl # ReadConformPDB reading from PDB file servers/3D-JIGSAW_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0348 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation 3D-JIGSAW_TS3 # request to SCWRL produces command: ulimit -t 62 ; scwrl3 -i /var/tmp/to_scwrl_610443221.pdb -s /var/tmp/to_scwrl_610443221.seq -o /var/tmp/from_scwrl_610443221.pdb > /var/tmp/scwrl_610443221.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_610443221.pdb # conformation set from SCWRL output # naming current conformation 3D-JIGSAW_TS3-scwrl # ReadConformPDB reading from PDB file servers/3D-JIGSAW_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0348 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_TS4 # request to SCWRL produces command: ulimit -t 62 ; scwrl3 -i /var/tmp/to_scwrl_1592011059.pdb -s /var/tmp/to_scwrl_1592011059.seq -o /var/tmp/from_scwrl_1592011059.pdb > /var/tmp/scwrl_1592011059.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1592011059.pdb # conformation set from SCWRL output # naming current conformation 3D-JIGSAW_TS4-scwrl # ReadConformPDB reading from PDB file servers/3D-JIGSAW_TS5.pdb.gz looking for model 1 # Found a chain break before 58 # copying to AlignedFragments data structure # naming current conformation 3D-JIGSAW_TS5 # request to SCWRL produces command: ulimit -t 62 ; scwrl3 -i /var/tmp/to_scwrl_1288457342.pdb -s /var/tmp/to_scwrl_1288457342.seq -o /var/tmp/from_scwrl_1288457342.pdb > /var/tmp/scwrl_1288457342.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1288457342.pdb # conformation set from SCWRL output # naming current conformation 3D-JIGSAW_TS5-scwrl # ReadConformPDB reading from PDB file servers/3Dpro_TS1.pdb.gz looking for model 1 # naming current conformation 3Dpro_TS1 # request to SCWRL produces command: ulimit -t 62 ; scwrl3 -i /var/tmp/to_scwrl_575899585.pdb -s /var/tmp/to_scwrl_575899585.seq -o /var/tmp/from_scwrl_575899585.pdb > /var/tmp/scwrl_575899585.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_575899585.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 # naming current conformation 3Dpro_TS2 # request to SCWRL produces command: ulimit -t 62 ; scwrl3 -i /var/tmp/to_scwrl_1173807692.pdb -s /var/tmp/to_scwrl_1173807692.seq -o /var/tmp/from_scwrl_1173807692.pdb > /var/tmp/scwrl_1173807692.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1173807692.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 17 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS3 # request to SCWRL produces command: ulimit -t 62 ; scwrl3 -i /var/tmp/to_scwrl_870425972.pdb -s /var/tmp/to_scwrl_870425972.seq -o /var/tmp/from_scwrl_870425972.pdb > /var/tmp/scwrl_870425972.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_870425972.pdb # conformation set from SCWRL output # naming current conformation 3Dpro_TS3-scwrl # ReadConformPDB reading from PDB file servers/3Dpro_TS4.pdb.gz looking for model 1 # Found a chain break before 57 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS4 # request to SCWRL produces command: ulimit -t 62 ; scwrl3 -i /var/tmp/to_scwrl_284048744.pdb -s /var/tmp/to_scwrl_284048744.seq -o /var/tmp/from_scwrl_284048744.pdb > /var/tmp/scwrl_284048744.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_284048744.pdb # conformation set from SCWRL output # naming current conformation 3Dpro_TS4-scwrl # ReadConformPDB reading from PDB file servers/3Dpro_TS5.pdb.gz looking for model 1 # Found a chain break before 59 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS5 # request to SCWRL produces command: ulimit -t 62 ; scwrl3 -i /var/tmp/to_scwrl_10495042.pdb -s /var/tmp/to_scwrl_10495042.seq -o /var/tmp/from_scwrl_10495042.pdb > /var/tmp/scwrl_10495042.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_10495042.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 57 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS1 # request to SCWRL produces command: ulimit -t 62 ; scwrl3 -i /var/tmp/to_scwrl_1940723264.pdb -s /var/tmp/to_scwrl_1940723264.seq -o /var/tmp/from_scwrl_1940723264.pdb > /var/tmp/scwrl_1940723264.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1940723264.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 59 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS2 # request to SCWRL produces command: ulimit -t 62 ; scwrl3 -i /var/tmp/to_scwrl_997222052.pdb -s /var/tmp/to_scwrl_997222052.seq -o /var/tmp/from_scwrl_997222052.pdb > /var/tmp/scwrl_997222052.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_997222052.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 63 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS3 # request to SCWRL produces command: ulimit -t 62 ; scwrl3 -i /var/tmp/to_scwrl_1712814803.pdb -s /var/tmp/to_scwrl_1712814803.seq -o /var/tmp/from_scwrl_1712814803.pdb > /var/tmp/scwrl_1712814803.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1712814803.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 45 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS4 # request to SCWRL produces command: ulimit -t 62 ; scwrl3 -i /var/tmp/to_scwrl_394800416.pdb -s /var/tmp/to_scwrl_394800416.seq -o /var/tmp/from_scwrl_394800416.pdb > /var/tmp/scwrl_394800416.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_394800416.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 34 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS5 # request to SCWRL produces command: ulimit -t 62 ; scwrl3 -i /var/tmp/to_scwrl_152461814.pdb -s /var/tmp/to_scwrl_152461814.seq -o /var/tmp/from_scwrl_152461814.pdb > /var/tmp/scwrl_152461814.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_152461814.pdb # conformation set from SCWRL output # naming current conformation ABIpro_TS5-scwrl # ReadConformPDB reading from PDB file servers/BayesHH_TS1.pdb.gz looking for model 1 # Found a chain break before 48 # copying to AlignedFragments data structure # naming current conformation BayesHH_TS1 # request to SCWRL produces command: ulimit -t 62 ; scwrl3 -i /var/tmp/to_scwrl_1986555098.pdb -s /var/tmp/to_scwrl_1986555098.seq -o /var/tmp/from_scwrl_1986555098.pdb > /var/tmp/scwrl_1986555098.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1986555098.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 # naming current conformation Bilab-ENABLE_TS1 # request to SCWRL produces command: ulimit -t 62 ; scwrl3 -i /var/tmp/to_scwrl_22963237.pdb -s /var/tmp/to_scwrl_22963237.seq -o /var/tmp/from_scwrl_22963237.pdb > /var/tmp/scwrl_22963237.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_22963237.pdb # conformation set from SCWRL output # naming current conformation Bilab-ENABLE_TS1-scwrl # ReadConformPDB reading from PDB file servers/Bilab-ENABLE_TS2.pdb.gz looking for model 1 # Found a chain break before 67 # copying to AlignedFragments data structure # naming current conformation Bilab-ENABLE_TS2 # request to SCWRL produces command: ulimit -t 62 ; scwrl3 -i /var/tmp/to_scwrl_975569862.pdb -s /var/tmp/to_scwrl_975569862.seq -o /var/tmp/from_scwrl_975569862.pdb > /var/tmp/scwrl_975569862.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_975569862.pdb # conformation set from SCWRL output # naming current conformation Bilab-ENABLE_TS2-scwrl # ReadConformPDB reading from PDB file servers/Bilab-ENABLE_TS3.pdb.gz looking for model 1 # Found a chain break before 67 # copying to AlignedFragments data structure # naming current conformation Bilab-ENABLE_TS3 # request to SCWRL produces command: ulimit -t 62 ; scwrl3 -i /var/tmp/to_scwrl_1199709285.pdb -s /var/tmp/to_scwrl_1199709285.seq -o /var/tmp/from_scwrl_1199709285.pdb > /var/tmp/scwrl_1199709285.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1199709285.pdb # conformation set from SCWRL output # naming current conformation Bilab-ENABLE_TS3-scwrl # ReadConformPDB reading from PDB file servers/Bilab-ENABLE_TS4.pdb.gz looking for model 1 # Found a chain break before 67 # copying to AlignedFragments data structure # naming current conformation Bilab-ENABLE_TS4 # request to SCWRL produces command: ulimit -t 62 ; scwrl3 -i /var/tmp/to_scwrl_482505436.pdb -s /var/tmp/to_scwrl_482505436.seq -o /var/tmp/from_scwrl_482505436.pdb > /var/tmp/scwrl_482505436.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_482505436.pdb # conformation set from SCWRL output # naming current conformation Bilab-ENABLE_TS4-scwrl # ReadConformPDB reading from PDB file servers/Bilab-ENABLE_TS5.pdb.gz looking for model 1 # Found a chain break before 67 # copying to AlignedFragments data structure # naming current conformation Bilab-ENABLE_TS5 # request to SCWRL produces command: ulimit -t 62 ; scwrl3 -i /var/tmp/to_scwrl_1755603129.pdb -s /var/tmp/to_scwrl_1755603129.seq -o /var/tmp/from_scwrl_1755603129.pdb > /var/tmp/scwrl_1755603129.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1755603129.pdb # conformation set from SCWRL output # naming current conformation Bilab-ENABLE_TS5-scwrl # ReadConformPDB reading from PDB file servers/CIRCLE_TS1.pdb.gz looking for model 1 # Found a chain break before 64 # copying to AlignedFragments data structure # naming current conformation CIRCLE_TS1 # request to SCWRL produces command: ulimit -t 62 ; scwrl3 -i /var/tmp/to_scwrl_298337085.pdb -s /var/tmp/to_scwrl_298337085.seq -o /var/tmp/from_scwrl_298337085.pdb > /var/tmp/scwrl_298337085.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_298337085.pdb # conformation set from SCWRL output # naming current conformation CIRCLE_TS1-scwrl # ReadConformPDB reading from PDB file servers/CIRCLE_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0348 can't currently be optimized by undertaker # naming current conformation CIRCLE_TS2 # request to SCWRL produces command: ulimit -t 62 ; scwrl3 -i /var/tmp/to_scwrl_159768462.pdb -s /var/tmp/to_scwrl_159768462.seq -o /var/tmp/from_scwrl_159768462.pdb > /var/tmp/scwrl_159768462.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_159768462.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 54 # copying to AlignedFragments data structure # naming current conformation CIRCLE_TS3 # request to SCWRL produces command: ulimit -t 62 ; scwrl3 -i /var/tmp/to_scwrl_1425958300.pdb -s /var/tmp/to_scwrl_1425958300.seq -o /var/tmp/from_scwrl_1425958300.pdb > /var/tmp/scwrl_1425958300.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1425958300.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 43 # copying to AlignedFragments data structure # naming current conformation CIRCLE_TS4 # request to SCWRL produces command: ulimit -t 62 ; scwrl3 -i /var/tmp/to_scwrl_486570285.pdb -s /var/tmp/to_scwrl_486570285.seq -o /var/tmp/from_scwrl_486570285.pdb > /var/tmp/scwrl_486570285.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_486570285.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 # Found a chain break before 43 # copying to AlignedFragments data structure # naming current conformation CIRCLE_TS5 # request to SCWRL produces command: ulimit -t 62 ; scwrl3 -i /var/tmp/to_scwrl_803747801.pdb -s /var/tmp/to_scwrl_803747801.seq -o /var/tmp/from_scwrl_803747801.pdb > /var/tmp/scwrl_803747801.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_803747801.pdb # conformation set from SCWRL output # naming current conformation CIRCLE_TS5-scwrl # ReadConformPDB reading from PDB file servers/CaspIta-FOX_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0348 can't currently be optimized by undertaker # naming current conformation CaspIta-FOX_TS1 # request to SCWRL produces command: ulimit -t 62 ; scwrl3 -i /var/tmp/to_scwrl_1647891856.pdb -s /var/tmp/to_scwrl_1647891856.seq -o /var/tmp/from_scwrl_1647891856.pdb > /var/tmp/scwrl_1647891856.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1647891856.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 # Found a chain break before 54 # copying to AlignedFragments data structure # naming current conformation CaspIta-FOX_TS2 # request to SCWRL produces command: ulimit -t 62 ; scwrl3 -i /var/tmp/to_scwrl_948379782.pdb -s /var/tmp/to_scwrl_948379782.seq -o /var/tmp/from_scwrl_948379782.pdb > /var/tmp/scwrl_948379782.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_948379782.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 # WARNING: incomplete conformation T0348 can't currently be optimized by undertaker # naming current conformation CaspIta-FOX_TS3 # request to SCWRL produces command: ulimit -t 62 ; scwrl3 -i /var/tmp/to_scwrl_1085712353.pdb -s /var/tmp/to_scwrl_1085712353.seq -o /var/tmp/from_scwrl_1085712353.pdb > /var/tmp/scwrl_1085712353.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1085712353.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 T0348 can't currently be optimized by undertaker # naming current conformation CaspIta-FOX_TS4 # request to SCWRL produces command: ulimit -t 62 ; scwrl3 -i /var/tmp/to_scwrl_1219957739.pdb -s /var/tmp/to_scwrl_1219957739.seq -o /var/tmp/from_scwrl_1219957739.pdb > /var/tmp/scwrl_1219957739.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1219957739.pdb # conformation set from SCWRL output # naming current conformation CaspIta-FOX_TS4-scwrl # ReadConformPDB reading from PDB file servers/CaspIta-FOX_TS5.pdb.gz looking for model 1 WARNING: atoms too close: (T0348)S48.C and (T0348)E49.N only 0 apart, marking (T0348)E49.N as missing WARNING: atoms too close: (T0348)E49.N and (T0348)E49.CA only 0 apart, marking (T0348)E49.CA as missing WARNING: atoms too close: (T0348)S48.C and (T0348)E49.CA only 0 apart, marking (T0348)E49.CA as missing WARNING: atoms too close: (T0348)E49.CA and (T0348)E49.CB only 0 apart, marking (T0348)E49.CB as missing WARNING: atoms too close: (T0348)E49.N and (T0348)E49.CB only 0 apart, marking (T0348)E49.CB as missing WARNING: atoms too close: (T0348)S48.C and (T0348)E49.CB only 0 apart, marking (T0348)E49.CB as missing WARNING: atoms too close: (T0348)E49.CB and (T0348)E49.CG only 0 apart, marking (T0348)E49.CG as missing WARNING: atoms too close: (T0348)E49.CA and (T0348)E49.CG only 0 apart, marking (T0348)E49.CG as missing WARNING: atoms too close: (T0348)E49.N and (T0348)E49.CG only 0 apart, marking (T0348)E49.CG as missing WARNING: atoms too close: (T0348)S48.C and (T0348)E49.CG only 0 apart, marking (T0348)E49.CG as missing WARNING: atoms too close: (T0348)E49.CG and (T0348)E49.CD only 0 apart, marking (T0348)E49.CD as missing WARNING: atoms too close: (T0348)E49.CB and (T0348)E49.CD only 0 apart, marking (T0348)E49.CD as missing WARNING: atoms too close: (T0348)E49.CA and (T0348)E49.CD only 0 apart, marking (T0348)E49.CD as missing WARNING: atoms too close: (T0348)E49.N and (T0348)E49.CD only 0 apart, marking (T0348)E49.CD as missing WARNING: atoms too close: (T0348)S48.C and (T0348)E49.CD only 0 apart, marking (T0348)E49.CD as missing WARNING: atoms too close: (T0348)E49.CD and (T0348)E49.OE1 only 0 apart, marking (T0348)E49.OE1 as missing WARNING: atoms too close: (T0348)E49.CG and (T0348)E49.OE1 only 0 apart, marking (T0348)E49.OE1 as missing WARNING: atoms too close: (T0348)E49.CB and (T0348)E49.OE1 only 0 apart, marking (T0348)E49.OE1 as missing WARNING: atoms too close: (T0348)E49.CA and (T0348)E49.OE1 only 0 apart, marking (T0348)E49.OE1 as missing WARNING: atoms too close: (T0348)E49.N and (T0348)E49.OE1 only 0 apart, marking (T0348)E49.OE1 as missing WARNING: atoms too close: (T0348)S48.C and (T0348)E49.OE1 only 0 apart, marking (T0348)E49.OE1 as missing WARNING: atoms too close: (T0348)E49.OE1 and (T0348)E49.OE2 only 0 apart, marking (T0348)E49.OE2 as missing WARNING: atoms too close: (T0348)E49.CD and (T0348)E49.OE2 only 0 apart, marking (T0348)E49.OE2 as missing WARNING: atoms too close: (T0348)E49.CG and (T0348)E49.OE2 only 0 apart, marking (T0348)E49.OE2 as missing WARNING: atoms too close: (T0348)E49.CB and (T0348)E49.OE2 only 0 apart, marking (T0348)E49.OE2 as missing WARNING: atoms too close: (T0348)E49.CA and (T0348)E49.OE2 only 0 apart, marking (T0348)E49.OE2 as missing WARNING: atoms too close: (T0348)E49.N and (T0348)E49.OE2 only 0 apart, marking (T0348)E49.OE2 as missing WARNING: atoms too close: (T0348)S48.C and (T0348)E49.OE2 only 0 apart, marking (T0348)E49.OE2 as missing WARNING: atoms too close: (T0348)E49.OE2 and (T0348)E49.O only 0 apart, marking (T0348)E49.O as missing WARNING: atoms too close: (T0348)E49.OE1 and (T0348)E49.O only 0 apart, marking (T0348)E49.O as missing WARNING: atoms too close: (T0348)E49.CD and (T0348)E49.O only 0 apart, marking (T0348)E49.O as missing WARNING: atoms too close: (T0348)E49.CG and (T0348)E49.O only 0 apart, marking (T0348)E49.O as missing WARNING: atoms too close: (T0348)E49.CB and (T0348)E49.O only 0 apart, marking (T0348)E49.O as missing WARNING: atoms too close: (T0348)E49.CA and (T0348)E49.O only 0 apart, marking (T0348)E49.O as missing WARNING: atoms too close: (T0348)E49.N and (T0348)E49.O only 0 apart, marking (T0348)E49.O as missing WARNING: atoms too close: (T0348)S48.C and (T0348)E49.O only 0 apart, marking (T0348)E49.O as missing WARNING: atoms too close: (T0348)E49.O and (T0348)E49.C only 0 apart, marking (T0348)E49.C as missing WARNING: atoms too close: (T0348)E49.OE2 and (T0348)E49.C only 0 apart, marking (T0348)E49.C as missing WARNING: atoms too close: (T0348)E49.OE1 and (T0348)E49.C only 0 apart, marking (T0348)E49.C as missing WARNING: atoms too close: (T0348)E49.CD and (T0348)E49.C only 0 apart, marking (T0348)E49.C as missing WARNING: atoms too close: (T0348)E49.CG and (T0348)E49.C only 0 apart, marking (T0348)E49.C as missing WARNING: atoms too close: (T0348)E49.CB and (T0348)E49.C only 0 apart, marking (T0348)E49.C as missing WARNING: atoms too close: (T0348)E49.CA and (T0348)E49.C only 0 apart, marking (T0348)E49.C as missing WARNING: atoms too close: (T0348)E49.N and (T0348)E49.C only 0 apart, marking (T0348)E49.C as missing WARNING: atoms too close: (T0348)S48.C and (T0348)E49.C only 0 apart, marking (T0348)E49.C as missing # WARNING: incomplete conformation T0348 can't currently be optimized by undertaker # naming current conformation CaspIta-FOX_TS5 # request to SCWRL produces command: ulimit -t 62 ; scwrl3 -i /var/tmp/to_scwrl_1506633500.pdb -s /var/tmp/to_scwrl_1506633500.seq -o /var/tmp/from_scwrl_1506633500.pdb > /var/tmp/scwrl_1506633500.