make[1]: Entering directory `/projects/compbio/experiments/protein-predict/casp7/T0359' /projects/compbio/experiments/protein-predict/casp7/starter-directory/Make.main:725: SECONDARY_TARGET = T0359.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/T0359.} ;\ 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/T0359/ -e s/START_COL/1/ \ -e s/COSTFCN/anglevector/ \ -e s/_domain// \ -e s/read-pdb/read-pdb+servers/ \ -e s/REAL_PDB/2iwnA/ \ < /projects/compbio/experiments/protein-predict/casp7/starter-directory/evaluate.under \ | nice -2 /cse/grads/jarchie/projects/cvs/karplus/undertaker/undertaker # command:# Seed set to 1182979113 # 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= 9.702 sec, elapsed time= 9.838 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= 9.821 sec, elapsed time= 9.980 sec. # command:# Prefix for input files set to # command:# Making conformation for sequence T0359 numbered 1 through 97 Created new target T0359 from T0359.a2m # command:# command:# No conformations to remove in PopConform # command:# cleared Id set # command:# command:2iwnA expands to /projects/compbio/data/pdb/2iwn.pdb.gz 2iwnA:Skipped atom 15, because occupancy 0.5 <= existing 0.500 in 2iwnA Skipped atom 16, because occupancy 0.500 <= existing 0.500 in 2iwnA Skipped atom 17, because occupancy 0.500 <= existing 0.500 in 2iwnA Skipped atom 33, because occupancy 0.500 <= existing 0.500 in 2iwnA Skipped atom 34, because occupancy 0.500 <= existing 0.500 in 2iwnA Skipped atom 35, because occupancy 0.500 <= existing 0.500 in 2iwnA Skipped atom 36, because occupancy 0.500 <= existing 0.500 in 2iwnA Skipped atom 37, because occupancy 0.500 <= existing 0.500 in 2iwnA Skipped atom 38, because occupancy 0.500 <= existing 0.500 in 2iwnA Skipped atom 165, because occupancy 0.250 <= existing 0.250 in 2iwnA Skipped atom 166, because occupancy 0.250 <= existing 0.250 in 2iwnA Skipped atom 167, because occupancy 0.250 <= existing 0.250 in 2iwnA Skipped atom 168, because occupancy 0.250 <= existing 0.250 in 2iwnA Skipped atom 169, because occupancy 0.250 <= existing 0.250 in 2iwnA Skipped atom 170, because occupancy 0.250 <= existing 0.250 in 2iwnA Skipped atom 171, because occupancy 0.250 <= existing 0.250 in 2iwnA Skipped atom 172, because occupancy 0.250 <= existing 0.250 in 2iwnA Skipped atom 173, because occupancy 0.250 <= existing 0.250 in 2iwnA Skipped atom 174, because occupancy 0.250 <= existing 0.250 in 2iwnA Skipped atom 175, because occupancy 0.250 <= existing 0.250 in 2iwnA Skipped atom 176, because occupancy 0.250 <= existing 0.250 in 2iwnA Skipped atom 228, because occupancy 0.500 <= existing 0.500 in 2iwnA Skipped atom 229, because occupancy 0.500 <= existing 0.500 in 2iwnA Skipped atom 463, because occupancy 0.500 <= existing 0.500 in 2iwnA Skipped atom 464, because occupancy 0.500 <= existing 0.500 in 2iwnA Skipped atom 465, because occupancy 0.500 <= existing 0.500 in 2iwnA Skipped atom 466, because occupancy 0.500 <= existing 0.500 in 2iwnA Skipped atom 662, because occupancy 0.500 <= existing 0.500 in 2iwnA Skipped atom 663, because occupancy 0.500 <= existing 0.500 in 2iwnA Skipped atom 664, because occupancy 0.500 <= existing 0.500 in 2iwnA Read 93 residues and 690 atoms. # WARNING: incomplete conformation T0359 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= 13.871 sec, elapsed time= 14.173 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 94 # 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 = -85.753 # GDT_score(maxd=8.000,maxw=2.900)= -87.703 # GDT_score(maxd=8.000,maxw=3.200)= -85.357 # GDT_score(maxd=8.000,maxw=3.500)= -82.749 # GDT_score(maxd=10.000,maxw=3.800)= -84.390 # GDT_score(maxd=10.000,maxw=4.000)= -82.621 # GDT_score(maxd=10.000,maxw=4.200)= -80.812 # GDT_score(maxd=12.000,maxw=4.300)= -83.366 # GDT_score(maxd=12.000,maxw=4.500)= -81.627 # GDT_score(maxd=12.000,maxw=4.700)= -79.919 # GDT_score(maxd=14.000,maxw=5.200)= -78.423 # GDT_score(maxd=14.000,maxw=5.500)= -75.679 # command:# Prefix for output files set to # command:Warning: Couldn't open file T0359.model1-real.pdb for output Error: Couldn't open file T0359.model1-real.pdb for output superimposing iter= 0 total_weight= 1061.000 rmsd (weighted)= 2.995 (unweighted)= 8.128 superimposing iter= 1 total_weight= 3600.645 rmsd (weighted)= 1.071 (unweighted)= 8.051 superimposing iter= 2 total_weight= 1695.168 rmsd (weighted)= 0.656 (unweighted)= 8.066 superimposing iter= 3 total_weight= 972.901 rmsd (weighted)= 0.545 (unweighted)= 8.077 superimposing iter= 4 total_weight= 790.723 rmsd (weighted)= 0.505 (unweighted)= 8.084 superimposing iter= 5 total_weight= 736.782 rmsd (weighted)= 0.486 (unweighted)= 8.089 EXPDTA model1.ts-submitted MODEL 1 REMARK 44 REMARK 44 model 1 is called model1.ts-submitted ATOM 1 N SER A 1 13.233 5.639 -8.089 1.00 0.00 ATOM 2 CA SER A 1 12.291 4.803 -8.856 1.00 0.00 ATOM 3 CB SER A 1 13.058 3.759 -9.651 1.00 0.00 ATOM 4 OG SER A 1 13.994 4.415 -10.486 1.00 0.00 ATOM 5 O SER A 1 10.884 2.959 -8.210 1.00 0.00 ATOM 6 C SER A 1 11.179 4.138 -8.036 1.00 0.00 ATOM 7 N MET A 2 10.535 4.904 -7.179 1.00 0.00 ATOM 8 CA MET A 2 9.451 4.406 -6.315 1.00 0.00 ATOM 9 CB MET A 2 10.066 4.183 -4.927 1.00 0.00 ATOM 10 CG MET A 2 10.314 5.492 -4.138 1.00 0.00 ATOM 11 SD MET A 2 10.563 5.294 -2.341 1.00 0.00 ATOM 12 CE MET A 2 9.576 3.838 -2.114 1.00 0.00 ATOM 13 O MET A 2 8.400 6.530 -6.724 1.00 0.00 ATOM 14 C MET A 2 8.308 5.422 -6.194 1.00 0.00 ATOM 15 N SER A 3 7.475 5.162 -5.197 1.00 0.00 ATOM 16 CA SER A 3 6.467 6.125 -4.780 1.00 0.00 ATOM 17 CB SER A 3 5.181 5.629 -5.404 1.00 0.00 ATOM 18 OG SER A 3 4.723 4.395 -4.866 1.00 0.00 ATOM 19 O SER A 3 6.417 5.255 -2.552 1.00 0.00 ATOM 20 C SER A 3 6.385 6.254 -3.262 1.00 0.00 ATOM 21 N GLU A 4 6.168 7.490 -2.838 1.00 0.00 ATOM 22 CA GLU A 4 5.914 7.827 -1.434 1.00 0.00 ATOM 23 CB GLU A 4 7.112 8.713 -0.951 1.00 0.00 ATOM 24 CG GLU A 4 8.483 8.017 -1.171 1.00 0.00 ATOM 25 CD GLU A 4 9.568 9.082 -1.281 1.00 0.00 ATOM 26 OE1 GLU A 4 10.110 9.458 -0.220 1.00 0.00 ATOM 27 OE2 GLU A 4 9.828 9.538 -2.404 1.00 0.00 ATOM 28 O GLU A 4 4.054 9.232 -2.002 1.00 0.00 ATOM 29 C GLU A 4 4.474 8.327 -1.291 1.00 0.00 ATOM 30 N THR A 5 3.683 7.602 -0.508 1.00 0.00 ATOM 31 CA THR A 5 2.289 7.944 -0.162 1.00 0.00 ATOM 32 CB THR A 5 1.516 6.679 0.251 1.00 0.00 ATOM 33 CG2 THR A 5 0.034 6.997 0.442 1.00 0.00 ATOM 34 OG1 THR A 5 1.608 5.678 -0.764 1.00 0.00 ATOM 35 O THR A 5 2.849 8.821 2.027 1.00 0.00 ATOM 36 C THR A 5 2.263 8.994 0.952 1.00 0.00 ATOM 37 N PHE A 6 1.542 10.055 0.635 1.00 0.00 ATOM 38 CA PHE A 6 1.296 11.203 1.521 1.00 0.00 ATOM 39 CB PHE A 6 1.887 12.453 0.881 1.00 0.00 ATOM 40 CG PHE A 6 3.399 12.405 0.945 1.00 0.00 ATOM 41 CD1 PHE A 6 4.139 11.918 -0.124 1.00 0.00 ATOM 42 CD2 PHE A 6 4.019 13.024 2.008 1.00 0.00 ATOM 43 CE1 PHE A 6 5.526 12.079 -0.138 1.00 0.00 ATOM 44 CE2 PHE A 6 5.390 13.168 1.968 1.00 0.00 ATOM 45 CZ PHE A 6 6.149 12.712 0.917 1.00 0.00 ATOM 46 O PHE A 6 -0.955 11.379 0.736 1.00 0.00 ATOM 47 C PHE A 6 -0.186 11.517 1.687 1.00 0.00 ATOM 48 N ASP A 7 -0.474 12.157 2.818 1.00 0.00 ATOM 49 CA ASP A 7 -1.818 12.702 3.083 1.00 0.00 ATOM 50 CB ASP A 7 -2.370 12.173 4.420 1.00 0.00 ATOM 51 CG ASP A 7 -2.532 10.655 4.501 1.00 0.00 ATOM 52 OD1 ASP A 7 -2.473 9.965 3.460 1.00 0.00 ATOM 53 OD2 ASP A 7 -2.749 10.205 5.648 1.00 0.00 ATOM 54 O ASP A 7 -0.905 14.819 3.779 1.00 0.00 ATOM 55 C ASP A 7 -1.767 14.222 3.120 1.00 0.00 ATOM 56 N VAL A 8 -2.583 14.813 2.257 1.00 0.00 ATOM 57 CA VAL A 8 -2.628 16.277 2.068 1.00 0.00 ATOM 58 CB VAL A 8 -2.125 16.634 0.664 1.00 0.00 ATOM 59 CG1 VAL A 8 -2.379 18.104 0.345 1.00 0.00 ATOM 60 CG2 VAL A 8 -0.636 16.298 0.524 1.00 0.00 ATOM 61 O VAL A 8 -4.967 16.411 1.517 1.00 0.00 ATOM 62 C VAL A 8 -4.067 16.768 2.275 1.00 0.00 ATOM 63 N GLU A 9 -4.209 17.645 3.263 1.00 0.00 ATOM 64 CA GLU A 9 -5.481 18.305 3.559 1.00 0.00 ATOM 65 CB GLU A 9 -5.660 18.469 5.070 1.00 0.00 ATOM 66 CG GLU A 9 -7.007 19.109 5.457 1.00 0.00 ATOM 67 CD GLU A 9 -7.274 19.125 6.963 1.00 0.00 ATOM 68 OE1 GLU A 9 -6.378 18.701 7.724 1.00 0.00 ATOM 69 OE2 GLU A 9 -8.319 19.705 7.351 1.00 0.00 ATOM 70 O GLU A 9 -4.630 20.513 3.250 1.00 0.00 ATOM 71 C GLU A 9 -5.474 19.685 2.915 1.00 0.00 ATOM 72 N LEU A 10 -6.475 19.910 2.093 1.00 0.00 ATOM 73 CA LEU A 10 -6.668 21.225 1.468 1.00 0.00 ATOM 74 CB LEU A 10 -6.581 21.149 -0.045 1.00 0.00 ATOM 75 CG LEU A 10 -5.265 20.601 -0.549 1.00 0.00 ATOM 76 CD1 LEU A 10 -5.519 20.452 -2.029 1.00 0.00 ATOM 77 CD2 LEU A 10 -4.102 21.549 -0.324 1.00 0.00 ATOM 78 O LEU A 10 -8.977 21.119 2.199 1.00 0.00 ATOM 79 C LEU A 10 -8.003 21.814 1.909 1.00 0.00 ATOM 80 N THR A 11 -7.977 23.164 2.007 1.00 0.00 ATOM 81 CA THR A 11 -9.192 23.962 2.158 1.00 0.00 ATOM 82 CB THR A 11 -9.077 24.897 3.385 1.00 0.00 ATOM 83 CG2 THR A 11 -10.302 25.802 3.563 1.00 0.00 ATOM 84 OG1 THR A 11 -8.964 24.111 4.567 1.00 0.00 ATOM 85 O THR A 11 -8.574 25.499 0.434 1.00 0.00 ATOM 86 C THR A 11 -9.414 24.716 0.857 1.00 0.00 ATOM 87 N LYS A 12 -10.547 24.430 0.248 1.00 0.00 ATOM 88 CA LYS A 12 -10.945 25.097 -0.999 1.00 0.00 ATOM 89 CB LYS A 12 -12.318 24.584 -1.431 1.00 0.00 ATOM 90 CG LYS A 12 -12.756 25.191 -2.760 1.00 0.00 ATOM 91 CD LYS A 12 -14.101 24.684 -3.251 1.00 0.00 ATOM 92 CE LYS A 12 -14.504 25.364 -4.550 1.00 0.00 ATOM 93 NZ LYS A 12 -15.794 24.852 -5.026 1.00 0.00 ATOM 94 O LYS A 12 -11.646 27.110 0.129 1.00 0.00 ATOM 95 C LYS A 12 -10.996 26.619 -0.798 1.00 0.00 ATOM 96 N ASN A 13 -10.406 27.336 -1.750 1.00 0.00 ATOM 97 CA ASN A 13 -10.625 28.800 -1.861 1.00 0.00 ATOM 98 CB ASN A 13 -9.408 29.508 -2.482 1.00 0.00 ATOM 99 CG ASN A 13 -9.093 28.999 -3.879 1.00 0.00 ATOM 100 ND2 ASN A 13 -7.979 29.313 -4.407 1.00 0.00 ATOM 101 OD1 ASN A 13 -9.887 28.415 -4.566 1.00 0.00 ATOM 102 O ASN A 13 -12.558 28.122 -3.150 1.00 0.00 ATOM 103 C ASN A 13 -11.879 29.052 -2.702 1.00 0.00 ATOM 104 N VAL A 14 -12.135 30.320 -3.000 1.00 0.00 ATOM 105 CA VAL A 14 -13.277 30.671 -3.873 1.00 0.00 ATOM 106 CB VAL A 14 -13.410 32.205 -4.001 1.00 0.00 ATOM 107 CG1 VAL A 14 -14.451 32.535 -5.030 1.00 0.00 ATOM 108 CG2 VAL A 14 -13.710 32.827 -2.599 1.00 0.00 ATOM 109 O VAL A 14 -14.048 29.643 -5.858 1.00 0.00 ATOM 110 C VAL A 14 -13.069 30.030 -5.234 1.00 0.00 ATOM 111 N GLN A 15 -11.825 29.871 -5.713 1.00 0.00 ATOM 112 CA GLN A 15 -11.577 29.290 -7.049 1.00 0.00 ATOM 113 CB GLN A 15 -10.347 29.997 -7.620 1.00 0.00 ATOM 114 CG GLN A 15 -10.530 31.496 -7.853 1.00 0.00 ATOM 115 CD GLN A 15 -11.710 31.800 -8.771 1.00 0.00 ATOM 116 OE1 GLN A 15 -11.967 31.234 -9.813 1.00 0.00 ATOM 117 NE2 GLN A 15 -12.506 32.748 -8.356 1.00 0.00 ATOM 118 O GLN A 15 -10.858 27.202 -8.041 1.00 0.00 ATOM 119 C GLN A 15 -11.351 27.760 -7.052 1.00 0.00 ATOM 120 N GLY A 16 -11.589 27.098 -5.927 1.00 0.00 ATOM 121 CA GLY A 16 -11.418 25.640 -5.846 1.00 0.00 ATOM 122 O GLY A 16 -9.646 25.901 -4.184 1.00 0.00 ATOM 123 C GLY A 16 -10.135 25.244 -5.094 1.00 0.00 ATOM 124 N LEU A 17 -9.730 24.010 -5.397 1.00 0.00 ATOM 125 CA LEU A 17 -8.495 23.424 -4.842 1.00 0.00 ATOM 126 CB LEU A 17 -8.473 21.900 -5.023 1.00 0.00 ATOM 127 CG LEU A 17 -9.563 21.152 -4.257 1.00 0.00 ATOM 128 CD1 LEU A 17 -9.428 19.662 -4.571 1.00 0.00 ATOM 129 CD2 LEU A 17 -9.428 21.319 -2.743 1.00 0.00 ATOM 130 O LEU A 17 -6.232 24.226 -4.899 1.00 0.00 ATOM 131 C LEU A 17 -7.285 24.061 -5.516 1.00 0.00 ATOM 132 N GLY A 18 -7.429 24.447 -6.787 1.00 0.00 ATOM 133 CA GLY A 18 -6.331 25.069 -7.508 1.00 0.00 ATOM 134 O GLY A 18 -4.188 24.347 -8.315 1.00 0.00 ATOM 135 C GLY A 18 -5.403 24.124 -8.243 1.00 0.00 ATOM 136 N ILE A 19 -5.953 23.065 -8.860 1.00 0.00 ATOM 137 CA ILE A 19 -5.153 22.103 -9.602 1.00 0.00 ATOM 138 CB ILE A 19 -4.537 20.966 -8.783 1.00 0.00 ATOM 139 CG1 ILE A 19 -5.580 20.182 -7.971 1.00 0.00 ATOM 140 CG2 ILE A 19 -3.402 21.511 -7.942 1.00 0.00 ATOM 141 CD1 ILE A 19 -5.012 18.919 -7.299 1.00 0.00 ATOM 142 O ILE A 19 -7.240 21.442 -10.596 1.00 0.00 ATOM 143 C ILE A 19 -6.019 21.470 -10.690 1.00 0.00 ATOM 144 N THR A 20 -5.303 20.920 -11.658 1.00 0.00 ATOM 145 CA THR A 20 -5.935 20.149 -12.740 1.00 0.00 ATOM 146 CB THR A 20 -5.871 20.883 -14.114 1.00 0.00 ATOM 147 CG2 THR A 20 -6.356 22.317 -14.027 1.00 0.00 ATOM 148 OG1 THR A 20 -4.513 21.082 -14.523 1.00 0.00 ATOM 149 O THR A 20 -4.160 18.551 -12.441 1.00 0.00 ATOM 150 C THR A 20 -5.323 18.760 -12.782 1.00 0.00 ATOM 151 N ILE A 21 -6.061 17.889 -13.463 1.00 0.00 ATOM 152 CA ILE A 21 -5.732 16.460 -13.539 1.00 0.00 ATOM 153 CB ILE A 21 -6.653 15.610 -12.644 1.00 0.00 ATOM 154 CG1 ILE A 21 -8.116 15.713 -13.081 1.00 0.00 ATOM 155 CG2 ILE A 21 -6.464 16.047 -11.198 1.00 0.00 ATOM 156 CD1 ILE A 21 -9.052 14.671 -12.467 1.00 0.00 ATOM 157 O ILE A 21 -6.527 16.508 -15.798 1.00 0.00 ATOM 158 C ILE A 21 -5.778 15.967 -14.981 1.00 0.00 ATOM 159 N ALA A 22 -5.154 14.811 -15.155 1.00 0.00 ATOM 160 CA ALA A 22 -5.179 14.040 -16.401 1.00 0.00 ATOM 161 CB ALA A 22 -4.090 14.538 -17.364 1.00 0.00 ATOM 162 O ALA A 22 -4.110 12.261 -15.213 1.00 0.00 ATOM 163 C ALA A 22 -4.928 12.565 -16.075 1.00 0.00 ATOM 164 N GLY A 23 -5.638 11.690 -16.778 1.00 0.00 ATOM 165 CA GLY A 23 -5.373 10.231 -16.723 1.00 0.00 ATOM 166 O GLY A 23 -6.553 9.341 -14.868 1.00 0.00 ATOM 167 C GLY A 23 -6.400 9.302 -16.076 1.00 0.00 ATOM 168 N TYR A 24 -6.757 8.263 -16.847 1.00 0.00 ATOM 169 CA TYR A 24 -7.696 7.216 -16.402 1.00 0.00 ATOM 170 CB TYR A 24 -9.095 7.805 -16.467 1.00 0.00 ATOM 171 CG TYR A 24 -9.558 8.195 -17.870 1.00 0.00 ATOM 172 CD1 TYR A 24 -9.046 9.351 -18.430 1.00 0.00 ATOM 173 CD2 TYR A 24 -10.571 7.500 -18.520 1.00 0.00 ATOM 174 CE1 TYR A 24 -9.522 9.805 -19.640 1.00 0.00 ATOM 175 CE2 TYR A 24 -11.049 7.937 -19.745 1.00 0.00 ATOM 176 CZ TYR A 24 -10.530 9.099 -20.285 1.00 0.00 ATOM 177 OH TYR A 24 -11.075 9.589 -21.415 1.00 0.00 ATOM 178 O TYR A 24 -7.052 5.970 -18.369 1.00 0.00 ATOM 179 C TYR A 24 -7.694 5.990 -17.308 1.00 0.00 ATOM 180 N ILE A 25 -8.546 5.026 -16.979 1.00 0.00 ATOM 181 CA ILE A 25 -8.720 3.854 -17.847 1.00 0.00 ATOM 182 CB ILE A 25 -9.481 2.721 -17.119 1.00 0.00 ATOM 183 CG1 ILE A 25 -8.781 2.350 -15.808 1.00 0.00 ATOM 184 CG2 ILE A 25 -9.598 1.496 -18.013 1.00 0.00 ATOM 185 CD1 ILE A 25 -9.519 1.308 -14.990 1.00 0.00 ATOM 186 O ILE A 25 -10.616 4.586 -19.124 1.00 0.00 ATOM 187 C ILE A 25 -9.429 4.274 -19.139 1.00 0.00 ATOM 188 N GLY A 26 -8.790 3.975 -20.251 1.00 0.00 ATOM 189 CA GLY A 26 -9.392 4.305 -21.546 1.00 0.00 ATOM 190 O GLY A 26 -8.914 5.741 -23.328 1.00 0.00 ATOM 191 C GLY A 26 -8.720 5.524 -22.144 1.00 0.00 ATOM 192 N ASP A 27 -7.977 6.250 -21.444 1.00 0.00 ATOM 193 CA ASP A 27 -7.311 7.445 -21.967 1.00 0.00 ATOM 194 CB ASP A 27 -8.293 8.563 -22.294 1.00 0.00 ATOM 195 CG ASP A 27 -7.741 9.810 -22.949 1.00 0.00 ATOM 196 OD1 ASP A 27 -6.901 9.684 -23.863 1.00 0.00 ATOM 197 OD2 ASP A 27 -8.109 10.880 -22.418 1.00 0.00 ATOM 198 O ASP A 27 -5.999 8.514 -20.108 1.00 0.00 ATOM 199 C ASP A 27 -6.119 7.736 -21.055 1.00 0.00 ATOM 200 N LYS A 28 -5.229 6.650 -21.460 1.00 0.00 ATOM 201 CA LYS A 28 -3.965 6.440 -20.734 1.00 0.00 ATOM 202 CB LYS A 28 -3.253 5.152 -21.157 1.00 0.00 ATOM 203 CG LYS A 28 -3.915 3.859 -20.694 1.00 0.00 ATOM 204 CD LYS A 28 -3.065 2.688 -21.173 1.00 0.00 ATOM 205 CE LYS A 28 -3.693 1.365 -20.758 1.00 0.00 ATOM 206 NZ LYS A 28 -2.850 0.244 -21.165 1.00 0.00 ATOM 207 O LYS A 28 -2.618 7.767 -22.202 1.00 0.00 ATOM 208 C LYS A 28 -2.990 7.564 -21.042 1.00 0.00 ATOM 209 N LYS A 29 -2.574 8.234 -19.995 1.00 0.00 ATOM 210 CA LYS A 29 -1.486 9.225 -20.118 1.00 0.00 ATOM 211 CB LYS A 29 -1.339 9.956 -18.772 1.00 0.00 ATOM 212 CG LYS A 29 -0.161 10.916 -18.693 1.00 0.00 ATOM 213 CD LYS A 29 -0.249 11.957 -19.793 1.00 0.00 ATOM 214 CE LYS A 29 0.385 13.193 -19.241 1.00 0.00 ATOM 215 NZ LYS A 29 -0.046 14.176 -20.195 1.00 0.00 ATOM 216 O LYS A 29 -0.014 8.467 -21.862 1.00 0.00 ATOM 217 C LYS A 29 -0.378 8.342 -20.684 1.00 0.00 ATOM 218 N LEU A 30 0.160 7.442 -19.869 1.00 0.00 ATOM 219 CA LEU A 30 1.265 6.609 -20.337 1.00 0.00 ATOM 220 CB LEU A 30 2.289 6.620 -19.297 1.00 0.00 ATOM 221 CG LEU A 30 3.040 7.957 -19.251 1.00 0.00 ATOM 222 CD1 LEU A 30 4.146 7.884 -18.217 1.00 0.00 ATOM 223 CD2 LEU A 30 3.620 8.278 -20.630 1.00 0.00 ATOM 224 O LEU A 30 -0.767 5.369 -20.002 1.00 0.00 ATOM 225 C LEU A 30 0.440 5.332 -20.259 1.00 0.00 ATOM 226 N GLU A 31 1.058 4.022 -20.379 1.00 0.00 ATOM 227 CA GLU A 31 0.429 2.701 -20.269 1.00 0.00 ATOM 228 CB GLU A 31 1.408 1.575 -20.298 1.00 0.00 ATOM 229 CG GLU A 31 1.999 1.346 -21.693 1.00 0.00 ATOM 230 CD GLU A 31 0.947 1.208 -22.782 1.00 0.00 ATOM 231 OE1 GLU A 31 0.004 0.399 -22.637 1.00 0.00 ATOM 232 OE2 GLU A 31 1.058 1.911 -23.803 1.00 0.00 ATOM 233 O GLU A 31 -1.363 1.948 -18.858 1.00 0.00 ATOM 234 C GLU A 31 -0.413 2.723 -18.964 1.00 0.00 ATOM 235 N PRO A 32 0.035 3.453 -17.926 1.00 0.00 ATOM 236 CA PRO A 32 -0.746 3.684 -16.704 1.00 0.00 ATOM 237 CB PRO A 32 0.099 4.714 -15.974 1.00 0.00 ATOM 238 CG PRO A 32 1.478 4.142 -16.209 1.00 0.00 ATOM 239 CD PRO A 32 1.443 3.660 -17.678 1.00 0.00 ATOM 240 O PRO A 32 -2.385 5.037 -17.939 1.00 0.00 ATOM 241 C PRO A 32 -2.120 4.313 -16.983 1.00 0.00 ATOM 242 N SER A 33 -2.976 3.952 -16.052 1.00 0.00 ATOM 243 CA SER A 33 -4.375 4.385 -16.032 1.00 0.00 ATOM 244 CB SER A 33 -5.241 3.130 -15.977 1.00 0.00 ATOM 245 OG SER A 33 -5.229 2.473 -14.707 1.00 0.00 ATOM 246 O SER A 33 -5.813 5.501 -14.472 1.00 0.00 ATOM 247 C SER A 33 -4.647 5.231 -14.793 1.00 0.00 ATOM 248 N GLY A 34 -3.537 5.660 -14.067 1.00 0.00 ATOM 249 CA GLY A 34 -3.673 6.465 -12.870 1.00 0.00 ATOM 250 O GLY A 34 -3.743 8.443 -14.271 1.00 0.00 ATOM 251 C GLY A 34 -4.036 7.926 -13.195 1.00 0.00 ATOM 252 N ILE A 35 -4.561 8.568 -12.165 1.00 0.00 ATOM 253 CA ILE A 35 -4.910 10.001 -12.224 1.00 0.00 ATOM 254 CB ILE A 35 -6.138 10.314 -11.350 1.00 0.00 ATOM 255 CG1 ILE A 35 -7.304 9.458 -11.845 1.00 0.00 ATOM 256 CG2 ILE A 35 -6.499 11.805 -11.397 1.00 0.00 ATOM 257 CD1 