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1506633500.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 T0348 can't currently be optimized by undertaker # naming current conformation Distill_TS1 # request to SCWRL produces command: ulimit -t 62 ; scwrl3 -i /var/tmp/to_scwrl_731778248.pdb -s /var/tmp/to_scwrl_731778248.seq -o /var/tmp/from_scwrl_731778248.pdb > /var/tmp/scwrl_731778248.log Error: Couldn't open file /var/tmp/from_scwrl_731778248.pdb or /var/tmp/from_scwrl_731778248.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_731778248_b.pdb or decoys//var/tmp/from_scwrl_731778248_b.pdb.gz for input Trying /var/tmp/from_scwrl_731778248_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_731778248_b.pdb or /var/tmp/from_scwrl_731778248_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_731778248_a.pdb or decoys//var/tmp/from_scwrl_731778248_a.pdb.gz for input Trying /var/tmp/from_scwrl_731778248_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_731778248_a.pdb or /var/tmp/from_scwrl_731778248_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_731778248.pdb or /var/tmp/from_scwrl_731778248_b.pdb or /var/tmp/from_scwrl_731778248_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 T0348 can't currently be optimized by undertaker # naming current conformation Distill_TS2 # request to SCWRL produces command: ulimit -t 62 ; scwrl3 -i /var/tmp/to_scwrl_1407619784.pdb -s /var/tmp/to_scwrl_1407619784.seq -o /var/tmp/from_scwrl_1407619784.pdb > /var/tmp/scwrl_1407619784.log Error: Couldn't open file /var/tmp/from_scwrl_1407619784.pdb or /var/tmp/from_scwrl_1407619784.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1407619784_b.pdb or decoys//var/tmp/from_scwrl_1407619784_b.pdb.gz for input Trying /var/tmp/from_scwrl_1407619784_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1407619784_b.pdb or /var/tmp/from_scwrl_1407619784_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1407619784_a.pdb or decoys//var/tmp/from_scwrl_1407619784_a.pdb.gz for input Trying /var/tmp/from_scwrl_1407619784_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1407619784_a.pdb or /var/tmp/from_scwrl_1407619784_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1407619784.pdb or /var/tmp/from_scwrl_1407619784_b.pdb or /var/tmp/from_scwrl_1407619784_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 T0348 can't currently be optimized by undertaker # naming current conformation Distill_TS3 # request to SCWRL produces command: ulimit -t 62 ; scwrl3 -i /var/tmp/to_scwrl_2117076721.pdb -s /var/tmp/to_scwrl_2117076721.seq -o /var/tmp/from_scwrl_2117076721.pdb > /var/tmp/scwrl_2117076721.log Error: Couldn't open file /var/tmp/from_scwrl_2117076721.pdb or /var/tmp/from_scwrl_2117076721.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2117076721_b.pdb or decoys//var/tmp/from_scwrl_2117076721_b.pdb.gz for input Trying /var/tmp/from_scwrl_2117076721_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_2117076721_b.pdb or /var/tmp/from_scwrl_2117076721_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2117076721_a.pdb or decoys//var/tmp/from_scwrl_2117076721_a.pdb.gz for input Trying /var/tmp/from_scwrl_2117076721_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_2117076721_a.pdb or /var/tmp/from_scwrl_2117076721_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_2117076721.pdb or /var/tmp/from_scwrl_2117076721_b.pdb or /var/tmp/from_scwrl_2117076721_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 T0348 can't currently be optimized by undertaker # naming current conformation Distill_TS4 # request to SCWRL produces command: ulimit -t 62 ; scwrl3 -i /var/tmp/to_scwrl_176305660.pdb -s /var/tmp/to_scwrl_176305660.seq -o /var/tmp/from_scwrl_176305660.pdb > /var/tmp/scwrl_176305660.log Error: Couldn't open file /var/tmp/from_scwrl_176305660.pdb or /var/tmp/from_scwrl_176305660.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_176305660_b.pdb or decoys//var/tmp/from_scwrl_176305660_b.pdb.gz for input Trying /var/tmp/from_scwrl_176305660_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_176305660_b.pdb or /var/tmp/from_scwrl_176305660_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_176305660_a.pdb or decoys//var/tmp/from_scwrl_176305660_a.pdb.gz for input Trying /var/tmp/from_scwrl_176305660_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_176305660_a.pdb or /var/tmp/from_scwrl_176305660_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_176305660.pdb or /var/tmp/from_scwrl_176305660_b.pdb or /var/tmp/from_scwrl_176305660_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 T0348 can't currently be optimized by undertaker # naming current conformation Distill_TS5 # request to SCWRL produces command: ulimit -t 62 ; scwrl3 -i /var/tmp/to_scwrl_548593481.pdb -s /var/tmp/to_scwrl_548593481.seq -o /var/tmp/from_scwrl_548593481.pdb > /var/tmp/scwrl_548593481.log Error: Couldn't open file /var/tmp/from_scwrl_548593481.pdb or /var/tmp/from_scwrl_548593481.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_548593481_b.pdb or decoys//var/tmp/from_scwrl_548593481_b.pdb.gz for input Trying /var/tmp/from_scwrl_548593481_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_548593481_b.pdb or /var/tmp/from_scwrl_548593481_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_548593481_a.pdb or decoys//var/tmp/from_scwrl_548593481_a.pdb.gz for input Trying /var/tmp/from_scwrl_548593481_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_548593481_a.pdb or /var/tmp/from_scwrl_548593481_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_548593481.pdb or /var/tmp/from_scwrl_548593481_b.pdb or /var/tmp/from_scwrl_548593481_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 66 # copying to AlignedFragments data structure # naming current conformation FAMSD_TS1 # request to SCWRL produces command: ulimit -t 62 ; scwrl3 -i /var/tmp/to_scwrl_545492660.pdb -s /var/tmp/to_scwrl_545492660.seq -o /var/tmp/from_scwrl_545492660.pdb > /var/tmp/scwrl_545492660.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_545492660.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 # Found a chain break before 57 # copying to AlignedFragments data structure # naming current conformation FAMSD_TS2 # request to SCWRL produces command: ulimit -t 62 ; scwrl3 -i /var/tmp/to_scwrl_1350113352.pdb -s /var/tmp/to_scwrl_1350113352.seq -o /var/tmp/from_scwrl_1350113352.pdb > /var/tmp/scwrl_1350113352.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1350113352.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 T0348 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FAMSD_TS3 # request to SCWRL produces command: ulimit -t 62 ; scwrl3 -i /var/tmp/to_scwrl_1419019452.pdb -s /var/tmp/to_scwrl_1419019452.seq -o /var/tmp/from_scwrl_1419019452.pdb > /var/tmp/scwrl_1419019452.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1419019452.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 56 # copying to AlignedFragments data structure # naming current conformation FAMSD_TS4 # request to SCWRL produces command: ulimit -t 62 ; scwrl3 -i /var/tmp/to_scwrl_829541404.pdb -s /var/tmp/to_scwrl_829541404.seq -o /var/tmp/from_scwrl_829541404.pdb > /var/tmp/scwrl_829541404.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_829541404.pdb # conformation set from SCWRL output # naming current conformation FAMSD_TS4-scwrl # ReadConformPDB reading from PDB file servers/FAMSD_TS5.pdb.gz looking for model 1 # Found a chain break before 46 # copying to AlignedFragments data structure # naming current conformation FAMSD_TS5 # request to SCWRL produces command: ulimit -t 62 ; scwrl3 -i /var/tmp/to_scwrl_1360608394.pdb -s /var/tmp/to_scwrl_1360608394.seq -o /var/tmp/from_scwrl_1360608394.pdb > /var/tmp/scwrl_1360608394.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1360608394.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 65 # copying to AlignedFragments data structure # naming current conformation FAMS_TS1 # request to SCWRL produces command: ulimit -t 62 ; scwrl3 -i /var/tmp/to_scwrl_1212259069.pdb -s /var/tmp/to_scwrl_1212259069.seq -o /var/tmp/from_scwrl_1212259069.pdb > /var/tmp/scwrl_1212259069.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1212259069.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 64 # copying to AlignedFragments data structure # naming current conformation FAMS_TS2 # request to SCWRL produces command: ulimit -t 62 ; scwrl3 -i /var/tmp/to_scwrl_1826763455.pdb -s /var/tmp/to_scwrl_1826763455.seq -o /var/tmp/from_scwrl_1826763455.pdb > /var/tmp/scwrl_1826763455.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1826763455.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 # WARNING: incomplete conformation T0348 can't currently be optimized by undertaker # naming current conformation FAMS_TS3 # request to SCWRL produces command: ulimit -t 62 ; scwrl3 -i /var/tmp/to_scwrl_925939551.pdb -s /var/tmp/to_scwrl_925939551.seq -o /var/tmp/from_scwrl_925939551.pdb > /var/tmp/scwrl_925939551.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_925939551.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 54 # copying to AlignedFragments data structure # naming current conformation FAMS_TS4 # request to SCWRL produces command: ulimit -t 62 ; scwrl3 -i /var/tmp/to_scwrl_1607059485.pdb -s /var/tmp/to_scwrl_1607059485.seq -o /var/tmp/from_scwrl_1607059485.pdb > /var/tmp/scwrl_1607059485.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1607059485.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 # WARNING: incomplete conformation T0348 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FAMS_TS5 # request to SCWRL produces command: ulimit -t 62 ; scwrl3 -i /var/tmp/to_scwrl_1979225269.pdb -s /var/tmp/to_scwrl_1979225269.seq -o /var/tmp/from_scwrl_1979225269.pdb > /var/tmp/scwrl_1979225269.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1979225269.pdb # conformation set from SCWRL output # naming current conformation FAMS_TS5-scwrl # ReadConformPDB reading from PDB file servers/FOLDpro_TS1.pdb.gz looking for model 1 # Found a chain break before 38 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS1 # request to SCWRL produces command: ulimit -t 62 ; scwrl3 -i /var/tmp/to_scwrl_765011003.pdb -s /var/tmp/to_scwrl_765011003.seq -o /var/tmp/from_scwrl_765011003.pdb > /var/tmp/scwrl_765011003.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_765011003.pdb # conformation set from SCWRL output # naming current conformation FOLDpro_TS1-scwrl # ReadConformPDB reading from PDB file servers/FOLDpro_TS2.pdb.gz looking for model 1 # naming current conformation FOLDpro_TS2 # request to SCWRL produces command: ulimit -t 62 ; scwrl3 -i /var/tmp/to_scwrl_1630022722.pdb -s /var/tmp/to_scwrl_1630022722.seq -o /var/tmp/from_scwrl_1630022722.pdb > /var/tmp/scwrl_1630022722.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1630022722.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 62 ; scwrl3 -i /var/tmp/to_scwrl_807311485.pdb -s /var/tmp/to_scwrl_807311485.seq -o /var/tmp/from_scwrl_807311485.pdb > /var/tmp/scwrl_807311485.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_807311485.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 62 ; scwrl3 -i /var/tmp/to_scwrl_1964720288.pdb -s /var/tmp/to_scwrl_1964720288.seq -o /var/tmp/from_scwrl_1964720288.pdb > /var/tmp/scwrl_1964720288.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1964720288.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 62 ; scwrl3 -i /var/tmp/to_scwrl_2112528158.pdb -s /var/tmp/to_scwrl_2112528158.seq -o /var/tmp/from_scwrl_2112528158.pdb > /var/tmp/scwrl_2112528158.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2112528158.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 T0348 can't currently be optimized by undertaker # naming current conformation FORTE1_AL1 # request to SCWRL produces command: ulimit -t 62 ; scwrl3 -i /var/tmp/to_scwrl_415430967.pdb -s /var/tmp/to_scwrl_415430967.seq -o /var/tmp/from_scwrl_415430967.pdb > /var/tmp/scwrl_415430967.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_415430967.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 Skipped atom 30, because occupancy 1 <= existing 1.000 in servers/FORTE1_AL2.pdb.gz Skipped atom 32, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL2.pdb.gz Skipped atom 34, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL2.pdb.gz Skipped atom 36, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL2.pdb.gz # WARNING: incomplete conformation T0348 can't currently be optimized by undertaker # naming current conformation FORTE1_AL2 # request to SCWRL produces command: ulimit -t 62 ; scwrl3 -i /var/tmp/to_scwrl_115573726.pdb -s /var/tmp/to_scwrl_115573726.seq -o /var/tmp/from_scwrl_115573726.pdb > /var/tmp/scwrl_115573726.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_115573726.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 T0348 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FORTE1_AL3 # request to SCWRL produces command: ulimit -t 62 ; scwrl3 -i /var/tmp/to_scwrl_124812974.pdb -s /var/tmp/to_scwrl_124812974.seq -o /var/tmp/from_scwrl_124812974.pdb > /var/tmp/scwrl_124812974.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_124812974.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 T0348 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FORTE1_AL4 # request to SCWRL produces command: ulimit -t 62 ; scwrl3 -i /var/tmp/to_scwrl_1841389267.pdb -s /var/tmp/to_scwrl_1841389267.seq -o /var/tmp/from_scwrl_1841389267.pdb > /var/tmp/scwrl_1841389267.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1841389267.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 T0348 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FORTE1_AL5 # request to SCWRL produces command: ulimit -t 62 ; scwrl3 -i /var/tmp/to_scwrl_602144012.pdb -s /var/tmp/to_scwrl_602144012.seq -o /var/tmp/from_scwrl_602144012.pdb > /var/tmp/scwrl_602144012.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_602144012.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 T0348 can't currently be optimized by undertaker # naming current conformation FORTE2_AL1 # request to SCWRL produces command: ulimit -t 62 ; scwrl3 -i /var/tmp/to_scwrl_928560775.pdb -s /var/tmp/to_scwrl_928560775.seq -o /var/tmp/from_scwrl_928560775.pdb > /var/tmp/scwrl_928560775.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_928560775.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 T0348 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FORTE2_AL2 # request to SCWRL produces command: ulimit -t 62 ; scwrl3 -i /var/tmp/to_scwrl_1341797476.pdb -s /var/tmp/to_scwrl_1341797476.seq -o /var/tmp/from_scwrl_1341797476.pdb > /var/tmp/scwrl_1341797476.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1341797476.pdb # conformation set from SCWRL output # naming current conformation FORTE2_AL2-scwrl # ReadConformPDB reading from PDB file servers/FORTE2_AL3.pdb.gz looking for model 1 Skipped atom 30, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL3.pdb.gz Skipped atom 32, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL3.pdb.gz Skipped atom 34, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL3.pdb.gz Skipped atom 36, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL3.pdb.gz # WARNING: incomplete conformation T0348 can't currently be optimized by undertaker # naming current conformation FORTE2_AL3 # request to SCWRL produces command: ulimit -t 62 ; scwrl3 -i /var/tmp/to_scwrl_1550523793.pdb -s /var/tmp/to_scwrl_1550523793.seq -o /var/tmp/from_scwrl_1550523793.pdb > /var/tmp/scwrl_1550523793.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1550523793.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 T0348 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FORTE2_AL4 # request to SCWRL produces command: ulimit -t 62 ; scwrl3 -i /var/tmp/to_scwrl_2014273128.pdb -s /var/tmp/to_scwrl_2014273128.seq -o /var/tmp/from_scwrl_2014273128.pdb > /var/tmp/scwrl_2014273128.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2014273128.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 T0348 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FORTE2_AL5 # request to SCWRL produces command: ulimit -t 62 ; scwrl3 -i /var/tmp/to_scwrl_414271569.pdb -s /var/tmp/to_scwrl_414271569.seq -o /var/tmp/from_scwrl_414271569.pdb > /var/tmp/scwrl_414271569.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_414271569.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 # naming current conformation FPSOLVER-SERVER_TS1 # request to SCWRL produces command: ulimit -t 62 ; scwrl3 -i /var/tmp/to_scwrl_909673648.pdb -s /var/tmp/to_scwrl_909673648.seq -o /var/tmp/from_scwrl_909673648.pdb > /var/tmp/scwrl_909673648.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_909673648.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 23 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS2 # request to SCWRL produces command: ulimit -t 62 ; scwrl3 -i /var/tmp/to_scwrl_598567729.pdb -s /var/tmp/to_scwrl_598567729.seq -o /var/tmp/from_scwrl_598567729.pdb > /var/tmp/scwrl_598567729.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_598567729.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 16 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS3 # request to SCWRL produces command: ulimit -t 62 ; scwrl3 -i /var/tmp/to_scwrl_1821891354.pdb -s /var/tmp/to_scwrl_1821891354.seq -o /var/tmp/from_scwrl_1821891354.pdb > /var/tmp/scwrl_1821891354.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1821891354.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 # naming current conformation FPSOLVER-SERVER_TS4 # request to SCWRL produces command: ulimit -t 62 ; scwrl3 -i /var/tmp/to_scwrl_879266722.pdb -s /var/tmp/to_scwrl_879266722.seq -o /var/tmp/from_scwrl_879266722.pdb > /var/tmp/scwrl_879266722.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_879266722.pdb # conformation set from SCWRL output # naming current conformation FPSOLVER-SERVER_TS4-scwrl # ReadConformPDB reading from PDB file servers/FPSOLVER-SERVER_TS5.pdb.gz looking for model 1 # naming current conformation FPSOLVER-SERVER_TS5 # request to SCWRL produces command: ulimit -t 62 ; scwrl3 -i /var/tmp/to_scwrl_774873390.pdb -s /var/tmp/to_scwrl_774873390.seq -o /var/tmp/from_scwrl_774873390.pdb > /var/tmp/scwrl_774873390.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_774873390.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 # Found a chain break before 21 # copying to AlignedFragments data structure # naming current conformation FUGMOD_TS1 # request to SCWRL produces command: ulimit -t 62 ; scwrl3 -i /var/tmp/to_scwrl_223001188.pdb -s /var/tmp/to_scwrl_223001188.seq -o /var/tmp/from_scwrl_223001188.pdb > /var/tmp/scwrl_223001188.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_223001188.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 62 ; scwrl3 -i /var/tmp/to_scwrl_1424759381.pdb -s /var/tmp/to_scwrl_1424759381.seq -o /var/tmp/from_scwrl_1424759381.pdb > /var/tmp/scwrl_1424759381.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1424759381.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 62 ; scwrl3 -i /var/tmp/to_scwrl_2124986742.pdb -s /var/tmp/to_scwrl_2124986742.seq -o /var/tmp/from_scwrl_2124986742.pdb > /var/tmp/scwrl_2124986742.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2124986742.pdb # conformation set from SCWRL output # naming current conformation FUGMOD_TS3-scwrl # ReadConformPDB reading from PDB file servers/FUGMOD_TS4.pdb.gz looking for model 1 # naming current conformation FUGMOD_TS4 # request to SCWRL produces command: ulimit -t 62 ; scwrl3 -i /var/tmp/to_scwrl_1642020640.pdb -s /var/tmp/to_scwrl_1642020640.seq -o /var/tmp/from_scwrl_1642020640.pdb > /var/tmp/scwrl_1642020640.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1642020640.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 62 ; scwrl3 -i /var/tmp/to_scwrl_106817138.pdb -s /var/tmp/to_scwrl_106817138.seq -o /var/tmp/from_scwrl_106817138.pdb > /var/tmp/scwrl_106817138.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_106817138.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 T0348 can't currently be optimized by undertaker # naming current conformation FUGUE_AL1 # request to SCWRL produces command: ulimit -t 62 ; scwrl3 -i /var/tmp/to_scwrl_1338111490.pdb -s /var/tmp/to_scwrl_1338111490.seq -o /var/tmp/from_scwrl_1338111490.pdb > /var/tmp/scwrl_1338111490.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1338111490.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 T0348 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FUGUE_AL2 # request to SCWRL produces command: ulimit -t 62 ; scwrl3 -i /var/tmp/to_scwrl_706796063.pdb -s /var/tmp/to_scwrl_706796063.seq -o /var/tmp/from_scwrl_706796063.pdb > /var/tmp/scwrl_706796063.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_706796063.pdb # conformation set from SCWRL output # naming current conformation FUGUE_AL2-scwrl # ReadConformPDB reading from PDB file servers/FUGUE_AL3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0348 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FUGUE_AL3 # request to SCWRL produces command: ulimit -t 62 ; scwrl3 -i /var/tmp/to_scwrl_1933580594.pdb -s /var/tmp/to_scwrl_1933580594.seq -o /var/tmp/from_scwrl_1933580594.pdb > /var/tmp/scwrl_1933580594.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1933580594.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 T0348 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FUGUE_AL4 # request to SCWRL produces command: ulimit -t 62 ; scwrl3 -i /var/tmp/to_scwrl_116567394.pdb -s /var/tmp/to_scwrl_116567394.seq -o /var/tmp/from_scwrl_116567394.pdb > /var/tmp/scwrl_116567394.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_116567394.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 T0348 can't currently be optimized by undertaker # naming current conformation FUGUE_AL5 # request to SCWRL produces command: ulimit -t 62 ; scwrl3 -i /var/tmp/to_scwrl_166371901.pdb -s /var/tmp/to_scwrl_166371901.seq -o /var/tmp/from_scwrl_166371901.pdb > /var/tmp/scwrl_166371901.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_166371901.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 # WARNING: incomplete conformation T0348 can't currently be optimized by undertaker # naming current conformation FUNCTION_TS1 # request to SCWRL produces command: ulimit -t 62 ; scwrl3 -i /var/tmp/to_scwrl_1765322216.pdb -s /var/tmp/to_scwrl_1765322216.seq -o /var/tmp/from_scwrl_1765322216.pdb > /var/tmp/scwrl_1765322216.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1765322216.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 67 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS2 # request to SCWRL produces command: ulimit -t 62 ; scwrl3 -i /var/tmp/to_scwrl_881578397.pdb -s /var/tmp/to_scwrl_881578397.seq -o /var/tmp/from_scwrl_881578397.pdb > /var/tmp/scwrl_881578397.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_881578397.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 63 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS3 # request to SCWRL produces command: ulimit -t 62 ; scwrl3 -i /var/tmp/to_scwrl_1796394624.pdb -s /var/tmp/to_scwrl_1796394624.seq -o /var/tmp/from_scwrl_1796394624.pdb > /var/tmp/scwrl_1796394624.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1796394624.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 55 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS4 # request to SCWRL produces command: ulimit -t 62 ; scwrl3 -i /var/tmp/to_scwrl_425150054.pdb -s /var/tmp/to_scwrl_425150054.seq -o /var/tmp/from_scwrl_425150054.pdb > /var/tmp/scwrl_425150054.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_425150054.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 58 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS5 # request to SCWRL produces command: ulimit -t 62 ; scwrl3 -i /var/tmp/to_scwrl_698815039.pdb -s /var/tmp/to_scwrl_698815039.seq -o /var/tmp/from_scwrl_698815039.pdb > /var/tmp/scwrl_698815039.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_698815039.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 62 ; scwrl3 -i /var/tmp/to_scwrl_1761439135.pdb -s /var/tmp/to_scwrl_1761439135.seq -o /var/tmp/from_scwrl_1761439135.pdb > /var/tmp/scwrl_1761439135.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1761439135.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 # Found a chain break before 5 # copying to AlignedFragments data structure # naming current conformation Frankenstein_TS2 # request to SCWRL produces command: ulimit -t 62 ; scwrl3 -i /var/tmp/to_scwrl_840581022.pdb -s /var/tmp/to_scwrl_840581022.seq -o /var/tmp/from_scwrl_840581022.pdb > /var/tmp/scwrl_840581022.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_840581022.pdb # conformation set from SCWRL output # naming current conformation Frankenstein_TS2-scwrl # ReadConformPDB reading from PDB file servers/GeneSilicoMetaServer_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0348 can't currently be optimized by undertaker # naming current conformation GeneSilicoMetaServer_TS1 # request to SCWRL produces command: ulimit -t 62 ; scwrl3 -i /var/tmp/to_scwrl_814388765.pdb -s /var/tmp/to_scwrl_814388765.seq -o /var/tmp/from_scwrl_814388765.pdb > /var/tmp/scwrl_814388765.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_814388765.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 # naming current conformation GeneSilicoMetaServer_TS2 # request to SCWRL produces command: ulimit -t 62 ; scwrl3 -i /var/tmp/to_scwrl_1886252109.pdb -s /var/tmp/to_scwrl_1886252109.seq -o /var/tmp/from_scwrl_1886252109.pdb > /var/tmp/scwrl_1886252109.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1886252109.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 # WARNING: incomplete conformation T0348 can't currently be optimized by undertaker # naming current conformation GeneSilicoMetaServer_TS3 # request to SCWRL produces command: ulimit -t 62 ; scwrl3 -i /var/tmp/to_scwrl_534486642.pdb -s /var/tmp/to_scwrl_534486642.seq -o /var/tmp/from_scwrl_534486642.pdb > /var/tmp/scwrl_534486642.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_534486642.pdb # conformation set from SCWRL output # naming current conformation GeneSilicoMetaServer_TS3-scwrl # ReadConformPDB reading from PDB file servers/GeneSilicoMetaServer_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0348 can't currently be optimized by undertaker # naming current conformation GeneSilicoMetaServer_TS4 # request to SCWRL produces command: ulimit -t 62 ; scwrl3 -i /var/tmp/to_scwrl_1416532776.pdb -s /var/tmp/to_scwrl_1416532776.seq -o /var/tmp/from_scwrl_1416532776.pdb > /var/tmp/scwrl_1416532776.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1416532776.pdb # conformation set from SCWRL output # naming current conformation GeneSilicoMetaServer_TS4-scwrl # ReadConformPDB reading from PDB file servers/GeneSilicoMetaServer_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0348 can't currently be optimized by undertaker # naming current conformation GeneSilicoMetaServer_TS5 # request to SCWRL produces command: ulimit -t 62 ; scwrl3 -i /var/tmp/to_scwrl_667329238.pdb -s /var/tmp/to_scwrl_667329238.seq -o /var/tmp/from_scwrl_667329238.pdb > /var/tmp/scwrl_667329238.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_667329238.pdb # conformation set from SCWRL output # naming current conformation GeneSilicoMetaServer_TS5-scwrl # ReadConformPDB reading from PDB file servers/HHpred1_TS1.pdb.gz looking for model 1 # Found a chain break before 10 # copying to AlignedFragments data structure # naming current conformation HHpred1_TS1 # request to SCWRL produces command: ulimit -t 62 ; scwrl3 -i /var/tmp/to_scwrl_1876284119.pdb -s /var/tmp/to_scwrl_1876284119.seq -o /var/tmp/from_scwrl_1876284119.pdb > /var/tmp/scwrl_1876284119.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1876284119.pdb # conformation set from SCWRL output # naming current conformation HHpred1_TS1-scwrl # ReadConformPDB reading from PDB file servers/HHpred2_TS1.pdb.gz looking for model 1 # Found a chain break before 10 # copying to AlignedFragments data structure # naming current conformation HHpred2_TS1 # request to SCWRL produces command: ulimit -t 62 ; scwrl3 -i /var/tmp/to_scwrl_819572924.pdb -s /var/tmp/to_scwrl_819572924.seq -o /var/tmp/from_scwrl_819572924.pdb > /var/tmp/scwrl_819572924.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_819572924.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 62 ; scwrl3 -i /var/tmp/to_scwrl_534118719.pdb -s /var/tmp/to_scwrl_534118719.seq -o /var/tmp/from_scwrl_534118719.pdb > /var/tmp/scwrl_534118719.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_534118719.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 T0348 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS1 # request to SCWRL produces command: ulimit -t 62 ; scwrl3 -i /var/tmp/to_scwrl_143072041.pdb -s /var/tmp/to_scwrl_143072041.seq -o /var/tmp/from_scwrl_143072041.pdb > /var/tmp/scwrl_143072041.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_143072041.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 T0348 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS2 # request to SCWRL produces command: ulimit -t 62 ; scwrl3 -i /var/tmp/to_scwrl_1729246571.pdb -s /var/tmp/to_scwrl_1729246571.seq -o /var/tmp/from_scwrl_1729246571.pdb > /var/tmp/scwrl_1729246571.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1729246571.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 T0348 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS3 # request to SCWRL produces command: ulimit -t 62 ; scwrl3 -i /var/tmp/to_scwrl_1132686448.pdb -s /var/tmp/to_scwrl_1132686448.seq -o /var/tmp/from_scwrl_1132686448.pdb > /var/tmp/scwrl_1132686448.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1132686448.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 T0348 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS4 # request to SCWRL produces command: ulimit -t 62 ; scwrl3 -i /var/tmp/to_scwrl_1964963395.pdb -s /var/tmp/to_scwrl_1964963395.seq -o /var/tmp/from_scwrl_1964963395.pdb > /var/tmp/scwrl_1964963395.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1964963395.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 T0348 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS5 # request to SCWRL produces command: ulimit -t 62 ; scwrl3 -i /var/tmp/to_scwrl_461029646.pdb -s /var/tmp/to_scwrl_461029646.seq -o /var/tmp/from_scwrl_461029646.pdb > /var/tmp/scwrl_461029646.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_461029646.pdb # conformation set from SCWRL output # naming current conformation Huber-Torda-Server_TS5-scwrl # ReadConformPDB reading from PDB file servers/LOOPP_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0348 can't currently be optimized by undertaker # naming current conformation LOOPP_TS1 # request to SCWRL produces command: ulimit -t 62 ; scwrl3 -i /var/tmp/to_scwrl_1907559838.pdb -s /var/tmp/to_scwrl_1907559838.seq -o /var/tmp/from_scwrl_1907559838.pdb > /var/tmp/scwrl_1907559838.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1907559838.pdb # conformation set from SCWRL output # naming current conformation LOOPP_TS1-scwrl # ReadConformPDB reading from PDB file servers/LOOPP_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0348 can't currently be optimized by undertaker # naming current conformation LOOPP_TS2 # request to SCWRL produces command: ulimit -t 62 ; scwrl3 -i /var/tmp/to_scwrl_40480936.pdb -s /var/tmp/to_scwrl_40480936.seq -o /var/tmp/from_scwrl_40480936.pdb > /var/tmp/scwrl_40480936.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_40480936.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 T0348 can't currently be optimized by undertaker # naming current conformation LOOPP_TS3 # request to SCWRL produces command: ulimit -t 62 ; scwrl3 -i /var/tmp/to_scwrl_1885789028.pdb -s /var/tmp/to_scwrl_1885789028.seq -o /var/tmp/from_scwrl_1885789028.pdb > /var/tmp/scwrl_1885789028.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1885789028.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 T0348 can't currently be optimized by undertaker # naming current conformation LOOPP_TS4 # request to SCWRL produces command: ulimit -t 62 ; scwrl3 -i /var/tmp/to_scwrl_1885062933.pdb -s /var/tmp/to_scwrl_1885062933.seq -o /var/tmp/from_scwrl_1885062933.pdb > /var/tmp/scwrl_1885062933.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1885062933.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 T0348 can't currently be optimized by undertaker # naming current conformation LOOPP_TS5 # request to SCWRL produces command: ulimit -t 62 ; scwrl3 -i /var/tmp/to_scwrl_1682501576.pdb -s /var/tmp/to_scwrl_1682501576.seq -o /var/tmp/from_scwrl_1682501576.pdb > /var/tmp/scwrl_1682501576.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1682501576.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 # naming current conformation Ma-OPUS-server2_TS1 # request to SCWRL produces command: ulimit -t 62 ; scwrl3 -i /var/tmp/to_scwrl_1992606166.pdb -s /var/tmp/to_scwrl_1992606166.seq -o /var/tmp/from_scwrl_1992606166.pdb > /var/tmp/scwrl_1992606166.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1992606166.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 62 ; scwrl3 -i /var/tmp/to_scwrl_1075690776.pdb -s /var/tmp/to_scwrl_1075690776.seq -o /var/tmp/from_scwrl_1075690776.pdb > /var/tmp/scwrl_1075690776.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1075690776.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 62 ; scwrl3 -i /var/tmp/to_scwrl_241813992.pdb -s /var/tmp/to_scwrl_241813992.seq -o /var/tmp/from_scwrl_241813992.pdb > /var/tmp/scwrl_241813992.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_241813992.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 # naming current conformation Ma-OPUS-server2_TS4 # request to SCWRL produces command: ulimit -t 62 ; scwrl3 -i /var/tmp/to_scwrl_1778703113.pdb -s /var/tmp/to_scwrl_1778703113.seq -o /var/tmp/from_scwrl_1778703113.pdb > /var/tmp/scwrl_1778703113.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1778703113.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 # naming current conformation Ma-OPUS-server2_TS5 # request to SCWRL produces command: ulimit -t 62 ; scwrl3 -i /var/tmp/to_scwrl_1192258171.pdb -s /var/tmp/to_scwrl_1192258171.seq -o /var/tmp/from_scwrl_1192258171.pdb > /var/tmp/scwrl_1192258171.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1192258171.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 62 ; scwrl3 -i /var/tmp/to_scwrl_408185894.pdb -s /var/tmp/to_scwrl_408185894.seq -o /var/tmp/from_scwrl_408185894.pdb > /var/tmp/scwrl_408185894.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_408185894.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 # naming current conformation Ma-OPUS-server_TS2 # request to SCWRL produces command: ulimit -t 62 ; scwrl3 -i /var/tmp/to_scwrl_1396541683.pdb -s /var/tmp/to_scwrl_1396541683.seq -o /var/tmp/from_scwrl_1396541683.pdb > /var/tmp/scwrl_1396541683.