ILE A 35 -8.492 9.435 -10.897 1.00 0.00 ATOM 258 O ILE A 35 -3.231 10.658 -10.656 1.00 0.00 ATOM 259 C ILE A 35 -3.732 10.846 -11.757 1.00 0.00 ATOM 260 N PHE A 36 -3.290 11.799 -12.606 1.00 0.00 ATOM 261 CA PHE A 36 -2.168 12.648 -12.255 1.00 0.00 ATOM 262 CB PHE A 36 -0.984 12.368 -13.212 1.00 0.00 ATOM 263 CG PHE A 36 -0.609 10.908 -13.326 1.00 0.00 ATOM 264 CD1 PHE A 36 -0.012 10.245 -12.251 1.00 0.00 ATOM 265 CD2 PHE A 36 -0.848 10.207 -14.504 1.00 0.00 ATOM 266 CE1 PHE A 36 0.343 8.899 -12.351 1.00 0.00 ATOM 267 CE2 PHE A 36 -0.502 8.856 -14.625 1.00 0.00 ATOM 268 CZ PHE A 36 0.094 8.202 -13.543 1.00 0.00 ATOM 269 O PHE A 36 -3.336 14.656 -12.940 1.00 0.00 ATOM 270 C PHE A 36 -2.528 14.108 -12.148 1.00 0.00 ATOM 271 N VAL A 37 -1.866 14.821 -11.156 1.00 0.00 ATOM 272 CA VAL A 37 -1.901 16.265 -11.153 1.00 0.00 ATOM 273 CB VAL A 37 -1.364 16.780 -9.815 1.00 0.00 ATOM 274 CG1 VAL A 37 -1.360 18.314 -9.751 1.00 0.00 ATOM 275 CG2 VAL A 37 -2.206 16.258 -8.650 1.00 0.00 ATOM 276 O VAL A 37 0.105 16.490 -12.488 1.00 0.00 ATOM 277 C VAL A 37 -1.072 16.811 -12.322 1.00 0.00 ATOM 278 N LYS A 38 -1.695 17.669 -13.108 1.00 0.00 ATOM 279 CA LYS A 38 -0.996 18.220 -14.276 1.00 0.00 ATOM 280 CB LYS A 38 -1.792 18.044 -15.531 1.00 0.00 ATOM 281 CG LYS A 38 -2.018 16.567 -15.865 1.00 0.00 ATOM 282 CD LYS A 38 -0.688 15.811 -15.888 1.00 0.00 ATOM 283 CE LYS A 38 -0.872 14.301 -15.820 1.00 0.00 ATOM 284 NZ LYS A 38 0.439 13.595 -15.627 1.00 0.00 ATOM 285 O LYS A 38 0.260 20.204 -14.724 1.00 0.00 ATOM 286 C LYS A 38 -0.731 19.731 -14.160 1.00 0.00 ATOM 287 N SER A 39 -1.412 20.426 -13.249 1.00 0.00 ATOM 288 CA SER A 39 -1.090 21.829 -12.955 1.00 0.00 ATOM 289 CB SER A 39 -1.796 22.740 -13.935 1.00 0.00 ATOM 290 OG SER A 39 -1.516 24.141 -13.737 1.00 0.00 ATOM 291 O SER A 39 -2.595 21.739 -11.108 1.00 0.00 ATOM 292 C SER A 39 -1.558 22.227 -11.566 1.00 0.00 ATOM 293 N ILE A 40 -0.762 23.095 -10.959 1.00 0.00 ATOM 294 CA ILE A 40 -1.081 23.665 -9.639 1.00 0.00 ATOM 295 CB ILE A 40 -0.022 23.271 -8.595 1.00 0.00 ATOM 296 CG1 ILE A 40 0.050 21.752 -8.489 1.00 0.00 ATOM 297 CG2 ILE A 40 -0.362 23.912 -7.238 1.00 0.00 ATOM 298 CD1 ILE A 40 1.242 21.285 -7.661 1.00 0.00 ATOM 299 O ILE A 40 -0.104 25.808 -10.006 1.00 0.00 ATOM 300 C ILE A 40 -1.121 25.180 -9.798 1.00 0.00 ATOM 301 N THR A 41 -2.315 25.738 -9.656 1.00 0.00 ATOM 302 CA THR A 41 -2.525 27.179 -9.843 1.00 0.00 ATOM 303 CB THR A 41 -4.018 27.526 -9.721 1.00 0.00 ATOM 304 CG2 THR A 41 -4.268 29.031 -9.872 1.00 0.00 ATOM 305 OG1 THR A 41 -4.769 26.772 -10.688 1.00 0.00 ATOM 306 O THR A 41 -1.817 27.775 -7.613 1.00 0.00 ATOM 307 C THR A 41 -1.683 27.962 -8.817 1.00 0.00 ATOM 308 N LYS A 42 -1.031 28.995 -9.318 1.00 0.00 ATOM 309 CA LYS A 42 -0.341 29.928 -8.414 1.00 0.00 ATOM 310 CB LYS A 42 0.466 30.949 -9.217 1.00 0.00 ATOM 311 CG LYS A 42 1.292 31.858 -8.317 1.00 0.00 ATOM 312 CD LYS A 42 2.132 32.759 -9.196 1.00 0.00 ATOM 313 CE LYS A 42 2.815 33.813 -8.340 1.00 0.00 ATOM 314 NZ LYS A 42 3.592 34.672 -9.229 1.00 0.00 ATOM 315 O LYS A 42 -2.468 31.005 -8.049 1.00 0.00 ATOM 316 C LYS A 42 -1.384 30.664 -7.564 1.00 0.00 ATOM 317 N SER A 43 -1.044 30.810 -6.295 1.00 0.00 ATOM 318 CA SER A 43 -1.858 31.479 -5.268 1.00 0.00 ATOM 319 CB SER A 43 -2.204 32.914 -5.726 1.00 0.00 ATOM 320 OG SER A 43 -1.038 33.710 -5.841 1.00 0.00 ATOM 321 O SER A 43 -3.887 31.151 -4.050 1.00 0.00 ATOM 322 C SER A 43 -3.102 30.668 -4.859 1.00 0.00 ATOM 323 N SER A 44 -3.275 29.439 -5.361 1.00 0.00 ATOM 324 CA SER A 44 -4.416 28.575 -5.021 1.00 0.00 ATOM 325 CB SER A 44 -4.548 27.446 -6.034 1.00 0.00 ATOM 326 OG SER A 44 -3.401 26.614 -6.033 1.00 0.00 ATOM 327 O SER A 44 -3.150 27.879 -3.086 1.00 0.00 ATOM 328 C SER A 44 -4.214 27.815 -3.699 1.00 0.00 ATOM 329 N ALA A 45 -5.234 27.059 -3.297 1.00 0.00 ATOM 330 CA ALA A 45 -5.205 26.292 -2.027 1.00 0.00 ATOM 331 CB ALA A 45 -6.537 25.594 -1.810 1.00 0.00 ATOM 332 O ALA A 45 -3.343 25.098 -1.066 1.00 0.00 ATOM 333 C ALA A 45 -4.072 25.246 -2.053 1.00 0.00 ATOM 334 N VAL A 46 -3.967 24.507 -3.156 1.00 0.00 ATOM 335 CA VAL A 46 -2.944 23.457 -3.267 1.00 0.00 ATOM 336 CB VAL A 46 -3.110 22.739 -4.619 1.00 0.00 ATOM 337 CG1 VAL A 46 -1.948 21.800 -4.887 1.00 0.00 ATOM 338 CG2 VAL A 46 -4.375 21.893 -4.673 1.00 0.00 ATOM 339 O VAL A 46 -0.681 23.498 -2.474 1.00 0.00 ATOM 340 C VAL A 46 -1.530 24.053 -3.169 1.00 0.00 ATOM 341 N GLU A 47 -1.326 25.094 -3.975 1.00 0.00 ATOM 342 CA GLU A 47 -0.034 25.810 -4.039 1.00 0.00 ATOM 343 CB GLU A 47 -0.142 26.968 -5.044 1.00 0.00 ATOM 344 CG GLU A 47 1.186 27.720 -5.226 1.00 0.00 ATOM 345 CD GLU A 47 2.332 26.919 -5.839 1.00 0.00 ATOM 346 OE1 GLU A 47 2.060 25.913 -6.530 1.00 0.00 ATOM 347 OE2 GLU A 47 3.475 27.433 -5.735 1.00 0.00 ATOM 348 O GLU A 47 1.455 26.069 -2.178 1.00 0.00 ATOM 349 C GLU A 47 0.372 26.371 -2.673 1.00 0.00 ATOM 350 N HIS A 48 -0.561 27.077 -2.033 1.00 0.00 ATOM 351 CA HIS A 48 -0.310 27.680 -0.711 1.00 0.00 ATOM 352 CB HIS A 48 -1.546 28.386 -0.136 1.00 0.00 ATOM 353 CG HIS A 48 -1.290 29.228 1.131 1.00 0.00 ATOM 354 CD2 HIS A 48 -1.807 29.051 2.340 1.00 0.00 ATOM 355 ND1 HIS A 48 -0.405 30.205 1.248 1.00 0.00 ATOM 356 CE1 HIS A 48 -0.325 30.507 2.540 1.00 0.00 ATOM 357 NE2 HIS A 48 -1.196 29.808 3.234 1.00 0.00 ATOM 358 O HIS A 48 0.955 26.771 1.112 1.00 0.00 ATOM 359 C HIS A 48 0.058 26.589 0.304 1.00 0.00 ATOM 360 N ASP A 49 -0.656 25.456 0.211 1.00 0.00 ATOM 361 CA ASP A 49 -0.432 24.338 1.149 1.00 0.00 ATOM 362 CB ASP A 49 -1.468 23.244 0.918 1.00 0.00 ATOM 363 CG ASP A 49 -1.345 22.105 1.917 1.00 0.00 ATOM 364 OD1 ASP A 49 -1.590 22.353 3.118 1.00 0.00 ATOM 365 OD2 ASP A 49 -0.953 21.003 1.470 1.00 0.00 ATOM 366 O ASP A 49 1.587 23.334 2.013 1.00 0.00 ATOM 367 C ASP A 49 0.977 23.774 1.034 1.00 0.00 ATOM 368 N GLY A 50 1.427 23.742 -0.214 1.00 0.00 ATOM 369 CA GLY A 50 2.825 23.449 -0.545 1.00 0.00 ATOM 370 O GLY A 50 4.025 21.657 -1.606 1.00 0.00 ATOM 371 C GLY A 50 3.089 21.989 -0.893 1.00 0.00 ATOM 372 N ARG A 51 2.212 21.108 -0.427 1.00 0.00 ATOM 373 CA ARG A 51 2.466 19.656 -0.521 1.00 0.00 ATOM 374 CB ARG A 51 1.763 18.893 0.586 1.00 0.00 ATOM 375 CG ARG A 51 2.651 18.992 1.834 1.00 0.00 ATOM 376 CD ARG A 51 2.010 18.515 3.125 1.00 0.00 ATOM 377 NE ARG A 51 0.781 19.285 3.320 1.00 0.00 ATOM 378 CZ ARG A 51 -0.315 18.821 3.924 1.00 0.00 ATOM 379 NH1 ARG A 51 -0.331 17.610 4.467 1.00 0.00 ATOM 380 NH2 ARG A 51 -1.378 19.579 4.095 1.00 0.00 ATOM 381 O ARG A 51 3.131 18.295 -2.339 1.00 0.00 ATOM 382 C ARG A 51 2.237 19.004 -1.877 1.00 0.00 ATOM 383 N ILE A 52 1.081 19.241 -2.495 1.00 0.00 ATOM 384 CA ILE A 52 0.785 18.629 -3.818 1.00 0.00 ATOM 385 CB ILE A 52 -0.660 18.898 -4.263 1.00 0.00 ATOM 386 CG1 ILE A 52 -1.625 18.384 -3.198 1.00 0.00 ATOM 387 CG2 ILE A 52 -0.976 18.314 -5.651 1.00 0.00 ATOM 388 CD1 ILE A 52 -3.057 18.765 -3.478 1.00 0.00 ATOM 389 O ILE A 52 2.123 20.347 -4.849 1.00 0.00 ATOM 390 C ILE A 52 1.772 19.174 -4.863 1.00 0.00 ATOM 391 N GLN A 53 2.130 18.288 -5.782 1.00 0.00 ATOM 392 CA GLN A 53 3.077 18.562 -6.874 1.00 0.00 ATOM 393 CB GLN A 53 4.440 17.911 -6.580 1.00 0.00 ATOM 394 CG GLN A 53 5.186 18.415 -5.355 1.00 0.00 ATOM 395 CD GLN A 53 5.494 19.895 -5.440 1.00 0.00 ATOM 396 OE1 GLN A 53 6.138 20.375 -6.373 1.00 0.00 ATOM 397 NE2 GLN A 53 5.037 20.678 -4.472 1.00 0.00 ATOM 398 O GLN A 53 1.804 17.074 -8.299 1.00 0.00 ATOM 399 C GLN A 53 2.562 18.038 -8.212 1.00 0.00 ATOM 400 N ILE A 54 2.956 18.741 -9.279 1.00 0.00 ATOM 401 CA ILE A 54 2.658 18.275 -10.650 1.00 0.00 ATOM 402 CB ILE A 54 3.183 19.264 -11.719 1.00 0.00 ATOM 403 CG1 ILE A 54 2.440 20.611 -11.605 1.00 0.00 ATOM 404 CG2 ILE A 54 2.989 18.693 -13.136 1.00 0.00 ATOM 405 CD1 ILE A 54 3.030 21.722 -12.468 1.00 0.00 ATOM 406 O ILE A 54 4.479 16.749 -10.350 1.00 0.00 ATOM 407 C ILE A 54 3.348 16.917 -10.800 1.00 0.00 ATOM 408 N GLY A 55 2.651 15.966 -11.411 1.00 0.00 ATOM 409 CA GLY A 55 3.209 14.625 -11.600 1.00 0.00 ATOM 410 O GLY A 55 2.836 12.438 -10.737 1.00 0.00 ATOM 411 C GLY A 55 2.752 13.652 -10.526 1.00 0.00 ATOM 412 N ASP A 56 2.257 14.151 -9.382 1.00 0.00 ATOM 413 CA ASP A 56 1.751 13.296 -8.303 1.00 0.00 ATOM 414 CB ASP A 56 1.415 14.110 -7.061 1.00 0.00 ATOM 415 CG ASP A 56 2.643 14.701 -6.374 1.00 0.00 ATOM 416 OD1 ASP A 56 3.777 14.230 -6.595 1.00 0.00 ATOM 417 OD2 ASP A 56 2.394 15.593 -5.531 1.00 0.00 ATOM 418 O ASP A 56 -0.341 13.034 -9.479 1.00 0.00 ATOM 419 C ASP A 56 0.504 12.530 -8.742 1.00 0.00 ATOM 420 N GLN A 57 0.392 11.320 -8.219 1.00 0.00 ATOM 421 CA GLN A 57 -0.763 10.475 -8.539 1.00 0.00 ATOM 422 CB GLN A 57 -0.296 9.042 -8.763 1.00 0.00 ATOM 423 CG GLN A 57 -1.447 8.144 -9.204 1.00 0.00 ATOM 424 CD GLN A 57 -0.985 6.701 -9.371 1.00 0.00 ATOM 425 OE1 GLN A 57 0.134 6.300 -9.074 1.00 0.00 ATOM 426 NE2 GLN A 57 -1.856 5.901 -9.934 1.00 0.00 ATOM 427 O GLN A 57 -1.545 10.500 -6.286 1.00 0.00 ATOM 428 C GLN A 57 -1.844 10.607 -7.469 1.00 0.00 ATOM 429 N ILE A 58 -3.076 10.926 -7.876 1.00 0.00 ATOM 430 CA ILE A 58 -4.127 11.063 -6.890 1.00 0.00 ATOM 431 CB ILE A 58 -5.221 12.051 -7.336 1.00 0.00 ATOM 432 CG1 ILE A 58 -4.571 13.358 -7.853 1.00 0.00 ATOM 433 CG2 ILE A 58 -6.174 12.354 -6.181 1.00 0.00 ATOM 434 CD1 ILE A 58 -5.536 14.424 -8.307 1.00 0.00 ATOM 435 O ILE A 58 -5.096 8.961 -7.583 1.00 0.00 ATOM 436 C ILE A 58 -4.663 9.641 -6.645 1.00 0.00 ATOM 437 N ILE A 59 -4.586 9.191 -5.394 1.00 0.00 ATOM 438 CA ILE A 59 -5.037 7.847 -5.080 1.00 0.00 ATOM 439 CB ILE A 59 -3.996 7.235 -4.127 1.00 0.00 ATOM 440 CG1 ILE A 59 -2.622 7.102 -4.816 1.00 0.00 ATOM 441 CG2 ILE A 59 -4.413 5.888 -3.520 1.00 0.00 ATOM 442 CD1 ILE A 59 -2.631 6.303 -6.134 1.00 0.00 ATOM 443 O ILE A 59 -7.200 6.855 -4.829 1.00 0.00 ATOM 444 C ILE A 59 -6.468 7.790 -4.537 1.00 0.00 ATOM 445 N ALA A 60 -6.769 8.730 -3.645 1.00 0.00 ATOM 446 CA ALA A 60 -8.078 8.765 -2.965 1.00 0.00 ATOM 447 CB ALA A 60 -8.065 7.832 -1.749 1.00 0.00 ATOM 448 O ALA A 60 -7.582 10.937 -1.988 1.00 0.00 ATOM 449 C ALA A 60 -8.446 10.181 -2.523 1.00 0.00 ATOM 450 N VAL A 61 -9.690 10.521 -2.652 1.00 0.00 ATOM 451 CA VAL A 61 -10.221 11.808 -2.185 1.00 0.00 ATOM 452 CB VAL A 61 -10.682 12.633 -3.399 1.00 0.00 ATOM 453 CG1 VAL A 61 -11.216 14.007 -2.990 1.00 0.00 ATOM 454 CG2 VAL A 61 -9.570 12.817 -4.427 1.00 0.00 ATOM 455 O VAL A 61 -12.456 11.149 -1.658 1.00 0.00 ATOM 456 C VAL A 61 -11.392 11.588 -1.238 1.00 0.00 ATOM 457 N ASP A 62 -11.233 11.919 0.040 1.00 0.00 ATOM 458 CA ASP A 62 -12.285 11.743 1.032 1.00 0.00 ATOM 459 CB ASP A 62 -13.346 12.848 0.808 1.00 0.00 ATOM 460 CG ASP A 62 -12.798 14.280 0.944 1.00 0.00 ATOM 461 OD1 ASP A 62 -12.085 14.530 1.935 1.00 0.00 ATOM 462 OD2 ASP A 62 -13.004 15.076 0.002 1.00 0.00 ATOM 463 O ASP A 62 -14.133 10.156 0.945 1.00 0.00 ATOM 464 C ASP A 62 -12.920 10.328 1.027 1.00 0.00 ATOM 465 N GLY A 63 -12.066 9.320 0.862 1.00 0.00 ATOM 466 CA GLY A 63 -12.478 7.900 0.953 1.00 0.00 ATOM 467 O GLY A 63 -12.959 6.053 -0.512 1.00 0.00 ATOM 468 C GLY A 63 -12.807 7.270 -0.401 1.00 0.00 ATOM 469 N THR A 64 -12.926 8.118 -1.415 1.00 0.00 ATOM 470 CA THR A 64 -13.210 7.646 -2.772 1.00 0.00 ATOM 471 CB THR A 64 -14.131 8.681 -3.502 1.00 0.00 ATOM 472 CG2 THR A 64 -14.352 8.302 -4.961 1.00 0.00 ATOM 473 OG1 THR A 64 -15.396 8.777 -2.825 1.00 0.00 ATOM 474 O THR A 64 -11.001 8.169 -3.587 1.00 0.00 ATOM 475 C THR A 64 -11.888 7.317 -3.450 1.00 0.00 ATOM 476 N ASN A 65 -11.797 6.074 -3.860 1.00 0.00 ATOM 477 CA ASN A 65 -10.625 5.592 -4.602 1.00 0.00 ATOM 478 CB ASN A 65 -10.765 4.094 -4.660 1.00 0.00 ATOM 479 CG ASN A 65 -10.533 3.518 -3.271 1.00 0.00 ATOM 480 ND2 ASN A 65 -11.293 2.491 -3.029 1.00 0.00 ATOM 481 OD1 ASN A 65 -9.652 3.914 -2.505 1.00 0.00 ATOM 482 O ASN A 65 -11.629 6.460 -6.604 1.00 0.00 ATOM 483 C ASN A 65 -10.595 6.172 -6.001 1.00 0.00 ATOM 484 N LEU A 66 -9.376 6.447 -6.435 1.00 0.00 ATOM 485 CA LEU A 66 -9.119 6.854 -7.822 1.00 0.00 ATOM 486 CB LEU A 66 -8.514 8.253 -7.817 1.00 0.00 ATOM 487 CG LEU A 66 -9.353 9.323 -7.128 1.00 0.00 ATOM 488 CD1 LEU A 66 -8.654 10.651 -7.346 1.00 0.00 ATOM 489 CD2 LEU A 66 -10.782 9.456 -7.667 1.00 0.00 ATOM 490 O LEU A 66 -7.527 6.144 -9.493 1.00 0.00 ATOM 491 C LEU A 66 -8.179 5.852 -8.493 1.00 0.00 ATOM 492 N GLN A 67 -8.278 4.613 -8.016 1.00 0.00 ATOM 493 CA GLN A 67 -7.610 3.484 -8.670 1.00 0.00 ATOM 494 CB GLN A 67 -7.317 2.369 -7.711 1.00 0.00 ATOM 495 CG GLN A 67 -6.066 2.838 -6.991 1.00 0.00 ATOM 496 CD GLN A 67 -5.578 1.720 -6.091 1.00 0.00 ATOM 497 OE1 GLN A 67 -5.618 1.675 -4.877 1.00 0.00 ATOM 498 NE2 GLN A 67 -5.097 0.729 -6.766 1.00 0.00 ATOM 499 O GLN A 67 -9.491 2.245 -9.438 1.00 0.00 ATOM 500 C GLN A 67 -8.445 2.834 -9.733 1.00 0.00 ATOM 501 N GLY A 68 -7.901 2.902 -10.939 1.00 0.00 ATOM 502 CA GLY A 68 -8.563 2.297 -12.093 1.00 0.00 ATOM 503 O GLY A 68 -10.963 2.096 -12.176 1.00 0.00 ATOM 504 C GLY A 68 -9.991 2.847 -12.216 1.00 0.00 ATOM 505 N PHE A 69 -10.065 4.160 -12.262 1.00 0.00 ATOM 506 CA PHE A 69 -11.300 4.921 -12.529 1.00 0.00 ATOM 507 CB PHE A 69 -11.554 5.995 -11.445 1.00 0.00 ATOM 508 CG PHE A 69 -12.078 5.401 -10.157 1.00 0.00 ATOM 509 CD1 PHE A 69 -11.250 4.558 -9.371 1.00 0.00 ATOM 510 CD2 PHE A 69 -13.385 5.623 -9.750 1.00 0.00 ATOM 511 CE1 PHE A 69 -11.741 3.940 -8.178 1.00 0.00 ATOM 512 CE2 PHE A 69 -13.908 5.037 -8.599 1.00 0.00 ATOM 513 CZ PHE A 69 -13.075 4.189 -7.788 1.00 0.00 ATOM 514 O PHE A 69 -10.087 5.784 -14.420 1.00 0.00 ATOM 515 C PHE A 69 -11.176 5.662 -13.853 1.00 0.00 ATOM 516 N THR A 70 -12.325 5.931 -14.432 1.00 0.00 ATOM 517 CA THR A 70 -12.373 6.785 -15.631 1.00 0.00 ATOM 518 CB THR A 70 -13.708 6.683 -16.348 1.00 0.00 ATOM 519 CG2 THR A 70 -14.068 5.249 -16.725 1.00 0.00 ATOM 520 OG1 THR A 70 -14.729 7.322 -15.564 1.00 0.00 ATOM 521 O THR A 70 -12.201 8.630 -14.077 1.00 0.00 ATOM 522 C THR A 70 -12.126 8.256 -15.243 1.00 0.00 ATOM 523 N ASN A 71 -11.816 9.059 -16.268 1.00 0.00 ATOM 524 CA ASN A 71 -11.558 10.514 -16.166 1.00 0.00 ATOM 525 CB ASN A 71 -11.772 11.164 -17.696 1.00 0.00 ATOM 526 CG ASN A 71 -11.204 12.565 -17.901 1.00 0.00 ATOM 527 ND2 ASN A 71 -10.002 12.642 -18.467 1.00 0.00 ATOM 528 OD1 ASN A 71 -11.818 13.562 -17.521 1.00 0.00 ATOM 529 O ASN A 71 -12.747 12.079 -14.731 1.00 0.00 ATOM 530 C ASN A 71 -12.817 11.199 -15.625 1.00 0.00 ATOM 531 N GLN A 72 -13.915 10.690 -16.101 1.00 0.00 ATOM 532 CA GLN A 72 -15.223 11.199 -15.652 1.00 0.00 ATOM 533 CB GLN A 72 -16.050 10.203 -16.881 1.00 0.00 ATOM 534 CG GLN A 72 -15.438 10.131 -18.291 1.00 0.00 ATOM 535 CD GLN A 72 -16.121 9.114 -19.153 1.00 0.00 ATOM 536 OE1 GLN A 72 -15.616 7.989 -19.336 1.00 0.00 ATOM 537 NE2 GLN A 72 -17.314 9.468 -19.656 1.00 0.00 ATOM 538 O GLN A 72 -16.053 11.638 -13.425 1.00 0.00 ATOM 539 C GLN A 72 -15.526 10.826 -14.194 1.00 0.00 ATOM 540 N GLN A 73 -15.150 9.610 -13.786 1.00 0.00 ATOM 541 CA GLN A 73 -15.357 9.203 -12.396 1.00 0.00 ATOM 542 CB GLN A 73 -14.898 7.761 -12.155 1.00 0.00 ATOM 543 CG GLN A 73 -15.777 6.683 -12.793 1.00 0.00 ATOM 544 CD GLN A 73 -17.199 6.663 -12.223 1.00 0.00 ATOM 545 OE1 GLN A 73 -17.512 6.690 -11.044 1.00 0.00 ATOM 546 NE2 GLN A 73 -18.115 6.571 -13.131 1.00 0.00 ATOM 547 O GLN A 73 -14.976 10.526 -10.425 1.00 0.00 ATOM 548 C GLN A 73 -14.509 10.072 -11.473 1.00 0.00 ATOM 549 N ALA A 74 -13.247 10.340 -11.868 1.00 0.00 ATOM 550 CA ALA A 74 -12.337 11.163 -11.085 1.00 0.00 ATOM 551 CB ALA A 74 -10.937 11.111 -11.739 1.00 0.00 ATOM 552 O ALA A 74 -12.774 13.229 -9.914 1.00 0.00 ATOM 553 C ALA A 74 -12.839 12.602 -10.968 1.00 0.00 ATOM 554 N VAL A 75 -13.296 13.114 -12.099 1.00 0.00 ATOM 555 CA VAL A 75 -13.820 14.496 -12.187 1.00 0.00 ATOM 556 CB VAL A 75 -14.173 14.840 -13.636 1.00 0.00 ATOM 557 CG1 VAL A 75 -14.831 16.221 -13.711 1.00 0.00 ATOM 558 CG2 VAL A 75 -12.920 14.858 -14.519 1.00 0.00 ATOM 559 O VAL A 75 -15.182 15.672 -10.579 1.00 0.00 ATOM 560 C VAL A 75 -15.049 14.660 -11.277 1.00 0.00 ATOM 561 N GLU A 76 -15.945 13.671 -11.295 1.00 0.00 ATOM 562 CA GLU A 76 -17.141 13.709 -10.460 1.00 0.00 ATOM 563 CB GLU A 76 -18.137 12.646 -10.852 1.00 0.00 ATOM 564 CG GLU A 76 -18.800 12.968 -12.192 1.00 0.00 ATOM 565 CD GLU A 76 -19.411 14.366 -12.269 1.00 0.00 ATOM 566 OE1 GLU A 76 -20.332 14.674 -11.473 1.00 0.00 ATOM 567 OE2 GLU A 76 -19.003 15.141 -13.154 1.00 0.00 ATOM 568 O GLU A 76 -17.352 14.309 -8.129 1.00 0.00 ATOM 569 C GLU A 76 -16.720 13.664 -8.987 1.00 0.00 ATOM 570 N VAL A 77 -15.682 12.887 -8.667 1.00 0.00 ATOM 571 CA VAL A 77 -15.194 12.834 -7.271 1.00 0.00 ATOM 572 CB VAL A 77 -14.109 11.746 -7.127 1.00 0.00 ATOM 573 CG1 VAL A 77 -13.464 11.739 -5.736 1.00 0.00 ATOM 574 CG2 VAL A 77 -14.692 10.357 -7.351 1.00 0.00 ATOM 575 O VAL A 77 -14.963 14.671 -5.737 1.00 0.00 ATOM 576 C VAL A 77 -14.656 14.201 -6.827 1.00 0.00 ATOM 577 N LEU A 78 -13.908 14.823 -7.724 1.00 0.00 ATOM 578 CA LEU A 78 -13.353 16.160 -7.462 1.00 0.00 ATOM 579 CB LEU A 78 -12.357 16.542 -8.560 1.00 0.00 ATOM 580 CG LEU A 78 -11.691 17.897 -8.306 1.00 0.00 ATOM 581 CD1 LEU A 78 -10.937 17.890 -6.984 1.00 0.00 ATOM 582 CD2 LEU A 78 -10.711 18.182 -9.438 1.00 0.00 ATOM 583 O LEU A 78 -14.474 18.027 -6.449 1.00 0.00 ATOM 584 C LEU A 78 -14.454 17.226 -7.358 1.00 0.00 ATOM 585 N ARG A 79 -15.427 17.158 -8.258 1.00 0.00 ATOM 586 CA ARG A 79 -16.576 18.069 -8.236 1.00 0.00 ATOM 587 CB ARG A 79 -17.369 17.900 -9.577 1.00 0.00 ATOM 588 CG ARG A 79 -18.447 18.950 -9.754 1.00 0.00 ATOM 589 CD ARG A 79 -17.802 20.317 -9.873 1.00 0.00 ATOM 590 NE ARG A 79 -18.755 21.419 -9.788 1.00 0.00 ATOM 591 CZ ARG A 79 -19.294 21.864 -8.656 1.00 0.00 ATOM 592 NH1 ARG A 79 -18.982 21.299 -7.499 1.00 0.00 ATOM 593 NH2 ARG A 79 -20.130 22.894 -8.684 1.00 0.00 ATOM 594 O ARG A 79 -18.075 18.803 -6.517 1.00 0.00 ATOM 595 C ARG A 79 -17.490 17.853 -7.034 1.00 0.00 ATOM 596 N HIS A 80 -17.607 16.619 -6.523 1.00 0.00 ATOM 597 CA HIS A 80 -18.445 16.326 -5.364 1.00 0.00 ATOM 598 CB HIS A 80 -18.574 14.809 -5.214 1.00 0.00 ATOM 599 CG HIS A 80 -19.414 14.069 -6.255 1.00 0.00 ATOM 600 CD2 HIS A 80 -20.110 14.528 -7.310 1.00 0.00 ATOM 601 ND1 HIS A 80 -19.537 12.752 -6.263 1.00 0.00 ATOM 602 CE1 HIS A 80 -20.257 12.380 -7.309 1.00 0.00 ATOM 603 NE2 HIS A 80 -20.619 13.480 -7.957 1.00 0.00 ATOM 604 O HIS A 80 -18.705 16.854 -3.038 1.00 0.00 ATOM 605 C HIS A 80 -17.984 16.932 -4.028 1.00 0.00 ATOM 606 N THR A 81 -16.746 17.425 -4.006 1.00 0.00 ATOM 607 CA THR A 81 -16.101 17.894 -2.768 1.00 0.00 ATOM 608 CB THR A 81 -14.586 18.051 -2.959 1.00 0.00 ATOM 609 CG2 THR A 81 -13.911 16.745 -3.385 1.00 0.00 ATOM 610 OG1 THR A 81 -14.354 19.033 -3.963 1.00 0.00 ATOM 611 O THR A 81 -17.334 19.951 -2.985 1.00 0.00 ATOM 612 C THR A 81 -16.776 19.156 -2.216 1.00 0.00 ATOM 613 N GLY A 82 -16.578 19.340 -0.914 1.00 0.00 ATOM 614 CA GLY A 82 -16.923 20.580 -0.189 1.00 0.00 ATOM 615 O GLY A 82 -14.694 21.369 -0.755 1.00 0.00 ATOM 616 C GLY A 82 -15.628 21.371 0.046 1.00 0.00 ATOM 617 N GLN A 83 -15.597 22.041 1.193 1.00 0.00 ATOM 618 CA GLN A 83 -14.499 22.959 1.543 1.00 0.00 ATOM 619 CB GLN A 83 -14.873 23.890 2.691 1.00 0.00 ATOM 620 CG GLN A 83 -15.931 24.913 2.288 1.00 0.00 ATOM 621 CD GLN A 83 -16.324 25.770 3.489 1.00 0.00 ATOM 622 OE1 GLN A 83 -15.959 25.584 4.640 1.00 0.00 ATOM 623 NE2 GLN A 83 -17.149 26.755 3.230 1.00 0.00 ATOM 624 O GLN A 83 -12.131 22.659 1.510 1.00 0.00 ATOM 625 C GLN A 83 -13.205 22.241 1.941 1.00 0.00 ATOM 626 N THR A 84 -13.324 21.222 2.786 1.00 0.00 ATOM 627 CA THR A 84 -12.152 20.498 3.318 1.00 0.00 ATOM 628 CB THR A 84 -12.363 20.217 4.809 1.00 0.00 ATOM 629 CG2 THR A 84 -11.224 19.470 5.393 1.00 0.00 ATOM 630 OG1 THR A 84 -12.351 21.467 5.524 1.00 0.00 ATOM 631 O THR A 84 -12.940 18.374 2.519 1.00 0.00 ATOM 632 C THR A 84 -12.004 19.179 2.549 1.00 0.00 ATOM 633 N VAL A 85 -10.841 19.022 1.943 1.00 0.00 ATOM 634 CA VAL A 85 -10.552 17.839 1.108 1.00 0.00 ATOM 635 CB VAL A 85 -10.445 18.243 -0.383 1.00 0.00 ATOM 636 CG1 VAL A 85 -10.179 17.031 -1.286 1.00 0.00 ATOM 637 CG2 VAL A 85 -11.733 18.906 -0.882 1.00 0.00 ATOM 638 O VAL A 85 -8.220 17.660 1.700 1.00 0.00 ATOM 639 C VAL A 85 -9.304 17.074 1.571 1.00 0.00 ATOM 640 N LEU A 86 -9.462 15.766 1.847 1.00 0.00 ATOM 641 CA LEU A 86 -8.325 14.916 2.128 1.00 0.00 ATOM 642 CB LEU A 86 -8.737 13.951 3.257 1.00 0.00 ATOM 643 CG LEU A 86 -7.612 13.012 3.745 1.00 0.00 ATOM 644 CD1 LEU A 86 -6.349 13.652 4.328 1.00 0.00 ATOM 645 CD2 LEU A 86 -8.204 12.045 4.762 1.00 0.00 ATOM 646 O LEU A 86 -8.629 13.306 0.358 1.00 0.00 ATOM 647 C LEU A 86 -7.891 14.130 0.896 1.00 0.00 ATOM 648 N LEU A 87 -6.661 14.420 0.495 1.00 0.00 ATOM 649 CA LEU A 87 -6.052 13.749 -0.671 1.00 0.00 ATOM 650 CB LEU A 87 -5.444 14.785 -1.627 1.00 0.00 ATOM 651 CG LEU A 87 -6.445 15.817 -2.152 1.00 0.00 ATOM 652 CD1 LEU A 87 -5.739 16.815 -3.052 1.00 0.00 ATOM 653 CD2 LEU A 87 -7.520 15.155 -2.992 1.00 0.00 ATOM 654 O LEU A 87 -4.120 13.105 0.605 1.00 0.00 ATOM 655 C LEU A 87 -4.989 12.762 -0.212 1.00 0.00 ATOM 656 N THR A 88 -5.073 11.548 -0.720 1.00 0.00 ATOM 657 CA THR A 88 -3.978 10.568 -0.657 1.00 0.00 ATOM 658 CB THR A 88 -4.488 9.128 -0.469 1.00 0.00 ATOM 659 CG2 THR A 88 -3.346 8.123 -0.339 1.00 0.00 ATOM 660 OG1 THR A 88 -5.271 9.084 0.720 1.00 0.00 ATOM 661 O THR A 88 -3.833 10.530 -3.040 1.00 0.00 ATOM 662 C THR A 88 -3.209 10.642 -1.982 1.00 0.00 ATOM 663 N LEU A 89 -1.941 10.968 -1.853 1.00 0.00 ATOM 664 CA LEU A 89 -1.082 11.266 -3.011 1.00 0.00 ATOM 665 CB LEU A 89 -0.598 12.711 -2.929 1.00 0.00 ATOM 666 CG LEU A 89 -1.711 13.760 -2.938 1.00 0.00 ATOM 667 CD1 LEU A 89 -1.052 15.104 -2.683 1.00 0.00 ATOM 668 CD2 LEU A 89 -2.434 13.847 -4.285 1.00 0.00 ATOM 669 O LEU A 89 0.753 10.044 -2.054 1.00 0.00 ATOM 670 C LEU A 89 0.114 10.340 -3.069 1.00 0.00 ATOM 671 N MET A 90 0.422 9.904 -4.280 1.00 0.00 ATOM 672 CA MET A 90 1.618 9.104 -4.553 1.00 0.00 ATOM 673 CB MET A 90 1.192 7.925 -5.420 1.00 0.00 ATOM 674 CG MET A 90 2.368 7.035 -5.771 1.00 0.00 ATOM 675 SD MET A 90 1.986 5.430 -6.575 1.00 0.00 ATOM 676 CE MET A 90 1.113 4.656 -5.239 1.00 0.00 ATOM 677 O MET A 90 2.401 10.544 -6.320 1.00 0.00 ATOM 678 C MET A 90 2.643 10.033 -5.223 1.00 0.00 ATOM 679 N ARG A 91 3.742 10.258 -4.516 1.00 0.00 ATOM 680 CA ARG A 91 4.829 11.106 -5.019 1.00 0.00 ATOM 681 CB ARG A 91 5.420 11.931 -3.871 1.00 0.00 ATOM 682 CG ARG A 91 6.489 12.909 -4.360 1.00 0.00 ATOM 683 CD ARG A 91 7.029 13.692 -3.183 1.00 0.00 ATOM 684 NE ARG A 91 8.097 14.603 -3.627 1.00 0.00 ATOM 685 CZ ARG A 91 8.951 15.210 -2.803 1.00 0.00 ATOM 686 NH1 ARG A 91 9.871 16.039 -3.253 1.00 0.00 ATOM 687 NH2 ARG A 91 8.921 14.991 -1.503 1.00 0.00 ATOM 688 O ARG A 91 6.403 9.340 -4.986 1.00 0.00 ATOM 689 C ARG A 91 5.943 10.279 -5.634 1.00 0.00 ATOM 690 N ARG A 92 6.348 10.554 -6.860 1.00 0.00 ATOM 691 CA ARG A 92 7.414 9.753 -7.420 1.00 0.00 ATOM 692 CB ARG A 92 7.462 9.952 -8.926 1.00 0.00 ATOM 693 CG ARG A 92 8.627 9.263 -9.618 1.00 0.00 ATOM 694 CD ARG A 92 8.525 9.414 -11.131 1.00 0.00 ATOM 695 NE ARG A 92 9.651 8.755 -11.811 1.00 0.00 ATOM 696 CZ ARG A 92 9.615 7.613 -12.492 1.00 0.00 ATOM 697 NH1 ARG A 92 8.493 6.919 -12.573 1.00 0.00 ATOM 698 NH2 ARG A 92 10.708 7.163 -13.108 1.00 0.00 ATOM 699 O ARG A 92 9.194 11.229 -6.769 1.00 0.00 ATOM 700 C ARG A 92 8.730 10.079 -6.721 1.00 0.00 ATOM 701 N GLY A 93 9.389 9.066 -6.203 1.00 0.00 ATOM 702 CA GLY A 93 10.642 9.291 -5.506 1.00 0.00 ATOM 703 O GLY A 93 11.706 7.521 -6.701 1.00 0.00 ATOM 704 C GLY A 93 11.835 8.552 -6.053 1.00 0.00 ATOM 705 N GLU A 94 13.041 9.158 -5.727 1.00 0.00 ATOM 706 CA GLU A 94 14.260 8.553 -6.281 1.00 0.00 ATOM 707 CB GLU A 94 15.254 9.604 -6.738 1.00 0.00 ATOM 708 CG GLU A 94 14.704 10.457 -7.881 1.00 0.00 ATOM 709 CD GLU A 94 15.773 10.961 -8.858 1.00 0.00 ATOM 710 OE1 GLU A 94 16.969 10.660 -8.650 1.00 0.00 ATOM 711 OE2 GLU A 94 15.371 11.622 -9.839 1.00 0.00 ATOM 712 O GLU A 94 15.778 6.818 -5.926 1.00 0.00 ATOM 713 C GLU A 94 15.029 7.614 -5.395 1.00 0.00 ATOM 714 N THR A 95 14.862 7.885 -4.016 1.00 0.00 ATOM 715 CA THR A 95 15.683 7.130 -3.109 1.00 0.00 ATOM 716 CB THR A 95 15.294 7.557 -1.685 1.00 0.00 ATOM 717 CG2 THR A 95 16.103 6.827 -0.608 1.00 0.00 ATOM 718 OG1 THR A 95 15.443 8.977 -1.610 1.00 0.00 ATOM 719 O THR A 95 16.558 4.874 -3.247 1.00 0.00 ATOM 720 C THR A 95 15.565 5.606 -3.259 1.00 0.00 ATOM 721 N SER A 96 14.345 5.105 -3.234 1.00 0.00 ATOM 722 CA SER A 96 14.122 3.650 -3.275 1.00 0.00 ATOM 723 CB SER A 96 13.334 3.271 -2.030 1.00 0.00 ATOM 724 OG SER A 96 13.168 1.859 -1.934 1.00 0.00 ATOM 725 O SER A 96 12.868 4.108 -5.244 1.00 0.00 ATOM 726 C SER A 96 13.399 3.238 -4.554 1.00 0.00 ATOM 727 N VAL A 97 13.645 2.002 -4.985 1.00 0.00 ATOM 728 CA VAL A 97 13.059 1.443 -6.236 1.00 0.00 ATOM 729 CB VAL A 97 14.162 0.910 -7.186 1.00 0.00 ATOM 730 CG1 VAL A 97 13.649 0.481 -8.564 1.00 0.00 ATOM 731 CG2 VAL A 97 15.281 1.907 -7.426 1.00 0.00 ATOM 732 O VAL A 97 11.860 0.091 -4.653 1.00 0.00 ATOM 733 C VAL A 97 12.052 0.326 -5.869 1.00 0.00 ENDMDL EXPDTA 2iwnA MODEL 2 REMARK 44 REMARK 44 model 2 is called 2iwnA ATOM 1 N SER 1 11.924 -0.433 -7.184 1.00 0.00 ATOM 2 CA SER 1 10.768 0.504 -7.132 1.00 0.00 ATOM 3 CB SER 1 9.451 -0.258 -7.172 1.00 0.00 ATOM 4 OG SER 1 9.380 -1.083 -8.321 1.00 0.00 ATOM 5 O SER 1 11.321 0.893 -4.844 1.00 0.00 ATOM 6 C SER 1 10.834 1.344 -5.876 1.00 0.00 ATOM 7 N MET 2 10.337 2.571 -5.978 1.00 0.00 ATOM 8 CA MET 2 10.273 3.486 -4.854 1.00 0.00 ATOM 9 CB MET 2 11.615 4.200 -4.639 1.00 0.00 ATOM 10 CG MET 2 11.606 5.182 -3.478 1.00 0.00 ATOM 11 SD MET 2 11.066 6.843 -3.926 1.00 0.00 ATOM 12 CE MET 2 12.596 7.531 -4.545 1.00 0.00 ATOM 13 O MET 2 8.993 5.019 -6.200 1.00 0.00 ATOM 14 C MET 2 9.165 4.501 -5.088 1.00 0.00 ATOM 15 N SER 3 8.422 4.787 -4.028 1.00 0.00 ATOM 16 CA SER 3 7.408 5.817 -4.069 1.00 0.00 ATOM 17 CB SER 3 6.086 5.239 -4.566 1.00 0.00 ATOM 18 OG SER 3 5.597 4.248 -3.684 1.00 0.00 ATOM 19 O SER 3 7.627 5.863 -1.691 1.00 0.00 ATOM 20 C SER 3 7.209 6.425 -2.700 1.00 0.00 ATOM 21 N GLU 4 6.588 7.599 -2.700 1.00 0.00 ATOM 22 CA GLU 4 6.141 8.236 -1.475 1.00 0.00 ATOM 23 CB GLU 4 6.811 9.596 -1.283 1.00 0.00 ATOM 24 CG GLU 4 8.300 9.494 -0.999 1.00 0.00 ATOM 25 CD GLU 4 8.931 10.812 -0.597 1.00 0.00 ATOM 26 OE1 GLU 4 8.357 11.878 -0.903 1.00 0.00 ATOM 27 OE2 GLU 4 10.011 10.775 0.027 1.00 0.00 ATOM 28 O GLU 4 4.096 8.765 -2.584 1.00 0.00 ATOM 29 C GLU 4 4.635 8.388 -1.552 1.00 0.00 ATOM 30 N THR 5 3.961 8.053 -0.454 1.00 0.00 ATOM 31 CA THR 5 2.521 8.240 -0.330 1.00 0.00 ATOM 32 CB THR 5 1.805 6.905 -0.066 1.00 0.00 ATOM 33 CG2 THR 5 0.311 7.113 0.189 1.00 0.00 ATOM 34 OG1 THR 5 1.984 6.044 -1.202 1.00 0.00 ATOM 35 O THR 5 2.911 9.100 1.889 1.00 0.00 ATOM 36 C THR 5 2.296 9.220 0.820 1.00 0.00 ATOM 37 N PHE 6 1.432 10.204 0.600 1.00 0.00 ATOM 38 CA PHE 6 1.173 11.223 1.610 1.00 0.00 ATOM 39 CB PHE 6 2.194 12.369 1.535 1.00 0.00 ATOM 40 CG PHE 6 2.154 13.158 0.250 1.00 0.00 ATOM 41 CD1 PHE 6 1.491 14.375 0.185 1.00 0.00 ATOM 42 CD2 PHE 6 2.798 12.694 -0.891 1.00 0.00 ATOM 43 CE1 PHE 6 1.459 15.102 -0.995 1.00 0.00 ATOM 44 CE2 PHE 6 2.768 13.426 -2.071 1.00 0.00 ATOM 45 CZ PHE 6 2.098 14.631 -2.118 1.00 0.00 ATOM 46 O PHE 6 -0.819 11.672 0.379 1.00 0.00 ATOM 47 C PHE 6 -0.227 11.760 1.456 1.00 0.00 ATOM 48 N ASP 7 -0.769 12.322 2.529 1.00 0.00 ATOM 49 CA ASP 7 -2.066 12.960 2.414 1.00 0.00 ATOM 50 CB ASP 7 -3.163 12.194 3.158 1.00 0.00 ATOM 51 CG ASP 7 -2.843 11.956 4.602 1.00 0.00 ATOM 52 OD1 ASP 7 -2.083 12.745 5.187 1.00 0.00 ATOM 53 OD2 ASP 7 -3.367 10.968 5.153 1.00 0.00 ATOM 54 O ASP 7 -1.102 14.915 3.417 1.00 0.00 ATOM 55 C ASP 7 -2.031 14.437 2.775 1.00 0.00 ATOM 56 N VAL 8 -3.048 15.147 2.303 1.00 0.00 ATOM 57 CA VAL 8 -3.124 16.600 2.408 1.00 0.00 ATOM 58 CB VAL 8 -2.638 17.286 1.107 1.00 0.00 ATOM 59 CG1 VAL 8 -2.674 18.800 1.242 1.00 0.00 ATOM 60 CG2 VAL 8 -1.237 16.828 0.736 1.00 0.00 ATOM 61 O VAL 8 -5.430 16.683 1.802 1.00 0.00 ATOM 62 C VAL 8 -4.579 16.980 2.639 1.00 0.00 ATOM 63 N GLU 9 -4.868 17.612 3.774 1.00 0.00 ATOM 64 CA GLU 9 -6.201 18.157 4.034 1.00 0.00 ATOM 65 CB GLU 9 -6.504 18.154 5.534 1.00 0.00 ATOM 66 CG GLU 9 -7.943 18.503 5.875 1.00 0.00 ATOM 67 CD GLU 9 -8.908 17.396 5.515 1.00 0.00 ATOM 68 OE1 GLU 9 -8.759 16.276 6.050 1.00 0.00 ATOM 69 OE2 GLU 9 -9.822 17.644 4.700 1.00 0.00 ATOM 70 O GLU 9 -5.420 20.419 3.883 1.00 0.00 ATOM 71 C GLU 9 -6.246 19.588 3.504 1.00 0.00 ATOM 72 N LEU 10 -7.200 19.856 2.620 1.00 0.00 ATOM 73 CA LEU 10 -7.292 21.129 1.924 1.00 0.00 ATOM 74 CB LEU 10 -6.981 20.937 0.435 1.00 0.00 ATOM 75 CG LEU 10 -5.558 20.495 0.078 1.00 0.00 ATOM 76 CD1 LEU 10 -5.519 19.844 -1.294 1.00 0.00 ATOM 77 CD2 LEU 10 -4.605 21.676 0.144 1.00 0.00 ATOM 78 O LEU 10 -9.667 20.947 2.046 1.00 0.00 ATOM 79 C LEU 10 -8.692 21.691 2.047 1.00 0.00 ATOM 80 N THR 11 -8.775 23.012 2.135 1.00 0.00 ATOM 81 CA THR 11 -10.050 23.706 2.108 1.00 0.00 ATOM 82 CB THR 11 -10.297 24.498 3.399 1.00 0.00 ATOM 83 CG2 THR 11 -11.615 25.243 3.324 1.00 0.00 ATOM 84 OG1 THR 11 -10.316 23.598 4.515 1.00 0.00 ATOM 85 O THR 11 -9.146 25.458 0.735 1.00 0.00 ATOM 86 C THR 11 -10.046 24.625 0.898 1.00 0.00 ATOM 87 N LYS 12 -11.041 24.452 0.037 1.00 0.00 ATOM 88 CA LYS 12 -11.154 25.260 -1.165 1.00 0.00 ATOM 89 CB LYS 12 -12.294 24.757 -2.048 1.00 0.00 ATOM 90 CG LYS 12 -12.128 23.347 -2.562 1.00 0.00 ATOM 91 CD LYS 12 -13.359 22.914 -3.353 1.00 0.00 ATOM 92 CE LYS 12 -13.279 21.459 -3.766 1.00 0.00 ATOM 93 NZ LYS 12 -14.528 20.997 -4.433 1.00 0.00 ATOM 94 O LYS 12 -12.014 27.061 0.187 1.00 0.00 ATOM 95 C LYS 12 -11.422 26.726 -0.847 1.00 0.00 ATOM 96 N ASN 13 -11.000 27.592 -1.764 1.00 0.00 ATOM 97 CA ASN 13 -11.445 28.982 -1.785 1.00 0.00 ATOM 98 CB ASN 13 -10.275 29.933 -1.493 1.00 0.00 ATOM 99 CG ASN 13 -9.244 29.980 -2.606 1.00 0.00 ATOM 100 ND2 ASN 13 -8.190 30.754 -2.394 1.00 0.00 ATOM 101 OD1 ASN 13 -9.392 29.341 -3.640 1.00 0.00 ATOM 102 O ASN 13 -12.636 28.302 -3.740 1.00 0.00 ATOM 103 C ASN 13 -12.163 29.248 -3.113 1.00 0.00 ATOM 104 N VAL 14 -12.279 30.511 -3.530 1.00 0.00 ATOM 105 CA VAL 14 -12.944 30.844 -4.805 1.00 0.00 ATOM 106 CB VAL 14 -12.868 32.353 -5.132 1.00 0.00 ATOM 107 CG1 VAL 14 -13.717 33.136 -4.178 1.00 0.00 ATOM 108 CG2 VAL 14 -11.421 32.854 -5.130 1.00 0.00 ATOM 109 O VAL 14 -13.125 29.826 -6.970 1.00 0.00 ATOM 110 C VAL 14 -12.396 30.096 -6.011 1.00 0.00 ATOM 111 N GLN 15 -11.111 29.770 -5.969 1.00 0.00 ATOM 112 CA GLN 15 -10.474 29.068 -7.071 1.00 0.00 ATOM 113 CB GLN 15 -9.017 29.508 -7.179 1.00 0.00 ATOM 114 CG GLN 15 -8.827 31.005 -7.351 1.00 0.00 ATOM 115 O GLN 15 -9.892 26.827 -7.677 1.00 0.00 ATOM 116 C GLN 15 -10.547 27.548 -6.927 1.00 0.00 ATOM 117 N GLY 16 -11.334 27.059 -5.969 1.00 0.00 ATOM 118 CA GLY 16 -11.395 25.631 -5.688 1.00 0.00 ATOM 119 O GLY 16 -9.635 25.903 -4.100 1.00 0.00 ATOM 120 C GLY 16 -10.146 25.181 -4.958 1.00 0.00 ATOM 121 N LEU 17 -9.656 23.988 -5.292 1.00 0.00 ATOM 122 CA LEU 17 -8.381 23.515 -4.760 1.00 0.00 ATOM 123 CB LEU 17 -8.258 22.000 -4.895 1.00 0.00 ATOM 124 CG LEU 17 -9.266 21.168 -4.105 1.00 0.00 ATOM 125 CD1 LEU 17 -9.135 19.701 -4.479 1.00 0.00 ATOM 126 CD2 LEU 17 -9.070 21.356 -2.607 1.00 0.00 ATOM 127 O LEU 17 -6.195 24.503 -4.901 1.00 0.00 ATOM 128 C LEU 17 -7.223 24.177 -5.498 1.00 0.00 ATOM 129 N GLY 18 -7.392 24.344 -6.807 1.00 0.00 ATOM 130 CA GLY 18 -6.373 24.942 -7.661 1.00 0.00 ATOM 131 O GLY 18 -4.293 24.242 -8.599 1.00 0.00 ATOM 132 C GLY 18 -5.459 23.944 -8.344 1.00 0.00 ATOM 133 N ILE 19 -5.991 22.770 -8.667 1.00 0.00 ATOM 134 CA ILE 19 -5.245 21.782 -9.428 1.00 0.00 ATOM 135 CB ILE 19 -4.849 20.524 -8.604 1.00 0.00 ATOM 136 CG1 ILE 19 -6.036 19.955 -7.822 1.00 0.00 ATOM 137 CG2 ILE 19 -3.692 20.849 -7.676 1.00 0.00 ATOM 138 CD1 ILE 19 -5.727 18.619 -7.143 1.00 0.00 ATOM 139 O ILE 19 -7.248 21.209 -10.614 1.00 0.00 ATOM 140 C ILE 19 -6.022 21.336 -10.648 1.00 0.00 ATOM 141 N THR 20 -5.280 21.104 -11.725 1.00 0.00 ATOM 142 CA THR 20 -5.792 20.442 -12.900 1.00 0.00 ATOM 143 CB THR 20 -5.365 21.172 -14.166 1.00 0.00 ATOM 144 CG2 THR 20 -5.832 20.434 -15.407 1.00 0.00 ATOM 145 OG1 THR 20 -5.929 22.485 -14.134 1.00 0.00 ATOM 146 O THR 20 -4.054 18.822 -12.657 1.00 0.00 ATOM 147 C THR 20 -5.244 19.026 -12.866 1.00 0.00 ATOM 148 N ILE 21 -6.140 18.061 -13.039 1.00 0.00 ATOM 149 CA ILE 21 -5.827 16.649 -12.908 1.00 0.00 ATOM 150 CB ILE 21 -6.504 16.025 -11.672 1.00 0.00 ATOM 151 CG1 ILE 21 -8.031 16.171 -11.742 1.00 0.00 ATOM 152 CG2 ILE 21 -5.963 16.676 -10.406 1.00 0.00 ATOM 153 CD1 ILE 21 -8.758 15.481 -10.619 1.00 0.00 ATOM 154 O ILE 21 -7.279 16.297 -14.769 1.00 0.00 ATOM 155 C ILE 21 -6.268 15.930 -14.181 1.00 0.00 ATOM 156 N ALA 22 -5.512 14.927 -14.616 1.00 0.00 ATOM 157 CA ALA 22 -5.833 14.221 -15.854 1.00 0.00 ATOM 158 CB ALA 22 -5.241 14.945 -17.066 1.00 0.00 ATOM 159 O ALA 22 -4.363 12.452 -15.178 1.00 0.00 ATOM 160 C ALA 22 -5.354 12.788 -15.837 1.00 0.00 ATOM 161 N GLY 23 -6.068 11.958 -16.590 1.00 0.00 ATOM 162 CA GLY 23 -5.658 10.591 -16.867 1.00 0.00 ATOM 163 O GLY 23 -6.904 10.897 -18.880 1.00 0.00 ATOM 164 C GLY 23 -6.050 10.234 -18.286 1.00 0.00 ATOM 165 N TYR 24 -5.429 9.190 -18.829 1.00 0.00 ATOM 166 CA TYR 24 -5.776 8.715 -20.159 1.00 0.00 ATOM 167 CB TYR 24 -4.863 7.561 -20.594 1.00 0.00 ATOM 168 CG TYR 24 -5.400 6.827 -21.809 1.00 0.00 ATOM 169 CD1 TYR 24 -5.119 7.272 -23.099 1.00 0.00 ATOM 170 CD2 TYR 24 -6.226 5.712 -21.665 1.00 0.00 ATOM 171 CE1 TYR 24 -5.630 6.611 -24.218 1.00 0.00 ATOM 172 CE2 TYR 24 -6.744 5.048 -22.776 1.00 0.00 ATOM 173 CZ TYR 24 -6.440 5.501 -24.045 1.00 0.00 ATOM 174 OH TYR 24 -6.953 4.843 -25.141 1.00 0.00 ATOM 175 O TYR 24 -7.661 7.534 -19.282 1.00 0.00 ATOM 176 C TYR 24 -7.223 8.236 -20.184 1.00 0.00 ATOM 177 N ILE 25 -7.968 8.624 -21.213 1.00 0.00 ATOM 178 CA ILE 25 -9.292 8.047 -21.447 1.00 0.00 ATOM 179 CB ILE 25 -10.464 9.013 -21.116 1.00 0.00 ATOM 180 CG1 ILE 25 -10.345 10.323 -21.888 1.00 0.00 ATOM 181 CG2 ILE 25 -10.540 9.299 -19.620 1.00 0.00 ATOM 182 CD1 ILE 25 -11.634 11.100 -21.907 1.00 0.00 ATOM 183 O ILE 25 -8.728 8.147 -23.781 1.00 0.00 ATOM 184 C ILE 25 -9.385 7.588 -22.894 1.00 0.00 ATOM 185 N GLY 26 -10.203 6.568 -23.122 1.00 0.00 ATOM 186 CA GLY 26 -10.372 5.998 -24.454 1.00 0.00 ATOM 187 O GLY 26 -10.897 3.963 -23.304 1.00 0.00 ATOM 188 C GLY 26 -10.677 4.517 -24.388 1.00 0.00 ATOM 189 N ASP 27 -10.673 3.875 -25.554 1.00 0.00 ATOM 190 CA ASP 27 -11.022 2.464 -25.669 1.00 0.00 ATOM 191 CB ASP 27 -11.528 2.158 -27.081 1.00 0.00 ATOM 192 O ASP 27 -9.987 0.384 -25.067 1.00 0.00 ATOM 193 C ASP 27 -9.827 1.576 -25.338 1.00 0.00 ATOM 194 N PRO 32 0.068 0.528 -16.731 1.00 0.00 ATOM 195 CA PRO 32 -0.579 1.239 -15.631 1.00 0.00 ATOM 196 CB PRO 32 0.598 1.866 -14.884 1.00 0.00 ATOM 197 CG PRO 32 1.628 2.067 -15.912 1.00 0.00 ATOM 198 CD PRO 32 1.476 0.927 -16.891 1.00 0.00 ATOM 199 O PRO 32 -1.539 2.664 -17.297 1.00 0.00 ATOM 200 C PRO 32 -1.537 2.320 -16.115 1.00 0.00 ATOM 201 N SER 33 -2.329 2.852 -15.190 1.00 0.00 ATOM 202 CA SER 33 -3.354 3.850 -15.493 1.00 0.00 ATOM 203 CB SER 33 -4.734 3.195 -15.427 1.00 0.00 ATOM 204 OG SER 33 -5.718 4.033 -15.988 1.00 0.00 ATOM 205 O SER 33 -2.104 5.371 -14.133 1.00 0.00 ATOM 206 C SER 33 -3.230 5.018 -14.489 1.00 0.00 ATOM 207 N GLY 34 -4.340 5.632 -14.057 1.00 0.00 ATOM 208 CA GLY 34 -4.322 6.619 -12.967 1.00 0.00 ATOM 209 O GLY 34 -4.481 8.408 -14.562 1.00 0.00 ATOM 210 C GLY 34 -4.588 8.058 -13.382 1.00 0.00 ATOM 211 N ILE 35 -4.920 8.896 -12.394 1.00 0.00 ATOM 212 CA ILE 35 -5.082 10.329 -12.604 1.00 0.00 ATOM 213 CB ILE 35 -6.508 10.835 -12.242 1.00 0.00 ATOM 214 CG1 ILE 35 -6.885 10.501 -10.797 1.00 0.00 ATOM 215 CG2 ILE 35 -7.541 10.270 -13.223 1.00 0.00 ATOM 216 CD1 ILE 35 -8.040 11.340 -10.260 1.00 0.00 ATOM 217 O ILE 35 -3.645 10.733 -10.721 1.00 0.00 ATOM 218 C ILE 35 -3.990 11.086 -11.843 1.00 0.00 ATOM 219 N PHE 36 -3.450 12.119 -12.489 1.00 0.00 ATOM 220 CA PHE 36 -2.229 12.787 -12.052 1.00 0.00 ATOM 221 CB PHE 36 -1.059 12.398 -12.968 1.00 0.00 ATOM 222 CG PHE 36 -0.735 10.934 -12.954 1.00 0.00 