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1396541683.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 # Found a chain break before 37 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS3 # request to SCWRL produces command: ulimit -t 62 ; scwrl3 -i /var/tmp/to_scwrl_2073836568.pdb -s /var/tmp/to_scwrl_2073836568.seq -o /var/tmp/from_scwrl_2073836568.pdb > /var/tmp/scwrl_2073836568.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2073836568.pdb # conformation set from SCWRL output # naming current conformation Ma-OPUS-server_TS3-scwrl # ReadConformPDB reading from PDB file servers/Ma-OPUS-server_TS4.pdb.gz looking for model 1 # Found a chain break before 52 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS4 # request to SCWRL produces command: ulimit -t 62 ; scwrl3 -i /var/tmp/to_scwrl_57096871.pdb -s /var/tmp/to_scwrl_57096871.seq -o /var/tmp/from_scwrl_57096871.pdb > /var/tmp/scwrl_57096871.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_57096871.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 62 ; scwrl3 -i /var/tmp/to_scwrl_1821691737.pdb -s /var/tmp/to_scwrl_1821691737.seq -o /var/tmp/from_scwrl_1821691737.pdb > /var/tmp/scwrl_1821691737.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1821691737.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 49 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS1 # request to SCWRL produces command: ulimit -t 62 ; scwrl3 -i /var/tmp/to_scwrl_625167960.pdb -s /var/tmp/to_scwrl_625167960.seq -o /var/tmp/from_scwrl_625167960.pdb > /var/tmp/scwrl_625167960.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_625167960.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 66 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS2 # request to SCWRL produces command: ulimit -t 62 ; scwrl3 -i /var/tmp/to_scwrl_1818536006.pdb -s /var/tmp/to_scwrl_1818536006.seq -o /var/tmp/from_scwrl_1818536006.pdb > /var/tmp/scwrl_1818536006.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1818536006.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 64 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS3 # request to SCWRL produces command: ulimit -t 62 ; scwrl3 -i /var/tmp/to_scwrl_514789112.pdb -s /var/tmp/to_scwrl_514789112.seq -o /var/tmp/from_scwrl_514789112.pdb > /var/tmp/scwrl_514789112.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_514789112.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 54 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS4 # request to SCWRL produces command: ulimit -t 62 ; scwrl3 -i /var/tmp/to_scwrl_1439556725.pdb -s /var/tmp/to_scwrl_1439556725.seq -o /var/tmp/from_scwrl_1439556725.pdb > /var/tmp/scwrl_1439556725.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1439556725.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 67 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS5 # request to SCWRL produces command: ulimit -t 62 ; scwrl3 -i /var/tmp/to_scwrl_1557304469.pdb -s /var/tmp/to_scwrl_1557304469.seq -o /var/tmp/from_scwrl_1557304469.pdb > /var/tmp/scwrl_1557304469.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1557304469.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 T0348 can't currently be optimized by undertaker # naming current conformation NN_PUT_lab_TS1 # request to SCWRL produces command: ulimit -t 62 ; scwrl3 -i /var/tmp/to_scwrl_1049275755.pdb -s /var/tmp/to_scwrl_1049275755.seq -o /var/tmp/from_scwrl_1049275755.pdb > /var/tmp/scwrl_1049275755.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1049275755.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 28 # copying to AlignedFragments data structure # naming current conformation POMYSL_TS1 # request to SCWRL produces command: ulimit -t 62 ; scwrl3 -i /var/tmp/to_scwrl_708605855.pdb -s /var/tmp/to_scwrl_708605855.seq -o /var/tmp/from_scwrl_708605855.pdb > /var/tmp/scwrl_708605855.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_708605855.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 62 ; scwrl3 -i /var/tmp/to_scwrl_77150060.pdb -s /var/tmp/to_scwrl_77150060.seq -o /var/tmp/from_scwrl_77150060.pdb > /var/tmp/scwrl_77150060.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_77150060.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 67 # copying to AlignedFragments data structure # naming current conformation POMYSL_TS3 # request to SCWRL produces command: ulimit -t 62 ; scwrl3 -i /var/tmp/to_scwrl_778076227.pdb -s /var/tmp/to_scwrl_778076227.seq -o /var/tmp/from_scwrl_778076227.pdb > /var/tmp/scwrl_778076227.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_778076227.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 65 # copying to AlignedFragments data structure # naming current conformation POMYSL_TS4 # request to SCWRL produces command: ulimit -t 62 ; scwrl3 -i /var/tmp/to_scwrl_1528178778.pdb -s /var/tmp/to_scwrl_1528178778.seq -o /var/tmp/from_scwrl_1528178778.pdb > /var/tmp/scwrl_1528178778.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1528178778.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 39 # copying to AlignedFragments data structure # naming current conformation POMYSL_TS5 # request to SCWRL produces command: ulimit -t 62 ; scwrl3 -i /var/tmp/to_scwrl_611268779.pdb -s /var/tmp/to_scwrl_611268779.seq -o /var/tmp/from_scwrl_611268779.pdb > /var/tmp/scwrl_611268779.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_611268779.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 62 ; scwrl3 -i /var/tmp/to_scwrl_921148268.pdb -s /var/tmp/to_scwrl_921148268.seq -o /var/tmp/from_scwrl_921148268.pdb > /var/tmp/scwrl_921148268.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_921148268.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 62 ; scwrl3 -i /var/tmp/to_scwrl_1109941702.pdb -s /var/tmp/to_scwrl_1109941702.seq -o /var/tmp/from_scwrl_1109941702.pdb > /var/tmp/scwrl_1109941702.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1109941702.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 62 ; scwrl3 -i /var/tmp/to_scwrl_1743955227.pdb -s /var/tmp/to_scwrl_1743955227.seq -o /var/tmp/from_scwrl_1743955227.pdb > /var/tmp/scwrl_1743955227.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1743955227.pdb # conformation set from SCWRL output # naming current conformation PROTINFO-AB_TS3-scwrl # ReadConformPDB reading from PDB file servers/PROTINFO-AB_TS4.pdb.gz looking for model 1 # naming current conformation PROTINFO-AB_TS4 # request to SCWRL produces command: ulimit -t 62 ; scwrl3 -i /var/tmp/to_scwrl_738628017.pdb -s /var/tmp/to_scwrl_738628017.seq -o /var/tmp/from_scwrl_738628017.pdb > /var/tmp/scwrl_738628017.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_738628017.pdb # conformation set from SCWRL output # naming current conformation PROTINFO-AB_TS4-scwrl # ReadConformPDB reading from PDB file servers/PROTINFO-AB_TS5.pdb.gz looking for model 1 # naming current conformation PROTINFO-AB_TS5 # request to SCWRL produces command: ulimit -t 62 ; scwrl3 -i /var/tmp/to_scwrl_1570971349.pdb -s /var/tmp/to_scwrl_1570971349.seq -o /var/tmp/from_scwrl_1570971349.pdb > /var/tmp/scwrl_1570971349.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1570971349.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 # Found a chain break before 37 # copying to AlignedFragments data structure # naming current conformation PROTINFO_TS1 # request to SCWRL produces command: ulimit -t 62 ; scwrl3 -i /var/tmp/to_scwrl_1504031418.pdb -s /var/tmp/to_scwrl_1504031418.seq -o /var/tmp/from_scwrl_1504031418.pdb > /var/tmp/scwrl_1504031418.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1504031418.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 # WARNING: incomplete conformation T0348 can't currently be optimized by undertaker # naming current conformation PROTINFO_TS2 # request to SCWRL produces command: ulimit -t 62 ; scwrl3 -i /var/tmp/to_scwrl_779108953.pdb -s /var/tmp/to_scwrl_779108953.seq -o /var/tmp/from_scwrl_779108953.pdb > /var/tmp/scwrl_779108953.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_779108953.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 46 # copying to AlignedFragments data structure # naming current conformation PROTINFO_TS3 # request to SCWRL produces command: ulimit -t 62 ; scwrl3 -i /var/tmp/to_scwrl_1309276730.pdb -s /var/tmp/to_scwrl_1309276730.seq -o /var/tmp/from_scwrl_1309276730.pdb > /var/tmp/scwrl_1309276730.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1309276730.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 # Found a chain break before 37 # copying to AlignedFragments data structure # naming current conformation PROTINFO_TS4 # request to SCWRL produces command: ulimit -t 62 ; scwrl3 -i /var/tmp/to_scwrl_1241610705.pdb -s /var/tmp/to_scwrl_1241610705.seq -o /var/tmp/from_scwrl_1241610705.pdb > /var/tmp/scwrl_1241610705.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1241610705.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 # WARNING: incomplete conformation T0348 can't currently be optimized by undertaker # naming current conformation PROTINFO_TS5 # request to SCWRL produces command: ulimit -t 62 ; scwrl3 -i /var/tmp/to_scwrl_314126883.pdb -s /var/tmp/to_scwrl_314126883.seq -o /var/tmp/from_scwrl_314126883.pdb > /var/tmp/scwrl_314126883.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_314126883.pdb # conformation set from SCWRL output # naming current conformation PROTINFO_TS5-scwrl # ReadConformPDB reading from PDB file servers/Pcons6_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0348 can't currently be optimized by undertaker # naming current conformation Pcons6_TS1 # request to SCWRL produces command: ulimit -t 62 ; scwrl3 -i /var/tmp/to_scwrl_1154399249.pdb -s /var/tmp/to_scwrl_1154399249.seq -o /var/tmp/from_scwrl_1154399249.pdb > /var/tmp/scwrl_1154399249.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1154399249.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 T0348 can't currently be optimized by undertaker # naming current conformation Pcons6_TS2 # request to SCWRL produces command: ulimit -t 62 ; scwrl3 -i /var/tmp/to_scwrl_169817835.pdb -s /var/tmp/to_scwrl_169817835.seq -o /var/tmp/from_scwrl_169817835.pdb > /var/tmp/scwrl_169817835.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_169817835.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 # WARNING: incomplete conformation T0348 can't currently be optimized by undertaker # naming current conformation Pcons6_TS3 # request to SCWRL produces command: ulimit -t 62 ; scwrl3 -i /var/tmp/to_scwrl_555940875.pdb -s /var/tmp/to_scwrl_555940875.seq -o /var/tmp/from_scwrl_555940875.pdb > /var/tmp/scwrl_555940875.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_555940875.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 # WARNING: incomplete conformation T0348 can't currently be optimized by undertaker # naming current conformation Pcons6_TS4 # request to SCWRL produces command: ulimit -t 62 ; scwrl3 -i /var/tmp/to_scwrl_785618717.pdb -s /var/tmp/to_scwrl_785618717.seq -o /var/tmp/from_scwrl_785618717.pdb > /var/tmp/scwrl_785618717.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_785618717.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 # WARNING: incomplete conformation T0348 can't currently be optimized by undertaker # naming current conformation Pcons6_TS5 # request to SCWRL produces command: ulimit -t 62 ; scwrl3 -i /var/tmp/to_scwrl_1362076006.pdb -s /var/tmp/to_scwrl_1362076006.seq -o /var/tmp/from_scwrl_1362076006.pdb > /var/tmp/scwrl_1362076006.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1362076006.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 T0348 can't currently be optimized by undertaker # naming current conformation Phyre-1_TS1 # request to SCWRL produces command: ulimit -t 62 ; scwrl3 -i /var/tmp/to_scwrl_964126769.pdb -s /var/tmp/to_scwrl_964126769.seq -o /var/tmp/from_scwrl_964126769.pdb > /var/tmp/scwrl_964126769.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_964126769.pdb # conformation set from SCWRL output # naming current conformation Phyre-1_TS1-scwrl # ReadConformPDB reading from PDB file servers/Phyre-2_TS1.pdb.gz looking for model 1 # Found a chain break before 65 # copying to AlignedFragments data structure # naming current conformation Phyre-2_TS1 # request to SCWRL produces command: ulimit -t 62 ; scwrl3 -i /var/tmp/to_scwrl_34676753.pdb -s /var/tmp/to_scwrl_34676753.seq -o /var/tmp/from_scwrl_34676753.pdb > /var/tmp/scwrl_34676753.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_34676753.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 65 # copying to AlignedFragments data structure # naming current conformation Phyre-2_TS2 # request to SCWRL produces command: ulimit -t 62 ; scwrl3 -i /var/tmp/to_scwrl_1288428928.pdb -s /var/tmp/to_scwrl_1288428928.seq -o /var/tmp/from_scwrl_1288428928.pdb > /var/tmp/scwrl_1288428928.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1288428928.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 65 # copying to AlignedFragments data structure # naming current conformation Phyre-2_TS3 # request to SCWRL produces command: ulimit -t 62 ; scwrl3 -i /var/tmp/to_scwrl_1021223640.pdb -s /var/tmp/to_scwrl_1021223640.seq -o /var/tmp/from_scwrl_1021223640.pdb > /var/tmp/scwrl_1021223640.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1021223640.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 # naming current conformation Phyre-2_TS4 # request to SCWRL produces command: ulimit -t 62 ; scwrl3 -i /var/tmp/to_scwrl_1856368490.pdb -s /var/tmp/to_scwrl_1856368490.seq -o /var/tmp/from_scwrl_1856368490.pdb > /var/tmp/scwrl_1856368490.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1856368490.pdb # conformation set from SCWRL output # naming current conformation Phyre-2_TS4-scwrl # ReadConformPDB reading from PDB file servers/Phyre-2_TS5.pdb.gz looking for model 1 # Found a chain break before 20 # copying to AlignedFragments data structure # naming current conformation Phyre-2_TS5 # request to SCWRL produces command: ulimit -t 62 ; scwrl3 -i /var/tmp/to_scwrl_1913596888.pdb -s /var/tmp/to_scwrl_1913596888.seq -o /var/tmp/from_scwrl_1913596888.pdb > /var/tmp/scwrl_1913596888.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1913596888.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 T0348 can't currently be optimized by undertaker # naming current conformation Pmodeller6_TS1 # request to SCWRL produces command: ulimit -t 62 ; scwrl3 -i /var/tmp/to_scwrl_692276000.pdb -s /var/tmp/to_scwrl_692276000.seq -o /var/tmp/from_scwrl_692276000.pdb > /var/tmp/scwrl_692276000.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_692276000.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 # WARNING: incomplete conformation T0348 can't currently be optimized by undertaker # naming current conformation Pmodeller6_TS2 # request to SCWRL produces command: ulimit -t 62 ; scwrl3 -i /var/tmp/to_scwrl_223673956.pdb -s /var/tmp/to_scwrl_223673956.seq -o /var/tmp/from_scwrl_223673956.pdb > /var/tmp/scwrl_223673956.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_223673956.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 # WARNING: incomplete conformation T0348 can't currently be optimized by undertaker # naming current conformation Pmodeller6_TS3 # request to SCWRL produces command: ulimit -t 62 ; scwrl3 -i /var/tmp/to_scwrl_1205669966.pdb -s /var/tmp/to_scwrl_1205669966.seq -o /var/tmp/from_scwrl_1205669966.pdb > /var/tmp/scwrl_1205669966.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1205669966.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 T0348 can't currently be optimized by undertaker # naming current conformation Pmodeller6_TS4 # request to SCWRL produces command: ulimit -t 62 ; scwrl3 -i /var/tmp/to_scwrl_102096822.pdb -s /var/tmp/to_scwrl_102096822.seq -o /var/tmp/from_scwrl_102096822.pdb > /var/tmp/scwrl_102096822.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_102096822.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 62 ; scwrl3 -i /var/tmp/to_scwrl_1272949710.pdb -s /var/tmp/to_scwrl_1272949710.seq -o /var/tmp/from_scwrl_1272949710.pdb > /var/tmp/scwrl_1272949710.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1272949710.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 # naming current conformation RAPTOR-ACE_TS1 # request to SCWRL produces command: ulimit -t 62 ; scwrl3 -i /var/tmp/to_scwrl_1914275822.pdb -s /var/tmp/to_scwrl_1914275822.seq -o /var/tmp/from_scwrl_1914275822.pdb > /var/tmp/scwrl_1914275822.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1914275822.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 # naming current conformation RAPTOR-ACE_TS2 # request to SCWRL produces command: ulimit -t 62 ; scwrl3 -i /var/tmp/to_scwrl_179246882.pdb -s /var/tmp/to_scwrl_179246882.seq -o /var/tmp/from_scwrl_179246882.pdb > /var/tmp/scwrl_179246882.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_179246882.pdb # conformation set from SCWRL output # naming current conformation RAPTOR-ACE_TS2-scwrl # ReadConformPDB reading from PDB file servers/RAPTOR-ACE_TS3.pdb.gz looking for model 1 # naming current conformation RAPTOR-ACE_TS3 # request to SCWRL produces command: ulimit -t 62 ; scwrl3 -i /var/tmp/to_scwrl_2051025937.pdb -s /var/tmp/to_scwrl_2051025937.seq -o /var/tmp/from_scwrl_2051025937.pdb > /var/tmp/scwrl_2051025937.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2051025937.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 # Found a chain break before 10 # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS4 # request to SCWRL produces command: ulimit -t 62 ; scwrl3 -i /var/tmp/to_scwrl_1294970953.pdb -s /var/tmp/to_scwrl_1294970953.seq -o /var/tmp/from_scwrl_1294970953.pdb > /var/tmp/scwrl_1294970953.