ATOM 223 CD1 PHE 36 -1.441 10.049 -13.753 1.00 0.00 ATOM 224 CD2 PHE 36 0.252 10.435 -12.119 1.00 0.00 ATOM 225 CE1 PHE 36 -1.163 8.702 -13.717 1.00 0.00 ATOM 226 CE2 PHE 36 0.535 9.091 -12.091 1.00 0.00 ATOM 227 CZ PHE 36 -0.168 8.225 -12.884 1.00 0.00 ATOM 228 O PHE 36 -3.147 14.847 -12.891 1.00 0.00 ATOM 229 C PHE 36 -2.391 14.302 -12.079 1.00 0.00 ATOM 230 N VAL 37 -1.673 14.974 -11.186 1.00 0.00 ATOM 231 CA VAL 37 -1.634 16.430 -11.178 1.00 0.00 ATOM 232 CB VAL 37 -0.969 16.967 -9.896 1.00 0.00 ATOM 233 CG1 VAL 37 -0.875 18.498 -9.927 1.00 0.00 ATOM 234 CG2 VAL 37 -1.738 16.487 -8.672 1.00 0.00 ATOM 235 O VAL 37 0.261 16.563 -12.646 1.00 0.00 ATOM 236 C VAL 37 -0.889 16.939 -12.411 1.00 0.00 ATOM 237 N LYS 38 -1.558 17.799 -13.177 1.00 0.00 ATOM 238 CA LYS 38 -1.016 18.359 -14.419 1.00 0.00 ATOM 239 CB LYS 38 -2.099 18.387 -15.503 1.00 0.00 ATOM 240 CG LYS 38 -2.763 17.059 -15.773 1.00 0.00 ATOM 241 CD LYS 38 -1.834 16.069 -16.441 1.00 0.00 ATOM 242 CE LYS 38 -1.654 16.388 -17.917 1.00 0.00 ATOM 243 NZ LYS 38 -0.776 15.396 -18.594 1.00 0.00 ATOM 244 O LYS 38 0.482 20.183 -14.865 1.00 0.00 ATOM 245 C LYS 38 -0.493 19.779 -14.230 1.00 0.00 ATOM 246 N SER 39 -1.164 20.542 -13.376 1.00 0.00 ATOM 247 CA SER 39 -0.778 21.920 -13.109 1.00 0.00 ATOM 248 CB SER 39 -1.203 22.854 -14.248 1.00 0.00 ATOM 249 OG SER 39 -2.611 22.932 -14.348 1.00 0.00 ATOM 250 O SER 39 -2.372 21.782 -11.326 1.00 0.00 ATOM 251 C SER 39 -1.403 22.376 -11.804 1.00 0.00 ATOM 252 N ILE 40 -0.821 23.432 -11.243 1.00 0.00 ATOM 253 CA ILE 40 -1.231 24.000 -9.976 1.00 0.00 ATOM 254 CB ILE 40 -0.173 23.727 -8.883 1.00 0.00 ATOM 255 CG1 ILE 40 -0.040 22.211 -8.654 1.00 0.00 ATOM 256 CG2 ILE 40 -0.543 24.436 -7.582 1.00 0.00 ATOM 257 CD1 ILE 40 1.160 21.792 -7.822 1.00 0.00 ATOM 258 O ILE 40 -0.479 26.157 -10.706 1.00 0.00 ATOM 259 C ILE 40 -1.389 25.501 -10.200 1.00 0.00 ATOM 260 N THR 41 -2.550 26.034 -9.838 1.00 0.00 ATOM 261 CA THR 41 -2.847 27.437 -10.067 1.00 0.00 ATOM 262 CB THR 41 -4.359 27.690 -10.008 1.00 0.00 ATOM 263 CG2 THR 41 -4.680 29.143 -10.329 1.00 0.00 ATOM 264 OG1 THR 41 -5.013 26.833 -10.952 1.00 0.00 ATOM 265 O THR 41 -2.013 28.000 -7.885 1.00 0.00 ATOM 266 C THR 41 -2.128 28.333 -9.064 1.00 0.00 ATOM 267 N LYS 42 -1.652 29.476 -9.549 1.00 0.00 ATOM 268 CA LYS 42 -0.965 30.448 -8.710 1.00 0.00 ATOM 269 CB LYS 42 -0.470 31.625 -9.557 1.00 0.00 ATOM 270 CG LYS 42 0.313 32.673 -8.775 1.00 0.00 ATOM 271 O LYS 42 -3.065 31.222 -7.840 1.00 0.00 ATOM 272 C LYS 42 -1.886 30.950 -7.601 1.00 0.00 ATOM 273 N SER 43 -1.334 31.050 -6.392 1.00 0.00 ATOM 274 CA SER 43 -2.044 31.548 -5.204 1.00 0.00 ATOM 275 CB SER 43 -2.545 32.982 -5.435 1.00 0.00 ATOM 276 OG SER 43 -1.516 33.804 -5.954 1.00 0.00 ATOM 277 O SER 43 -4.020 31.099 -3.921 1.00 0.00 ATOM 278 C SER 43 -3.199 30.663 -4.723 1.00 0.00 ATOM 279 N SER 44 -3.244 29.415 -5.183 1.00 0.00 ATOM 280 CA SER 44 -4.317 28.502 -4.817 1.00 0.00 ATOM 281 CB SER 44 -4.433 27.394 -5.860 1.00 0.00 ATOM 282 OG SER 44 -3.268 26.592 -5.892 1.00 0.00 ATOM 283 O SER 44 -2.954 27.930 -2.924 1.00 0.00 ATOM 284 C SER 44 -4.064 27.862 -3.459 1.00 0.00 ATOM 285 N ALA 45 -5.103 27.229 -2.919 1.00 0.00 ATOM 286 CA ALA 45 -4.984 26.453 -1.689 1.00 0.00 ATOM 287 CB ALA 45 -6.326 25.821 -1.321 1.00 0.00 ATOM 288 O ALA 45 -3.112 25.169 -0.891 1.00 0.00 ATOM 289 C ALA 45 -3.900 25.378 -1.813 1.00 0.00 ATOM 290 N VAL 46 -3.855 24.697 -2.953 1.00 0.00 ATOM 291 CA VAL 46 -2.839 23.677 -3.169 1.00 0.00 ATOM 292 CB VAL 46 -3.132 22.847 -4.434 1.00 0.00 ATOM 293 CG1 VAL 46 -1.902 22.033 -4.857 1.00 0.00 ATOM 294 CG2 VAL 46 -4.327 21.927 -4.190 1.00 0.00 ATOM 295 O VAL 46 -0.507 23.759 -2.592 1.00 0.00 ATOM 296 C VAL 46 -1.433 24.288 -3.215 1.00 0.00 ATOM 297 N GLU 47 -1.269 25.400 -3.936 1.00 0.00 ATOM 298 CA GLU 47 0.038 26.069 -3.987 1.00 0.00 ATOM 299 CB GLU 47 0.042 27.245 -4.967 1.00 0.00 ATOM 300 CG GLU 47 1.451 27.770 -5.278 1.00 0.00 ATOM 301 CD GLU 47 1.443 29.048 -6.094 1.00 0.00 ATOM 302 OE1 GLU 47 0.969 30.085 -5.580 1.00 0.00 ATOM 303 OE2 GLU 47 1.920 29.020 -7.245 1.00 0.00 ATOM 304 O GLU 47 1.592 26.356 -2.177 1.00 0.00 ATOM 305 C GLU 47 0.453 26.554 -2.594 1.00 0.00 ATOM 306 N HIS 48 -0.481 27.162 -1.865 1.00 0.00 ATOM 307 CA HIS 48 -0.180 27.677 -0.532 1.00 0.00 ATOM 308 CB HIS 48 -1.399 28.371 0.072 1.00 0.00 ATOM 309 CG HIS 48 -1.111 29.070 1.363 1.00 0.00 ATOM 310 CD2 HIS 48 -0.810 30.363 1.628 1.00 0.00 ATOM 311 ND1 HIS 48 -1.098 28.417 2.576 1.00 0.00 ATOM 312 CE1 HIS 48 -0.807 29.279 3.534 1.00 0.00 ATOM 313 NE2 HIS 48 -0.629 30.467 2.985 1.00 0.00 ATOM 314 O HIS 48 1.260 26.710 1.137 1.00 0.00 ATOM 315 C HIS 48 0.286 26.556 0.392 1.00 0.00 ATOM 316 N ASP 49 -0.405 25.422 0.335 1.00 0.00 ATOM 317 CA ASP 49 -0.023 24.273 1.146 1.00 0.00 ATOM 318 CB ASP 49 -1.028 23.138 0.990 1.00 0.00 ATOM 319 CG ASP 49 -0.603 21.903 1.723 1.00 0.00 ATOM 320 OD1 ASP 49 0.036 21.042 1.086 1.00 0.00 ATOM 321 OD2 ASP 49 -0.883 21.807 2.936 1.00 0.00 ATOM 322 O ASP 49 2.179 23.477 1.681 1.00 0.00 ATOM 323 C ASP 49 1.387 23.793 0.795 1.00 0.00 ATOM 324 N GLY 50 1.682 23.723 -0.500 1.00 0.00 ATOM 325 CA GLY 50 3.045 23.508 -0.974 1.00 0.00 ATOM 326 O GLY 50 4.536 21.845 -1.798 1.00 0.00 ATOM 327 C GLY 50 3.500 22.073 -1.174 1.00 0.00 ATOM 328 N ARG 51 2.742 21.102 -0.667 1.00 0.00 ATOM 329 CA ARG 51 3.180 19.701 -0.717 1.00 0.00 ATOM 330 CB ARG 51 2.488 18.885 0.371 1.00 0.00 ATOM 331 CG ARG 51 3.046 19.159 1.748 1.00 0.00 ATOM 332 CD ARG 51 2.295 18.392 2.811 1.00 0.00 ATOM 333 NE ARG 51 1.028 19.032 3.120 1.00 0.00 ATOM 334 CZ ARG 51 0.234 18.686 4.126 1.00 0.00 ATOM 335 NH1 ARG 51 -0.891 19.353 4.321 1.00 0.00 ATOM 336 NH2 ARG 51 0.550 17.674 4.930 1.00 0.00 ATOM 337 O ARG 51 3.816 18.273 -2.527 1.00 0.00 ATOM 338 C ARG 51 2.966 19.029 -2.066 1.00 0.00 ATOM 339 N ILE 52 1.820 19.273 -2.689 1.00 0.00 ATOM 340 CA ILE 52 1.469 18.593 -3.933 1.00 0.00 ATOM 341 CB ILE 52 -0.042 18.723 -4.217 1.00 0.00 ATOM 342 CG1 ILE 52 -0.834 17.966 -3.145 1.00 0.00 ATOM 343 CG2 ILE 52 -0.388 18.202 -5.615 1.00 0.00 ATOM 344 CD1 ILE 52 -2.327 18.249 -3.137 1.00 0.00 ATOM 345 O ILE 52 2.604 20.334 -5.160 1.00 0.00 ATOM 346 C ILE 52 2.308 19.134 -5.091 1.00 0.00 ATOM 347 N GLN 53 2.710 18.226 -5.981 1.00 0.00 ATOM 348 CA GLN 53 3.546 18.553 -7.129 1.00 0.00 ATOM 349 CB GLN 53 4.960 18.004 -6.917 1.00 0.00 ATOM 350 CG GLN 53 5.720 18.679 -5.792 1.00 0.00 ATOM 351 CD GLN 53 7.025 17.988 -5.459 1.00 0.00 ATOM 352 OE1 GLN 53 7.526 17.173 -6.238 1.00 0.00 ATOM 353 NE2 GLN 53 7.591 18.319 -4.299 1.00 0.00 ATOM 354 O GLN 53 2.246 16.973 -8.393 1.00 0.00 ATOM 355 C GLN 53 2.970 17.966 -8.412 1.00 0.00 ATOM 356 N ILE 54 3.311 18.593 -9.529 1.00 0.00 ATOM 357 CA ILE 54 2.981 18.041 -10.833 1.00 0.00 ATOM 358 CB ILE 54 3.499 18.944 -11.970 1.00 0.00 ATOM 359 CG1 ILE 54 2.771 20.299 -11.935 1.00 0.00 ATOM 360 CG2 ILE 54 3.326 18.255 -13.316 1.00 0.00 ATOM 361 CD1 ILE 54 3.329 21.306 -12.902 1.00 0.00 ATOM 362 O ILE 54 4.709 16.381 -10.543 1.00 0.00 ATOM 363 C ILE 54 3.571 16.627 -10.940 1.00 0.00 ATOM 364 N GLY 55 2.769 15.696 -11.445 1.00 0.00 ATOM 365 CA GLY 55 3.177 14.308 -11.598 1.00 0.00 ATOM 366 O GLY 55 2.870 12.185 -10.582 1.00 0.00 ATOM 367 C GLY 55 2.747 13.397 -10.465 1.00 0.00 ATOM 368 N ASP 56 2.258 13.969 -9.368 1.00 0.00 ATOM 369 CA ASP 56 1.707 13.171 -8.272 1.00 0.00 ATOM 370 CB ASP 56 1.404 14.046 -7.047 1.00 0.00 ATOM 371 CG ASP 56 2.652 14.582 -6.369 1.00 0.00 ATOM 372 OD1 ASP 56 3.772 14.170 -6.734 1.00 0.00 ATOM 373 OD2 ASP 56 2.505 15.440 -5.470 1.00 0.00 ATOM 374 O ASP 56 -0.394 13.127 -9.401 1.00 0.00 ATOM 375 C ASP 56 0.421 12.499 -8.727 1.00 0.00 ATOM 376 N GLN 57 0.254 11.227 -8.366 1.00 0.00 ATOM 377 CA GLN 57 -0.988 10.504 -8.638 1.00 0.00 ATOM 378 CB GLN 57 -0.728 8.995 -8.814 1.00 0.00 ATOM 379 CG GLN 57 -1.953 8.250 -9.356 1.00 0.00 ATOM 380 CD GLN 57 -1.759 6.757 -9.524 1.00 0.00 ATOM 381 OE1 GLN 57 -0.638 6.261 -9.521 1.00 0.00 ATOM 382 NE2 GLN 57 -2.857 6.037 -9.692 1.00 0.00 ATOM 383 O GLN 57 -1.581 10.579 -6.334 1.00 0.00 ATOM 384 C GLN 57 -1.963 10.710 -7.487 1.00 0.00 ATOM 385 N ILE 58 -3.225 11.021 -7.790 1.00 0.00 ATOM 386 CA ILE 58 -4.252 11.057 -6.746 1.00 0.00 ATOM 387 CB ILE 58 -5.388 12.041 -7.060 1.00 0.00 ATOM 388 CG1 ILE 58 -4.814 13.459 -7.235 1.00 0.00 ATOM 389 CG2 ILE 58 -6.419 12.002 -5.942 1.00 0.00 ATOM 390 CD1 ILE 58 -5.844 14.549 -7.366 1.00 0.00 ATOM 391 O ILE 58 -5.389 9.105 -7.519 1.00 0.00 ATOM 392 C ILE 58 -4.800 9.643 -6.582 1.00 0.00 ATOM 393 N ILE 59 -4.584 9.045 -5.408 1.00 0.00 ATOM 394 CA ILE 59 -4.989 7.660 -5.180 1.00 0.00 ATOM 395 CB ILE 59 -3.792 6.762 -4.747 1.00 0.00 ATOM 396 CG1 ILE 59 -3.203 7.181 -3.396 1.00 0.00 ATOM 397 CG2 ILE 59 -2.715 6.763 -5.837 1.00 0.00 ATOM 398 CD1 ILE 59 -2.292 6.113 -2.777 1.00 0.00 ATOM 399 O ILE 59 -6.765 6.404 -4.166 1.00 0.00 ATOM 400 C ILE 59 -6.178 7.483 -4.222 1.00 0.00 ATOM 401 N ALA 60 -6.535 8.528 -3.478 1.00 0.00 ATOM 402 CA ALA 60 -7.741 8.484 -2.643 1.00 0.00 ATOM 403 CB ALA 60 -7.466 7.794 -1.302 1.00 0.00 ATOM 404 O ALA 60 -7.511 10.863 -2.407 1.00 0.00 ATOM 405 C ALA 60 -8.277 9.893 -2.428 1.00 0.00 ATOM 406 N VAL 61 -9.596 9.984 -2.273 1.00 0.00 ATOM 407 CA VAL 61 -10.280 11.238 -1.988 1.00 0.00 ATOM 408 CB VAL 61 -11.025 11.781 -3.239 1.00 0.00 ATOM 409 CG1 VAL 61 -11.758 13.080 -2.920 1.00 0.00 ATOM 410 CG2 VAL 61 -10.069 11.976 -4.402 1.00 0.00 ATOM 411 O VAL 61 -12.167 10.098 -1.081 1.00 0.00 ATOM 412 C VAL 61 -11.310 10.955 -0.901 1.00 0.00 ATOM 413 N ASP 62 -11.224 11.660 0.224 1.00 0.00 ATOM 414 CA ASP 62 -12.267 11.598 1.262 1.00 0.00 ATOM 415 CB ASP 62 -13.541 12.307 0.773 1.00 0.00 ATOM 416 CG ASP 62 -13.343 13.792 0.546 1.00 0.00 ATOM 417 OD1 ASP 62 -12.495 14.401 1.235 1.00 0.00 ATOM 418 OD2 ASP 62 -14.049 14.353 -0.323 1.00 0.00 ATOM 419 O ASP 62 -13.803 9.832 1.828 1.00 0.00 ATOM 420 C ASP 62 -12.622 10.167 1.683 1.00 0.00 ATOM 421 N GLY 63 -11.608 9.325 1.865 1.00 0.00 ATOM 422 CA GLY 63 -11.824 7.931 2.279 1.00 0.00 ATOM 423 O GLY 63 -12.283 5.749 1.407 1.00 0.00 ATOM 424 C GLY 63 -12.127 6.944 1.158 1.00 0.00 ATOM 425 N THR 64 -12.206 7.430 -0.075 1.00 0.00 ATOM 426 CA THR 64 -12.494 6.585 -1.224 1.00 0.00 ATOM 427 CB THR 64 -13.490 7.273 -2.181 1.00 0.00 ATOM 428 CG2 THR 64 -13.745 6.414 -3.412 1.00 0.00 ATOM 429 OG1 THR 64 -14.728 7.510 -1.493 1.00 0.00 ATOM 430 O THR 64 -10.599 7.209 -2.527 1.00 0.00 ATOM 431 C THR 64 -11.195 6.303 -1.968 1.00 0.00 ATOM 432 N ASN 65 -10.762 5.046 -1.957 1.00 0.00 ATOM 433 CA ASN 65 -9.606 4.619 -2.735 1.00 0.00 ATOM 434 CB ASN 65 -9.049 3.276 -2.272 1.00 0.00 ATOM 435 CG ASN 65 -7.714 2.957 -2.924 1.00 0.00 ATOM 436 ND2 ASN 65 -6.629 3.133 -2.180 1.00 0.00 ATOM 437 OD1 ASN 65 -7.662 2.571 -4.089 1.00 0.00 ATOM 438 O ASN 65 -10.987 3.962 -4.580 1.00 0.00 ATOM 439 C ASN 65 -9.980 4.562 -4.211 1.00 0.00 ATOM 440 N LEU 66 -9.161 5.196 -5.044 1.00 0.00 ATOM 441 CA LEU 66 -9.452 5.346 -6.465 1.00 0.00 ATOM 442 CB LEU 66 -9.030 6.735 -6.933 1.00 0.00 ATOM 443 CG LEU 66 -9.589 7.939 -6.192 1.00 0.00 ATOM 444 CD1 LEU 66 -9.000 9.199 -6.811 1.00 0.00 ATOM 445 CD2 LEU 66 -11.103 7.961 -6.233 1.00 0.00 ATOM 446 O LEU 66 -8.996 4.317 -8.549 1.00 0.00 ATOM 447 C LEU 66 -8.743 4.348 -7.353 1.00 0.00 ATOM 448 N GLN 67 -7.833 3.558 -6.802 1.00 0.00 ATOM 449 CA GLN 67 -6.881 2.842 -7.657 1.00 0.00 ATOM 450 CB GLN 67 -5.712 2.315 -6.821 1.00 0.00 ATOM 451 CG GLN 67 -4.828 3.450 -6.299 1.00 0.00 ATOM 452 CD GLN 67 -3.778 2.987 -5.314 1.00 0.00 ATOM 453 OE1 GLN 67 -4.060 2.792 -4.128 1.00 0.00 ATOM 454 NE2 GLN 67 -2.553 2.825 -5.795 1.00 0.00 ATOM 455 O GLN 67 -6.928 1.387 -9.570 1.00 0.00 ATOM 456 C GLN 67 -7.505 1.751 -8.542 1.00 0.00 ATOM 457 N GLY 68 -8.683 1.252 -8.172 1.00 0.00 ATOM 458 CA GLY 68 -9.422 0.310 -9.031 1.00 0.00 ATOM 459 O GLY 68 -11.086 0.237 -10.761 1.00 0.00 ATOM 460 C GLY 68 -10.423 0.939 -9.999 1.00 0.00 ATOM 461 N PHE 69 -10.524 2.261 -9.983 1.00 0.00 ATOM 462 CA PHE 69 -11.529 2.981 -10.758 1.00 0.00 ATOM 463 CB PHE 69 -11.802 4.338 -10.094 1.00 0.00 ATOM 464 CG PHE 69 -12.608 4.272 -8.812 1.00 0.00 ATOM 465 CD1 PHE 69 -12.907 3.069 -8.177 1.00 0.00 ATOM 466 CD2 PHE 69 -13.067 5.448 -8.238 1.00 0.00 ATOM 467 CE1 PHE 69 -13.656 3.061 -7.009 1.00 0.00 ATOM 468 CE2 PHE 69 -13.804 5.445 -7.071 1.00 0.00 ATOM 469 CZ PHE 69 -14.109 4.257 -6.461 1.00 0.00 ATOM 470 O PHE 69 -9.849 3.230 -12.448 1.00 0.00 ATOM 471 C PHE 69 -11.049 3.230 -12.184 1.00 0.00 ATOM 472 N THR 70 -11.978 3.479 -13.102 1.00 0.00 ATOM 473 CA THR 70 -11.590 4.036 -14.395 1.00 0.00 ATOM 474 CB THR 70 -12.732 4.050 -15.420 1.00 0.00 ATOM 475 CG2 THR 70 -13.332 2.665 -15.616 1.00 0.00 ATOM 476 OG1 THR 70 -13.728 4.983 -15.000 1.00 0.00 ATOM 477 O THR 70 -11.472 6.085 -13.156 1.00 0.00 ATOM 478 C THR 70 -11.119 5.466 -14.156 1.00 0.00 ATOM 479 N ASN 71 -10.308 5.991 -15.060 1.00 0.00 ATOM 480 CA ASN 71 -9.791 7.340 -14.866 1.00 0.00 ATOM 481 CB ASN 71 -8.775 7.696 -15.955 1.00 0.00 ATOM 482 CG ASN 71 -7.471 6.943 -15.803 1.00 0.00 ATOM 483 ND2 ASN 71 -6.710 6.855 -16.891 1.00 0.00 ATOM 484 OD1 ASN 71 -7.142 6.457 -14.721 1.00 0.00 ATOM 485 O ASN 71 -10.892 9.281 -13.994 1.00 0.00 ATOM 486 C ASN 71 -10.919 8.366 -14.818 1.00 0.00 ATOM 487 N GLN 72 -11.925 8.214 -15.678 1.00 0.00 ATOM 488 CA GLN 72 -13.047 9.148 -15.661 1.00 0.00 ATOM 489 CB GLN 72 -13.930 9.020 -16.916 1.00 0.00 ATOM 490 CG GLN 72 -14.658 7.689 -17.137 1.00 0.00 ATOM 491 CD GLN 72 -13.853 6.665 -17.912 1.00 0.00 ATOM 492 OE1 GLN 72 -12.620 6.646 -17.856 1.00 0.00 ATOM 493 NE2 GLN 72 -14.554 5.781 -18.616 1.00 0.00 ATOM 494 O GLN 72 -14.321 10.020 -13.825 1.00 0.00 ATOM 495 C GLN 72 -13.861 9.027 -14.365 1.00 0.00 ATOM 496 N GLN 73 -14.029 7.807 -13.861 1.00 0.00 ATOM 497 CA GLN 73 -14.693 7.600 -12.576 1.00 0.00 ATOM 498 CB GLN 73 -14.772 6.104 -12.279 1.00 0.00 ATOM 499 CG GLN 73 -15.460 5.727 -10.992 1.00 0.00 ATOM 500 CD GLN 73 -15.396 4.235 -10.729 1.00 0.00 ATOM 501 OE1 GLN 73 -14.742 3.490 -11.460 1.00 0.00 ATOM 502 NE2 GLN 73 -16.066 3.796 -9.673 1.00 0.00 ATOM 503 O GLN 73 -14.564 9.000 -10.611 1.00 0.00 ATOM 504 C GLN 73 -13.949 8.346 -11.462 1.00 0.00 ATOM 505 N ALA 74 -12.623 8.254 -11.474 1.00 0.00 ATOM 506 CA ALA 74 -11.798 8.953 -10.491 1.00 0.00 ATOM 507 CB ALA 74 -10.340 8.506 -10.618 1.00 0.00 ATOM 508 O ALA 74 -12.043 11.190 -9.645 1.00 0.00 ATOM 509 C ALA 74 -11.918 10.474 -10.642 1.00 0.00 ATOM 510 N VAL 75 -11.872 10.960 -11.885 1.00 0.00 ATOM 511 CA VAL 75 -12.062 12.380 -12.163 1.00 0.00 ATOM 512 CB VAL 75 -11.990 12.686 -13.693 1.00 0.00 ATOM 513 CG1 VAL 75 -12.606 14.047 -14.022 1.00 0.00 ATOM 514 CG2 VAL 75 -10.549 12.598 -14.187 1.00 0.00 ATOM 515 O VAL 75 -13.456 13.916 -10.941 1.00 0.00 ATOM 516 C VAL 75 -13.389 12.858 -11.565 1.00 0.00 ATOM 517 N GLU 76 -14.441 12.070 -11.742 1.00 0.00 ATOM 518 CA GLU 76 -15.757 12.470 -11.263 1.00 0.00 ATOM 519 CB GLU 76 -16.846 11.573 -11.860 1.00 0.00 ATOM 520 CG GLU 76 -16.941 11.645 -13.406 1.00 0.00 ATOM 521 CD GLU 76 -17.276 13.034 -13.944 1.00 0.00 ATOM 522 OE1 GLU 76 -17.676 13.901 -13.150 1.00 0.00 ATOM 523 OE2 GLU 76 -17.155 13.261 -15.170 1.00 0.00 ATOM 524 O GLU 76 -16.539 13.389 -9.186 1.00 0.00 ATOM 525 C GLU 76 -15.838 12.534 -9.731 1.00 0.00 ATOM 526 N VAL 77 -15.113 11.665 -9.032 1.00 0.00 ATOM 527 CA VAL 77 -15.032 11.784 -7.575 1.00 0.00 ATOM 528 CB VAL 77 -14.183 10.668 -6.927 1.00 0.00 ATOM 529 CG1 VAL 77 -14.073 10.896 -5.425 1.00 0.00 ATOM 530 CG2 VAL 77 -14.795 9.306 -7.207 1.00 0.00 ATOM 531 O VAL 77 -15.041 13.847 -6.340 1.00 0.00 ATOM 532 C VAL 77 -14.478 13.159 -7.193 1.00 0.00 ATOM 533 N LEU 78 -13.392 13.573 -7.842 1.00 0.00 ATOM 534 CA LEU 78 -12.798 14.884 -7.559 1.00 0.00 ATOM 535 CB LEU 78 -11.480 15.080 -8.315 1.00 0.00 ATOM 536 CG LEU 78 -10.244 14.462 -7.669 1.00 0.00 ATOM 537 CD1 LEU 78 -9.890 15.188 -6.381 1.00 0.00 ATOM 538 CD2 LEU 78 -10.428 12.976 -7.418 1.00 0.00 ATOM 539 O LEU 78 -13.841 17.004 -7.141 1.00 0.00 ATOM 540 C LEU 78 -13.754 16.024 -7.888 1.00 0.00 ATOM 541 N ARG 79 -14.477 15.896 -8.998 1.00 0.00 ATOM 542 CA ARG 79 -15.357 16.971 -9.458 1.00 0.00 ATOM 543 CB ARG 79 -15.901 16.683 -10.862 1.00 0.00 ATOM 544 CG ARG 79 -14.844 16.755 -11.941 1.00 0.00 ATOM 545 CD ARG 79 -15.419 16.567 -13.333 1.00 0.00 ATOM 546 NE ARG 79 -16.226 17.708 -13.755 1.00 0.00 ATOM 547 CZ ARG 79 -17.548 17.718 -13.912 1.00 0.00 ATOM 548 NH1 ARG 79 -18.279 16.628 -13.708 1.00 0.00 ATOM 549 NH2 ARG 79 -18.149 18.839 -14.293 1.00 0.00 ATOM 550 O ARG 79 -17.044 18.309 -8.426 1.00 0.00 ATOM 551 C ARG 79 -16.514 17.201 -8.499 1.00 0.00 ATOM 552 N HIS 80 -16.908 16.154 -7.774 1.00 0.00 ATOM 553 CA HIS 80 -18.103 16.207 -6.945 1.00 0.00 ATOM 554 CB HIS 80 -18.965 14.967 -7.226 1.00 0.00 ATOM 555 CG HIS 80 -19.554 14.945 -8.611 1.00 0.00 ATOM 556 CD2 HIS 80 -20.729 15.422 -9.088 1.00 0.00 ATOM 557 ND1 HIS 80 -18.902 14.393 -9.693 1.00 0.00 ATOM 558 CE1 HIS 80 -19.657 14.518 -10.771 1.00 0.00 ATOM 559 NE2 HIS 80 -20.771 15.140 -10.433 1.00 0.00 ATOM 560 O HIS 80 -18.659 16.244 -4.594 1.00 0.00 ATOM 561 C HIS 80 -17.790 16.400 -5.446 1.00 0.00 ATOM 562 N THR 81 -16.560 16.797 -5.140 1.00 0.00 ATOM 563 CA THR 81 -16.144 17.050 -3.763 1.00 0.00 ATOM 564 CB THR 81 -14.607 17.217 -3.650 1.00 0.00 ATOM 565 CG2 THR 81 -13.894 15.885 -3.828 1.00 0.00 ATOM 566 OG1 THR 81 -14.141 18.150 -4.635 1.00 0.00 ATOM 567 O THR 81 -17.173 19.220 -3.930 1.00 0.00 ATOM 568 C THR 81 -16.780 18.310 -3.190 1.00 0.00 ATOM 569 N GLY 82 -16.865 18.351 -1.861 1.00 0.00 ATOM 570 CA GLY 82 -17.286 19.546 -1.128 1.00 0.00 ATOM 571 O GLY 82 -15.077 20.353 -1.520 1.00 0.00 ATOM 572 C GLY 82 -16.114 20.475 -0.878 1.00 0.00 ATOM 573 N GLN 83 -16.260 21.398 0.066 1.00 0.00 ATOM 574 CA GLN 83 -15.243 22.434 0.258 1.00 0.00 ATOM 575 CB GLN 83 -15.781 23.605 1.088 1.00 0.00 ATOM 576 CG GLN 83 -14.833 24.797 1.058 1.00 0.00 ATOM 577 CD GLN 83 -15.229 25.945 1.952 1.00 0.00 ATOM 578 OE1 GLN 83 -16.284 25.934 2.597 1.00 0.00 ATOM 579 NE2 GLN 83 -14.373 26.961 1.991 1.00 0.00 ATOM 580 O GLN 83 -12.873 22.397 0.562 1.00 0.00 ATOM 581 C GLN 83 -13.955 21.927 0.896 1.00 0.00 ATOM 582 N THR 84 -14.077 20.987 1.820 1.00 0.00 ATOM 583 CA THR 84 -12.910 20.430 2.495 1.00 0.00 ATOM 584 CB THR 84 -13.069 20.469 4.025 1.00 0.00 ATOM 585 CG2 THR 84 -11.894 19.797 4.718 1.00 0.00 ATOM 586 OG1 THR 84 -13.137 21.838 4.449 1.00 0.00 ATOM 587 O THR 84 -13.623 18.218 1.923 1.00 0.00 ATOM 588 C THR 84 -12.690 19.022 1.975 1.00 0.00 ATOM 589 N VAL 85 -11.449 18.751 1.582 1.00 0.00 ATOM 590 CA VAL 85 -11.084 17.523 0.888 1.00 0.00 ATOM 591 CB VAL 85 -10.808 17.799 -0.623 1.00 0.00 ATOM 592 CG1 VAL 85 -10.648 16.496 -1.385 1.00 0.00 ATOM 593 CG2 VAL 85 -11.930 18.633 -1.240 1.00 0.00 ATOM 594 O VAL 85 -8.859 17.657 1.761 1.00 0.00 ATOM 595 C VAL 85 -9.822 16.934 1.515 1.00 0.00 ATOM 596 N LEU 86 -9.831 15.630 1.784 1.00 0.00 ATOM 597 CA LEU 86 -8.597 14.909 2.127 1.00 0.00 ATOM 598 CB LEU 86 -8.806 13.940 3.291 1.00 0.00 ATOM 599 CG LEU 86 -7.578 13.112 3.709 1.00 0.00 ATOM 600 CD1 LEU 86 -6.455 13.977 4.286 1.00 0.00 ATOM 601 CD2 LEU 86 -7.982 12.035 4.707 1.00 0.00 ATOM 602 O LEU 86 -8.835 13.260 0.409 1.00 0.00 ATOM 603 C LEU 86 -8.140 14.151 0.890 1.00 0.00 ATOM 604 N LEU 87 -6.988 14.543 0.358 1.00 0.00 ATOM 605 CA LEU 87 -6.400 13.859 -0.784 1.00 0.00 ATOM 606 CB LEU 87 -5.845 14.864 -1.790 1.00 0.00 ATOM 607 CG LEU 87 -6.831 15.804 -2.472 1.00 0.00 ATOM 608 CD1 LEU 87 -6.074 16.736 -3.412 1.00 0.00 ATOM 609 CD2 LEU 87 -7.888 15.021 -3.232 1.00 0.00 ATOM 610 O LEU 87 -4.461 13.407 0.513 1.00 0.00 ATOM 611 C LEU 87 -5.263 12.984 -0.315 1.00 0.00 ATOM 612 N THR 88 -5.194 11.770 -0.858 1.00 0.00 ATOM 613 CA THR 88 -4.018 10.931 -0.705 1.00 0.00 ATOM 614 CB THR 88 -4.360 9.532 -0.174 1.00 0.00 ATOM 615 CG2 THR 88 -3.090 8.747 0.128 1.00 0.00 ATOM 616 OG1 THR 88 -5.125 9.661 1.030 1.00 0.00 ATOM 617 O THR 88 -4.018 10.549 -3.069 1.00 0.00 ATOM 618 C THR 88 -3.353 10.826 -2.064 1.00 0.00 ATOM 619 N LEU 89 -2.044 11.056 -2.080 1.00 0.00 ATOM 620 CA LEU 89 -1.269 11.074 -3.308 1.00 0.00 ATOM 621 CB LEU 89 -0.727 12.476 -3.577 1.00 0.00 ATOM 622 CG LEU 89 -1.826 13.541 -3.698 1.00 0.00 ATOM 623 CD1 LEU 89 -2.010 14.258 -2.351 1.00 0.00 ATOM 624 CD2 LEU 89 -1.536 14.515 -4.827 1.00 0.00 ATOM 625 O LEU 89 0.384 9.781 -2.161 1.00 0.00 ATOM 626 C LEU 89 -0.112 10.098 -3.242 1.00 0.00 ATOM 627 N MET 90 0.308 9.640 -4.415 1.00 0.00 ATOM 628 CA MET 90 1.477 8.798 -4.562 1.00 0.00 ATOM 629 CB MET 90 1.064 7.410 -5.044 1.00 0.00 ATOM 630 CG MET 90 2.223 6.439 -5.163 1.00 0.00 ATOM 631 SD MET 90 1.707 4.806 -5.713 1.00 0.00 ATOM 632 CE MET 90 0.702 4.288 -4.320 1.00 0.00 ATOM 633 O MET 90 1.974 9.906 -6.627 1.00 0.00 ATOM 634 C MET 90 2.409 9.448 -5.579 1.00 0.00 ATOM 635 N ARG 91 3.689 9.469 -5.242 1.00 0.00 ATOM 636 CA ARG 91 4.727 10.082 -6.043 1.00 0.00 ATOM 637 CB ARG 91 5.324 11.250 -5.242 1.00 0.00 ATOM 638 CG ARG 91 6.439 12.011 -5.892 1.00 0.00 ATOM 639 CD ARG 91 6.884 13.103 -4.954 1.00 0.00 ATOM 640 NE ARG 91 5.835 14.107 -4.799 1.00 0.00 ATOM 641 CZ ARG 91 5.822 15.057 -3.872 1.00 0.00 ATOM 642 NH1 ARG 91 6.778 15.134 -2.952 1.00 0.00 ATOM 643 NH2 ARG 91 4.830 15.928 -3.860 1.00 0.00 ATOM 644 O ARG 91 6.403 8.544 -5.333 1.00 0.00 ATOM 645 C ARG 91 5.779 9.008 -6.283 1.00 0.00 ATOM 646 N ARG 92 5.968 8.600 -7.536 1.00 0.00 ATOM 647 CA ARG 92 6.914 7.529 -7.862 1.00 0.00 ATOM 648 CB ARG 92 6.397 6.674 -9.016 1.00 0.00 ATOM 649 CG ARG 92 5.195 5.844 -8.646 1.00 0.00 ATOM 650 CD ARG 92 4.758 4.902 -9.773 1.00 0.00 ATOM 651 NE ARG 92 3.531 4.197 -9.401 1.00 0.00 ATOM 652 CZ ARG 92 2.311 4.740 -9.410 1.00 0.00 ATOM 653 NH1 ARG 92 2.127 6.004 -9.771 1.00 0.00 ATOM 654 NH2 ARG 92 1.262 4.013 -9.038 1.00 0.00 ATOM 655 O ARG 92 8.427 8.926 -9.097 1.00 0.00 ATOM 656 C ARG 92 8.291 8.079 -8.208 1.00 0.00 ATOM 657 N GLY 93 9.307 7.582 -7.510 1.00 0.00 ATOM 658 CA GLY 93 10.684 8.004 -7.730 1.00 0.00 ATOM 659 O GLY 93 12.577 7.352 -8.995 1.00 0.00 ATOM 660 C GLY 93 11.557 6.991 -8.437 1.00 0.00 ATOM 661 N GLU 94 11.175 5.722 -8.384 1.00 0.00 ATOM 662 CA GLU 94 11.908 4.664 -9.073 1.00 0.00 ATOM 663 CB GLU 94 12.894 3.954 -8.137 1.00 0.00 ATOM 664 CG GLU 94 13.675 2.823 -8.813 1.00 0.00 ATOM 665 CD GLU 94 14.649 2.147 -7.895 1.00 0.00 ATOM 666 OE1 GLU 94 15.857 2.455 -7.973 1.00 0.00 ATOM 667 OE2 GLU 94 14.204 1.304 -7.091 1.00 0.00 ATOM 668 O GLU 94 9.990 3.268 -8.903 1.00 0.00 ATOM 669 C GLU 94 10.919 3.664 -9.614 1.00 0.00 ATOM 670 N THR 95 11.116 3.267 -10.872 1.00 0.00 ATOM 671 CA THR 95 10.252 2.284 -11.521 1.00 0.00 ATOM 672 CB THR 95 9.166 2.973 -12.381 1.00 0.00 ATOM 673 CG2 THR 95 9.784 3.698 -13.569 1.00 0.00 ATOM 674 OG1 THR 95 8.222 2.001 -12.848 1.00 0.00 ATOM 675 O THR 95 12.135 1.753 -12.900 1.00 0.00 ATOM 676 C THR 95 11.079 1.370 -12.407 1.00 0.00 ATOM 677 N SER 96 10.574 0.158 -12.610 1.00 0.00 ATOM 678 CA SER 96 11.159 -0.781 -13.547 1.00 0.00 ATOM 679 CB SER 96 11.370 -2.131 -12.873 1.00 0.00 ATOM 680 OG SER 96 12.336 -2.012 -11.837 1.00 0.00 ATOM 681 O SER 96 9.047 -1.228 -14.592 1.00 0.00 ATOM 682 C SER 96 10.225 -0.890 -14.741 1.00 0.00 ATOM 683 N VAL 97 10.753 -0.578 -15.921 1.00 0.00 ATOM 684 CA VAL 97 9.963 -0.563 -17.147 1.00 0.00 ATOM 685 CB VAL 97 9.789 0.880 -17.678 1.00 0.00 ATOM 686 CG1 VAL 97 8.941 1.706 -16.709 1.00 0.00 ATOM 687 CG2 VAL 97 11.148 1.538 -17.912 1.00 0.00 ATOM 688 O VAL 97 11.703 -1.951 -18.097 1.00 0.00 ATOM 689 C VAL 97 10.580 -1.442 -18.226 1.00 0.00 ENDMDL # command:# Prefix for output files set to decoys/ # command:# request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_1198941002.pdb -s /var/tmp/to_scwrl_1198941002.seq -o /var/tmp/from_scwrl_1198941002.pdb > /var/tmp/scwrl_1198941002.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1198941002.pdb # conformation set from SCWRL output # command:# naming current conformation model1-scwrl # command:# ReadConformPDB reading from PDB file model2.ts-submitted looking for model 1 # Found a chain break before 30 # copying to AlignedFragments data structure # command:Warning: Couldn't open file decoys/model2.gdt for output # fraction of real conformation used = 1.000 # GDT_score = -80.914 # GDT_score(maxd=8.000,maxw=2.900)= -83.286 # GDT_score(maxd=8.000,maxw=3.200)= -80.764 # GDT_score(maxd=8.000,maxw=3.500)= -77.947 # GDT_score(maxd=10.000,maxw=3.800)= -79.730 # GDT_score(maxd=10.000,maxw=4.000)= -77.924 # GDT_score(maxd=10.000,maxw=4.200)= -76.118 # GDT_score(maxd=12.000,maxw=4.300)= -78.929 # GDT_score(maxd=12.000,maxw=4.500)= -77.174 # GDT_score(maxd=12.000,maxw=4.700)= -75.455 # GDT_score(maxd=14.000,maxw=5.200)= -74.254 # GDT_score(maxd=14.000,maxw=5.500)= -71.691 # command:# request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_1949989765.pdb -s /var/tmp/to_scwrl_1949989765.seq -o /var/tmp/from_scwrl_1949989765.pdb > /var/tmp/scwrl_1949989765.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1949989765.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 25 # 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 = -77.419 # GDT_score(maxd=8.000,maxw=2.900)= -80.159 # GDT_score(maxd=8.000,maxw=3.200)= -76.815 # GDT_score(maxd=8.000,maxw=3.500)= -73.480 # GDT_score(maxd=10.000,maxw=3.800)= -75.948 # GDT_score(maxd=10.000,maxw=4.000)= -73.772 # GDT_score(maxd=10.000,maxw=4.200)= -71.596 # GDT_score(maxd=12.000,maxw=4.300)= -75.001 # GDT_score(maxd=12.000,maxw=4.500)= -72.875 # GDT_score(maxd=12.000,maxw=4.700)= -70.761 # GDT_score(maxd=14.000,maxw=5.200)= -69.382 # GDT_score(maxd=14.000,maxw=5.500)= -66.648 # command:# request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_1911696077.pdb -s /var/tmp/to_scwrl_1911696077.seq -o /var/tmp/from_scwrl_1911696077.pdb > /var/tmp/scwrl_1911696077.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1911696077.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 93 # 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 = -86.290 # GDT_score(maxd=8.000,maxw=2.900)= -88.407 # GDT_score(maxd=8.000,maxw=3.200)= -86.091 # GDT_score(maxd=8.000,maxw=3.500)= -83.405 # GDT_score(maxd=10.000,maxw=3.800)= -85.006 # GDT_score(maxd=10.000,maxw=4.000)= -83.155 # GDT_score(maxd=10.000,maxw=4.200)= -81.302 # GDT_score(maxd=12.000,maxw=4.300)= -83.868 # GDT_score(maxd=12.000,maxw=4.500)= -82.069 # GDT_score(maxd=12.000,maxw=4.700)= -80.240 # GDT_score(maxd=14.000,maxw=5.200)= -78.526 # GDT_score(maxd=14.000,maxw=5.500)= -75.676 # command:# request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_1740794341.pdb -s /var/tmp/to_scwrl_1740794341.seq -o /var/tmp/from_scwrl_1740794341.pdb > /var/tmp/scwrl_1740794341.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1740794341.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 # WARNING: incomplete conformation T0359 can't currently be optimized by undertaker # command:Warning: Couldn't open file decoys/model5.gdt for output # fraction of real conformation used = 0.903 # GDT_score = -76.613 # GDT_score(maxd=8.000,maxw=2.900)= -80.035 # GDT_score(maxd=8.000,maxw=3.200)= -77.216 # GDT_score(maxd=8.000,maxw=3.500)= -74.599 # GDT_score(maxd=10.000,maxw=3.800)= -76.093 # GDT_score(maxd=10.000,maxw=4.000)= -74.518 # GDT_score(maxd=10.000,maxw=4.200)= -73.004 # GDT_score(maxd=12.000,maxw=4.300)= -75.223 # GDT_score(maxd=12.000,maxw=4.500)= -73.752 # GDT_score(maxd=12.000,maxw=4.700)= -72.299 # GDT_score(maxd=14.000,maxw=5.200)= -71.120 # GDT_score(maxd=14.000,maxw=5.500)= -68.655 # command:# request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_811975844.pdb -s /var/tmp/to_scwrl_811975844.seq -o /var/tmp/from_scwrl_811975844.pdb > /var/tmp/scwrl_811975844.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_811975844.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 T0359.try1-opt2.pdb looking for model 1 # Found a chain break before 93 # 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 = -86.559 # GDT_score(maxd=8.000,maxw=2.900)= -88.458 # GDT_score(maxd=8.000,maxw=3.200)= -86.176 # GDT_score(maxd=8.000,maxw=3.500)= -83.471 # GDT_score(maxd=10.000,maxw=3.800)= -85.064 # GDT_score(maxd=10.000,maxw=4.000)= -83.204 # GDT_score(maxd=10.000,maxw=4.200)= -81.354 # GDT_score(maxd=12.000,maxw=4.300)= -83.914 # GDT_score(maxd=12.000,maxw=4.500)= -82.125 # GDT_score(maxd=12.000,maxw=4.700)= -80.321 # GDT_score(maxd=14.000,maxw=5.200)= -78.628 # GDT_score(maxd=14.000,maxw=5.500)= -75.754 # command:# Prefix for output files set to # command:Warning: Couldn't open file T0359.try1-real.pdb for output Error: Couldn't open file T0359.try1-real.pdb for output superimposing iter= 0 total_weight= 1061.000 rmsd (weighted)= 2.940 (unweighted)= 8.033 superimposing iter= 1 total_weight= 3600.283 rmsd (weighted)= 1.060 (unweighted)= 7.965 superimposing iter= 2 total_weight= 1627.310 rmsd (weighted)= 0.664 (unweighted)= 7.977 superimposing iter= 3 total_weight= 950.684 rmsd (weighted)= 0.559 (unweighted)= 7.987 superimposing iter= 4 total_weight= 781.443 rmsd (weighted)= 0.522 (unweighted)= 7.993 superimposing iter= 5 total_weight= 726.536 rmsd (weighted)= 0.507 (unweighted)= 7.998 EXPDTA T0359.try1-opt2.pdb MODEL 1 REMARK 44 REMARK 44 model 1 is called T0359.try1-opt2.pdb ATOM 1 N SER A 1 13.287 5.630 -7.861 1.00 0.00 ATOM 2 CA SER A 1 12.369 4.814 -8.703 1.00 0.00 ATOM 3 CB SER A 1 13.254 3.776 -9.454 1.00 0.00 ATOM 4 OG SER A 1 14.120 4.447 -10.348 1.00 0.00 ATOM 5 O SER A 1 11.095 2.904 -8.037 1.00 0.00 ATOM 6 C SER A 1 11.292 4.111 -7.902 1.00 0.00 ATOM 7 N MET A 2 10.573 4.873 -7.088 1.00 0.00 ATOM 8 CA MET A 2 9.500 4.323 -6.258 1.00 0.00 ATOM 9 CB MET A 2 9.792 4.215 -4.772 1.00 0.00 ATOM 10 CG MET A 2 10.084 5.515 -4.092 1.00 0.00 ATOM 11 SD MET A 2 10.517 5.235 -2.329 1.00 0.00 ATOM 12 CE MET A 2 9.547 3.813 -1.894 1.00 0.00 ATOM 13 O MET A 2 8.440 6.439 -6.650 1.00 0.00 ATOM 14 C MET A 2 8.452 5.411 -5.967 1.00 0.00 ATOM 15 N SER A 3 7.558 5.165 -5.008 1.00 0.00 ATOM 16 CA SER A 3 6.464 6.106 -4.684 1.00 0.00 ATOM 17 CB SER A 3 5.153 5.638 -5.332 1.00 0.00 ATOM 18 OG SER A 3 4.734 4.402 -4.780 1.00 0.00 ATOM 19 O SER A 3 6.337 5.268 -2.407 1.00 0.00 ATOM 20 C SER A 3 6.315 6.252 -3.164 1.00 0.00 ATOM 21 N GLU A 4 6.230 7.495 -2.719 1.00 0.00 ATOM 22 CA GLU A 4 5.955 7.790 -1.316 1.00 0.00 ATOM 23 CB GLU A 4 6.878 8.903 -0.815 1.00 0.00 ATOM 24 CG GLU A 4 8.349 8.518 -0.780 1.00 0.00 ATOM 25 CD GLU A 4 9.227 9.627 -0.236 1.00 0.00 ATOM 26 OE1 GLU A 4 8.686 10.699 0.111 1.00 0.00 ATOM 27 OE2 GLU A 4 10.457 9.427 -0.160 1.00 0.00 ATOM 28 O GLU A 4 4.084 9.118 -1.936 1.00 0.00 ATOM 29 C GLU A 4 4.504 8.235 -1.206 1.00 0.00 ATOM 30 N THR A 5 3.747 7.612 -0.313 1.00 0.00 ATOM 31 CA THR A 5 2.341 7.936 -0.132 1.00 0.00 ATOM 32 CB THR A 5 1.525 6.697 0.279 1.00 0.00 ATOM 33 CG2 THR A 5 0.052 7.051 0.420 1.00 0.00 ATOM 34 OG1 THR A 5 1.662 5.678 -0.719 1.00 0.00 ATOM 35 O THR A 5 2.686 8.790 2.099 1.00 0.00 ATOM 36 C THR A 5 2.204 8.980 0.973 1.00 0.00 ATOM 37 N PHE A 6 1.549 10.076 0.641 1.00 0.00 ATOM 38 CA PHE A 6 1.340 11.183 1.580 1.00 0.00 ATOM 39 CB PHE A 6 1.876 12.411 0.950 1.00 0.00 ATOM 40 CG PHE A 6 3.400 12.406 0.999 1.00 0.00 ATOM 41 CD1 PHE A 6 4.157 11.919 -0.074 1.00 0.00 ATOM 42 CD2 PHE A 6 4.005 13.030 2.105 1.00 0.00 ATOM 43 CE1 PHE A 6 5.541 12.088 -0.038 1.00 0.00 ATOM 44 CE2 PHE A 6 5.392 13.176 2.113 1.00 0.00 ATOM 45 CZ PHE A 6 6.122 12.708 1.040 1.00 0.00 ATOM 46 O PHE A 6 -0.927 11.236 0.811 1.00 0.00 ATOM 47 C PHE A 6 -0.140 11.541 1.700 1.00 0.00 ATOM 48 N ASP A 7 -0.513 12.186 2.874 1.00 0.00 ATOM 49 CA ASP A 7 -1.879 12.655 3.104 1.00 0.00 ATOM 50 CB ASP A 7 -2.411 12.146 4.441 1.00 0.00 ATOM 51 CG ASP A 7 -2.602 10.653 4.509 1.00 0.00 ATOM 52 OD1 ASP A 7 -2.462 9.948 3.495 1.00 0.00 ATOM 53 OD2 ASP A 7 -2.795 10.157 5.655 1.00 0.00 ATOM 54 O ASP A 7 -0.975 14.777 3.774 1.00 0.00 ATOM 55 C ASP A 7 -1.792 14.183 3.086 1.00 0.00 ATOM 56 N VAL A 8 -2.631 14.802 2.272 1.00 0.00 ATOM 57 CA VAL A 8 -2.632 16.241 2.087 1.00 0.00 ATOM 58 CB VAL A 8 -2.167 16.622 0.669 1.00 0.00 ATOM 59 CG1 VAL A 8 -2.198 18.131 0.486 1.00 0.00 ATOM 60 CG2 VAL A 8 -0.746 16.137 0.428 1.00 0.00 ATOM 61 O VAL A 8 -4.960 16.377 1.555 1.00 0.00 ATOM 62 C VAL A 8 -4.041 16.776 2.266 1.00 0.00 ATOM 63 N GLU A 9 -4.240 17.643 3.287 1.00 0.00 ATOM 64 CA GLU A 9 -5.536 18.234 3.556 1.00 0.00 ATOM 65 CB GLU A 9 -5.775 18.334 5.065 1.00 0.00 ATOM 66 CG GLU A 9 -7.084 19.011 5.442 1.00 0.00 ATOM 67 CD GLU A 9 -7.278 19.105 6.942 1.00 0.00 ATOM 68 OE1 GLU A 9 -6.389 18.641 7.688 1.00 0.00 ATOM 69 OE2 GLU A 9 -8.321 19.641 7.374 1.00 0.00 ATOM 70 O GLU A 9 -4.680 20.452 3.297 1.00 0.00 ATOM 71 C GLU A 9 -5.542 19.626 2.959 1.00 0.00 ATOM 72 N LEU A 10 -6.502 19.888 2.071 1.00 0.00 ATOM 73 CA LEU A 10 -6.658 21.208 1.480 1.00 0.00 ATOM 74 CB LEU A 10 -6.559 21.138 -0.046 1.00 0.00 ATOM 75 CG LEU A 10 -5.247 20.600 -0.617 1.00 0.00 ATOM 76 CD1 LEU A 10 -5.331 20.471 -2.129 1.00 0.00 ATOM 77 CD2 LEU A 10 -4.093 21.533 -0.283 1.00 0.00 ATOM 78 O LEU A 10 -9.016 21.139 1.996 1.00 0.00 ATOM 79 C LEU A 10 -8.002 21.822 1.842 1.00 0.00 ATOM 80 N THR A 11 -7.984 23.143 1.922 1.00 0.00 ATOM 81 CA THR A 11 -9.156 23.929 2.166 1.00 0.00 ATOM 82 CB THR A 11 -8.941 24.932 3.315 1.00 0.00 ATOM 83 CG2 THR A 11 -10.194 25.767 3.534 1.00 0.00 ATOM 84 OG1 THR A 11 -8.639 24.224 4.523 1.00 0.00 ATOM 85 O THR A 11 -8.576 25.438 0.385 1.00 0.00 ATOM 86 C THR A 11 -9.424 24.664 0.858 1.00 0.00 ATOM 87 N LYS A 12 -10.582 24.417 0.258 1.00 0.00 ATOM 88 CA LYS A 12 -10.937 25.103 -0.986 1.00 0.00 ATOM 89 CB LYS A 12 -12.316 24.654 -1.471 1.00 0.00 ATOM 90 CG LYS A 12 -12.733 25.258 -2.801 1.00 0.00 ATOM 91 CD LYS A 12 -14.080 24.718 -3.255 1.00 0.00 ATOM 92 CE LYS A 12 -14.485 25.301 -4.598 1.00 0.00 ATOM 93 NZ LYS A 12 -15.817 24.802 -5.044 1.00 0.00 ATOM 94 O LYS A 12 -11.528 27.060 0.186 1.00 0.00 ATOM 95 C LYS A 12 -10.976 26.588 -0.798 1.00 0.00 ATOM 96 N ASN A 13 -10.402 27.314 -1.755 1.00 0.00 ATOM 97 CA ASN A 13 -10.590 28.761 -1.879 1.00 0.00 ATOM 98 CB ASN A 13 -9.345 29.414 -2.485 1.00 0.00 ATOM 99 CG ASN A 13 -9.126 29.018 -3.932 1.00 0.00 ATOM 100 ND2 ASN A 13 -7.973 29.389 -4.477 1.00 0.00 ATOM 101 OD1 ASN A 13 -9.984 28.387 -4.549 1.00 0.00 ATOM 102 O ASN A 13 -12.458 28.080 -3.189 1.00 0.00 ATOM 103 C ASN A 13 -11.794 29.018 -2.767 1.00 0.00 ATOM 104 N VAL A 14 -12.099 30.295 -3.052 1.00 0.00 ATOM 105 CA VAL A 14 -13.250 30.613 -3.886 1.00 0.00 ATOM 106 CB VAL A 14 -13.408 32.133 -4.074 1.00 0.00 ATOM 107 CG1 VAL A 14 -14.479 32.433 -5.112 1.00 0.00 ATOM 108 CG2 VAL A 14 -13.812 32.792 -2.763 1.00 0.00 ATOM 109 O VAL A 14 -14.194 29.775 -5.925 1.00 0.00 ATOM 110 C VAL A 14 -13.161 30.017 -5.297 1.00 0.00 ATOM 111 N GLN A 15 -11.811 29.891 -5.731 1.00 0.00 ATOM 112 CA GLN A 15 -11.566 29.311 -7.042 1.00 0.00 ATOM 113 CB GLN A 15 -10.360 29.980 -7.706 1.00 0.00 ATOM 114 CG GLN A 15 -10.506 31.481 -7.888 1.00 0.00 ATOM 115 CD GLN A 15 -11.642 31.849 -8.822 1.00 0.00 ATOM 116 OE1 GLN A 15 -11.794 31.258 -9.891 1.00 0.00 ATOM 117 NE2 GLN A 15 -12.444 32.828 -8.422 1.00 0.00 ATOM 118 O GLN A 15 -10.900 27.223 -8.027 1.00 0.00 ATOM 119 C GLN A 15 -11.315 27.785 -7.023 1.00 0.00 ATOM 120 N GLY A 16 -11.549 27.129 -5.887 1.00 0.00 ATOM 121 CA GLY A 16 -11.436 25.678 -5.783 1.00 0.00 ATOM 122 O GLY A 16 -9.716 25.839 -4.121 1.00 0.00 ATOM 123 C GLY A 16 -10.158 25.223 -5.083 1.00 0.00 ATOM 124 N LEU A 17 -9.693 24.031 -5.450 1.00 0.00 ATOM 125 CA LEU A 17 -8.500 23.438 -4.821 1.00 0.00 ATOM 126 CB LEU A 17 -8.482 21.919 -5.005 1.00 0.00 ATOM 127 CG LEU A 17 -9.583 21.136 -4.287 1.00 0.00 ATOM 128 CD1 LEU A 17 -9.507 19.658 -4.636 1.00 0.00 ATOM 129 CD2 LEU A 17 -9.445 21.276 -2.778 1.00 0.00 ATOM 130 O LEU A 17 -6.170 24.061 -4.834 1.00 0.00 ATOM 131 C LEU A 17 -7.222 24.004 -5.466 1.00 0.00 ATOM 132 N GLY A 18 -7.344 24.439 -6.726 1.00 0.00 ATOM 133 CA GLY A 18 -6.250 25.044 -7.477 1.00 0.00 ATOM 134 O GLY A 18 -4.159 24.280 -8.331 1.00 0.00 ATOM 135 C GLY A 18 -5.368 