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1294970953.pdb # conformation set from SCWRL output # naming current conformation RAPTOR-ACE_TS4-scwrl # ReadConformPDB reading from PDB file servers/RAPTOR-ACE_TS5.pdb.gz looking for model 1 # Found a chain break before 17 # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS5 # request to SCWRL produces command: ulimit -t 62 ; scwrl3 -i /var/tmp/to_scwrl_790515661.pdb -s /var/tmp/to_scwrl_790515661.seq -o /var/tmp/from_scwrl_790515661.pdb > /var/tmp/scwrl_790515661.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_790515661.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 # naming current conformation RAPTORESS_TS1 # request to SCWRL produces command: ulimit -t 62 ; scwrl3 -i /var/tmp/to_scwrl_824690558.pdb -s /var/tmp/to_scwrl_824690558.seq -o /var/tmp/from_scwrl_824690558.pdb > /var/tmp/scwrl_824690558.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_824690558.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 36 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS2 # request to SCWRL produces command: ulimit -t 62 ; scwrl3 -i /var/tmp/to_scwrl_257429010.pdb -s /var/tmp/to_scwrl_257429010.seq -o /var/tmp/from_scwrl_257429010.pdb > /var/tmp/scwrl_257429010.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_257429010.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 36 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS3 # request to SCWRL produces command: ulimit -t 62 ; scwrl3 -i /var/tmp/to_scwrl_386987242.pdb -s /var/tmp/to_scwrl_386987242.seq -o /var/tmp/from_scwrl_386987242.pdb > /var/tmp/scwrl_386987242.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_386987242.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 36 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS4 # request to SCWRL produces command: ulimit -t 62 ; scwrl3 -i /var/tmp/to_scwrl_1563318574.pdb -s /var/tmp/to_scwrl_1563318574.seq -o /var/tmp/from_scwrl_1563318574.pdb > /var/tmp/scwrl_1563318574.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1563318574.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 42 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS5 # request to SCWRL produces command: ulimit -t 62 ; scwrl3 -i /var/tmp/to_scwrl_1828400359.pdb -s /var/tmp/to_scwrl_1828400359.seq -o /var/tmp/from_scwrl_1828400359.pdb > /var/tmp/scwrl_1828400359.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1828400359.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 # naming current conformation RAPTOR_TS1 # request to SCWRL produces command: ulimit -t 62 ; scwrl3 -i /var/tmp/to_scwrl_1891018660.pdb -s /var/tmp/to_scwrl_1891018660.seq -o /var/tmp/from_scwrl_1891018660.pdb > /var/tmp/scwrl_1891018660.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1891018660.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 62 ; scwrl3 -i /var/tmp/to_scwrl_194943881.pdb -s /var/tmp/to_scwrl_194943881.seq -o /var/tmp/from_scwrl_194943881.pdb > /var/tmp/scwrl_194943881.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_194943881.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 40 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS3 # request to SCWRL produces command: ulimit -t 62 ; scwrl3 -i /var/tmp/to_scwrl_990193443.pdb -s /var/tmp/to_scwrl_990193443.seq -o /var/tmp/from_scwrl_990193443.pdb > /var/tmp/scwrl_990193443.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_990193443.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 62 ; scwrl3 -i /var/tmp/to_scwrl_985145719.pdb -s /var/tmp/to_scwrl_985145719.seq -o /var/tmp/from_scwrl_985145719.pdb > /var/tmp/scwrl_985145719.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_985145719.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 21 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS5 # request to SCWRL produces command: ulimit -t 62 ; scwrl3 -i /var/tmp/to_scwrl_509070764.pdb -s /var/tmp/to_scwrl_509070764.seq -o /var/tmp/from_scwrl_509070764.pdb > /var/tmp/scwrl_509070764.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_509070764.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 62 ; scwrl3 -i /var/tmp/to_scwrl_2144592692.pdb -s /var/tmp/to_scwrl_2144592692.seq -o /var/tmp/from_scwrl_2144592692.pdb > /var/tmp/scwrl_2144592692.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2144592692.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 62 ; scwrl3 -i /var/tmp/to_scwrl_1154963554.pdb -s /var/tmp/to_scwrl_1154963554.seq -o /var/tmp/from_scwrl_1154963554.pdb > /var/tmp/scwrl_1154963554.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1154963554.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 62 ; scwrl3 -i /var/tmp/to_scwrl_1065011639.pdb -s /var/tmp/to_scwrl_1065011639.seq -o /var/tmp/from_scwrl_1065011639.pdb > /var/tmp/scwrl_1065011639.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1065011639.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 62 ; scwrl3 -i /var/tmp/to_scwrl_782727762.pdb -s /var/tmp/to_scwrl_782727762.seq -o /var/tmp/from_scwrl_782727762.pdb > /var/tmp/scwrl_782727762.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_782727762.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 62 ; scwrl3 -i /var/tmp/to_scwrl_369555914.pdb -s /var/tmp/to_scwrl_369555914.seq -o /var/tmp/from_scwrl_369555914.pdb > /var/tmp/scwrl_369555914.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_369555914.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 T0348 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation ROKKY_TS1 # request to SCWRL produces command: ulimit -t 62 ; scwrl3 -i /var/tmp/to_scwrl_2029138408.pdb -s /var/tmp/to_scwrl_2029138408.seq -o /var/tmp/from_scwrl_2029138408.pdb > /var/tmp/scwrl_2029138408.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2029138408.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 T0348 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation ROKKY_TS2 # request to SCWRL produces command: ulimit -t 62 ; scwrl3 -i /var/tmp/to_scwrl_817404515.pdb -s /var/tmp/to_scwrl_817404515.seq -o /var/tmp/from_scwrl_817404515.pdb > /var/tmp/scwrl_817404515.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_817404515.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 T0348 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation ROKKY_TS3 # request to SCWRL produces command: ulimit -t 62 ; scwrl3 -i /var/tmp/to_scwrl_1657984842.pdb -s /var/tmp/to_scwrl_1657984842.seq -o /var/tmp/from_scwrl_1657984842.pdb > /var/tmp/scwrl_1657984842.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1657984842.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 T0348 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation ROKKY_TS4 # request to SCWRL produces command: ulimit -t 62 ; scwrl3 -i /var/tmp/to_scwrl_902878401.pdb -s /var/tmp/to_scwrl_902878401.seq -o /var/tmp/from_scwrl_902878401.pdb > /var/tmp/scwrl_902878401.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_902878401.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 T0348 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation ROKKY_TS5 # request to SCWRL produces command: ulimit -t 62 ; scwrl3 -i /var/tmp/to_scwrl_526289359.pdb -s /var/tmp/to_scwrl_526289359.seq -o /var/tmp/from_scwrl_526289359.pdb > /var/tmp/scwrl_526289359.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_526289359.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 T0348 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL1 # request to SCWRL produces command: ulimit -t 62 ; scwrl3 -i /var/tmp/to_scwrl_1424098084.pdb -s /var/tmp/to_scwrl_1424098084.seq -o /var/tmp/from_scwrl_1424098084.pdb > /var/tmp/scwrl_1424098084.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1424098084.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 T0348 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL2 # request to SCWRL produces command: ulimit -t 62 ; scwrl3 -i /var/tmp/to_scwrl_1595154400.pdb -s /var/tmp/to_scwrl_1595154400.seq -o /var/tmp/from_scwrl_1595154400.pdb > /var/tmp/scwrl_1595154400.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1595154400.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 T0348 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL3 # request to SCWRL produces command: ulimit -t 62 ; scwrl3 -i /var/tmp/to_scwrl_749963315.pdb -s /var/tmp/to_scwrl_749963315.seq -o /var/tmp/from_scwrl_749963315.pdb > /var/tmp/scwrl_749963315.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_749963315.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 T0348 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL4 # request to SCWRL produces command: ulimit -t 62 ; scwrl3 -i /var/tmp/to_scwrl_482284404.pdb -s /var/tmp/to_scwrl_482284404.seq -o /var/tmp/from_scwrl_482284404.pdb > /var/tmp/scwrl_482284404.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_482284404.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 T0348 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL5 # request to SCWRL produces command: ulimit -t 62 ; scwrl3 -i /var/tmp/to_scwrl_1697251222.pdb -s /var/tmp/to_scwrl_1697251222.seq -o /var/tmp/from_scwrl_1697251222.pdb > /var/tmp/scwrl_1697251222.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1697251222.pdb # conformation set from SCWRL output # naming current conformation SAM-T02_AL5-scwrl # ReadConformPDB reading from PDB file servers/SAM-T99_AL1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0348 can't currently be optimized by undertaker # naming current conformation SAM-T99_AL1 # request to SCWRL produces command: ulimit -t 62 ; scwrl3 -i /var/tmp/to_scwrl_2022913025.pdb -s /var/tmp/to_scwrl_2022913025.seq -o /var/tmp/from_scwrl_2022913025.pdb > /var/tmp/scwrl_2022913025.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2022913025.pdb # conformation set from SCWRL output # naming current conformation SAM-T99_AL1-scwrl # ReadConformPDB reading from PDB file servers/SAM_T06_server_TS1.pdb.gz looking for model 1 # Found a chain break before 62 # copying to AlignedFragments data structure # naming current conformation SAM_T06_server_TS1 # request to SCWRL produces command: ulimit -t 62 ; scwrl3 -i /var/tmp/to_scwrl_249076579.pdb -s /var/tmp/to_scwrl_249076579.seq -o /var/tmp/from_scwrl_249076579.pdb > /var/tmp/scwrl_249076579.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_249076579.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 T0348 can't currently be optimized by undertaker # naming current conformation SAM_T06_server_TS2 # request to SCWRL produces command: ulimit -t 62 ; scwrl3 -i /var/tmp/to_scwrl_1876498104.pdb -s /var/tmp/to_scwrl_1876498104.seq -o /var/tmp/from_scwrl_1876498104.pdb > /var/tmp/scwrl_1876498104.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1876498104.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 T0348 can't currently be optimized by undertaker # naming current conformation SAM_T06_server_TS3 # request to SCWRL produces command: ulimit -t 62 ; scwrl3 -i /var/tmp/to_scwrl_1926455315.pdb -s /var/tmp/to_scwrl_1926455315.seq -o /var/tmp/from_scwrl_1926455315.pdb > /var/tmp/scwrl_1926455315.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1926455315.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 T0348 can't currently be optimized by undertaker # naming current conformation SAM_T06_server_TS4 # request to SCWRL produces command: ulimit -t 62 ; scwrl3 -i /var/tmp/to_scwrl_1544047533.pdb -s /var/tmp/to_scwrl_1544047533.seq -o /var/tmp/from_scwrl_1544047533.pdb > /var/tmp/scwrl_1544047533.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1544047533.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 T0348 can't currently be optimized by undertaker # naming current conformation SAM_T06_server_TS5 # request to SCWRL produces command: ulimit -t 62 ; scwrl3 -i /var/tmp/to_scwrl_519530119.pdb -s /var/tmp/to_scwrl_519530119.seq -o /var/tmp/from_scwrl_519530119.pdb > /var/tmp/scwrl_519530119.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_519530119.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 # naming current conformation SP3_TS1 # request to SCWRL produces command: ulimit -t 62 ; scwrl3 -i /var/tmp/to_scwrl_603662226.pdb -s /var/tmp/to_scwrl_603662226.seq -o /var/tmp/from_scwrl_603662226.pdb > /var/tmp/scwrl_603662226.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_603662226.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 41 # copying to AlignedFragments data structure # naming current conformation SP3_TS2 # request to SCWRL produces command: ulimit -t 62 ; scwrl3 -i /var/tmp/to_scwrl_1801476543.pdb -s /var/tmp/to_scwrl_1801476543.seq -o /var/tmp/from_scwrl_1801476543.pdb > /var/tmp/scwrl_1801476543.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1801476543.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 8 # copying to AlignedFragments data structure # naming current conformation SP3_TS3 # request to SCWRL produces command: ulimit -t 62 ; scwrl3 -i /var/tmp/to_scwrl_906517361.pdb -s /var/tmp/to_scwrl_906517361.seq -o /var/tmp/from_scwrl_906517361.pdb > /var/tmp/scwrl_906517361.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_906517361.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 # naming current conformation SP3_TS4 # request to SCWRL produces command: ulimit -t 62 ; scwrl3 -i /var/tmp/to_scwrl_19497154.pdb -s /var/tmp/to_scwrl_19497154.seq -o /var/tmp/from_scwrl_19497154.pdb > /var/tmp/scwrl_19497154.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_19497154.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 62 ; scwrl3 -i /var/tmp/to_scwrl_1482393255.pdb -s /var/tmp/to_scwrl_1482393255.seq -o /var/tmp/from_scwrl_1482393255.pdb > /var/tmp/scwrl_1482393255.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1482393255.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 # naming current conformation SP4_TS1 # request to SCWRL produces command: ulimit -t 62 ; scwrl3 -i /var/tmp/to_scwrl_650052374.pdb -s /var/tmp/to_scwrl_650052374.seq -o /var/tmp/from_scwrl_650052374.pdb > /var/tmp/scwrl_650052374.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_650052374.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 8 # copying to AlignedFragments data structure # naming current conformation SP4_TS2 # request to SCWRL produces command: ulimit -t 62 ; scwrl3 -i /var/tmp/to_scwrl_214441035.pdb -s /var/tmp/to_scwrl_214441035.seq -o /var/tmp/from_scwrl_214441035.pdb > /var/tmp/scwrl_214441035.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_214441035.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 62 ; scwrl3 -i /var/tmp/to_scwrl_325103051.pdb -s /var/tmp/to_scwrl_325103051.seq -o /var/tmp/from_scwrl_325103051.pdb > /var/tmp/scwrl_325103051.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_325103051.pdb # conformation set from SCWRL output # naming current conformation SP4_TS3-scwrl # ReadConformPDB reading from PDB file servers/SP4_TS4.pdb.gz looking for model 1 # naming current conformation SP4_TS4 # request to SCWRL produces command: ulimit -t 62 ; scwrl3 -i /var/tmp/to_scwrl_1635198093.pdb -s /var/tmp/to_scwrl_1635198093.seq -o /var/tmp/from_scwrl_1635198093.pdb > /var/tmp/scwrl_1635198093.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1635198093.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 # naming current conformation SP4_TS5 # request to SCWRL produces command: ulimit -t 62 ; scwrl3 -i /var/tmp/to_scwrl_723511799.pdb -s /var/tmp/to_scwrl_723511799.seq -o /var/tmp/from_scwrl_723511799.pdb > /var/tmp/scwrl_723511799.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_723511799.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 # Found a chain break before 26 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS1 # request to SCWRL produces command: ulimit -t 62 ; scwrl3 -i /var/tmp/to_scwrl_322212096.pdb -s /var/tmp/to_scwrl_322212096.seq -o /var/tmp/from_scwrl_322212096.pdb > /var/tmp/scwrl_322212096.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_322212096.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 37 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS2 # request to SCWRL produces command: ulimit -t 62 ; scwrl3 -i /var/tmp/to_scwrl_642678001.pdb -s /var/tmp/to_scwrl_642678001.seq -o /var/tmp/from_scwrl_642678001.pdb > /var/tmp/scwrl_642678001.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_642678001.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 # naming current conformation SPARKS2_TS3 # request to SCWRL produces command: ulimit -t 62 ; scwrl3 -i /var/tmp/to_scwrl_1788523437.pdb -s /var/tmp/to_scwrl_1788523437.seq -o /var/tmp/from_scwrl_1788523437.pdb > /var/tmp/scwrl_1788523437.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1788523437.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 62 ; scwrl3 -i /var/tmp/to_scwrl_1104939858.pdb -s /var/tmp/to_scwrl_1104939858.seq -o /var/tmp/from_scwrl_1104939858.pdb > /var/tmp/scwrl_1104939858.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1104939858.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 43 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS5 # request to SCWRL produces command: ulimit -t 62 ; scwrl3 -i /var/tmp/to_scwrl_1012233915.pdb -s /var/tmp/to_scwrl_1012233915.seq -o /var/tmp/from_scwrl_1012233915.pdb > /var/tmp/scwrl_1012233915.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1012233915.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 T0348 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS1 # request to SCWRL produces command: ulimit -t 62 ; scwrl3 -i /var/tmp/to_scwrl_1670178198.pdb -s /var/tmp/to_scwrl_1670178198.seq -o /var/tmp/from_scwrl_1670178198.pdb > /var/tmp/scwrl_1670178198.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1670178198.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 T0348 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS2 # request to SCWRL produces command: ulimit -t 62 ; scwrl3 -i /var/tmp/to_scwrl_1922344373.pdb -s /var/tmp/to_scwrl_1922344373.seq -o /var/tmp/from_scwrl_1922344373.pdb > /var/tmp/scwrl_1922344373.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1922344373.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 T0348 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS3 # request to SCWRL produces command: ulimit -t 62 ; scwrl3 -i /var/tmp/to_scwrl_522735111.pdb -s /var/tmp/to_scwrl_522735111.seq -o /var/tmp/from_scwrl_522735111.pdb > /var/tmp/scwrl_522735111.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_522735111.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 T0348 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS4 # request to SCWRL produces command: ulimit -t 62 ; scwrl3 -i /var/tmp/to_scwrl_425572953.pdb -s /var/tmp/to_scwrl_425572953.seq -o /var/tmp/from_scwrl_425572953.pdb > /var/tmp/scwrl_425572953.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_425572953.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 T0348 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS5 # request to SCWRL produces command: ulimit -t 62 ; scwrl3 -i /var/tmp/to_scwrl_301150085.pdb -s /var/tmp/to_scwrl_301150085.seq -o /var/tmp/from_scwrl_301150085.pdb > /var/tmp/scwrl_301150085.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_301150085.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 T0348 can't currently be optimized by undertaker # naming current conformation UNI-EID_expm_TS1 # request to SCWRL produces command: ulimit -t 62 ; scwrl3 -i /var/tmp/to_scwrl_1946833195.pdb -s /var/tmp/to_scwrl_1946833195.seq -o /var/tmp/from_scwrl_1946833195.pdb > /var/tmp/scwrl_1946833195.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1946833195.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 T0348 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL1 # request to SCWRL produces command: ulimit -t 62 ; scwrl3 -i /var/tmp/to_scwrl_2020727353.pdb -s /var/tmp/to_scwrl_2020727353.seq -o /var/tmp/from_scwrl_2020727353.pdb > /var/tmp/scwrl_2020727353.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2020727353.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 T0348 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL2 # request to SCWRL produces command: ulimit -t 62 ; scwrl3 -i /var/tmp/to_scwrl_1051113400.pdb -s /var/tmp/to_scwrl_1051113400.seq -o /var/tmp/from_scwrl_1051113400.pdb > /var/tmp/scwrl_1051113400.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1051113400.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 T0348 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL3 # request to SCWRL produces command: ulimit -t 62 ; scwrl3 -i /var/tmp/to_scwrl_281633952.pdb -s /var/tmp/to_scwrl_281633952.seq -o /var/tmp/from_scwrl_281633952.pdb > /var/tmp/scwrl_281633952.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_281633952.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 T0348 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL4 # request to SCWRL produces command: ulimit -t 62 ; scwrl3 -i /var/tmp/to_scwrl_1570494929.pdb -s /var/tmp/to_scwrl_1570494929.seq -o /var/tmp/from_scwrl_1570494929.pdb > /var/tmp/scwrl_1570494929.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1570494929.pdb # conformation set from SCWRL output # naming current conformation UNI-EID_sfst_AL4-scwrl # ReadConformPDB reading from PDB file servers/UNI-EID_sfst_AL5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0348 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL5 # request to SCWRL produces command: ulimit -t 62 ; scwrl3 -i /var/tmp/to_scwrl_926542778.pdb -s /var/tmp/to_scwrl_926542778.seq -o /var/tmp/from_scwrl_926542778.pdb > /var/tmp/scwrl_926542778.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_926542778.pdb # conformation set from SCWRL output # naming current conformation UNI-EID_sfst_AL5-scwrl # ReadConformPDB reading from PDB file servers/Zhang-Server_TS1.pdb.gz looking for model 1 # Found a chain break before 55 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS1 # request to SCWRL produces command: ulimit -t 62 ; scwrl3 -i /var/tmp/to_scwrl_530710532.pdb -s /var/tmp/to_scwrl_530710532.seq -o /var/tmp/from_scwrl_530710532.pdb > /var/tmp/scwrl_530710532.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_530710532.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 45 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS2 # request to SCWRL produces command: ulimit -t 62 ; scwrl3 -i /var/tmp/to_scwrl_1299509386.pdb -s /var/tmp/to_scwrl_1299509386.seq -o /var/tmp/from_scwrl_1299509386.pdb > /var/tmp/scwrl_1299509386.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1299509386.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 64 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS3 # request to SCWRL produces command: ulimit -t 62 ; scwrl3 -i /var/tmp/to_scwrl_705514446.pdb -s /var/tmp/to_scwrl_705514446.seq -o /var/tmp/from_scwrl_705514446.pdb > /var/tmp/scwrl_705514446.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_705514446.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 54 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS4 # request to SCWRL produces command: ulimit -t 62 ; scwrl3 -i /var/tmp/to_scwrl_2074758065.pdb -s /var/tmp/to_scwrl_2074758065.seq -o /var/tmp/from_scwrl_2074758065.pdb > /var/tmp/scwrl_2074758065.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2074758065.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 65 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS5 # request to SCWRL produces command: ulimit -t 62 ; scwrl3 -i /var/tmp/to_scwrl_1819039505.pdb -s /var/tmp/to_scwrl_1819039505.seq -o /var/tmp/from_scwrl_1819039505.pdb > /var/tmp/scwrl_1819039505.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1819039505.pdb # conformation set from SCWRL output # naming current conformation Zhang-Server_TS5-scwrl # ReadConformPDB reading from PDB file servers/beautshot_TS1.pdb.gz looking for model 1 # Found a chain break before 65 # copying to AlignedFragments data structure # naming current conformation beautshot_TS1 # request to SCWRL produces command: ulimit -t 62 ; scwrl3 -i /var/tmp/to_scwrl_1309176672.pdb -s /var/tmp/to_scwrl_1309176672.seq -o /var/tmp/from_scwrl_1309176672.pdb > /var/tmp/scwrl_1309176672.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1309176672.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 T0348 can't currently be optimized by undertaker # naming current conformation beautshotbase_TS1 # request to SCWRL produces command: ulimit -t 62 ; scwrl3 -i /var/tmp/to_scwrl_1728750961.pdb -s /var/tmp/to_scwrl_1728750961.seq -o /var/tmp/from_scwrl_1728750961.pdb > /var/tmp/scwrl_1728750961.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1728750961.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 T0348 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation forecast-s_AL1 # request to SCWRL produces command: ulimit -t 62 ; scwrl3 -i /var/tmp/to_scwrl_578073219.pdb -s /var/tmp/to_scwrl_578073219.seq -o /var/tmp/from_scwrl_578073219.pdb > /var/tmp/scwrl_578073219.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_578073219.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 T0348 can't currently be optimized by undertaker # naming current conformation forecast-s_AL2 # request to SCWRL produces command: ulimit -t 62 ; scwrl3 -i /var/tmp/to_scwrl_1328673826.pdb -s /var/tmp/to_scwrl_1328673826.seq -o /var/tmp/from_scwrl_1328673826.pdb > /var/tmp/scwrl_1328673826.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1328673826.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 T0348 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation forecast-s_AL3 # request to SCWRL produces command: ulimit -t 62 ; scwrl3 -i /var/tmp/to_scwrl_1063660570.pdb -s /var/tmp/to_scwrl_1063660570.seq -o /var/tmp/from_scwrl_1063660570.pdb > /var/tmp/scwrl_1063660570.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1063660570.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 T0348 can't currently be optimized by undertaker # naming current conformation forecast-s_AL4 # request to SCWRL produces command: ulimit -t 62 ; scwrl3 -i /var/tmp/to_scwrl_1228125593.pdb -s /var/tmp/to_scwrl_1228125593.seq -o /var/tmp/from_scwrl_1228125593.pdb > /var/tmp/scwrl_1228125593.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1228125593.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 T0348 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation forecast-s_AL5 # request to SCWRL produces command: ulimit -t 62 ; scwrl3 -i /var/tmp/to_scwrl_1543114861.pdb -s /var/tmp/to_scwrl_1543114861.seq -o /var/tmp/from_scwrl_1543114861.pdb > /var/tmp/scwrl_1543114861.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1543114861.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 # naming current conformation karypis.srv.2_TS1 # request to SCWRL produces command: ulimit -t 62 ; scwrl3 -i /var/tmp/to_scwrl_1388763620.pdb -s /var/tmp/to_scwrl_1388763620.seq -o /var/tmp/from_scwrl_1388763620.pdb > /var/tmp/scwrl_1388763620.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1388763620.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 # Found a chain break before 11 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS2 # request to SCWRL produces command: ulimit -t 62 ; scwrl3 -i /var/tmp/to_scwrl_715840040.pdb -s /var/tmp/to_scwrl_715840040.seq -o /var/tmp/from_scwrl_715840040.pdb > /var/tmp/scwrl_715840040.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_715840040.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 62 ; scwrl3 -i /var/tmp/to_scwrl_119143013.pdb -s /var/tmp/to_scwrl_119143013.seq -o /var/tmp/from_scwrl_119143013.pdb > /var/tmp/scwrl_119143013.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_119143013.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 42 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS4 # request to SCWRL produces command: ulimit -t 62 ; scwrl3 -i /var/tmp/to_scwrl_1710975716.pdb -s /var/tmp/to_scwrl_1710975716.seq -o /var/tmp/from_scwrl_1710975716.pdb > /var/tmp/scwrl_1710975716.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1710975716.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 49 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS5 # request to SCWRL produces command: ulimit -t 62 ; scwrl3 -i /var/tmp/to_scwrl_1358518040.pdb -s /var/tmp/to_scwrl_1358518040.seq -o /var/tmp/from_scwrl_1358518040.pdb > /var/tmp/scwrl_1358518040.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1358518040.pdb # conformation set from SCWRL output # naming current conformation karypis.srv.2_TS5-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv.4_TS1.pdb.gz looking for model 1 # Found a chain break before 65 # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS1 # request to SCWRL produces command: ulimit -t 62 ; scwrl3 -i /var/tmp/to_scwrl_1907666450.pdb -s /var/tmp/to_scwrl_1907666450.seq -o /var/tmp/from_scwrl_1907666450.pdb > /var/tmp/scwrl_1907666450.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1907666450.pdb # conformation set from SCWRL output # naming current conformation karypis.srv.4_TS1-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv.4_TS3.pdb.gz looking for model 1 WARNING: atoms too close: (T0348)H65.O and (T0348)H66.N only 0.000 apart, marking (T0348)H66.N as missing # WARNING: incomplete conformation T0348 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS3 # request to SCWRL produces command: ulimit -t 62 ; scwrl3 -i /var/tmp/to_scwrl_668431928.pdb -s /var/tmp/to_scwrl_668431928.seq -o /var/tmp/from_scwrl_668431928.pdb > /var/tmp/scwrl_668431928.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_668431928.pdb # conformation set from SCWRL output # naming current conformation karypis.srv.4_TS3-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0348 can't currently be optimized by undertaker # naming current conformation karypis.srv_TS1 # request to SCWRL produces command: ulimit -t 62 ; scwrl3 -i /var/tmp/to_scwrl_223268308.pdb -s /var/tmp/to_scwrl_223268308.seq -o /var/tmp/from_scwrl_223268308.pdb > /var/tmp/scwrl_223268308.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_223268308.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 T0348 can't currently be optimized by undertaker # naming current conformation karypis.srv_TS2 # request to SCWRL produces command: ulimit -t 62 ; scwrl3 -i /var/tmp/to_scwrl_1430361002.pdb -s /var/tmp/to_scwrl_1430361002.seq -o /var/tmp/from_scwrl_1430361002.pdb > /var/tmp/scwrl_1430361002.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1430361002.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 T0348 can't currently be optimized by undertaker # naming current conformation karypis.srv_TS3 # request to SCWRL produces command: ulimit -t 62 ; scwrl3 -i /var/tmp/to_scwrl_443292655.pdb -s /var/tmp/to_scwrl_443292655.seq -o /var/tmp/from_scwrl_443292655.pdb > /var/tmp/scwrl_443292655.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_443292655.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 T0348 can't currently be optimized by undertaker # naming current conformation karypis.srv_TS4 # request to SCWRL produces command: ulimit -t 62 ; scwrl3 -i /var/tmp/to_scwrl_746003419.pdb -s /var/tmp/to_scwrl_746003419.seq -o /var/tmp/from_scwrl_746003419.pdb > /var/tmp/scwrl_746003419.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_746003419.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 T0348 can't currently be optimized by undertaker # naming current conformation karypis.srv_TS5 # request to SCWRL produces command: ulimit -t 62 ; scwrl3 -i /var/tmp/to_scwrl_1855933955.pdb -s /var/tmp/to_scwrl_1855933955.seq -o /var/tmp/from_scwrl_1855933955.pdb > /var/tmp/scwrl_1855933955.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1855933955.pdb # conformation set from SCWRL output # naming current conformation karypis.srv_TS5-scwrl # ReadConformPDB reading from PDB file servers/keasar-server_TS1.pdb.gz looking for model 1 # naming current conformation keasar-server_TS1 # request to SCWRL produces command: ulimit -t 62 ; scwrl3 -i /var/tmp/to_scwrl_744442740.pdb -s /var/tmp/to_scwrl_744442740.seq -o /var/tmp/from_scwrl_744442740.pdb > /var/tmp/scwrl_744442740.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_744442740.pdb # conformation set from SCWRL output # naming current conformation keasar-server_TS1-scwrl # ReadConformPDB reading from PDB file servers/keasar-server_TS2.pdb.gz looking for model 1 # naming current conformation keasar-server_TS2 # request to SCWRL produces command: ulimit -t 62 ; scwrl3 -i /var/tmp/to_scwrl_545352967.pdb -s /var/tmp/to_scwrl_545352967.seq -o /var/tmp/from_scwrl_545352967.pdb > /var/tmp/scwrl_545352967.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_545352967.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 62 ; scwrl3 -i /var/tmp/to_scwrl_1729177661.pdb -s /var/tmp/to_scwrl_1729177661.seq -o /var/tmp/from_scwrl_1729177661.pdb > /var/tmp/scwrl_1729177661.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1729177661.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 # naming current conformation keasar-server_TS4 # request to SCWRL produces command: ulimit -t 62 ; scwrl3 -i /var/tmp/to_scwrl_1795556140.pdb -s /var/tmp/to_scwrl_1795556140.seq -o /var/tmp/from_scwrl_1795556140.pdb > /var/tmp/scwrl_1795556140.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1795556140.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 62 ; scwrl3 -i /var/tmp/to_scwrl_826986920.pdb -s /var/tmp/to_scwrl_826986920.seq -o /var/tmp/from_scwrl_826986920.pdb > /var/tmp/scwrl_826986920.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_826986920.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 T0348 can't currently be optimized by undertaker # naming current conformation mGen-3D_TS1 # request to SCWRL produces command: ulimit -t 62 ; scwrl3 -i /var/tmp/to_scwrl_1152188943.pdb -s /var/tmp/to_scwrl_1152188943.seq -o /var/tmp/from_scwrl_1152188943.pdb > /var/tmp/scwrl_1152188943.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1152188943.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 T0348 can't currently be optimized by undertaker # naming current conformation nFOLD_TS1 # request to SCWRL produces command: ulimit -t 62 ; scwrl3 -i /var/tmp/to_scwrl_574615271.pdb -s /var/tmp/to_scwrl_574615271.seq -o /var/tmp/from_scwrl_574615271.pdb > /var/tmp/scwrl_574615271.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_574615271.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 T0348 can't currently be optimized by undertaker # naming current conformation nFOLD_TS2 # request to SCWRL produces command: ulimit -t 62 ; scwrl3 -i /var/tmp/to_scwrl_1357697451.pdb -s /var/tmp/to_scwrl_1357697451.seq -o /var/tmp/from_scwrl_1357697451.pdb > /var/tmp/scwrl_1357697451.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1357697451.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 T0348 can't currently be optimized by undertaker # naming current conformation nFOLD_TS3 # request to SCWRL produces command: ulimit -t 62 ; scwrl3 -i /var/tmp/to_scwrl_304214684.pdb -s /var/tmp/to_scwrl_304214684.seq -o /var/tmp/from_scwrl_304214684.pdb > /var/tmp/scwrl_304214684.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_304214684.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 T0348 can't currently be optimized by undertaker # naming current conformation nFOLD_TS4 # request to SCWRL produces command: ulimit -t 62 ; scwrl3 -i /var/tmp/to_scwrl_1280129717.pdb -s /var/tmp/to_scwrl_1280129717.seq -o /var/tmp/from_scwrl_1280129717.pdb > /var/tmp/scwrl_1280129717.