24.076 -8.255 1.00 0.00 ATOM 136 N ILE A 19 -5.950 23.025 -8.834 1.00 0.00 ATOM 137 CA ILE A 19 -5.168 22.130 -9.655 1.00 0.00 ATOM 138 CB ILE A 19 -4.512 21.018 -8.814 1.00 0.00 ATOM 139 CG1 ILE A 19 -5.581 20.211 -8.073 1.00 0.00 ATOM 140 CG2 ILE A 19 -3.562 21.618 -7.789 1.00 0.00 ATOM 141 CD1 ILE A 19 -5.041 18.982 -7.375 1.00 0.00 ATOM 142 O ILE A 19 -7.234 21.453 -10.659 1.00 0.00 ATOM 143 C ILE A 19 -6.003 21.463 -10.733 1.00 0.00 ATOM 144 N THR A 20 -5.283 20.871 -11.709 1.00 0.00 ATOM 145 CA THR A 20 -5.966 20.160 -12.779 1.00 0.00 ATOM 146 CB THR A 20 -5.897 20.874 -14.166 1.00 0.00 ATOM 147 CG2 THR A 20 -6.316 22.328 -14.061 1.00 0.00 ATOM 148 OG1 THR A 20 -4.563 20.779 -14.681 1.00 0.00 ATOM 149 O THR A 20 -4.288 18.541 -12.301 1.00 0.00 ATOM 150 C THR A 20 -5.385 18.768 -12.822 1.00 0.00 ATOM 151 N ILE A 21 -6.102 17.866 -13.496 1.00 0.00 ATOM 152 CA ILE A 21 -5.721 16.454 -13.560 1.00 0.00 ATOM 153 CB ILE A 21 -6.626 15.584 -12.668 1.00 0.00 ATOM 154 CG1 ILE A 21 -8.084 15.692 -13.120 1.00 0.00 ATOM 155 CG2 ILE A 21 -6.537 16.035 -11.218 1.00 0.00 ATOM 156 CD1 ILE A 21 -9.011 14.714 -12.434 1.00 0.00 ATOM 157 O ILE A 21 -6.581 16.484 -15.815 1.00 0.00 ATOM 158 C ILE A 21 -5.867 15.919 -14.983 1.00 0.00 ATOM 159 N ALA A 22 -5.174 14.781 -15.157 1.00 0.00 ATOM 160 CA ALA A 22 -5.222 14.046 -16.413 1.00 0.00 ATOM 161 CB ALA A 22 -4.018 14.409 -17.231 1.00 0.00 ATOM 162 O ALA A 22 -4.290 12.201 -15.200 1.00 0.00 ATOM 163 C ALA A 22 -4.996 12.565 -16.141 1.00 0.00 ATOM 164 N GLY A 23 -5.637 11.723 -16.896 1.00 0.00 ATOM 165 CA GLY A 23 -5.480 10.289 -16.722 1.00 0.00 ATOM 166 O GLY A 23 -6.911 9.654 -14.899 1.00 0.00 ATOM 167 C GLY A 23 -6.532 9.426 -16.049 1.00 0.00 ATOM 168 N TYR A 24 -6.936 8.196 -16.881 1.00 0.00 ATOM 169 CA TYR A 24 -7.907 7.238 -16.358 1.00 0.00 ATOM 170 CB TYR A 24 -9.303 7.700 -16.464 1.00 0.00 ATOM 171 CG TYR A 24 -9.969 7.954 -17.792 1.00 0.00 ATOM 172 CD1 TYR A 24 -10.635 6.905 -18.465 1.00 0.00 ATOM 173 CD2 TYR A 24 -9.963 9.216 -18.382 1.00 0.00 ATOM 174 CE1 TYR A 24 -11.240 7.110 -19.675 1.00 0.00 ATOM 175 CE2 TYR A 24 -10.570 9.428 -19.609 1.00 0.00 ATOM 176 CZ TYR A 24 -11.231 8.369 -20.212 1.00 0.00 ATOM 177 OH TYR A 24 -11.873 8.587 -21.430 1.00 0.00 ATOM 178 O TYR A 24 -7.143 6.106 -18.340 1.00 0.00 ATOM 179 C TYR A 24 -7.863 6.072 -17.325 1.00 0.00 ATOM 180 N ILE A 25 -8.652 5.052 -17.023 1.00 0.00 ATOM 181 CA ILE A 25 -8.759 3.892 -17.912 1.00 0.00 ATOM 182 CB ILE A 25 -9.554 2.758 -17.250 1.00 0.00 ATOM 183 CG1 ILE A 25 -8.865 2.341 -15.946 1.00 0.00 ATOM 184 CG2 ILE A 25 -9.650 1.578 -18.203 1.00 0.00 ATOM 185 CD1 ILE A 25 -9.602 1.251 -15.186 1.00 0.00 ATOM 186 O ILE A 25 -10.482 5.058 -19.136 1.00 0.00 ATOM 187 C ILE A 25 -9.442 4.394 -19.191 1.00 0.00 ATOM 188 N GLY A 26 -8.720 4.125 -20.386 1.00 0.00 ATOM 189 CA GLY A 26 -9.237 4.573 -21.667 1.00 0.00 ATOM 190 O GLY A 26 -8.888 6.319 -23.180 1.00 0.00 ATOM 191 C GLY A 26 -8.697 5.938 -22.038 1.00 0.00 ATOM 192 N ASP A 27 -8.098 6.645 -21.140 1.00 0.00 ATOM 193 CA ASP A 27 -7.564 7.975 -21.442 1.00 0.00 ATOM 194 CB ASP A 27 -8.604 8.934 -21.785 1.00 0.00 ATOM 195 CG ASP A 27 -8.033 10.277 -22.197 1.00 0.00 ATOM 196 OD1 ASP A 27 -7.192 10.306 -23.122 1.00 0.00 ATOM 197 OD2 ASP A 27 -8.427 11.304 -21.605 1.00 0.00 ATOM 198 O ASP A 27 -6.020 9.051 -19.967 1.00 0.00 ATOM 199 C ASP A 27 -6.194 8.151 -20.789 1.00 0.00 ATOM 200 N LYS A 28 -5.298 7.198 -21.054 1.00 0.00 ATOM 201 CA LYS A 28 -4.048 7.047 -20.296 1.00 0.00 ATOM 202 CB LYS A 28 -3.230 5.871 -20.835 1.00 0.00 ATOM 203 CG LYS A 28 -3.860 4.510 -20.584 1.00 0.00 ATOM 204 CD LYS A 28 -2.987 3.390 -21.126 1.00 0.00 ATOM 205 CE LYS A 28 -3.625 2.031 -20.893 1.00 0.00 ATOM 206 NZ LYS A 28 -2.800 0.926 -21.454 1.00 0.00 ATOM 207 O LYS A 28 -2.886 8.761 -21.475 1.00 0.00 ATOM 208 C LYS A 28 -3.156 8.280 -20.381 1.00 0.00 ATOM 209 N LYS A 29 -2.709 8.785 -19.224 1.00 0.00 ATOM 210 CA LYS A 29 -1.713 9.869 -19.187 1.00 0.00 ATOM 211 CB LYS A 29 -1.674 10.473 -17.808 1.00 0.00 ATOM 212 CG LYS A 29 -0.415 11.331 -17.572 1.00 0.00 ATOM 213 CD LYS A 29 -0.475 12.523 -18.497 1.00 0.00 ATOM 214 CE LYS A 29 0.015 13.784 -17.810 1.00 0.00 ATOM 215 NZ LYS A 29 -0.425 14.950 -18.640 1.00 0.00 ATOM 216 O LYS A 29 0.297 10.014 -20.478 1.00 0.00 ATOM 217 C LYS A 29 -0.390 9.338 -19.707 1.00 0.00 ATOM 218 N LEU A 30 -0.029 8.142 -19.258 1.00 0.00 ATOM 219 CA LEU A 30 1.243 7.509 -19.609 1.00 0.00 ATOM 220 CB LEU A 30 2.116 7.341 -18.364 1.00 0.00 ATOM 221 CG LEU A 30 2.535 8.629 -17.651 1.00 0.00 ATOM 222 CD1 LEU A 30 3.205 8.314 -16.323 1.00 0.00 ATOM 223 CD2 LEU A 30 3.516 9.419 -18.504 1.00 0.00 ATOM 224 O LEU A 30 0.131 5.378 -19.724 1.00 0.00 ATOM 225 C LEU A 30 0.970 6.128 -20.222 1.00 0.00 ATOM 226 N GLU A 31 0.376 3.639 -20.908 1.00 0.00 ATOM 227 CA GLU A 31 0.269 2.384 -20.189 1.00 0.00 ATOM 228 CB GLU A 31 1.489 1.771 -19.747 1.00 0.00 ATOM 229 CG GLU A 31 2.238 1.129 -20.904 1.00 0.00 ATOM 230 CD GLU A 31 1.374 0.156 -21.685 1.00 0.00 ATOM 231 OE1 GLU A 31 0.802 -0.765 -21.063 1.00 0.00 ATOM 232 OE2 GLU A 31 1.267 0.310 -22.920 1.00 0.00 ATOM 233 O GLU A 31 -1.593 2.006 -18.724 1.00 0.00 ATOM 234 C GLU A 31 -0.523 2.578 -18.896 1.00 0.00 ATOM 235 N PRO A 32 -0.066 3.387 -18.047 1.00 0.00 ATOM 236 CA PRO A 32 -0.778 3.650 -16.819 1.00 0.00 ATOM 237 CB PRO A 32 0.159 4.399 -15.891 1.00 0.00 ATOM 238 CG PRO A 32 1.536 4.307 -16.553 1.00 0.00 ATOM 239 CD PRO A 32 1.259 4.050 -18.030 1.00 0.00 ATOM 240 O PRO A 32 -2.499 4.938 -17.907 1.00 0.00 ATOM 241 C PRO A 32 -2.186 4.224 -16.957 1.00 0.00 ATOM 242 N SER A 33 -3.032 3.895 -15.981 1.00 0.00 ATOM 243 CA SER A 33 -4.416 4.352 -15.937 1.00 0.00 ATOM 244 CB SER A 33 -5.407 3.206 -15.723 1.00 0.00 ATOM 245 OG SER A 33 -5.210 2.589 -14.462 1.00 0.00 ATOM 246 O SER A 33 -5.772 5.821 -14.596 1.00 0.00 ATOM 247 C SER A 33 -4.649 5.341 -14.785 1.00 0.00 ATOM 248 N GLY A 34 -3.592 5.631 -14.023 1.00 0.00 ATOM 249 CA GLY A 34 -3.704 6.452 -12.831 1.00 0.00 ATOM 250 O GLY A 34 -3.725 8.411 -14.224 1.00 0.00 ATOM 251 C GLY A 34 -4.035 7.892 -13.146 1.00 0.00 ATOM 252 N ILE A 35 -4.588 8.551 -12.136 1.00 0.00 ATOM 253 CA ILE A 35 -4.936 9.943 -12.211 1.00 0.00 ATOM 254 CB ILE A 35 -6.167 10.257 -11.342 1.00 0.00 ATOM 255 CG1 ILE A 35 -7.383 9.469 -11.835 1.00 0.00 ATOM 256 CG2 ILE A 35 -6.498 11.741 -11.404 1.00 0.00 ATOM 257 CD1 ILE A 35 -8.573 9.536 -10.904 1.00 0.00 ATOM 258 O ILE A 35 -3.263 10.592 -10.634 1.00 0.00 ATOM 259 C ILE A 35 -3.756 10.781 -11.739 1.00 0.00 ATOM 260 N PHE A 36 -3.298 11.737 -12.585 1.00 0.00 ATOM 261 CA PHE A 36 -2.170 12.581 -12.229 1.00 0.00 ATOM 262 CB PHE A 36 -1.125 12.534 -13.331 1.00 0.00 ATOM 263 CG PHE A 36 -0.412 11.218 -13.407 1.00 0.00 ATOM 264 CD1 PHE A 36 0.790 11.029 -12.736 1.00 0.00 ATOM 265 CD2 PHE A 36 -0.956 10.152 -14.123 1.00 0.00 ATOM 266 CE1 PHE A 36 1.441 9.805 -12.776 1.00 0.00 ATOM 267 CE2 PHE A 36 -0.308 8.920 -14.167 1.00 0.00 ATOM 268 CZ PHE A 36 0.892 8.748 -13.494 1.00 0.00 ATOM 269 O PHE A 36 -3.393 14.502 -12.914 1.00 0.00 ATOM 270 C PHE A 36 -2.531 14.034 -12.155 1.00 0.00 ATOM 271 N VAL A 37 -1.856 14.743 -11.257 1.00 0.00 ATOM 272 CA VAL A 37 -1.923 16.215 -11.186 1.00 0.00 ATOM 273 CB VAL A 37 -1.373 16.743 -9.847 1.00 0.00 ATOM 274 CG1 VAL A 37 -1.370 18.263 -9.835 1.00 0.00 ATOM 275 CG2 VAL A 37 -2.229 16.253 -8.689 1.00 0.00 ATOM 276 O VAL A 37 0.107 16.491 -12.456 1.00 0.00 ATOM 277 C VAL A 37 -1.075 16.822 -12.316 1.00 0.00 ATOM 278 N LYS A 38 -1.697 17.645 -13.171 1.00 0.00 ATOM 279 CA LYS A 38 -1.008 18.199 -14.336 1.00 0.00 ATOM 280 CB LYS A 38 -1.896 18.072 -15.575 1.00 0.00 ATOM 281 CG LYS A 38 -2.120 16.640 -16.033 1.00 0.00 ATOM 282 CD LYS A 38 -3.132 16.575 -17.166 1.00 0.00 ATOM 283 CE LYS A 38 -2.515 17.011 -18.485 1.00 0.00 ATOM 284 NZ LYS A 38 -3.462 16.846 -19.622 1.00 0.00 ATOM 285 O LYS A 38 0.131 20.231 -14.864 1.00 0.00 ATOM 286 C LYS A 38 -0.711 19.691 -14.174 1.00 0.00 ATOM 287 N SER A 39 -1.372 20.408 -13.251 1.00 0.00 ATOM 288 CA SER A 39 -1.115 21.830 -13.048 1.00 0.00 ATOM 289 CB SER A 39 -1.843 22.731 -14.046 1.00 0.00 ATOM 290 OG SER A 39 -1.570 24.099 -13.792 1.00 0.00 ATOM 291 O SER A 39 -2.561 21.713 -11.150 1.00 0.00 ATOM 292 C SER A 39 -1.546 22.215 -11.652 1.00 0.00 ATOM 293 N ILE A 40 -0.763 23.089 -11.026 1.00 0.00 ATOM 294 CA ILE A 40 -1.087 23.653 -9.711 1.00 0.00 ATOM 295 CB ILE A 40 -0.034 23.261 -8.658 1.00 0.00 ATOM 296 CG1 ILE A 40 0.033 21.738 -8.513 1.00 0.00 ATOM 297 CG2 ILE A 40 -0.386 23.859 -7.305 1.00 0.00 ATOM 298 CD1 ILE A 40 1.178 21.258 -7.647 1.00 0.00 ATOM 299 O ILE A 40 -0.114 25.793 -10.216 1.00 0.00 ATOM 300 C ILE A 40 -1.117 25.175 -9.875 1.00 0.00 ATOM 301 N THR A 41 -2.293 25.748 -9.663 1.00 0.00 ATOM 302 CA THR A 41 -2.543 27.160 -9.887 1.00 0.00 ATOM 303 CB THR A 41 -4.045 27.488 -9.789 1.00 0.00 ATOM 304 CG2 THR A 41 -4.285 28.966 -10.060 1.00 0.00 ATOM 305 OG1 THR A 41 -4.771 26.716 -10.755 1.00 0.00 ATOM 306 O THR A 41 -1.988 27.856 -7.669 1.00 0.00 ATOM 307 C THR A 41 -1.829 28.024 -8.883 1.00 0.00 ATOM 308 N LYS A 42 -1.035 28.972 -9.381 1.00 0.00 ATOM 309 CA LYS A 42 -0.370 29.898 -8.477 1.00 0.00 ATOM 310 CB LYS A 42 0.470 30.905 -9.265 1.00 0.00 ATOM 311 CG LYS A 42 1.259 31.870 -8.394 1.00 0.00 ATOM 312 CD LYS A 42 2.137 32.782 -9.237 1.00 0.00 ATOM 313 CE LYS A 42 2.914 33.758 -8.368 1.00 0.00 ATOM 314 NZ LYS A 42 3.788 34.649 -9.179 1.00 0.00 ATOM 315 O LYS A 42 -2.419 31.078 -8.162 1.00 0.00 ATOM 316 C LYS A 42 -1.405 30.648 -7.645 1.00 0.00 ATOM 317 N SER A 43 -1.134 30.765 -6.345 1.00 0.00 ATOM 318 CA SER A 43 -2.014 31.431 -5.391 1.00 0.00 ATOM 319 CB SER A 43 -2.141 32.957 -5.886 1.00 0.00 ATOM 320 OG SER A 43 -3.474 33.245 -6.257 1.00 0.00 ATOM 321 O SER A 43 -3.908 31.039 -3.981 1.00 0.00 ATOM 322 C SER A 43 -3.158 30.590 -4.871 1.00 0.00 ATOM 323 N SER A 44 -3.311 29.378 -5.420 1.00 0.00 ATOM 324 CA SER A 44 -4.473 28.541 -5.128 1.00 0.00 ATOM 325 CB SER A 44 -4.750 27.589 -6.295 1.00 0.00 ATOM 326 OG SER A 44 -3.714 26.631 -6.428 1.00 0.00 ATOM 327 O SER A 44 -3.151 27.800 -3.275 1.00 0.00 ATOM 328 C SER A 44 -4.248 27.786 -3.823 1.00 0.00 ATOM 329 N ALA A 45 -5.307 27.070 -3.380 1.00 0.00 ATOM 330 CA ALA A 45 -5.211 26.311 -2.128 1.00 0.00 ATOM 331 CB ALA A 45 -6.522 25.582 -1.875 1.00 0.00 ATOM 332 O ALA A 45 -3.360 25.202 -1.163 1.00 0.00 ATOM 333 C ALA A 45 -4.107 25.285 -2.116 1.00 0.00 ATOM 334 N VAL A 46 -4.017 24.502 -3.186 1.00 0.00 ATOM 335 CA VAL A 46 -3.021 23.451 -3.318 1.00 0.00 ATOM 336 CB VAL A 46 -3.196 22.669 -4.634 1.00 0.00 ATOM 337 CG1 VAL A 46 -2.032 21.713 -4.844 1.00 0.00 ATOM 338 CG2 VAL A 46 -4.483 21.861 -4.606 1.00 0.00 ATOM 339 O VAL A 46 -0.752 23.459 -2.577 1.00 0.00 ATOM 340 C VAL A 46 -1.601 23.997 -3.303 1.00 0.00 ATOM 341 N GLU A 47 -1.370 25.082 -4.056 1.00 0.00 ATOM 342 CA GLU A 47 -0.061 25.778 -4.099 1.00 0.00 ATOM 343 CB GLU A 47 -0.104 26.940 -5.095 1.00 0.00 ATOM 344 CG GLU A 47 1.202 27.707 -5.210 1.00 0.00 ATOM 345 CD GLU A 47 2.313 26.879 -5.825 1.00 0.00 ATOM 346 OE1 GLU A 47 2.014 25.795 -6.368 1.00 0.00 ATOM 347 OE2 GLU A 47 3.481 27.314 -5.765 1.00 0.00 ATOM 348 O GLU A 47 1.352 26.058 -2.214 1.00 0.00 ATOM 349 C GLU A 47 0.277 26.328 -2.726 1.00 0.00 ATOM 350 N HIS A 48 -0.643 27.080 -2.120 1.00 0.00 ATOM 351 CA HIS A 48 -0.355 27.697 -0.808 1.00 0.00 ATOM 352 CB HIS A 48 -1.557 28.509 -0.321 1.00 0.00 ATOM 353 CG HIS A 48 -1.345 29.164 1.008 1.00 0.00 ATOM 354 CD2 HIS A 48 -1.838 28.952 2.361 1.00 0.00 ATOM 355 ND1 HIS A 48 -0.512 30.248 1.179 1.00 0.00 ATOM 356 CE1 HIS A 48 -0.526 30.612 2.473 1.00 0.00 ATOM 357 NE2 HIS A 48 -1.321 29.840 3.188 1.00 0.00 ATOM 358 O HIS A 48 0.866 26.794 1.047 1.00 0.00 ATOM 359 C HIS A 48 -0.047 26.626 0.238 1.00 0.00 ATOM 360 N ASP A 49 -0.794 25.518 0.209 1.00 0.00 ATOM 361 CA ASP A 49 -0.562 24.404 1.136 1.00 0.00 ATOM 362 CB ASP A 49 -1.558 23.273 0.876 1.00 0.00 ATOM 363 CG ASP A 49 -1.442 22.149 1.887 1.00 0.00 ATOM 364 OD1 ASP A 49 -1.667 22.405 3.089 1.00 0.00 ATOM 365 OD2 ASP A 49 -1.125 21.011 1.477 1.00 0.00 ATOM 366 O ASP A 49 1.471 23.440 1.962 1.00 0.00 ATOM 367 C ASP A 49 0.849 23.835 0.981 1.00 0.00 ATOM 368 N GLY A 50 1.339 23.770 -0.244 1.00 0.00 ATOM 369 CA GLY A 50 2.750 23.467 -0.481 1.00 0.00 ATOM 370 O GLY A 50 4.044 21.760 -1.485 1.00 0.00 ATOM 371 C GLY A 50 3.054 22.027 -0.824 1.00 0.00 ATOM 372 N ARG A 51 2.160 21.107 -0.464 1.00 0.00 ATOM 373 CA ARG A 51 2.420 19.671 -0.545 1.00 0.00 ATOM 374 CB ARG A 51 1.563 18.948 0.457 1.00 0.00 ATOM 375 CG ARG A 51 1.935 19.366 1.835 1.00 0.00 ATOM 376 CD ARG A 51 1.203 18.429 2.764 1.00 0.00 ATOM 377 NE ARG A 51 1.591 18.876 4.073 1.00 0.00 ATOM 378 CZ ARG A 51 1.016 18.531 5.211 1.00 0.00 ATOM 379 NH1 ARG A 51 -0.047 17.707 5.275 1.00 0.00 ATOM 380 NH2 ARG A 51 1.589 19.037 6.291 1.00 0.00 ATOM 381 O ARG A 51 3.000 18.261 -2.390 1.00 0.00 ATOM 382 C ARG A 51 2.178 19.020 -1.906 1.00 0.00 ATOM 383 N ILE A 52 1.030 19.276 -2.519 1.00 0.00 ATOM 384 CA ILE A 52 0.717 18.644 -3.794 1.00 0.00 ATOM 385 CB ILE A 52 -0.721 18.961 -4.241 1.00 0.00 ATOM 386 CG1 ILE A 52 -1.729 18.365 -3.256 1.00 0.00 ATOM 387 CG2 ILE A 52 -0.991 18.379 -5.620 1.00 0.00 ATOM 388 CD1 ILE A 52 -3.150 18.841 -3.474 1.00 0.00 ATOM 389 O ILE A 52 2.074 20.328 -4.867 1.00 0.00 ATOM 390 C ILE A 52 1.700 19.149 -4.871 1.00 0.00 ATOM 391 N GLN A 53 2.077 18.261 -5.793 1.00 0.00 ATOM 392 CA GLN A 53 3.022 18.581 -6.870 1.00 0.00 ATOM 393 CB GLN A 53 4.404 17.999 -6.569 1.00 0.00 ATOM 394 CG GLN A 53 5.075 18.595 -5.343 1.00 0.00 ATOM 395 CD GLN A 53 6.464 18.034 -5.108 1.00 0.00 ATOM 396 OE1 GLN A 53 6.964 17.237 -5.901 1.00 0.00 ATOM 397 NE2 GLN A 53 7.092 18.451 -4.015 1.00 0.00 ATOM 398 O GLN A 53 1.877 16.984 -8.272 1.00 0.00 ATOM 399 C GLN A 53 2.561 18.015 -8.208 1.00 0.00 ATOM 400 N ILE A 54 2.988 18.782 -9.291 1.00 0.00 ATOM 401 CA ILE A 54 2.687 18.295 -10.630 1.00 0.00 ATOM 402 CB ILE A 54 3.190 19.271 -11.711 1.00 0.00 ATOM 403 CG1 ILE A 54 2.428 20.594 -11.630 1.00 0.00 ATOM 404 CG2 ILE A 54 2.984 18.680 -13.096 1.00 0.00 ATOM 405 CD1 ILE A 54 3.003 21.684 -12.508 1.00 0.00 ATOM 406 O ILE A 54 4.521 16.764 -10.355 1.00 0.00 ATOM 407 C ILE A 54 3.382 16.948 -10.794 1.00 0.00 ATOM 408 N GLY A 55 2.660 15.970 -11.381 1.00 0.00 ATOM 409 CA GLY A 55 3.224 14.647 -11.565 1.00 0.00 ATOM 410 O GLY A 55 2.874 12.458 -10.696 1.00 0.00 ATOM 411 C GLY A 55 2.778 13.672 -10.490 1.00 0.00 ATOM 412 N ASP A 56 2.267 14.170 -9.358 1.00 0.00 ATOM 413 CA ASP A 56 1.771 13.312 -8.280 1.00 0.00 ATOM 414 CB ASP A 56 1.398 14.172 -7.071 1.00 0.00 ATOM 415 CG ASP A 56 2.613 14.733 -6.358 1.00 0.00 ATOM 416 OD1 ASP A 56 3.741 14.302 -6.678 1.00 0.00 ATOM 417 OD2 ASP A 56 2.437 15.601 -5.478 1.00 0.00 ATOM 418 O ASP A 56 -0.235 12.994 -9.553 1.00 0.00 ATOM 419 C ASP A 56 0.560 12.515 -8.743 1.00 0.00 ATOM 420 N GLN A 57 0.419 11.299 -8.183 1.00 0.00 ATOM 421 CA GLN A 57 -0.733 10.478 -8.515 1.00 0.00 ATOM 422 CB GLN A 57 -0.275 9.013 -8.794 1.00 0.00 ATOM 423 CG GLN A 57 -1.408 8.099 -9.229 1.00 0.00 ATOM 424 CD GLN A 57 -0.946 6.669 -9.456 1.00 0.00 ATOM 425 OE1 GLN A 57 0.196 6.323 -9.155 1.00 0.00 ATOM 426 NE2 GLN A 57 -1.850 5.846 -9.990 1.00 0.00 ATOM 427 O GLN A 57 -1.624 10.408 -6.305 1.00 0.00 ATOM 428 C GLN A 57 -1.862 10.574 -7.492 1.00 0.00 ATOM 429 N ILE A 58 -3.005 10.932 -7.849 1.00 0.00 ATOM 430 CA ILE A 58 -4.073 11.052 -6.876 1.00 0.00 ATOM 431 CB ILE A 58 -5.180 11.994 -7.379 1.00 0.00 ATOM 432 CG1 ILE A 58 -4.560 13.301 -7.870 1.00 0.00 ATOM 433 CG2 ILE A 58 -6.185 12.267 -6.266 1.00 0.00 ATOM 434 CD1 ILE A 58 -5.511 14.161 -8.667 1.00 0.00 ATOM 435 O ILE A 58 -5.246 9.095 -7.585 1.00 0.00 ATOM 436 C ILE A 58 -4.673 9.682 -6.677 1.00 0.00 ATOM 437 N ILE A 59 -4.602 9.209 -5.448 1.00 0.00 ATOM 438 CA ILE A 59 -5.011 7.862 -5.124 1.00 0.00 ATOM 439 CB ILE A 59 -4.064 7.218 -4.094 1.00 0.00 ATOM 440 CG1 ILE A 59 -2.660 7.062 -4.684 1.00 0.00 ATOM 441 CG2 ILE A 59 -4.572 5.843 -3.690 1.00 0.00 ATOM 442 CD1 ILE A 59 -1.613 6.661 -3.669 1.00 0.00 ATOM 443 O ILE A 59 -7.145 6.828 -4.763 1.00 0.00 ATOM 444 C ILE A 59 -6.388 7.768 -4.492 1.00 0.00 ATOM 445 N ALA A 60 -6.782 8.724 -3.701 1.00 0.00 ATOM 446 CA ALA A 60 -8.063 8.726 -3.027 1.00 0.00 ATOM 447 CB ALA A 60 -8.006 7.857 -1.793 1.00 0.00 ATOM 448 O ALA A 60 -7.520 10.935 -2.268 1.00 0.00 ATOM 449 C ALA A 60 -8.418 10.150 -2.631 1.00 0.00 ATOM 450 N VAL A 61 -9.716 10.435 -2.611 1.00 0.00 ATOM 451 CA VAL A 61 -10.221 11.751 -2.206 1.00 0.00 ATOM 452 CB VAL A 61 -10.685 12.575 -3.421 1.00 0.00 ATOM 453 CG1 VAL A 61 -11.212 13.930 -2.976 1.00 0.00 ATOM 454 CG2 VAL A 61 -9.528 12.802 -4.384 1.00 0.00 ATOM 455 O VAL A 61 -12.455 11.030 -1.712 1.00 0.00 ATOM 456 C VAL A 61 -11.417 11.534 -1.286 1.00 0.00 ATOM 457 N ASP A 62 -11.240 11.913 0.001 1.00 0.00 ATOM 458 CA ASP A 62 -12.297 11.727 0.988 1.00 0.00 ATOM 459 CB ASP A 62 -13.372 12.781 0.717 1.00 0.00 ATOM 460 CG ASP A 62 -12.855 14.196 0.880 1.00 0.00 ATOM 461 OD1 ASP A 62 -12.220 14.482 1.916 1.00 0.00 ATOM 462 OD2 ASP A 62 -13.084 15.020 -0.032 1.00 0.00 ATOM 463 O ASP A 62 -14.052 10.106 0.824 1.00 0.00 ATOM 464 C ASP A 62 -12.839 10.308 0.933 1.00 0.00 ATOM 465 N GLY A 63 -11.987 9.222 0.951 1.00 0.00 ATOM 466 CA GLY A 63 -12.413 7.851 0.932 1.00 0.00 ATOM 467 O GLY A 63 -13.012 6.036 -0.524 1.00 0.00 ATOM 468 C GLY A 63 -12.772 7.245 -0.442 1.00 0.00 ATOM 469 N THR A 64 -12.882 8.064 -1.482 1.00 0.00 ATOM 470 CA THR A 64 -13.202 7.581 -2.820 1.00 0.00 ATOM 471 CB THR A 64 -13.964 8.638 -3.641 1.00 0.00 ATOM 472 CG2 THR A 64 -14.256 8.119 -5.040 1.00 0.00 ATOM 473 OG1 THR A 64 -15.204 8.948 -2.992 1.00 0.00 ATOM 474 O THR A 64 -10.984 8.071 -3.618 1.00 0.00 ATOM 475 C THR A 64 -11.881 7.235 -3.513 1.00 0.00 ATOM 476 N ASN A 65 -11.755 5.991 -3.955 1.00 0.00 ATOM 477 CA ASN A 65 -10.558 5.523 -4.649 1.00 0.00 ATOM 478 CB ASN A 65 -10.508 3.992 -4.724 1.00 0.00 ATOM 479 CG ASN A 65 -10.427 3.362 -3.346 1.00 0.00 ATOM 480 ND2 ASN A 65 -11.207 2.336 -3.090 1.00 0.00 ATOM 481 OD1 ASN A 65 -9.596 3.813 -2.535 1.00 0.00 ATOM 482 O ASN A 65 -11.544 6.119 -6.775 1.00 0.00 ATOM 483 C ASN A 65 -10.525 6.059 -6.082 1.00 0.00 ATOM 484 N LEU A 66 -9.334 6.454 -6.509 1.00 0.00 ATOM 485 CA LEU A 66 -9.085 6.812 -7.892 1.00 0.00 ATOM 486 CB LEU A 66 -8.541 8.209 -8.003 1.00 0.00 ATOM 487 CG LEU A 66 -9.282 9.289 -7.200 1.00 0.00 ATOM 488 CD1 LEU A 66 -8.543 10.636 -7.332 1.00 0.00 ATOM 489 CD2 LEU A 66 -10.710 9.417 -7.681 1.00 0.00 ATOM 490 O LEU A 66 -7.474 6.071 -9.495 1.00 0.00 ATOM 491 C LEU A 66 -8.178 5.769 -8.538 1.00 0.00 ATOM 492 N GLN A 67 -8.219 4.548 -8.028 1.00 0.00 ATOM 493 CA GLN A 67 -7.505 3.434 -8.629 1.00 0.00 ATOM 494 CB GLN A 67 -7.499 2.375 -7.651 1.00 0.00 ATOM 495 CG GLN A 67 -6.184 2.719 -6.999 1.00 0.00 ATOM 496 CD GLN A 67 -5.614 1.657 -6.195 1.00 0.00 ATOM 497 OE1 GLN A 67 -5.682 1.694 -4.962 1.00 0.00 ATOM 498 NE2 GLN A 67 -5.000 0.692 -6.865 1.00 0.00 ATOM 499 O GLN A 67 -9.475 2.398 -9.478 1.00 0.00 ATOM 500 C GLN A 67 -8.361 2.851 -9.737 1.00 0.00 ATOM 501 N GLY A 68 -7.837 2.857 -10.961 1.00 0.00 ATOM 502 CA GLY A 68 -8.513 2.268 -12.114 1.00 0.00 ATOM 503 O GLY A 68 -10.907 2.101 -12.426 1.00 0.00 ATOM 504 C GLY A 68 -9.925 2.833 -12.297 1.00 0.00 ATOM 505 N PHE A 69 -10.003 4.153 -12.313 1.00 0.00 ATOM 506 CA PHE A 69 -11.250 4.843 -12.595 1.00 0.00 ATOM 507 CB PHE A 69 -11.608 5.831 -11.479 1.00 0.00 ATOM 508 CG PHE A 69 -12.125 5.153 -10.216 1.00 0.00 ATOM 509 CD1 PHE A 69 -13.502 5.020 -10.040 1.00 0.00 ATOM 510 CD2 PHE A 69 -11.265 4.666 -9.248 1.00 0.00 ATOM 511 CE1 PHE A 69 -13.967 4.393 -8.897 1.00 0.00 ATOM 512 CE2 PHE A 69 -11.751 4.038 -8.120 1.00 0.00 ATOM 513 CZ PHE A 69 -13.110 3.884 -7.952 1.00 0.00 ATOM 514 O PHE A 69 -10.096 5.815 -14.478 1.00 0.00 ATOM 515 C PHE A 69 -11.168 5.642 -13.895 1.00 0.00 ATOM 516 N THR A 70 -12.235 5.914 -14.490 1.00 0.00 ATOM 517 CA THR A 70 -12.257 6.698 -15.707 1.00 0.00 ATOM 518 CB THR A 70 -13.620 6.654 -16.422 1.00 0.00 ATOM 519 CG2 THR A 70 -13.977 5.224 -16.800 1.00 0.00 ATOM 520 OG1 THR A 70 -14.636 7.171 -15.555 1.00 0.00 ATOM 521 O THR A 70 -12.120 8.513 -14.123 1.00 0.00 ATOM 522 C THR A 70 -11.968 8.138 -15.313 1.00 0.00 ATOM 523 N ASN A 71 -11.565 8.945 -16.299 1.00 0.00 ATOM 524 CA ASN A 71 -11.367 10.368 -16.086 1.00 0.00 ATOM 525 CB ASN A 71 -10.956 11.046 -17.373 1.00 0.00 ATOM 526 CG ASN A 71 -10.590 12.494 -17.148 1.00 0.00 ATOM 527 ND2 ASN A 71 -11.104 13.340 -18.018 1.00 0.00 ATOM 528 OD1 ASN A 71 -9.835 12.807 -16.199 1.00 0.00 ATOM 529 O ASN A 71 -12.685 11.871 -14.706 1.00 0.00 ATOM 530 C ASN A 71 -12.678 11.014 -15.597 1.00 0.00 ATOM 531 N GLN A 72 -13.801 10.620 -16.168 1.00 0.00 ATOM 532 CA GLN A 72 -15.090 11.144 -15.731 1.00 0.00 ATOM 533 CB GLN A 72 -16.191 10.596 -16.643 1.00 0.00 ATOM 534 CG GLN A 72 -16.159 11.153 -18.057 1.00 0.00 ATOM 535 CD GLN A 72 -17.190 10.507 -18.961 1.00 0.00 ATOM 536 OE1 GLN A 72 -17.880 9.569 -18.560 1.00 0.00 ATOM 537 NE2 GLN A 72 -17.298 11.007 -20.186 1.00 0.00 ATOM 538 O GLN A 72 -15.976 11.625 -13.530 1.00 0.00 ATOM 539 C GLN A 72 -15.437 10.786 -14.274 1.00 0.00 ATOM 540 N GLN A 73 -15.113 9.565 -13.870 1.00 0.00 ATOM 541 CA GLN A 73 -15.329 9.148 -12.474 1.00 0.00 ATOM 542 CB GLN A 73 -14.944 7.690 -12.204 1.00 0.00 ATOM 543 CG GLN A 73 -15.746 6.601 -12.895 1.00 0.00 ATOM 544 CD GLN A 73 -17.130 6.490 -12.380 1.00 0.00 ATOM 545 OE1 GLN A 73 -17.387 6.483 -11.135 1.00 0.00 ATOM 546 NE2 GLN A 73 -18.075 6.462 -13.330 1.00 0.00 ATOM 547 O GLN A 73 -14.931 10.436 -10.482 1.00 0.00 ATOM 548 C GLN A 73 -14.479 10.010 -11.552 1.00 0.00 ATOM 549 N ALA A 74 -13.208 10.265 -11.947 1.00 0.00 ATOM 550 CA ALA A 74 -12.321 11.120 -11.155 1.00 0.00 ATOM 551 CB ALA A 74 -10.935 11.129 -11.700 1.00 0.00 ATOM 552 O ALA A 74 -12.760 13.190 -10.013 1.00 0.00 ATOM 553 C ALA A 74 -12.801 12.568 -11.073 1.00 0.00 ATOM 554 N VAL A 75 -13.267 13.071 -12.190 1.00 0.00 ATOM 555 CA VAL A 75 -13.795 14.431 -12.229 1.00 0.00 ATOM 556 CB VAL A 75 -14.210 14.815 -13.660 1.00 0.00 ATOM 557 CG1 VAL A 75 -14.893 16.174 -13.672 1.00 0.00 ATOM 558 CG2 VAL A 75 -12.990 14.883 -14.568 1.00 0.00 ATOM 559 O VAL A 75 -15.104 15.618 -10.612 1.00 0.00 ATOM 560 C VAL A 75 -15.020 14.618 -11.331 1.00 0.00 ATOM 561 N GLU A 76 -15.948 13.659 -11.393 1.00 0.00 ATOM 562 CA GLU A 76 -17.144 13.655 -10.533 1.00 0.00 ATOM 563 CB GLU A 76 -18.006 12.425 -10.821 1.00 0.00 ATOM 564 CG GLU A 76 -18.716 12.465 -12.164 1.00 0.00 ATOM 565 CD GLU A 76 -19.460 11.179 -12.469 1.00 0.00 ATOM 566 OE1 GLU A 76 -19.359 10.230 -11.665 1.00 0.00 ATOM 567 OE2 GLU A 76 -20.144 11.122 -13.514 1.00 0.00 ATOM 568 O GLU A 76 -17.326 14.319 -8.217 1.00 0.00 ATOM 569 C GLU A 76 -16.727 13.623 -9.058 1.00 0.00 ATOM 570 N VAL A 77 -15.721 12.825 -8.744 1.00 0.00 ATOM 571 CA VAL A 77 -15.236 12.783 -7.347 1.00 0.00 ATOM 572 CB VAL A 77 -14.076 11.778 -7.215 1.00 0.00 ATOM 573 CG1 VAL A 77 -13.389 11.931 -5.868 1.00 0.00 ATOM 574 CG2 VAL A 77 -14.591 10.352 -7.334 1.00 0.00 ATOM 575 O VAL A 77 -14.976 14.657 -5.830 1.00 0.00 ATOM 576 C VAL A 77 -14.691 14.168 -6.934 1.00 0.00 ATOM 577 N LEU A 78 -13.912 14.799 -7.811 1.00 0.00 ATOM 578 CA LEU A 78 -13.368 16.131 -7.521 1.00 0.00 ATOM 579 CB LEU A 78 -12.381 16.564 -8.552 1.00 0.00 ATOM 580 CG LEU A 78 -11.720 17.924 -8.359 1.00 0.00 ATOM 581 CD1 LEU A 78 -11.042 17.997 -7.003 1.00 0.00 ATOM 582 CD2 LEU A 78 -10.714 18.136 -9.466 1.00 0.00 ATOM 583 O LEU A 78 -14.542 17.957 -6.489 1.00 0.00 ATOM 584 C LEU A 78 -14.490 17.157 -7.434 1.00 0.00 ATOM 585 N ARG A 79 -15.440 17.124 -8.346 1.00 0.00 ATOM 586 CA ARG A 79 -16.570 18.058 -8.297 1.00 0.00 ATOM 587 CB ARG A 79 -17.467 17.868 -9.521 1.00 0.00 ATOM 588 CG ARG A 79 -16.846 18.342 -10.824 1.00 0.00 ATOM 589 CD ARG A 79 -17.758 18.052 -12.007 1.00 0.00 ATOM 590 NE ARG A 79 -17.173 18.497 -13.270 1.00 0.00 ATOM 591 CZ ARG A 79 -17.725 18.295 -14.461 1.00 0.00 ATOM 592 NH1 ARG A 79 -17.121 18.736 -15.557 1.00 0.00 ATOM 593 NH2 ARG A 79 -18.880 17.653 -14.556 1.00 0.00 ATOM 594 O ARG A 79 -18.052 18.777 -6.557 1.00 0.00 ATOM 595 C ARG A 79 -17.477 17.832 -7.091 1.00 0.00 ATOM 596 N HIS A 80 -17.644 16.572 -6.617 1.00 0.00 ATOM 597 CA HIS A 80 -18.479 16.269 -5.458 1.00 0.00 ATOM 598 CB HIS A 80 -18.547 14.753 -5.261 1.00 0.00 ATOM 599 CG HIS A 80 -19.349 14.043 -6.308 1.00 0.00 ATOM 600 CD2 HIS A 80 -20.130 14.446 -7.467 1.00 0.00 ATOM 601 ND1 HIS A 80 -19.489 12.672 -6.334 1.00 0.00 ATOM 602 CE1 HIS A 80 -20.260 12.332 -7.384 1.00 0.00 ATOM 603 NE2 HIS A 80 -20.648 13.391 -8.068 1.00 0.00 ATOM 604 O HIS A 80 -18.711 16.844 -3.135 1.00 0.00 ATOM 605 C HIS A 80 -17.993 16.868 -4.125 1.00 0.00 ATOM 606 N THR A 81 -16.806 17.452 -4.110 1.00 0.00 ATOM 607 CA THR A 81 -16.179 17.873 -2.864 1.00 0.00 ATOM 608 CB THR A 81 -14.665 18.093 -3.039 1.00 0.00 ATOM 609 CG2 THR A 81 -13.996 16.816 -3.528 1.00 0.00 ATOM 610 OG1 THR A 81 -14.438 19.131 -3.999 1.00 0.00 ATOM 611 O THR A 81 -17.129 20.082 -3.071 1.00 0.00 ATOM 612 C THR A 81 -16.717 19.192 -2.316 1.00 0.00 ATOM 613 N GLY A 82 -16.715 19.307 -0.995 1.00 0.00 ATOM 614 CA GLY A 82 -16.996 20.571 -0.333 1.00 0.00 ATOM 615 O GLY A 82 -14.669 21.111 -0.686 1.00 0.00 ATOM 616 C GLY A 82 -15.672 21.255 0.033 1.00 0.00 ATOM 617 N GLN A 83 -15.663 22.002 1.123 1.00 0.00 ATOM 618 CA GLN A 83 -14.591 22.926 1.441 1.00 0.00 ATOM 619 CB GLN A 83 -14.988 23.855 2.592 1.00 0.00 ATOM 620 CG GLN A 83 -16.036 24.890 2.221 1.00 0.00 ATOM 621 CD GLN A 83 -16.484 25.717 3.410 1.00 0.00 ATOM 622 OE1 GLN A 83 -16.086 25.456 4.545 1.00 0.00 ATOM 623 NE2 GLN A 83 -17.316 26.720 3.151 1.00 0.00 ATOM 624 O GLN A 83 -12.229 22.645 1.473 1.00 0.00 ATOM 625 C GLN A 83 -13.310 22.213 1.872 1.00 0.00 ATOM 626 N THR A 84 -13.415 21.177 2.709 1.00 0.00 ATOM 627 CA THR A 84 -12.242 20.488 3.251 1.00 0.00 ATOM 628 CB THR A 84 -12.414 20.182 4.750 1.00 0.00 ATOM 629 CG2 THR A 84 -11.192 19.454 5.290 1.00 0.00 ATOM 630 OG1 THR A 84 -12.582 21.407 5.475 1.00 0.00 ATOM 631 O THR A 84 -12.929 18.312 2.517 1.00 0.00 ATOM 632 C THR A 84 -12.045 19.171 2.511 1.00 0.00 ATOM 633 N VAL A 85 -10.881 19.003 1.881 1.00 0.00 ATOM 634 CA VAL A 85 -10.633 17.822 1.043 1.00 0.00 ATOM 635 CB VAL A 85 -10.495 18.216 -0.440 1.00 0.00 ATOM 636 CG1 VAL A 85 -10.208 16.989 -1.293 1.00 0.00 ATOM 637 CG2 VAL A 85 -11.778 18.862 -0.941 1.00 0.00 ATOM 638 O VAL A 85 -8.284 17.720 1.507 1.00 0.00 ATOM 639 C VAL A 85 -9.346 17.111 1.455 1.00 0.00 ATOM 640 N LEU A 86 -9.460 15.817 1.729 1.00 0.00 ATOM 641 CA LEU A 86 -8.327 14.970 2.098 1.00 0.00 ATOM 642 CB LEU A 86 -8.722 14.009 3.220 1.00 0.00 ATOM 643 CG LEU A 86 -7.644 13.023 3.679 1.00 0.00 ATOM 644 CD1 LEU A 86 -6.475 13.762 4.310 1.00 0.00 ATOM 645 CD2 LEU A 86 -8.206 12.054 4.708 1.00 0.00 ATOM 646 O LEU A 86 -8.661 13.325 0.389 1.00 0.00 ATOM 647 C LEU A 86 -7.889 14.150 0.898 1.00 0.00 ATOM 648 N LEU A 87 -6.675 14.422 0.437 1.00 0.00 ATOM 649 CA LEU A 87 -6.094 13.749 -0.725 1.00 0.00 ATOM 650 CB LEU A 87 -5.503 14.786 -1.681 1.00 0.00 ATOM 651 CG LEU A 87 -6.476 15.827 -2.238 1.00 0.00 ATOM 652 CD1 LEU A 87 -5.742 16.842 -3.102 1.00 0.00 ATOM 653 CD2 LEU A 87 -7.545 15.162 -3.091 1.00 0.00 ATOM 654 O LEU A 87 -4.150 13.135 0.549 1.00 0.00 ATOM 655 C LEU A 87 -5.013 12.786 -0.267 1.00 0.00 ATOM 656 N THR A 88 -5.072 11.568 -0.796 1.00 0.00 ATOM 657 CA THR A 88 -4.006 10.603 -0.654 1.00 0.00 ATOM 658 CB THR A 88 -4.549 9.182 -0.420 1.00 0.00 ATOM 659 CG2 THR A 88 -3.404 8.186 -0.311 1.00 0.00 ATOM 660 OG1 THR A 88 -5.306 9.152 0.796 1.00 0.00 ATOM 661 O THR A 88 -3.831 10.481 -3.046 1.00 0.00 ATOM 662 C THR A 88 -3.236 10.664 -1.964 1.00 0.00 ATOM 663 N LEU A 89 -1.940 10.944 -1.863 1.00 0.00 ATOM 664 CA LEU A 89 -1.128 11.298 -3.029 1.00 0.00 ATOM 665 CB LEU A 89 -0.645 12.746 -2.925 1.00 0.00 ATOM 666 CG LEU A 89 -1.732 13.824 -2.918 1.00 0.00 ATOM 667 CD1 LEU A 89 -1.132 15.191 -2.627 1.00 0.00 ATOM 668 CD2 LEU A 89 -2.433 13.891 -4.265 1.00 0.00 ATOM 669 O LEU A 89 0.796 10.170 -2.117 1.00 0.00 ATOM 670 C LEU A 89 0.115 10.395 -3.116 1.00 0.00 ATOM 671 N MET A 90 0.413 9.915 -4.315 1.00 0.00 ATOM 672 CA MET A 90 1.635 9.144 -4.550 1.00 0.00 ATOM 673 CB MET A 90 1.571 8.017 -5.233 1.00 0.00 ATOM 674 CG MET A 90 1.778 7.024 -4.065 1.00 0.00 ATOM 675 SD MET A 90 1.248 5.276 -4.319 1.00 0.00 ATOM 676 CE MET A 90 1.384 5.204 -6.046 1.00 0.00 ATOM 677 O MET A 90 2.393 10.596 -6.279 1.00 0.00 ATOM 678 C MET A 90 2.642 10.059 -5.194 1.00 0.00 ATOM 679 N ARG A 91 3.748 10.294 -4.492 1.00 0.00 ATOM 680 CA ARG A 91 4.818 11.150 -4.992 1.00 0.00 ATOM 681 CB ARG A 91 5.428 11.978 -3.861 1.00 0.00 ATOM 682 CG ARG A 91 6.497 12.959 -4.315 1.00 0.00 ATOM 683 CD ARG A 91 7.035 13.771 -3.149 1.00 0.00 ATOM 684 NE ARG A 91 8.089 14.693 -3.563 1.00 0.00 ATOM 685 CZ ARG A 91 8.915 15.310 -2.724 1.00 0.00 ATOM 686 NH1 ARG A 91 9.845 16.131 -3.192 1.00 0.00 ATOM 687 NH2 ARG A 91 8.809 15.104 -1.417 1.00 0.00 ATOM 688 O ARG A 91 6.364 9.357 -4.999 1.00 0.00 ATOM 689 C ARG A 91 5.912 10.314 -5.629 1.00 0.00 ATOM 690 N ARG A 92 6.336 10.619 -6.903 1.00 0.00 ATOM 691 CA ARG A 92 7.384 9.807 -7.485 1.00 0.00 ATOM 692 CB ARG A 92 7.453 10.120 -9.003 1.00 0.00 ATOM 693 CG ARG A 92 8.562 9.302 -9.690 1.00 0.00 ATOM 694 CD ARG A 92 8.541 9.674 -11.164 1.00 0.00 ATOM 695 NE ARG A 92 9.657 9.151 -11.937 1.00 0.00 ATOM 696 CZ ARG A 92 9.558 8.075 -12.720 1.00 0.00 ATOM 697 NH1 ARG A 92 8.426 7.395 -12.836 1.00 0.00 ATOM 698 NH2 ARG A 92 10.626 7.701 -13.429 1.00 0.00 ATOM 699 O ARG A 92 9.062 11.264 -6.570 1.00 0.00 ATOM 700 C ARG A 92 8.685 10.096 -6.744 1.00 0.00 ATOM 701 N GLY A 93 9.337 9.058 -6.258 1.00 0.00 ATOM 702 CA GLY A 93 10.578 9.245 -5.527 1.00 0.00 ATOM 703 O GLY A 93 11.659 7.551 -6.813 1.00 0.00 ATOM 704 C GLY A 93 11.776 8.560 -6.130 1.00 0.00 ATOM 705 N GLU A 94 13.074 9.042 -5.837 1.00 0.00 ATOM 706 CA GLU A 94 14.291 8.485 -6.443 1.00 0.00 ATOM 707 CB GLU A 94 15.316 9.649 -6.790 1.00 0.00 ATOM 708 CG GLU A 94 14.690 10.789 -7.675 1.00 0.00 ATOM 709 CD GLU A 94 14.686 10.556 -9.160 1.00 0.00 ATOM 710 OE1 GLU A 94 14.404 9.325 -9.484 1.00 0.00 ATOM 711 OE2 GLU A 94 14.525 11.460 -9.965 1.00 0.00 ATOM 712 O GLU A 94 15.696 6.636 -6.257 1.00 0.00 ATOM 713 C GLU A 94 15.023 7.442 -5.646 1.00 0.00 ATOM 714 N THR A 95 14.922 7.465 -4.332 1.00 0.00 ATOM 715 CA THR A 95 15.695 6.592 -3.491 1.00 0.00 ATOM 716 CB THR A 95 15.674 7.179 -2.102 1.00 0.00 ATOM 717 CG2 THR A 95 16.339 8.544 -2.225 1.00 0.00 ATOM 718 OG1 THR A 95 14.302 7.373 -1.858 1.00 0.00 ATOM 719 O THR A 95 16.467 4.340 -3.450 1.00 0.00 ATOM 720 C THR A 95 15.498 5.091 -3.546 1.00 0.00 ATOM 721 N SER A 96 14.298 4.652 -3.726 1.00 0.00 ATOM 722 CA SER A 96 14.029 3.222 -3.811 1.00 0.00 ATOM 723 CB SER A 96 13.867 2.577 -2.462 1.00 0.00 ATOM 724 OG SER A 96 12.738 3.048 -1.763 1.00 0.00 ATOM 725 O SER A 96 11.933 3.918 -4.794 1.00 0.00 ATOM 726 C SER A 96 12.780 3.043 -4.660 1.00 0.00 ATOM 727 N VAL A 97 12.729 1.807 -5.200 1.00 0.00 ATOM 728 CA VAL A 97 11.551 1.403 -6.005 1.00 0.00 ATOM 729 CB VAL A 97 11.877 0.093 -6.746 1.00 0.00 ATOM 730 CG1 VAL A 97 10.657 -0.492 -7.433 1.00 0.00 ATOM 731 CG2 VAL A 97 12.849 0.405 -7.870 1.00 0.00 ATOM 732 O VAL A 97 9.187 1.496 -5.512 1.00 0.00 ATOM 733 C VAL A 97 10.345 1.212 -5.115 1.00 0.00 ENDMDL EXPDTA 2iwnA MODEL 2 REMARK 44 REMARK 44 model 2 is called 2iwnA ATOM 1 N SER 1 11.924 -0.433 -7.184 1.00 0.00 ATOM 2 CA SER 1 10.768 0.504 -7.132 1.00 0.00 ATOM 3 CB SER 1 9.451 -0.258 -7.172 1.00 0.00 ATOM 4 OG SER 1 9.380 -1.083 -8.321 1.00 0.00 ATOM 5 O SER 1 11.321 0.893 -4.844 1.00 0.00 ATOM 6 C SER 1 10.834 1.344 -5.876 1.00 0.00 ATOM 7 N MET 2 10.337 2.571 -5.978 1.00 0.00 ATOM 8 CA MET 2 10.273 3.486 -4.854 1.00 0.00 ATOM 9 CB MET 2 11.615 4.200 -4.639 1.00 0.00 ATOM 10 CG MET 2 11.606 5.182 -3.478 1.00 0.00 ATOM 11 SD MET 2 11.066 6.843 -3.926 1.00 0.00 ATOM 12 CE MET 2 12.596 7.531 -4.545 1.00 0.00 ATOM 13 O MET 2 8.993 5.019 -6.200 1.00 0.00 ATOM 14 C MET 2 9.165 4.501 -5.088 1.00 0.00 ATOM 15 N SER 3 8.422 4.787 -4.028 1.00 0.00 ATOM 16 CA SER 3 7.408 5.817 -4.069 1.00 0.00 ATOM 17 CB SER 3 6.086 5.239 -4.566 1.00 0.00 ATOM 18 OG SER 3 5.597 4.248 -3.684 1.00 0.00 ATOM 19 O SER 3 7.627 5.863 -1.691 1.00 0.00 ATOM 20 C SER 3 7.209 6.425 -2.700 1.00 0.00 ATOM 21 N GLU 4 6.588 7.599 -2.700 1.00 0.00 ATOM 22 CA GLU 4 6.141 8.236 -1.475 1.00 0.00 ATOM 23 CB GLU 4 6.811 9.596 -1.283 1.00 0.00 ATOM 24 CG GLU 4 8.300 9.494 -0.999 1.00 0.00 ATOM 25 CD GLU 4 8.931 10.812 -0.597 1.00 0.00 ATOM 26 OE1 GLU 4 8.357 11.878 -0.903 1.00 0.00 ATOM 27 OE2 GLU 4 10.011 10.775 0.027 1.00 0.00 ATOM 28 O GLU 4 4.096 8.765 -2.584 1.00 0.00 ATOM 29 C GLU 4 4.635 8.388 -1.552 1.00 0.00 ATOM 30 N THR 5 3.961 8.053 -0.454 1.00 0.00 ATOM 31 CA THR 5 2.521 8.240 -0.330 1.00 0.00 ATOM 32 CB THR 5 1.805 6.905 -0.066 1.00 0.00 ATOM 33 CG2 THR 5 0.311 7.113 0.189 1.00 0.00 ATOM 34 OG1 THR 5 1.984 6.044 -1.202 1.00 0.00 ATOM 35 O THR 5 2.911 9.100 1.889 1.00 0.00 ATOM 36 C THR 5 2.296 9.220 0.820 1.00 0.00 ATOM 37 N PHE 6 1.432 10.204 0.600 1.00 0.00 ATOM 38 CA PHE 6 1.173 11.223 1.610 1.00 0.00 ATOM 39 CB PHE 6 2.194 12.369 1.535 1.00 0.00 ATOM 40 CG PHE 6 2.154 13.158 0.250 1.00 0.00 ATOM 41 CD1 PHE 6 1.491 14.375 0.185 1.00 0.00 ATOM 42 CD2 PHE 6 2.798 12.694 -0.891 1.00 0.00 ATOM 43 CE1 PHE 6 1.459 15.102 -0.995 1.00 0.00 ATOM 44 CE2 PHE 6 2.768 13.426 -2.071 1.00 0.00 ATOM 45 CZ PHE 6 2.098 14.631 -2.118 1.00 0.00 ATOM 46 O PHE 6 -0.819 11.672 0.379 1.00 0.00 ATOM 47 C PHE 6 -0.227 11.760 1.456 1.00 0.00 ATOM 48 N ASP 7 -0.769 12.322 2.529 1.00 0.00 ATOM 49 CA ASP 7 -2.066 12.960 2.414 1.00 0.00 ATOM 50 CB ASP 7 -3.163 12.194 3.158 1.00 0.00 ATOM 51 CG ASP 7 -2.843 11.956 4.602 1.00 0.00 ATOM 52 OD1 ASP 7 -2.083 12.745 5.187 1.00 0.00 ATOM 53 OD2 ASP 7 -3.367 10.968 5.153 1.00 0.00 ATOM 54 O ASP 7 -1.102 14.915 3.417 1.00 0.00 ATOM 55 C ASP 7 -2.031 14.437 2.775 1.00 0.00 ATOM 56 N VAL 8 -3.048 15.147 2.303 1.00 0.00 ATOM 57 CA VAL 8 -3.124 16.600 2.408 1.00 0.00 ATOM 58 CB VAL 8 -2.638 17.286 1.107 1.00 0.00 ATOM 59 CG1 VAL 8 -2.674 18.800 1.242 1.00 0.00 ATOM 60 CG2 VAL 8 -1.237 16.828 0.736 1.00 0.00 ATOM 61 O VAL 8 -5.430 16.683 1.802 1.00 0.00 ATOM 62 C VAL 8 -4.579 16.980 2.639 1.00 0.00 ATOM 63 N GLU 9 -4.868 17.612 3.774 1.00 0.00 ATOM 64 CA GLU 9 -6.201 18.157 4.034 1.00 0.00 ATOM 65 CB GLU 9 -6.504 18.154 5.534 1.00 0.00 ATOM 66 CG GLU 9 -7.943 18.503 5.875 1.00 0.00 ATOM 67 CD GLU 9 -8.908 17.396 5.515 1.00 0.00 ATOM 68 OE1 GLU 9 -8.759 16.276 6.050 1.00 0.00 ATOM 69 OE2 GLU 9 -9.822 17.644 4.700 1.00 0.00 ATOM 70 O GLU 9 -5.420 20.419 3.883 1.00 0.00 ATOM 71 C GLU 9 -6.246 19.588 3.504 1.00 0.00 ATOM 72 N LEU 10 -7.200 19.856 2.620 1.00 0.00 ATOM 73 CA LEU 10 -7.292 21.129 1.924 1.00 0.00 ATOM 74 CB LEU 10 -6.981 20.937 0.435 1.00 0.00 ATOM 75 CG LEU 10 -5.558 20.495 0.078 1.00 0.00 ATOM 76 CD1 LEU 10 -5.519 19.844 -1.294 1.00 0.00 ATOM 77 CD2 LEU 10 -4.605 21.676 0.144 1.00 0.00 ATOM 78 O LEU 10 -9.667 20.947 2.046 1.00 0.00 ATOM 79 C LEU 10 -8.692 21.691 2.047 1.00 0.00 ATOM 80 N THR 11 -8.775 23.012 2.135 1.00 0.00 ATOM 81 CA THR 11 -10.050 23.706 2.108 1.00 0.00 ATOM 82 CB THR 11 -10.297 24.498 3.399 1.00 0.00 ATOM 83 CG2 THR 11 -11.615 25.243 3.324 1.00 0.00 ATOM 84 OG1 THR 11 -10.316 23.598 4.515 1.00 0.00 ATOM 85 O THR 11 -9.146 25.458 0.735 1.00 0.00 ATOM 86 C THR 11 -10.046 24.625 0.898 1.00 0.00 ATOM 87 N LYS 12 -11.041 24.452 0.037 1.00 0.00 ATOM 88 CA LYS 12 -11.154 25.260 -1.165 1.00 0.00 ATOM 89 CB LYS 12 -12.294 24.757 -2.048 1.00 0.00 ATOM 90 CG LYS 12 -12.128 23.347 -2.562 1.00 0.00 ATOM 91 CD LYS 12 -13.359 22.914 -3.353 1.00 0.00 ATOM 92 CE LYS 12 -13.279 21.459 -3.766 1.00 0.00 ATOM 93 NZ LYS 12 -14.528 20.997 -4.433 1.00 0.00 ATOM 94 O LYS 12 -12.014 27.061 0.187 1.00 0.00 ATOM 95 C LYS 12 -11.422 26.726 -0.847 1.00 0.00 ATOM 96 N ASN 13 -11.000 27.592 -1.764 