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1280129717.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 T0348 can't currently be optimized by undertaker # naming current conformation nFOLD_TS5 # request to SCWRL produces command: ulimit -t 62 ; scwrl3 -i /var/tmp/to_scwrl_1284971869.pdb -s /var/tmp/to_scwrl_1284971869.seq -o /var/tmp/from_scwrl_1284971869.pdb > /var/tmp/scwrl_1284971869.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1284971869.pdb # conformation set from SCWRL output # naming current conformation nFOLD_TS5-scwrl # ReadConformPDB reading from PDB file servers/shub_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0348 can't currently be optimized by undertaker # naming current conformation shub_TS1 # request to SCWRL produces command: ulimit -t 62 ; scwrl3 -i /var/tmp/to_scwrl_2123254189.pdb -s /var/tmp/to_scwrl_2123254189.seq -o /var/tmp/from_scwrl_2123254189.pdb > /var/tmp/scwrl_2123254189.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2123254189.pdb # conformation set from SCWRL output # naming current conformation shub_TS1-scwrl # command:CPU_time= 32.484 sec, elapsed time= 291.656 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 116.187 real_cost = 228.633 shub_TS1 costs 116.132 real_cost = 210.305 nFOLD_TS5-scwrl costs 126.210 real_cost = 290.597 nFOLD_TS5 costs 126.391 real_cost = 324.415 nFOLD_TS4-scwrl costs 93.551 real_cost = 322.079 nFOLD_TS4 costs 93.342 real_cost = 341.106 nFOLD_TS3-scwrl costs 137.543 real_cost = 320.944 nFOLD_TS3 costs 137.442 real_cost = 347.902 nFOLD_TS2-scwrl costs 133.159 real_cost = 272.945 nFOLD_TS2 costs 133.148 real_cost = 305.431 nFOLD_TS1-scwrl costs 119.298 real_cost = 338.102 nFOLD_TS1 costs 119.280 real_cost = 366.680 mGen-3D_TS1-scwrl costs 97.302 real_cost = 231.135 mGen-3D_TS1 costs 97.429 real_cost = 257.051 keasar-server_TS5-scwrl costs 103.856 real_cost = 163.209 keasar-server_TS5 costs 103.856 real_cost = 199.436 keasar-server_TS4-scwrl costs 96.754 real_cost = 161.968 keasar-server_TS4 costs 96.754 real_cost = 175.459 keasar-server_TS3-scwrl costs 101.432 real_cost = 180.272 keasar-server_TS3 costs 101.432 real_cost = 184.621 keasar-server_TS2-scwrl costs 108.563 real_cost = 127.474 keasar-server_TS2 costs 108.563 real_cost = 154.114 keasar-server_TS1-scwrl costs 87.167 real_cost = 146.495 keasar-server_TS1 costs 87.167 real_cost = 161.093 karypis.srv_TS5-scwrl costs 105.734 real_cost = 319.709 karypis.srv_TS5 costs 105.746 real_cost = 317.914 karypis.srv_TS4-scwrl costs 77.403 real_cost = 345.616 karypis.srv_TS4 costs 77.287 real_cost = 345.247 karypis.srv_TS3-scwrl costs 115.428 real_cost = 312.694 karypis.srv_TS3 costs 115.475 real_cost = 308.853 karypis.srv_TS2-scwrl costs 110.400 real_cost = 331.371 karypis.srv_TS2 costs 110.410 real_cost = 329.236 karypis.srv_TS1-scwrl costs 73.872 real_cost = 316.253 karypis.srv_TS1 costs 73.819 real_cost = 314.253 karypis.srv.4_TS3-scwrl costs 125.482 real_cost = 210.661 karypis.srv.4_TS3 costs 125.482 real_cost = 210.845 karypis.srv.4_TS1-scwrl costs 159.992 real_cost = 310.245 karypis.srv.4_TS1 costs 159.992 real_cost = 310.245 karypis.srv.2_TS5-scwrl costs 87.051 real_cost = 268.207 karypis.srv.2_TS5 costs 87.051 real_cost = 268.207 karypis.srv.2_TS4-scwrl costs 118.372 real_cost = 300.291 karypis.srv.2_TS4 costs 118.372 real_cost = 300.304 karypis.srv.2_TS3-scwrl costs 90.090 real_cost = 230.193 karypis.srv.2_TS3 costs 90.090 real_cost = 230.197 karypis.srv.2_TS2-scwrl costs 101.873 real_cost = 272.574 karypis.srv.2_TS2 costs 101.873 real_cost = 272.506 karypis.srv.2_TS1-scwrl costs 109.865 real_cost = 299.253 karypis.srv.2_TS1 costs 109.865 real_cost = 299.253 forecast-s_AL5-scwrl costs 125.022 real_cost = 303.012 forecast-s_AL5 costs 125.022 real_cost = 354.267 forecast-s_AL4-scwrl costs 146.247 real_cost = 339.338 forecast-s_AL4 costs 146.160 real_cost = 366.073 forecast-s_AL3-scwrl costs 116.896 real_cost = 272.313 forecast-s_AL3 costs 116.896 real_cost = 325.259 forecast-s_AL2-scwrl costs 111.749 real_cost = 302.195 forecast-s_AL2 costs 111.644 real_cost = 343.219 forecast-s_AL1-scwrl costs 132.124 real_cost = 315.842 forecast-s_AL1 costs 132.124 real_cost = 362.683 beautshotbase_TS1-scwrl costs 88.134 real_cost = 158.323 beautshotbase_TS1 costs 88.400 real_cost = 127.115 beautshot_TS1-scwrl costs 104.488 real_cost = 159.774 beautshot_TS1 costs 104.488 real_cost = 161.835 Zhang-Server_TS5-scwrl costs 95.357 real_cost = 194.723 Zhang-Server_TS5 costs 95.357 real_cost = 196.439 Zhang-Server_TS4-scwrl costs 119.046 real_cost = 253.484 Zhang-Server_TS4 costs 119.046 real_cost = 253.780 Zhang-Server_TS3-scwrl costs 89.552 real_cost = 150.912 Zhang-Server_TS3 costs 89.552 real_cost = 152.093 Zhang-Server_TS2-scwrl costs 101.762 real_cost = 155.680 Zhang-Server_TS2 costs 101.762 real_cost = 158.201 Zhang-Server_TS1-scwrl costs 100.522 real_cost = 192.554 Zhang-Server_TS1 costs 100.522 real_cost = 194.154 UNI-EID_sfst_AL5-scwrl costs 119.442 real_cost = 320.125 UNI-EID_sfst_AL5 costs 119.198 real_cost = 230.927 UNI-EID_sfst_AL4-scwrl costs 116.910 real_cost = 277.669 UNI-EID_sfst_AL4 costs 116.939 real_cost = 310.328 UNI-EID_sfst_AL3-scwrl costs 94.203 real_cost = 273.212 UNI-EID_sfst_AL3 costs 94.193 real_cost = 296.174 UNI-EID_sfst_AL2-scwrl costs 131.246 real_cost = 251.656 UNI-EID_sfst_AL2 costs 131.195 real_cost = 283.659 UNI-EID_sfst_AL1-scwrl costs 86.144 real_cost = 165.722 UNI-EID_sfst_AL1 costs 85.854 real_cost = 145.224 UNI-EID_expm_TS1-scwrl costs 116.664 real_cost = 121.241 UNI-EID_expm_TS1 costs 116.634 real_cost = 117.186 UNI-EID_bnmx_TS5-scwrl costs 105.789 real_cost = 124.032 UNI-EID_bnmx_TS5 costs 105.673 real_cost = 152.354 UNI-EID_bnmx_TS4-scwrl costs 113.752 real_cost = 215.120 UNI-EID_bnmx_TS4 costs 113.786 real_cost = 227.838 UNI-EID_bnmx_TS3-scwrl costs 123.867 real_cost = 249.477 UNI-EID_bnmx_TS3 costs 123.885 real_cost = 286.017 UNI-EID_bnmx_TS2-scwrl costs 114.746 real_cost = 209.480 UNI-EID_bnmx_TS2 costs 115.159 real_cost = 215.960 UNI-EID_bnmx_TS1-scwrl costs 127.314 real_cost = 203.065 UNI-EID_bnmx_TS1 costs 127.338 real_cost = 242.354 SPARKS2_TS5-scwrl costs 71.819 real_cost = 281.290 SPARKS2_TS5 costs 71.819 real_cost = 279.771 SPARKS2_TS4-scwrl costs 75.872 real_cost = 280.374 SPARKS2_TS4 costs 75.872 real_cost = 280.263 SPARKS2_TS3-scwrl costs 103.824 real_cost = 185.049 SPARKS2_TS3 costs 103.824 real_cost = 191.655 SPARKS2_TS2-scwrl costs 80.490 real_cost = 253.507 SPARKS2_TS2 costs 80.490 real_cost = 260.289 SPARKS2_TS1-scwrl costs 96.004 real_cost = 269.640 SPARKS2_TS1 costs 96.004 real_cost = 268.469 SP4_TS5-scwrl costs 102.757 real_cost = 289.248 SP4_TS5 costs 102.757 real_cost = 287.622 SP4_TS4-scwrl costs 78.203 real_cost = 175.844 SP4_TS4 costs 78.203 real_cost = 199.018 SP4_TS3-scwrl costs 102.348 real_cost = 142.657 SP4_TS3 costs 102.348 real_cost = 151.780 SP4_TS2-scwrl costs 83.840 real_cost = 231.557 SP4_TS2 costs 83.840 real_cost = 232.634 SP4_TS1-scwrl costs 70.376 real_cost = 270.547 SP4_TS1 costs 70.376 real_cost = 270.590 SP3_TS5-scwrl costs 104.769 real_cost = 161.250 SP3_TS5 costs 104.769 real_cost = 178.670 SP3_TS4-scwrl costs 91.306 real_cost = 165.373 SP3_TS4 costs 91.306 real_cost = 140.136 SP3_TS3-scwrl costs 83.840 real_cost = 231.557 SP3_TS3 costs 83.840 real_cost = 232.634 SP3_TS2-scwrl costs 100.888 real_cost = 180.932 SP3_TS2 costs 100.888 real_cost = 182.757 SP3_TS1-scwrl costs 83.497 real_cost = 265.373 SP3_TS1 costs 83.497 real_cost = 266.344 SAM_T06_server_TS5-scwrl costs 73.570 real_cost = 79.266 SAM_T06_server_TS5 costs 73.527 real_cost = 51.013 SAM_T06_server_TS4-scwrl costs 83.108 real_cost = 127.057 SAM_T06_server_TS4 costs 83.132 real_cost = 147.413 SAM_T06_server_TS3-scwrl costs 84.585 real_cost = 226.680 SAM_T06_server_TS3 costs 84.546 real_cost = 216.738 SAM_T06_server_TS2-scwrl costs 99.558 real_cost = 287.468 SAM_T06_server_TS2 costs 99.516 real_cost = 243.294 SAM_T06_server_TS1-scwrl costs 75.098 real_cost = 98.743 SAM_T06_server_TS1 costs 75.098 real_cost = 91.602 SAM-T99_AL1-scwrl costs 86.870 real_cost = 219.707 SAM-T99_AL1 costs 86.698 real_cost = 232.769 SAM-T02_AL5-scwrl costs 76.863 real_cost = 197.439 SAM-T02_AL5 costs 76.902 real_cost = 163.981 SAM-T02_AL4-scwrl costs 93.707 real_cost = 110.690 SAM-T02_AL4 costs 93.902 real_cost = 146.733 SAM-T02_AL3-scwrl costs 82.813 real_cost = 181.939 SAM-T02_AL3 costs 82.807 real_cost = 168.330 SAM-T02_AL2-scwrl costs 84.116 real_cost = 225.804 SAM-T02_AL2 costs 84.109 real_cost = 184.131 SAM-T02_AL1-scwrl costs 80.875 real_cost = 170.738 SAM-T02_AL1 costs 81.030 real_cost = 188.371 ROKKY_TS5-scwrl costs 66.405 real_cost = 203.842 ROKKY_TS5 costs 66.405 real_cost = 260.091 ROKKY_TS4-scwrl costs 68.678 real_cost = 116.063 ROKKY_TS4 costs 68.678 real_cost = 172.062 ROKKY_TS3-scwrl costs 64.990 real_cost = 95.484 ROKKY_TS3 costs 64.990 real_cost = 145.615 ROKKY_TS2-scwrl costs 59.847 real_cost = 120.267 ROKKY_TS2 costs 59.847 real_cost = 174.573 ROKKY_TS1-scwrl costs 76.034 real_cost = 145.268 ROKKY_TS1 costs 76.034 real_cost = 193.320 ROBETTA_TS5-scwrl costs 52.189 real_cost = 96.478 ROBETTA_TS5 costs 52.189 real_cost = 95.126 ROBETTA_TS4-scwrl costs 61.757 real_cost = 30.071 ROBETTA_TS4 costs 61.757 real_cost = 26.045 ROBETTA_TS3-scwrl costs 66.019 real_cost = 75.672 ROBETTA_TS3 costs 66.019 real_cost = 77.457 ROBETTA_TS2-scwrl costs 42.267 real_cost = 146.280 ROBETTA_TS2 costs 42.267 real_cost = 147.132 ROBETTA_TS1-scwrl costs 40.560 real_cost = 37.362 ROBETTA_TS1 costs 40.560 real_cost = 32.093 RAPTOR_TS5-scwrl costs 91.129 real_cost = 246.018 RAPTOR_TS5 costs 91.129 real_cost = 247.983 RAPTOR_TS4-scwrl costs 105.165 real_cost = 274.782 RAPTOR_TS4 costs 105.165 real_cost = 275.011 RAPTOR_TS3-scwrl costs 97.782 real_cost = 286.631 RAPTOR_TS3 costs 97.782 real_cost = 286.536 RAPTOR_TS2-scwrl costs 98.577 real_cost = 253.820 RAPTOR_TS2 costs 98.577 real_cost = 251.544 RAPTOR_TS1-scwrl costs 98.042 real_cost = 225.986 RAPTOR_TS1 costs 98.042 real_cost = 219.470 RAPTORESS_TS5-scwrl costs 88.293 real_cost = 285.125 RAPTORESS_TS5 costs 88.293 real_cost = 284.849 RAPTORESS_TS4-scwrl costs 98.973 real_cost = 267.830 RAPTORESS_TS4 costs 98.973 real_cost = 271.406 RAPTORESS_TS3-scwrl costs 95.808 real_cost = 256.156 RAPTORESS_TS3 costs 95.808 real_cost = 256.556 RAPTORESS_TS2-scwrl costs 95.202 real_cost = 216.277 RAPTORESS_TS2 costs 95.202 real_cost = 216.383 RAPTORESS_TS1-scwrl costs 106.018 real_cost = 274.489 RAPTORESS_TS1 costs 106.018 real_cost = 275.909 RAPTOR-ACE_TS5-scwrl costs 75.497 real_cost = 241.366 RAPTOR-ACE_TS5 costs 75.497 real_cost = 241.374 RAPTOR-ACE_TS4-scwrl costs 87.589 real_cost = 269.130 RAPTOR-ACE_TS4 costs 87.589 real_cost = 269.105 RAPTOR-ACE_TS3-scwrl costs 79.863 real_cost = 245.978 RAPTOR-ACE_TS3 costs 79.863 real_cost = 246.333 RAPTOR-ACE_TS2-scwrl costs 94.912 real_cost = 300.289 RAPTOR-ACE_TS2 costs 94.912 real_cost = 300.805 RAPTOR-ACE_TS1-scwrl costs 85.750 real_cost = 243.846 RAPTOR-ACE_TS1 costs 85.750 real_cost = 244.322 Pmodeller6_TS5-scwrl costs 66.019 real_cost = 75.672 Pmodeller6_TS5 costs 66.019 real_cost = 77.457 Pmodeller6_TS4-scwrl costs 78.903 real_cost = 119.180 Pmodeller6_TS4 costs 78.897 real_cost = 119.719 Pmodeller6_TS3-scwrl costs 78.515 real_cost = 139.436 Pmodeller6_TS3 costs 78.523 real_cost = 139.737 Pmodeller6_TS2-scwrl costs 82.554 real_cost = 130.616 Pmodeller6_TS2 costs 82.547 real_cost = 131.986 Pmodeller6_TS1-scwrl costs 89.372 real_cost = 52.282 Pmodeller6_TS1 costs 89.384 real_cost = 58.047 Phyre-2_TS5-scwrl costs 82.272 real_cost = 247.400 Phyre-2_TS5 costs 82.272 real_cost = 245.727 Phyre-2_TS4-scwrl costs 81.879 real_cost = 180.631 Phyre-2_TS4 costs 81.879 real_cost = 182.287 Phyre-2_TS3-scwrl costs 62.244 real_cost = 238.244 Phyre-2_TS3 costs 62.244 real_cost = 238.237 Phyre-2_TS2-scwrl costs 79.132 real_cost = 200.560 Phyre-2_TS2 costs 79.132 real_cost = 196.857 Phyre-2_TS1-scwrl costs 68.042 real_cost = 161.740 Phyre-2_TS1 costs 68.042 real_cost = 163.606 Phyre-1_TS1-scwrl costs 101.738 real_cost = 191.032 Phyre-1_TS1 costs 101.813 real_cost = 191.645 Pcons6_TS5-scwrl costs 74.691 real_cost = 135.404 Pcons6_TS5 costs 74.703 real_cost = 130.974 Pcons6_TS4-scwrl costs 82.554 real_cost = 130.616 Pcons6_TS4 costs 82.547 real_cost = 131.986 Pcons6_TS3-scwrl costs 65.078 real_cost = 136.041 Pcons6_TS3 costs 65.034 real_cost = 131.463 Pcons6_TS2-scwrl costs 80.375 real_cost = 166.718 Pcons6_TS2 costs 80.331 real_cost = 163.195 Pcons6_TS1-scwrl costs 78.903 real_cost = 119.180 Pcons6_TS1 costs 78.897 real_cost = 119.719 PROTINFO_TS5-scwrl costs 141.612 real_cost = 223.018 PROTINFO_TS5 costs 141.496 real_cost = 226.173 PROTINFO_TS4-scwrl costs 76.035 real_cost = 131.159 PROTINFO_TS4 costs 76.035 real_cost = 138.152 PROTINFO_TS3-scwrl costs 113.038 real_cost = 168.143 PROTINFO_TS3 costs 113.038 real_cost = 165.385 PROTINFO_TS2-scwrl costs 113.924 real_cost = 169.959 PROTINFO_TS2 costs 113.941 real_cost = 177.221 PROTINFO_TS1-scwrl costs 71.941 real_cost = 116.529 PROTINFO_TS1 costs 71.941 real_cost = 122.052 PROTINFO-AB_TS5-scwrl costs 84.582 real_cost = 163.809 PROTINFO-AB_TS5 costs 84.582 real_cost = 168.970 PROTINFO-AB_TS4-scwrl costs 80.841 real_cost = 153.663 PROTINFO-AB_TS4 costs 80.841 real_cost = 154.605 PROTINFO-AB_TS3-scwrl costs 75.174 real_cost = 151.632 PROTINFO-AB_TS3 costs 75.174 real_cost = 151.972 PROTINFO-AB_TS2-scwrl costs 87.517 real_cost = 168.325 PROTINFO-AB_TS2 costs 87.517 real_cost = 167.274 PROTINFO-AB_TS1-scwrl costs 78.519 real_cost = 154.946 PROTINFO-AB_TS1 costs 78.519 real_cost = 153.457 POMYSL_TS5-scwrl costs 142.618 real_cost = 302.780 POMYSL_TS5 costs 142.618 real_cost = 302.840 POMYSL_TS4-scwrl costs 129.539 real_cost = 331.382 POMYSL_TS4 costs 129.539 real_cost = 331.623 POMYSL_TS3-scwrl costs 142.768 real_cost = 264.366 POMYSL_TS3 costs 142.768 real_cost = 264.473 POMYSL_TS2-scwrl costs 131.188 real_cost = 262.703 POMYSL_TS2 costs 131.188 real_cost = 297.887 POMYSL_TS1-scwrl costs 132.917 real_cost = 281.138 POMYSL_TS1 costs 132.917 real_cost = 281.506 NN_PUT_lab_TS1-scwrl costs 118.731 real_cost = 323.366 NN_PUT_lab_TS1 costs 118.860 real_cost = 363.516 MetaTasser_TS5-scwrl costs 102.242 real_cost = 181.022 MetaTasser_TS5 costs 102.242 real_cost = 169.759 MetaTasser_TS4-scwrl costs 107.734 real_cost = 132.804 MetaTasser_TS4 costs 107.734 real_cost = 152.935 MetaTasser_TS3-scwrl costs 98.141 real_cost = 203.091 MetaTasser_TS3 costs 98.141 real_cost = 186.535 MetaTasser_TS2-scwrl costs 118.756 real_cost = 190.619 MetaTasser_TS2 costs 118.756 real_cost = 189.126 MetaTasser_TS1-scwrl costs 108.274 real_cost = 157.616 MetaTasser_TS1 costs 108.274 real_cost = 162.314 Ma-OPUS-server_TS5-scwrl costs 84.205 real_cost = 275.133 Ma-OPUS-server_TS5 costs 84.205 real_cost = 276.105 Ma-OPUS-server_TS4-scwrl costs 85.734 real_cost = 273.210 Ma-OPUS-server_TS4 costs 85.734 real_cost = 274.297 Ma-OPUS-server_TS3-scwrl costs 85.290 real_cost = 291.301 Ma-OPUS-server_TS3 costs 85.290 real_cost = 292.707 Ma-OPUS-server_TS2-scwrl costs 100.942 real_cost = 249.669 Ma-OPUS-server_TS2 costs 100.942 real_cost = 251.898 Ma-OPUS-server_TS1-scwrl costs 84.942 real_cost = 269.220 Ma-OPUS-server_TS1 costs 84.942 real_cost = 273.010 Ma-OPUS-server2_TS5-scwrl costs 84.085 real_cost = 298.448 Ma-OPUS-server2_TS5 costs 84.085 real_cost = 296.916 Ma-OPUS-server2_TS4-scwrl costs 90.400 real_cost = 241.198 Ma-OPUS-server2_TS4 costs 90.400 real_cost = 245.303 Ma-OPUS-server2_TS3-scwrl costs 96.078 real_cost = 195.463 Ma-OPUS-server2_TS3 costs 96.078 real_cost = 200.091 Ma-OPUS-server2_TS2-scwrl costs 84.205 real_cost = 275.133 Ma-OPUS-server2_TS2 costs 84.205 real_cost = 276.105 Ma-OPUS-server2_TS1-scwrl costs 84.942 real_cost = 269.220 Ma-OPUS-server2_TS1 costs 84.942 real_cost = 273.010 LOOPP_TS5-scwrl costs 95.791 real_cost = 308.351 LOOPP_TS5 costs 95.708 real_cost = 307.599 LOOPP_TS4-scwrl costs 79.259 real_cost = 258.139 LOOPP_TS4 costs 79.216 real_cost = 255.439 LOOPP_TS3-scwrl costs 79.376 real_cost = 310.330 LOOPP_TS3 costs 79.260 real_cost = 309.967 LOOPP_TS2-scwrl costs 88.772 real_cost = 314.985 LOOPP_TS2 costs 89.012 real_cost = 310.242 LOOPP_TS1-scwrl costs 86.705 real_cost = 247.282 LOOPP_TS1 costs 86.472 real_cost = 253.458 Huber-Torda-Server_TS5-scwrl costs 81.950 real_cost = 779.666 Huber-Torda-Server_TS5 costs 81.941 real_cost = 782.666 Huber-Torda-Server_TS4-scwrl costs 83.475 real_cost = 779.666 Huber-Torda-Server_TS4 costs 83.606 real_cost = 782.666 Huber-Torda-Server_TS3-scwrl costs 81.152 real_cost = 779.666 Huber-Torda-Server_TS3 costs 81.143 real_cost = 782.666 Huber-Torda-Server_TS2-scwrl costs 82.556 real_cost = 779.666 Huber-Torda-Server_TS2 costs 82.570 real_cost = 782.666 Huber-Torda-Server_TS1-scwrl costs 83.568 real_cost = 779.666 Huber-Torda-Server_TS1 costs 83.699 real_cost = 782.666 HHpred3_TS1-scwrl costs 103.784 real_cost = 152.379 HHpred3_TS1 costs 103.784 real_cost = 155.829 HHpred2_TS1-scwrl costs 101.918 real_cost = 98.034 HHpred2_TS1 costs 101.918 real_cost = 96.637 HHpred1_TS1-scwrl costs 101.918 real_cost = 98.034 HHpred1_TS1 costs 101.918 real_cost = 96.637 GeneSilicoMetaServer_TS5-scwrl costs 109.676 real_cost = 228.518 GeneSilicoMetaServer_TS5 costs 109.640 real_cost = 227.296 GeneSilicoMetaServer_TS4-scwrl costs 77.106 real_cost = 121.391 GeneSilicoMetaServer_TS4 costs 77.140 real_cost = 107.404 GeneSilicoMetaServer_TS3-scwrl costs 97.862 real_cost = 182.439 GeneSilicoMetaServer_TS3 costs 97.863 real_cost = 170.475 GeneSilicoMetaServer_TS2-scwrl costs 124.763 real_cost = 90.900 GeneSilicoMetaServer_TS2 costs 124.763 real_cost = 107.729 GeneSilicoMetaServer_TS1-scwrl costs 104.654 real_cost = 169.163 GeneSilicoMetaServer_TS1 costs 104.570 real_cost = 178.932 Frankenstein_TS2-scwrl costs 106.678 real_cost = 307.096 Frankenstein_TS2 costs 106.678 real_cost = 307.048 Frankenstein_TS1-scwrl costs 132.978 real_cost = 316.881 Frankenstein_TS1 costs 132.978 real_cost = 316.881 FUNCTION_TS5-scwrl costs 109.984 real_cost = 299.806 FUNCTION_TS5 costs 109.984 real_cost = 300.189 FUNCTION_TS4-scwrl costs 104.614 real_cost = 295.548 FUNCTION_TS4 costs 104.614 real_cost = 295.674 FUNCTION_TS3-scwrl costs 129.456 real_cost = 268.248 FUNCTION_TS3 costs 129.456 real_cost = 268.123 FUNCTION_TS2-scwrl costs 107.201 real_cost = 273.325 FUNCTION_TS2 costs 107.201 real_cost = 273.431 FUNCTION_TS1-scwrl costs 131.886 real_cost = 221.276 FUNCTION_TS1 costs 131.903 real_cost = 231.343 FUGUE_AL5-scwrl costs 124.402 real_cost = 289.820 FUGUE_AL5 costs 124.492 real_cost = 315.786 FUGUE_AL4-scwrl costs 97.257 real_cost = 337.821 FUGUE_AL4 costs 97.257 real_cost = 337.626 FUGUE_AL3-scwrl costs 127.533 real_cost = 367.524 FUGUE_AL3 costs 127.533 real_cost = 367.524 FUGUE_AL2-scwrl costs 96.511 real_cost = 329.055 FUGUE_AL2 costs 96.511 real_cost = 328.515 FUGUE_AL1-scwrl costs 118.731 real_cost = 323.366 FUGUE_AL1 costs 118.860 real_cost = 363.516 FUGMOD_TS5-scwrl costs 127.669 real_cost = 196.097 FUGMOD_TS5 costs 127.669 real_cost = 253.621 FUGMOD_TS4-scwrl costs 100.708 real_cost = 283.566 FUGMOD_TS4 costs 100.708 real_cost = 283.773 FUGMOD_TS3-scwrl costs 117.668 real_cost = 312.983 FUGMOD_TS3 costs 117.668 real_cost = 313.188 FUGMOD_TS2-scwrl costs 115.150 real_cost = 270.656 FUGMOD_TS2 costs 115.150 real_cost = 273.251 FUGMOD_TS1-scwrl costs 112.279 real_cost = 286.446 FUGMOD_TS1 costs 112.279 real_cost = 286.408 FPSOLVER-SERVER_TS5-scwrl costs 145.007 real_cost = 296.189 FPSOLVER-SERVER_TS5 costs 145.007 real_cost = 267.581 FPSOLVER-SERVER_TS4-scwrl costs 134.450 real_cost = 263.394 FPSOLVER-SERVER_TS4 costs 134.450 real_cost = 259.950 FPSOLVER-SERVER_TS3-scwrl costs 145.943 real_cost = 282.904 FPSOLVER-SERVER_TS3 costs 145.943 real_cost = 283.047 FPSOLVER-SERVER_TS2-scwrl costs 132.824 real_cost = 292.248 FPSOLVER-SERVER_TS2 costs 132.824 real_cost = 293.806 FPSOLVER-SERVER_TS1-scwrl costs 118.022 real_cost = 250.882 FPSOLVER-SERVER_TS1 costs 118.022 real_cost = 263.470 FORTE2_AL5-scwrl costs 123.095 real_cost = 233.109 FORTE2_AL5 costs 123.095 real_cost = 281.183 FORTE2_AL4-scwrl costs 126.877 real_cost = 332.878 FORTE2_AL4 costs 126.877 real_cost = 383.991 FORTE2_AL3-scwrl costs 105.950 real_cost = 315.768 FORTE2_AL3 costs 106.019 real_cost = 345.398 FORTE2_AL2-scwrl costs 104.589 real_cost = 387.874 FORTE2_AL2 costs 104.589 real_cost = 387.750 FORTE2_AL1-scwrl costs 121.667 real_cost = 305.668 FORTE2_AL1 costs 121.651 real_cost = 344.711 FORTE1_AL5-scwrl costs 97.777 real_cost = 289.142 FORTE1_AL5 costs 97.777 real_cost = 342.262 FORTE1_AL4-scwrl costs 126.877 real_cost = 332.878 FORTE1_AL4 costs 126.877 real_cost = 383.991 FORTE1_AL3-scwrl costs 104.589 real_cost = 387.874 FORTE1_AL3 costs 104.589 real_cost = 387.750 FORTE1_AL2-scwrl costs 105.950 real_cost = 315.768 FORTE1_AL2 costs 106.019 real_cost = 345.398 FORTE1_AL1-scwrl costs 121.667 real_cost = 305.668 FORTE1_AL1 costs 121.651 real_cost = 344.711 FOLDpro_TS5-scwrl costs 113.065 real_cost = 164.918 FOLDpro_TS5 costs 113.065 real_cost = 166.150 FOLDpro_TS4-scwrl costs 115.357 real_cost = 305.170 FOLDpro_TS4 costs 115.357 real_cost = 305.206 FOLDpro_TS3-scwrl costs 100.969 real_cost = 219.220 FOLDpro_TS3 costs 100.969 real_cost = 218.876 FOLDpro_TS2-scwrl costs 104.322 real_cost = 212.370 FOLDpro_TS2 costs 104.322 real_cost = 193.907 FOLDpro_TS1-scwrl costs 106.279 real_cost = 136.202 FOLDpro_TS1 costs 106.279 real_cost = 126.218 FAMS_TS5-scwrl costs 97.007 real_cost = 261.918 FAMS_TS5 costs 97.007 real_cost = 262.091 FAMS_TS4-scwrl costs 75.028 real_cost = 267.036 FAMS_TS4 costs 75.028 real_cost = 265.951 FAMS_TS3-scwrl costs 81.198 real_cost = 234.385 FAMS_TS3 costs 81.082 real_cost = 241.301 FAMS_TS2-scwrl costs 95.623 real_cost = 214.234 FAMS_TS2 costs 95.623 real_cost = 226.646 FAMS_TS1-scwrl costs 92.836 real_cost = 211.118 FAMS_TS1 costs 92.836 real_cost = 217.338 FAMSD_TS5-scwrl costs 88.256 real_cost = 243.179 FAMSD_TS5 costs 88.256 real_cost = 243.169 FAMSD_TS4-scwrl costs 131.665 real_cost = 317.757 FAMSD_TS4 costs 131.665 real_cost = 317.624 FAMSD_TS3-scwrl costs 89.439 real_cost = 284.206 FAMSD_TS3 costs 89.439 real_cost = 283.872 FAMSD_TS2-scwrl costs 95.475 real_cost = 158.932 FAMSD_TS2 costs 95.475 real_cost = 157.181 FAMSD_TS1-scwrl costs 110.562 real_cost = 237.795 FAMSD_TS1 costs 110.562 real_cost = 239.478 Distill_TS5-scwrl costs 219.968 real_cost = 306.808 Distill_TS4-scwrl costs 229.024 real_cost = 305.023 Distill_TS3-scwrl costs 222.143 real_cost = 301.866 Distill_TS2-scwrl costs 225.910 real_cost = 310.116 Distill_TS1-scwrl costs 227.831 real_cost = 310.025 CaspIta-FOX_TS5-scwrl costs 112.568 real_cost = 328.867 CaspIta-FOX_TS5 costs 112.638 real_cost = 306.924 CaspIta-FOX_TS4-scwrl costs 98.964 real_cost = 262.470 CaspIta-FOX_TS4 costs 99.012 real_cost = 268.959 CaspIta-FOX_TS3-scwrl costs 94.131 real_cost = 136.651 CaspIta-FOX_TS3 costs 94.132 real_cost = 133.802 CaspIta-FOX_TS2-scwrl costs 88.540 real_cost = 333.412 CaspIta-FOX_TS2 costs 88.540 real_cost = 333.414 CaspIta-FOX_TS1-scwrl costs 105.301 real_cost = 357.998 CaspIta-FOX_TS1 costs 105.334 real_cost = 359.466 CIRCLE_TS5-scwrl costs 76.380 real_cost = 234.192 CIRCLE_TS5 costs 76.380 real_cost = 231.117 CIRCLE_TS4-scwrl costs 85.799 real_cost = 221.754 CIRCLE_TS4 costs 85.799 real_cost = 224.118 CIRCLE_TS3-scwrl costs 75.028 real_cost = 267.036 CIRCLE_TS3 costs 75.028 real_cost = 265.951 CIRCLE_TS2-scwrl costs 81.198 real_cost = 234.385 CIRCLE_TS2 costs 81.082 real_cost = 241.301 CIRCLE_TS1-scwrl costs 95.623 real_cost = 214.234 CIRCLE_TS1 costs 95.623 real_cost = 226.646 Bilab-ENABLE_TS5-scwrl costs 83.392 real_cost = 286.502 Bilab-ENABLE_TS5 costs 83.392 real_cost = 286.502 Bilab-ENABLE_TS4-scwrl costs 82.563 real_cost = 292.387 Bilab-ENABLE_TS4 costs 82.563 real_cost = 292.387 Bilab-ENABLE_TS3-scwrl costs 88.919 real_cost = 289.163 Bilab-ENABLE_TS3 costs 88.919 real_cost = 289.163 Bilab-ENABLE_TS2-scwrl costs 82.859 real_cost = 291.124 Bilab-ENABLE_TS2 costs 82.859 real_cost = 291.124 Bilab-ENABLE_TS1-scwrl costs 92.814 real_cost = 282.279 Bilab-ENABLE_TS1 costs 92.814 real_cost = 282.279 BayesHH_TS1-scwrl costs 110.204 real_cost = 189.004 BayesHH_TS1 costs 110.204 real_cost = 187.472 ABIpro_TS5-scwrl costs 75.043 real_cost = 240.081 ABIpro_TS5 costs 75.043 real_cost = 240.081 ABIpro_TS4-scwrl costs 75.523 real_cost = 189.295 ABIpro_TS4 costs 75.523 real_cost = 189.400 ABIpro_TS3-scwrl costs 99.377 real_cost = 195.829 ABIpro_TS3 costs 99.377 real_cost = 195.829 ABIpro_TS2-scwrl costs 88.749 real_cost = 215.301 ABIpro_TS2 costs 88.749 real_cost = 215.235 ABIpro_TS1-scwrl costs 106.906 real_cost = 225.631 ABIpro_TS1 costs 106.906 real_cost = 225.657 3Dpro_TS5-scwrl costs 88.749 real_cost = 215.301 3Dpro_TS5 costs 88.749 real_cost = 215.235 3Dpro_TS4-scwrl costs 106.906 real_cost = 225.631 3Dpro_TS4 costs 106.906 real_cost = 225.657 3Dpro_TS3-scwrl costs 98.345 real_cost = 235.018 3Dpro_TS3 costs 98.345 real_cost = 239.235 3Dpro_TS2-scwrl costs 115.895 real_cost = 286.971 3Dpro_TS2 costs 115.895 real_cost = 287.618 3Dpro_TS1-scwrl costs 103.060 real_cost = 142.988 3Dpro_TS1 costs 103.060 real_cost = 187.662 3D-JIGSAW_TS5-scwrl costs 93.054 real_cost = 300.273 3D-JIGSAW_TS5 costs 93.054 real_cost = 303.847 3D-JIGSAW_TS4-scwrl costs 91.661 real_cost = 327.865 3D-JIGSAW_TS4 costs 91.692 real_cost = 309.550 3D-JIGSAW_TS3-scwrl costs 97.251 real_cost = 273.247 3D-JIGSAW_TS3 costs 97.251 real_cost = 274.489 3D-JIGSAW_TS2-scwrl costs 141.659 real_cost = 279.258 3D-JIGSAW_TS2 costs 141.672 real_cost = 270.025 3D-JIGSAW_TS1-scwrl costs 87.265 real_cost = 266.929 3D-JIGSAW_TS1 costs 87.265 real_cost = 267.143 3D-JIGSAW_RECOM_TS5-scwrl costs 99.172 real_cost = 250.914 3D-JIGSAW_RECOM_TS5 costs 99.172 real_cost = 255.379 3D-JIGSAW_RECOM_TS4-scwrl costs 96.770 real_cost = 246.763 3D-JIGSAW_RECOM_TS4 costs 96.770 real_cost = 250.685 3D-JIGSAW_RECOM_TS3-scwrl costs 97.731 real_cost = 263.308 3D-JIGSAW_RECOM_TS3 costs 97.731 real_cost = 266.883 3D-JIGSAW_RECOM_TS2-scwrl costs 98.147 real_cost = 262.085 3D-JIGSAW_RECOM_TS2 costs 98.147 real_cost = 262.159 3D-JIGSAW_RECOM_TS1-scwrl costs 85.162 real_cost = 264.830 3D-JIGSAW_RECOM_TS1 costs 85.162 real_cost = 268.720 3D-JIGSAW_POPULUS_TS5-scwrl costs 103.192 real_cost = 332.740 3D-JIGSAW_POPULUS_TS5 costs 103.192 real_cost = 332.740 3D-JIGSAW_POPULUS_TS4-scwrl costs 104.793 real_cost = 304.884 3D-JIGSAW_POPULUS_TS4 costs 104.793 real_cost = 304.884 3D-JIGSAW_POPULUS_TS3-scwrl costs 82.123 real_cost = 275.931 3D-JIGSAW_POPULUS_TS3 costs 82.123 real_cost = 275.931 3D-JIGSAW_POPULUS_TS2-scwrl costs 93.127 real_cost = 299.950 3D-JIGSAW_POPULUS_TS2 costs 93.127 real_cost = 299.950 3D-JIGSAW_POPULUS_TS1-scwrl costs 93.323 real_cost = 312.266 3D-JIGSAW_POPULUS_TS1 costs 93.323 real_cost = 312.266 chimera-M1-K60-2-8.pdb.gz costs 56.095 real_cost = 79.391 T0348.try9-opt2.repack-nonPC.pdb.gz costs 72.051 real_cost = 122.671 T0348.try9-opt2.pdb.gz costs 72.051 real_cost = 129.396 T0348.try9-opt2.gromacs0.repack-nonPC.pdb.gz costs 59.040 real_cost = 126.881 T0348.try9-opt2.gromacs0.pdb.gz costs 59.040 real_cost = 128.038 T0348.try9-opt1.pdb.gz costs 67.522 real_cost = 131.055 T0348.try9-opt1-scwrl.pdb.gz costs 67.522 real_cost = 126.218 T0348.try8-opt2.repack-nonPC.pdb.gz costs 60.072 real_cost = 101.650 T0348.try8-opt2.pdb.gz costs 60.072 real_cost = 105.176 T0348.try8-opt2.gromacs0.repack-nonPC.pdb.gz costs 48.092 real_cost = 102.723 T0348.try8-opt2.gromacs0.pdb.gz costs 48.092 real_cost = 108.567 T0348.try8-opt1.pdb.gz costs 53.972 real_cost = 105.075 T0348.try8-opt1-scwrl.pdb.gz costs 53.972 real_cost = 100.198 T0348.try7-opt2.repack-nonPC.pdb.gz costs 80.444 real_cost = 172.486 T0348.try7-opt2.pdb.gz costs 80.444 real_cost = 173.889 T0348.try7-opt2.gromacs0.repack-nonPC.pdb.gz costs 67.171 real_cost = 170.781 T0348.try7-opt2.gromacs0.pdb.gz costs 67.171 real_cost = 176.970 T0348.try7-opt1.pdb.gz costs 78.448 real_cost = 175.644 T0348.try7-opt1-scwrl.pdb.gz costs 78.448 real_cost = 173.799 T0348.try6-opt2.repack-nonPC.pdb.gz costs 63.760 real_cost = 84.883 T0348.try6-opt2.pdb.gz costs 63.760 real_cost = 86.442 T0348.try6-opt2.gromacs0.repack-nonPC.pdb.gz costs 44.850 real_cost = 82.892 T0348.try6-opt2.gromacs0.pdb.gz costs 44.850 real_cost = 89.748 T0348.try6-opt1.pdb.gz costs 63.723 real_cost = 85.289 T0348.try6-opt1-scwrl.pdb.gz costs 63.723 real_cost = 80.541 T0348.try4-opt2.repack-nonPC.pdb.gz costs 63.760 real_cost = 81.663 T0348.try4-opt2.pdb.gz costs 63.760 real_cost = 84.724 T0348.try4-opt2.gromacs0.repack-nonPC.pdb.gz costs 44.576 real_cost = 81.327 T0348.try4-opt2.gromacs0.pdb.gz costs 44.576 real_cost = 86.202 T0348.try4-opt1.pdb.gz costs 61.281 real_cost = 85.952 T0348.try4-opt1-scwrl.pdb.gz costs 61.281 real_cost = 85.875 T0348.try3-opt2.repack-nonPC.pdb.gz costs 94.468 real_cost = 111.339 T0348.try3-opt2.pdb.gz costs 94.468 real_cost = 112.284 T0348.try3-opt2.gromacs0.pdb.gz costs 66.985 real_cost = 112.782 T0348.try3-opt1.pdb.gz costs 85.833 real_cost = 110.993 T0348.try3-opt1-scwrl.pdb.gz costs 85.833 real_cost = 111.565 T0348.try21-opt2.repack-nonPC.pdb.gz costs 64.870 real_cost = 71.959 T0348.try21-opt2.pdb.gz costs 64.870 real_cost = 75.464 T0348.try21-opt2.gromacs0.repack-nonPC.pdb.gz costs 47.394 real_cost = 79.412 T0348.try21-opt2.gromacs0.pdb.gz costs 47.394 real_cost = 81.390 T0348.try21-opt1.pdb.gz costs 56.895 real_cost = 77.266 T0348.try21-opt1-scwrl.pdb.gz costs 56.895 real_cost = 77.340 T0348.try20-opt2.repack-nonPC.pdb.gz costs 56.579 real_cost = 78.314 T0348.try20-opt2.pdb.gz costs 56.579 real_cost = 82.205 T0348.try20-opt2.gromacs0.repack-nonPC.pdb.gz costs 47.587 real_cost = 78.135 T0348.try20-opt2.gromacs0.pdb.gz costs 47.587 real_cost = 78.717 T0348.try20-opt1.pdb.gz costs 56.579 real_cost = 83.147 T0348.try20-opt1-scwrl.pdb.gz costs 56.579 real_cost = 83.638 T0348.try2-opt2.repack-nonPC.pdb.gz costs 80.004 real_cost = 105.918 T0348.try2-opt2.pdb.gz costs 80.004 real_cost = 105.202 T0348.try2-opt2.gromacs0.pdb.gz costs 63.028 real_cost = 99.376 T0348.try2-opt1.pdb.gz costs 70.928 real_cost = 110.208 T0348.try2-opt1-scwrl.pdb.gz costs 70.928 real_cost = 101.081 T0348.try19-opt2.repack-nonPC.pdb.gz costs 58.331 real_cost = 82.113 T0348.try19-opt2.pdb.gz costs 58.331 real_cost = 84.974 T0348.try19-opt2.gromacs0.repack-nonPC.pdb.gz costs 44.950 real_cost = 84.091 T0348.try19-opt2.gromacs0.pdb.gz costs 44.950 real_cost = 88.401 T0348.try19-opt1.pdb.gz costs 58.331 real_cost = 84.857 T0348.try19-opt1-scwrl.pdb.gz costs 58.331 real_cost = 82.526 T0348.try18-opt2.repack-nonPC.pdb.gz costs 56.579 real_cost = 81.641 T0348.try18-opt2.pdb.gz costs 56.579 real_cost = 81.193 T0348.try18-opt2.gromacs0.repack-nonPC.pdb.gz costs 47.947 real_cost = 81.052 T0348.try18-opt2.gromacs0.pdb.gz costs 47.947 real_cost = 80.681 T0348.try18-opt1.pdb.gz costs 56.701 real_cost = 80.497 T0348.try18-opt1-scwrl.pdb.gz costs 56.701 real_cost = 80.492 T0348.try17-opt2.repack-nonPC.pdb.gz costs 58.331 real_cost = 80.102 T0348.try17-opt2.pdb.gz costs 58.331 real_cost = 83.145 T0348.try17-opt2.gromacs0.repack-nonPC.pdb.gz costs 45.376 real_cost = 81.263 T0348.try17-opt2.gromacs0.pdb.gz costs 45.376 real_cost = 86.311 T0348.try17-opt1.pdb.gz costs 58.857 real_cost = 85.900 T0348.try17-opt1-scwrl.pdb.gz costs 58.857 real_cost = 83.578 T0348.try16-opt2.repack-nonPC.pdb.gz costs 131.844 real_cost = 146.216 T0348.try16-opt2.pdb.gz costs 131.844 real_cost = 150.335 T0348.try16-opt2.gromacs0.repack-nonPC.pdb.gz costs 100.123 real_cost = 129.865 T0348.try16-opt2.gromacs0.pdb.gz costs 100.123 real_cost = 148.802 T0348.try16-opt1.pdb.gz costs 115.673 real_cost = 166.951 T0348.try16-opt1-scwrl.pdb.gz costs 115.673 real_cost = 163.622 T0348.try15-opt2.repack-nonPC.pdb.gz costs 54.047 real_cost = 83.064 T0348.try15-opt2.pdb.gz costs 54.047 real_cost = 87.971 T0348.try15-opt2.gromacs0.repack-nonPC.pdb.gz costs 44.850 real_cost = 84.320 T0348.try15-opt2.gromacs0.pdb.gz costs 44.850 real_cost = 90.244 T0348.try15-opt1.pdb.gz costs 58.902 real_cost = 85.595 T0348.try15-opt1-scwrl.pdb.gz costs 58.902 real_cost = 85.412 T0348.try14-opt2.repack-nonPC.pdb.gz costs 139.885 real_cost = 129.093 T0348.try14-opt2.pdb.gz costs 139.885 real_cost = 122.734 T0348.try14-opt2.gromacs0.repack-nonPC.pdb.gz costs 105.533 real_cost = 100.357 T0348.try14-opt2.gromacs0.pdb.gz costs 105.533 real_cost = 133.164 T0348.try14-opt1.pdb.gz costs 105.580 real_cost = 101.342 T0348.try14-opt1-scwrl.pdb.gz costs 105.580 real_cost = 98.562 T0348.try13-opt2.repack-nonPC.pdb.gz costs 54.475 real_cost = 57.202 T0348.try13-opt2.pdb.gz costs 54.475 real_cost = 55.476 T0348.try13-opt2.gromacs0.repack-nonPC.pdb.gz costs 48.104 real_cost = 52.305 T0348.try13-opt2.gromacs0.pdb.gz costs 48.104 real_cost = 54.417 T0348.try13-opt1.pdb.gz costs 54.361 real_cost = 56.516 T0348.try13-opt1-scwrl.pdb.gz costs 54.361 real_cost = 58.445 T0348.try12-opt2.repack-nonPC.pdb.gz costs 62.342 real_cost = 99.132 T0348.try12-opt2.pdb.gz costs 62.342 real_cost = 100.897 T0348.try12-opt2.gromacs0.repack-nonPC.pdb.gz costs 48.659 real_cost = 102.682 T0348.try12-opt2.gromacs0.pdb.gz costs 48.659 real_cost = 101.736 T0348.try12-opt1.pdb.gz costs 59.086 real_cost = 101.836 T0348.try12-opt1-scwrl.pdb.gz costs 59.086 real_cost = 97.960 T0348.try11-opt2.repack-nonPC.pdb.gz costs 59.137 real_cost = 80.702 T0348.try11-opt2.pdb.gz costs 59.137 real_cost = 83.044 T0348.try11-opt2.gromacs0.repack-nonPC.pdb.gz costs 46.803 real_cost = 77.863 T0348.try11-opt2.gromacs0.pdb.gz costs 46.803 real_cost = 80.103 T0348.try11-opt1.pdb.gz costs 48.279 real_cost = 80.309 T0348.try11-opt1-scwrl.pdb.gz costs 48.279 real_cost = 80.282 T0348.try10-opt2.repack-nonPC.pdb.gz costs 64.512 real_cost = 56.312 T0348.try10-opt2.pdb.gz costs 64.512 real_cost = 57.989 T0348.try10-opt2.gromacs0.repack-nonPC.pdb.gz costs 51.009 real_cost = 56.102 T0348.try10-opt2.gromacs0.pdb.gz costs 51.009 real_cost = 58.241 T0348.try10-opt1.pdb.gz costs 60.605 real_cost = 54.382 T0348.try10-opt1-scwrl.pdb.gz costs 60.605 real_cost = 54.906 T0348.try1-opt2.repack-nonPC.pdb.gz costs 56.095 real_cost = 77.223 T0348.try1-opt2.pdb.gz costs 56.095 real_cost = 79.416 T0348.try1-opt2.gromacs0.pdb.gz costs 47.763 real_cost = 79.386 T0348.try1-opt1.pdb.gz costs 51.012 real_cost = 84.442 T0348.try1-opt1-scwrl.pdb.gz costs 51.012 real_cost = 90.406 ../model5.ts-submitted costs 94.468 real_cost = 112.275 ../model4.ts-submitted costs 64.870 real_cost = 75.474 ../model3.ts-submitted costs 58.331 real_cost = 84.602 ../model2.ts-submitted costs 46.803 real_cost = 77.394 ../model1.ts-submitted costs 56.579 real_cost = 82.519 align5 costs 78.482 real_cost = 214.125 align4 costs 81.697 real_cost = 149.616 align3 costs 79.337 real_cost = 32.541 align2 costs 89.963 real_cost = 179.742 align1 costs 85.610 real_cost = 216.440 T0348.try1-opt2.pdb costs 56.095 real_cost = 79.416 model5-scwrl costs 94.468 real_cost = 107.366 model5.ts-submitted costs 94.468 real_cost = 112.275 model4-scwrl costs 64.870 real_cost = 76.214 model4.ts-submitted costs 64.870 real_cost = 75.474 model3-scwrl costs 58.331 real_cost = 81.566 model3.ts-submitted costs 58.331 real_cost = 84.602 model2-scwrl costs 46.803 real_cost = 77.323 model2.ts-submitted costs 46.803 real_cost = 77.394 model1-scwrl costs 56.579 real_cost = 82.171 model1.ts-submitted costs 56.579 real_cost = 82.519 2hf1A costs 75.978 real_cost = -879.000 # command:CPU_time= 153.471 sec, elapsed time= 524.124 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/T0348'