1.00 0.00 ATOM 97 CA ASN 13 -11.445 28.982 -1.785 1.00 0.00 ATOM 98 CB ASN 13 -10.275 29.933 -1.493 1.00 0.00 ATOM 99 CG ASN 13 -9.244 29.980 -2.606 1.00 0.00 ATOM 100 ND2 ASN 13 -8.190 30.754 -2.394 1.00 0.00 ATOM 101 OD1 ASN 13 -9.392 29.341 -3.640 1.00 0.00 ATOM 102 O ASN 13 -12.636 28.302 -3.740 1.00 0.00 ATOM 103 C ASN 13 -12.163 29.248 -3.113 1.00 0.00 ATOM 104 N VAL 14 -12.279 30.511 -3.530 1.00 0.00 ATOM 105 CA VAL 14 -12.944 30.844 -4.805 1.00 0.00 ATOM 106 CB VAL 14 -12.868 32.353 -5.132 1.00 0.00 ATOM 107 CG1 VAL 14 -13.717 33.136 -4.178 1.00 0.00 ATOM 108 CG2 VAL 14 -11.421 32.854 -5.130 1.00 0.00 ATOM 109 O VAL 14 -13.125 29.826 -6.970 1.00 0.00 ATOM 110 C VAL 14 -12.396 30.096 -6.011 1.00 0.00 ATOM 111 N GLN 15 -11.111 29.770 -5.969 1.00 0.00 ATOM 112 CA GLN 15 -10.474 29.068 -7.071 1.00 0.00 ATOM 113 CB GLN 15 -9.017 29.508 -7.179 1.00 0.00 ATOM 114 CG GLN 15 -8.827 31.005 -7.351 1.00 0.00 ATOM 115 O GLN 15 -9.892 26.827 -7.677 1.00 0.00 ATOM 116 C GLN 15 -10.547 27.548 -6.927 1.00 0.00 ATOM 117 N GLY 16 -11.334 27.059 -5.969 1.00 0.00 ATOM 118 CA GLY 16 -11.395 25.631 -5.688 1.00 0.00 ATOM 119 O GLY 16 -9.635 25.903 -4.100 1.00 0.00 ATOM 120 C GLY 16 -10.146 25.181 -4.958 1.00 0.00 ATOM 121 N LEU 17 -9.656 23.988 -5.292 1.00 0.00 ATOM 122 CA LEU 17 -8.381 23.515 -4.760 1.00 0.00 ATOM 123 CB LEU 17 -8.258 22.000 -4.895 1.00 0.00 ATOM 124 CG LEU 17 -9.266 21.168 -4.105 1.00 0.00 ATOM 125 CD1 LEU 17 -9.135 19.701 -4.479 1.00 0.00 ATOM 126 CD2 LEU 17 -9.070 21.356 -2.607 1.00 0.00 ATOM 127 O LEU 17 -6.195 24.503 -4.901 1.00 0.00 ATOM 128 C LEU 17 -7.223 24.177 -5.498 1.00 0.00 ATOM 129 N GLY 18 -7.392 24.344 -6.807 1.00 0.00 ATOM 130 CA GLY 18 -6.373 24.942 -7.661 1.00 0.00 ATOM 131 O GLY 18 -4.293 24.242 -8.599 1.00 0.00 ATOM 132 C GLY 18 -5.459 23.944 -8.344 1.00 0.00 ATOM 133 N ILE 19 -5.991 22.770 -8.667 1.00 0.00 ATOM 134 CA ILE 19 -5.245 21.782 -9.428 1.00 0.00 ATOM 135 CB ILE 19 -4.849 20.524 -8.604 1.00 0.00 ATOM 136 CG1 ILE 19 -6.036 19.955 -7.822 1.00 0.00 ATOM 137 CG2 ILE 19 -3.692 20.849 -7.676 1.00 0.00 ATOM 138 CD1 ILE 19 -5.727 18.619 -7.143 1.00 0.00 ATOM 139 O ILE 19 -7.248 21.209 -10.614 1.00 0.00 ATOM 140 C ILE 19 -6.022 21.336 -10.648 1.00 0.00 ATOM 141 N THR 20 -5.280 21.104 -11.725 1.00 0.00 ATOM 142 CA THR 20 -5.792 20.442 -12.900 1.00 0.00 ATOM 143 CB THR 20 -5.365 21.172 -14.166 1.00 0.00 ATOM 144 CG2 THR 20 -5.832 20.434 -15.407 1.00 0.00 ATOM 145 OG1 THR 20 -5.929 22.485 -14.134 1.00 0.00 ATOM 146 O THR 20 -4.054 18.822 -12.657 1.00 0.00 ATOM 147 C THR 20 -5.244 19.026 -12.866 1.00 0.00 ATOM 148 N ILE 21 -6.140 18.061 -13.039 1.00 0.00 ATOM 149 CA ILE 21 -5.827 16.649 -12.908 1.00 0.00 ATOM 150 CB ILE 21 -6.504 16.025 -11.672 1.00 0.00 ATOM 151 CG1 ILE 21 -8.031 16.171 -11.742 1.00 0.00 ATOM 152 CG2 ILE 21 -5.963 16.676 -10.406 1.00 0.00 ATOM 153 CD1 ILE 21 -8.758 15.481 -10.619 1.00 0.00 ATOM 154 O ILE 21 -7.279 16.297 -14.769 1.00 0.00 ATOM 155 C ILE 21 -6.268 15.930 -14.181 1.00 0.00 ATOM 156 N ALA 22 -5.512 14.927 -14.616 1.00 0.00 ATOM 157 CA ALA 22 -5.833 14.221 -15.854 1.00 0.00 ATOM 158 CB ALA 22 -5.241 14.945 -17.066 1.00 0.00 ATOM 159 O ALA 22 -4.363 12.452 -15.178 1.00 0.00 ATOM 160 C ALA 22 -5.354 12.788 -15.837 1.00 0.00 ATOM 161 N GLY 23 -6.068 11.958 -16.590 1.00 0.00 ATOM 162 CA GLY 23 -5.658 10.591 -16.867 1.00 0.00 ATOM 163 O GLY 23 -6.904 10.897 -18.880 1.00 0.00 ATOM 164 C GLY 23 -6.050 10.234 -18.286 1.00 0.00 ATOM 165 N TYR 24 -5.429 9.190 -18.829 1.00 0.00 ATOM 166 CA TYR 24 -5.776 8.715 -20.159 1.00 0.00 ATOM 167 CB TYR 24 -4.863 7.561 -20.594 1.00 0.00 ATOM 168 CG TYR 24 -5.400 6.827 -21.809 1.00 0.00 ATOM 169 CD1 TYR 24 -5.119 7.272 -23.099 1.00 0.00 ATOM 170 CD2 TYR 24 -6.226 5.712 -21.665 1.00 0.00 ATOM 171 CE1 TYR 24 -5.630 6.611 -24.218 1.00 0.00 ATOM 172 CE2 TYR 24 -6.744 5.048 -22.776 1.00 0.00 ATOM 173 CZ TYR 24 -6.440 5.501 -24.045 1.00 0.00 ATOM 174 OH TYR 24 -6.953 4.843 -25.141 1.00 0.00 ATOM 175 O TYR 24 -7.661 7.534 -19.282 1.00 0.00 ATOM 176 C TYR 24 -7.223 8.236 -20.184 1.00 0.00 ATOM 177 N ILE 25 -7.968 8.624 -21.213 1.00 0.00 ATOM 178 CA ILE 25 -9.292 8.047 -21.447 1.00 0.00 ATOM 179 CB ILE 25 -10.464 9.013 -21.116 1.00 0.00 ATOM 180 CG1 ILE 25 -10.345 10.323 -21.888 1.00 0.00 ATOM 181 CG2 ILE 25 -10.540 9.299 -19.620 1.00 0.00 ATOM 182 CD1 ILE 25 -11.634 11.100 -21.907 1.00 0.00 ATOM 183 O ILE 25 -8.728 8.147 -23.781 1.00 0.00 ATOM 184 C ILE 25 -9.385 7.588 -22.894 1.00 0.00 ATOM 185 N GLY 26 -10.203 6.568 -23.122 1.00 0.00 ATOM 186 CA GLY 26 -10.372 5.998 -24.454 1.00 0.00 ATOM 187 O GLY 26 -10.897 3.963 -23.304 1.00 0.00 ATOM 188 C GLY 26 -10.677 4.517 -24.388 1.00 0.00 ATOM 189 N ASP 27 -10.673 3.875 -25.554 1.00 0.00 ATOM 190 CA ASP 27 -11.022 2.464 -25.669 1.00 0.00 ATOM 191 CB ASP 27 -11.528 2.158 -27.081 1.00 0.00 ATOM 192 O ASP 27 -9.987 0.384 -25.067 1.00 0.00 ATOM 193 C ASP 27 -9.827 1.576 -25.338 1.00 0.00 ATOM 194 N PRO 32 0.068 0.528 -16.731 1.00 0.00 ATOM 195 CA PRO 32 -0.579 1.239 -15.631 1.00 0.00 ATOM 196 CB PRO 32 0.598 1.866 -14.884 1.00 0.00 ATOM 197 CG PRO 32 1.628 2.067 -15.912 1.00 0.00 ATOM 198 CD PRO 32 1.476 0.927 -16.891 1.00 0.00 ATOM 199 O PRO 32 -1.539 2.664 -17.297 1.00 0.00 ATOM 200 C PRO 32 -1.537 2.320 -16.115 1.00 0.00 ATOM 201 N SER 33 -2.329 2.852 -15.190 1.00 0.00 ATOM 202 CA SER 33 -3.354 3.850 -15.493 1.00 0.00 ATOM 203 CB SER 33 -4.734 3.195 -15.427 1.00 0.00 ATOM 204 OG SER 33 -5.718 4.033 -15.988 1.00 0.00 ATOM 205 O SER 33 -2.104 5.371 -14.133 1.00 0.00 ATOM 206 C SER 33 -3.230 5.018 -14.489 1.00 0.00 ATOM 207 N GLY 34 -4.340 5.632 -14.057 1.00 0.00 ATOM 208 CA GLY 34 -4.322 6.619 -12.967 1.00 0.00 ATOM 209 O GLY 34 -4.481 8.408 -14.562 1.00 0.00 ATOM 210 C GLY 34 -4.588 8.058 -13.382 1.00 0.00 ATOM 211 N ILE 35 -4.920 8.896 -12.394 1.00 0.00 ATOM 212 CA ILE 35 -5.082 10.329 -12.604 1.00 0.00 ATOM 213 CB ILE 35 -6.508 10.835 -12.242 1.00 0.00 ATOM 214 CG1 ILE 35 -6.885 10.501 -10.797 1.00 0.00 ATOM 215 CG2 ILE 35 -7.541 10.270 -13.223 1.00 0.00 ATOM 216 CD1 ILE 35 -8.040 11.340 -10.260 1.00 0.00 ATOM 217 O ILE 35 -3.645 10.733 -10.721 1.00 0.00 ATOM 218 C ILE 35 -3.990 11.086 -11.843 1.00 0.00 ATOM 219 N PHE 36 -3.450 12.119 -12.489 1.00 0.00 ATOM 220 CA PHE 36 -2.229 12.787 -12.052 1.00 0.00 ATOM 221 CB PHE 36 -1.059 12.398 -12.968 1.00 0.00 ATOM 222 CG PHE 36 -0.735 10.934 -12.954 1.00 0.00 ATOM 223 CD1 PHE 36 -1.441 10.049 -13.753 1.00 0.00 ATOM 224 CD2 PHE 36 0.252 10.435 -12.119 1.00 0.00 ATOM 225 CE1 PHE 36 -1.163 8.702 -13.717 1.00 0.00 ATOM 226 CE2 PHE 36 0.535 9.091 -12.091 1.00 0.00 ATOM 227 CZ PHE 36 -0.168 8.225 -12.884 1.00 0.00 ATOM 228 O PHE 36 -3.147 14.847 -12.891 1.00 0.00 ATOM 229 C PHE 36 -2.391 14.302 -12.079 1.00 0.00 ATOM 230 N VAL 37 -1.673 14.974 -11.186 1.00 0.00 ATOM 231 CA VAL 37 -1.634 16.430 -11.178 1.00 0.00 ATOM 232 CB VAL 37 -0.969 16.967 -9.896 1.00 0.00 ATOM 233 CG1 VAL 37 -0.875 18.498 -9.927 1.00 0.00 ATOM 234 CG2 VAL 37 -1.738 16.487 -8.672 1.00 0.00 ATOM 235 O VAL 37 0.261 16.563 -12.646 1.00 0.00 ATOM 236 C VAL 37 -0.889 16.939 -12.411 1.00 0.00 ATOM 237 N LYS 38 -1.558 17.799 -13.177 1.00 0.00 ATOM 238 CA LYS 38 -1.016 18.359 -14.419 1.00 0.00 ATOM 239 CB LYS 38 -2.099 18.387 -15.503 1.00 0.00 ATOM 240 CG LYS 38 -2.763 17.059 -15.773 1.00 0.00 ATOM 241 CD LYS 38 -1.834 16.069 -16.441 1.00 0.00 ATOM 242 CE LYS 38 -1.654 16.388 -17.917 1.00 0.00 ATOM 243 NZ LYS 38 -0.776 15.396 -18.594 1.00 0.00 ATOM 244 O LYS 38 0.482 20.183 -14.865 1.00 0.00 ATOM 245 C LYS 38 -0.493 19.779 -14.230 1.00 0.00 ATOM 246 N SER 39 -1.164 20.542 -13.376 1.00 0.00 ATOM 247 CA SER 39 -0.778 21.920 -13.109 1.00 0.00 ATOM 248 CB SER 39 -1.203 22.854 -14.248 1.00 0.00 ATOM 249 OG SER 39 -2.611 22.932 -14.348 1.00 0.00 ATOM 250 O SER 39 -2.372 21.782 -11.326 1.00 0.00 ATOM 251 C SER 39 -1.403 22.376 -11.804 1.00 0.00 ATOM 252 N ILE 40 -0.821 23.432 -11.243 1.00 0.00 ATOM 253 CA ILE 40 -1.231 24.000 -9.976 1.00 0.00 ATOM 254 CB ILE 40 -0.173 23.727 -8.883 1.00 0.00 ATOM 255 CG1 ILE 40 -0.040 22.211 -8.654 1.00 0.00 ATOM 256 CG2 ILE 40 -0.543 24.436 -7.582 1.00 0.00 ATOM 257 CD1 ILE 40 1.160 21.792 -7.822 1.00 0.00 ATOM 258 O ILE 40 -0.479 26.157 -10.706 1.00 0.00 ATOM 259 C ILE 40 -1.389 25.501 -10.200 1.00 0.00 ATOM 260 N THR 41 -2.550 26.034 -9.838 1.00 0.00 ATOM 261 CA THR 41 -2.847 27.437 -10.067 1.00 0.00 ATOM 262 CB THR 41 -4.359 27.690 -10.008 1.00 0.00 ATOM 263 CG2 THR 41 -4.680 29.143 -10.329 1.00 0.00 ATOM 264 OG1 THR 41 -5.013 26.833 -10.952 1.00 0.00 ATOM 265 O THR 41 -2.013 28.000 -7.885 1.00 0.00 ATOM 266 C THR 41 -2.128 28.333 -9.064 1.00 0.00 ATOM 267 N LYS 42 -1.652 29.476 -9.549 1.00 0.00 ATOM 268 CA LYS 42 -0.965 30.448 -8.710 1.00 0.00 ATOM 269 CB LYS 42 -0.470 31.625 -9.557 1.00 0.00 ATOM 270 CG LYS 42 0.313 32.673 -8.775 1.00 0.00 ATOM 271 O LYS 42 -3.065 31.222 -7.840 1.00 0.00 ATOM 272 C LYS 42 -1.886 30.950 -7.601 1.00 0.00 ATOM 273 N SER 43 -1.334 31.050 -6.392 1.00 0.00 ATOM 274 CA SER 43 -2.044 31.548 -5.204 1.00 0.00 ATOM 275 CB SER 43 -2.545 32.982 -5.435 1.00 0.00 ATOM 276 OG SER 43 -1.516 33.804 -5.954 1.00 0.00 ATOM 277 O SER 43 -4.020 31.099 -3.921 1.00 0.00 ATOM 278 C SER 43 -3.199 30.663 -4.723 1.00 0.00 ATOM 279 N SER 44 -3.244 29.415 -5.183 1.00 0.00 ATOM 280 CA SER 44 -4.317 28.502 -4.817 1.00 0.00 ATOM 281 CB SER 44 -4.433 27.394 -5.860 1.00 0.00 ATOM 282 OG SER 44 -3.268 26.592 -5.892 1.00 0.00 ATOM 283 O SER 44 -2.954 27.930 -2.924 1.00 0.00 ATOM 284 C SER 44 -4.064 27.862 -3.459 1.00 0.00 ATOM 285 N ALA 45 -5.103 27.229 -2.919 1.00 0.00 ATOM 286 CA ALA 45 -4.984 26.453 -1.689 1.00 0.00 ATOM 287 CB ALA 45 -6.326 25.821 -1.321 1.00 0.00 ATOM 288 O ALA 45 -3.112 25.169 -0.891 1.00 0.00 ATOM 289 C ALA 45 -3.900 25.378 -1.813 1.00 0.00 ATOM 290 N VAL 46 -3.855 24.697 -2.953 1.00 0.00 ATOM 291 CA VAL 46 -2.839 23.677 -3.169 1.00 0.00 ATOM 292 CB VAL 46 -3.132 22.847 -4.434 1.00 0.00 ATOM 293 CG1 VAL 46 -1.902 22.033 -4.857 1.00 0.00 ATOM 294 CG2 VAL 46 -4.327 21.927 -4.190 1.00 0.00 ATOM 295 O VAL 46 -0.507 23.759 -2.592 1.00 0.00 ATOM 296 C VAL 46 -1.433 24.288 -3.215 1.00 0.00 ATOM 297 N GLU 47 -1.269 25.400 -3.936 1.00 0.00 ATOM 298 CA GLU 47 0.038 26.069 -3.987 1.00 0.00 ATOM 299 CB GLU 47 0.042 27.245 -4.967 1.00 0.00 ATOM 300 CG GLU 47 1.451 27.770 -5.278 1.00 0.00 ATOM 301 CD GLU 47 1.443 29.048 -6.094 1.00 0.00 ATOM 302 OE1 GLU 47 0.969 30.085 -5.580 1.00 0.00 ATOM 303 OE2 GLU 47 1.920 29.020 -7.245 1.00 0.00 ATOM 304 O GLU 47 1.592 26.356 -2.177 1.00 0.00 ATOM 305 C GLU 47 0.453 26.554 -2.594 1.00 0.00 ATOM 306 N HIS 48 -0.481 27.162 -1.865 1.00 0.00 ATOM 307 CA HIS 48 -0.180 27.677 -0.532 1.00 0.00 ATOM 308 CB HIS 48 -1.399 28.371 0.072 1.00 0.00 ATOM 309 CG HIS 48 -1.111 29.070 1.363 1.00 0.00 ATOM 310 CD2 HIS 48 -0.810 30.363 1.628 1.00 0.00 ATOM 311 ND1 HIS 48 -1.098 28.417 2.576 1.00 0.00 ATOM 312 CE1 HIS 48 -0.807 29.279 3.534 1.00 0.00 ATOM 313 NE2 HIS 48 -0.629 30.467 2.985 1.00 0.00 ATOM 314 O HIS 48 1.260 26.710 1.137 1.00 0.00 ATOM 315 C HIS 48 0.286 26.556 0.392 1.00 0.00 ATOM 316 N ASP 49 -0.405 25.422 0.335 1.00 0.00 ATOM 317 CA ASP 49 -0.023 24.273 1.146 1.00 0.00 ATOM 318 CB ASP 49 -1.028 23.138 0.990 1.00 0.00 ATOM 319 CG ASP 49 -0.603 21.903 1.723 1.00 0.00 ATOM 320 OD1 ASP 49 0.036 21.042 1.086 1.00 0.00 ATOM 321 OD2 ASP 49 -0.883 21.807 2.936 1.00 0.00 ATOM 322 O ASP 49 2.179 23.477 1.681 1.00 0.00 ATOM 323 C ASP 49 1.387 23.793 0.795 1.00 0.00 ATOM 324 N GLY 50 1.682 23.723 -0.500 1.00 0.00 ATOM 325 CA GLY 50 3.045 23.508 -0.974 1.00 0.00 ATOM 326 O GLY 50 4.536 21.845 -1.798 1.00 0.00 ATOM 327 C GLY 50 3.500 22.073 -1.174 1.00 0.00 ATOM 328 N ARG 51 2.742 21.102 -0.667 1.00 0.00 ATOM 329 CA ARG 51 3.180 19.701 -0.717 1.00 0.00 ATOM 330 CB ARG 51 2.488 18.885 0.371 1.00 0.00 ATOM 331 CG ARG 51 3.046 19.159 1.748 1.00 0.00 ATOM 332 CD ARG 51 2.295 18.392 2.811 1.00 0.00 ATOM 333 NE ARG 51 1.028 19.032 3.120 1.00 0.00 ATOM 334 CZ ARG 51 0.234 18.686 4.126 1.00 0.00 ATOM 335 NH1 ARG 51 -0.891 19.353 4.321 1.00 0.00 ATOM 336 NH2 ARG 51 0.550 17.674 4.930 1.00 0.00 ATOM 337 O ARG 51 3.816 18.273 -2.527 1.00 0.00 ATOM 338 C ARG 51 2.966 19.029 -2.066 1.00 0.00 ATOM 339 N ILE 52 1.820 19.273 -2.689 1.00 0.00 ATOM 340 CA ILE 52 1.469 18.593 -3.933 1.00 0.00 ATOM 341 CB ILE 52 -0.042 18.723 -4.217 1.00 0.00 ATOM 342 CG1 ILE 52 -0.834 17.966 -3.145 1.00 0.00 ATOM 343 CG2 ILE 52 -0.388 18.202 -5.615 1.00 0.00 ATOM 344 CD1 ILE 52 -2.327 18.249 -3.137 1.00 0.00 ATOM 345 O ILE 52 2.604 20.334 -5.160 1.00 0.00 ATOM 346 C ILE 52 2.308 19.134 -5.091 1.00 0.00 ATOM 347 N GLN 53 2.710 18.226 -5.981 1.00 0.00 ATOM 348 CA GLN 53 3.546 18.553 -7.129 1.00 0.00 ATOM 349 CB GLN 53 4.960 18.004 -6.917 1.00 0.00 ATOM 350 CG GLN 53 5.720 18.679 -5.792 1.00 0.00 ATOM 351 CD GLN 53 7.025 17.988 -5.459 1.00 0.00 ATOM 352 OE1 GLN 53 7.526 17.173 -6.238 1.00 0.00 ATOM 353 NE2 GLN 53 7.591 18.319 -4.299 1.00 0.00 ATOM 354 O GLN 53 2.246 16.973 -8.393 1.00 0.00 ATOM 355 C GLN 53 2.970 17.966 -8.412 1.00 0.00 ATOM 356 N ILE 54 3.311 18.593 -9.529 1.00 0.00 ATOM 357 CA ILE 54 2.981 18.041 -10.833 1.00 0.00 ATOM 358 CB ILE 54 3.499 18.944 -11.970 1.00 0.00 ATOM 359 CG1 ILE 54 2.771 20.299 -11.935 1.00 0.00 ATOM 360 CG2 ILE 54 3.326 18.255 -13.316 1.00 0.00 ATOM 361 CD1 ILE 54 3.329 21.306 -12.902 1.00 0.00 ATOM 362 O ILE 54 4.709 16.381 -10.543 1.00 0.00 ATOM 363 C ILE 54 3.571 16.627 -10.940 1.00 0.00 ATOM 364 N GLY 55 2.769 15.696 -11.445 1.00 0.00 ATOM 365 CA GLY 55 3.177 14.308 -11.598 1.00 0.00 ATOM 366 O GLY 55 2.870 12.185 -10.582 1.00 0.00 ATOM 367 C GLY 55 2.747 13.397 -10.465 1.00 0.00 ATOM 368 N ASP 56 2.258 13.969 -9.368 1.00 0.00 ATOM 369 CA ASP 56 1.707 13.171 -8.272 1.00 0.00 ATOM 370 CB ASP 56 1.404 14.046 -7.047 1.00 0.00 ATOM 371 CG ASP 56 2.652 14.582 -6.369 1.00 0.00 ATOM 372 OD1 ASP 56 3.772 14.170 -6.734 1.00 0.00 ATOM 373 OD2 ASP 56 2.505 15.440 -5.470 1.00 0.00 ATOM 374 O ASP 56 -0.394 13.127 -9.401 1.00 0.00 ATOM 375 C ASP 56 0.421 12.499 -8.727 1.00 0.00 ATOM 376 N GLN 57 0.254 11.227 -8.366 1.00 0.00 ATOM 377 CA GLN 57 -0.988 10.504 -8.638 1.00 0.00 ATOM 378 CB GLN 57 -0.728 8.995 -8.814 1.00 0.00 ATOM 379 CG GLN 57 -1.953 8.250 -9.356 1.00 0.00 ATOM 380 CD GLN 57 -1.759 6.757 -9.524 1.00 0.00 ATOM 381 OE1 GLN 57 -0.638 6.261 -9.521 1.00 0.00 ATOM 382 NE2 GLN 57 -2.857 6.037 -9.692 1.00 0.00 ATOM 383 O GLN 57 -1.581 10.579 -6.334 1.00 0.00 ATOM 384 C GLN 57 -1.963 10.710 -7.487 1.00 0.00 ATOM 385 N ILE 58 -3.225 11.021 -7.790 1.00 0.00 ATOM 386 CA ILE 58 -4.252 11.057 -6.746 1.00 0.00 ATOM 387 CB ILE 58 -5.388 12.041 -7.060 1.00 0.00 ATOM 388 CG1 ILE 58 -4.814 13.459 -7.235 1.00 0.00 ATOM 389 CG2 ILE 58 -6.419 12.002 -5.942 1.00 0.00 ATOM 390 CD1 ILE 58 -5.844 14.549 -7.366 1.00 0.00 ATOM 391 O ILE 58 -5.389 9.105 -7.519 1.00 0.00 ATOM 392 C ILE 58 -4.800 9.643 -6.582 1.00 0.00 ATOM 393 N ILE 59 -4.584 9.045 -5.408 1.00 0.00 ATOM 394 CA ILE 59 -4.989 7.660 -5.180 1.00 0.00 ATOM 395 CB ILE 59 -3.792 6.762 -4.747 1.00 0.00 ATOM 396 CG1 ILE 59 -3.203 7.181 -3.396 1.00 0.00 ATOM 397 CG2 ILE 59 -2.715 6.763 -5.837 1.00 0.00 ATOM 398 CD1 ILE 59 -2.292 6.113 -2.777 1.00 0.00 ATOM 399 O ILE 59 -6.765 6.404 -4.166 1.00 0.00 ATOM 400 C ILE 59 -6.178 7.483 -4.222 1.00 0.00 ATOM 401 N ALA 60 -6.535 8.528 -3.478 1.00 0.00 ATOM 402 CA ALA 60 -7.741 8.484 -2.643 1.00 0.00 ATOM 403 CB ALA 60 -7.466 7.794 -1.302 1.00 0.00 ATOM 404 O ALA 60 -7.511 10.863 -2.407 1.00 0.00 ATOM 405 C ALA 60 -8.277 9.893 -2.428 1.00 0.00 ATOM 406 N VAL 61 -9.596 9.984 -2.273 1.00 0.00 ATOM 407 CA VAL 61 -10.280 11.238 -1.988 1.00 0.00 ATOM 408 CB VAL 61 -11.025 11.781 -3.239 1.00 0.00 ATOM 409 CG1 VAL 61 -11.758 13.080 -2.920 1.00 0.00 ATOM 410 CG2 VAL 61 -10.069 11.976 -4.402 1.00 0.00 ATOM 411 O VAL 61 -12.167 10.098 -1.081 1.00 0.00 ATOM 412 C VAL 61 -11.310 10.955 -0.901 1.00 0.00 ATOM 413 N ASP 62 -11.224 11.660 0.224 1.00 0.00 ATOM 414 CA ASP 62 -12.267 11.598 1.262 1.00 0.00 ATOM 415 CB ASP 62 -13.541 12.307 0.773 1.00 0.00 ATOM 416 CG ASP 62 -13.343 13.792 0.546 1.00 0.00 ATOM 417 OD1 ASP 62 -12.495 14.401 1.235 1.00 0.00 ATOM 418 OD2 ASP 62 -14.049 14.353 -0.323 1.00 0.00 ATOM 419 O ASP 62 -13.803 9.832 1.828 1.00 0.00 ATOM 420 C ASP 62 -12.622 10.167 1.683 1.00 0.00 ATOM 421 N GLY 63 -11.608 9.325 1.865 1.00 0.00 ATOM 422 CA GLY 63 -11.824 7.931 2.279 1.00 0.00 ATOM 423 O GLY 63 -12.283 5.749 1.407 1.00 0.00 ATOM 424 C GLY 63 -12.127 6.944 1.158 1.00 0.00 ATOM 425 N THR 64 -12.206 7.430 -0.075 1.00 0.00 ATOM 426 CA THR 64 -12.494 6.585 -1.224 1.00 0.00 ATOM 427 CB THR 64 -13.490 7.273 -2.181 1.00 0.00 ATOM 428 CG2 THR 64 -13.745 6.414 -3.412 1.00 0.00 ATOM 429 OG1 THR 64 -14.728 7.510 -1.493 1.00 0.00 ATOM 430 O THR 64 -10.599 7.209 -2.527 1.00 0.00 ATOM 431 C THR 64 -11.195 6.303 -1.968 1.00 0.00 ATOM 432 N ASN 65 -10.762 5.046 -1.957 1.00 0.00 ATOM 433 CA ASN 65 -9.606 4.619 -2.735 1.00 0.00 ATOM 434 CB ASN 65 -9.049 3.276 -2.272 1.00 0.00 ATOM 435 CG ASN 65 -7.714 2.957 -2.924 1.00 0.00 ATOM 436 ND2 ASN 65 -6.629 3.133 -2.180 1.00 0.00 ATOM 437 OD1 ASN 65 -7.662 2.571 -4.089 1.00 0.00 ATOM 438 O ASN 65 -10.987 3.962 -4.580 1.00 0.00 ATOM 439 C ASN 65 -9.980 4.562 -4.211 1.00 0.00 ATOM 440 N LEU 66 -9.161 5.196 -5.044 1.00 0.00 ATOM 441 CA LEU 66 -9.452 5.346 -6.465 1.00 0.00 ATOM 442 CB LEU 66 -9.030 6.735 -6.933 1.00 0.00 ATOM 443 CG LEU 66 -9.589 7.939 -6.192 1.00 0.00 ATOM 444 CD1 LEU 66 -9.000 9.199 -6.811 1.00 0.00 ATOM 445 CD2 LEU 66 -11.103 7.961 -6.233 1.00 0.00 ATOM 446 O LEU 66 -8.996 4.317 -8.549 1.00 0.00 ATOM 447 C LEU 66 -8.743 4.348 -7.353 1.00 0.00 ATOM 448 N GLN 67 -7.833 3.558 -6.802 1.00 0.00 ATOM 449 CA GLN 67 -6.881 2.842 -7.657 1.00 0.00 ATOM 450 CB GLN 67 -5.712 2.315 -6.821 1.00 0.00 ATOM 451 CG GLN 67 -4.828 3.450 -6.299 1.00 0.00 ATOM 452 CD GLN 67 -3.778 2.987 -5.314 1.00 0.00 ATOM 453 OE1 GLN 67 -4.060 2.792 -4.128 1.00 0.00 ATOM 454 NE2 GLN 67 -2.553 2.825 -5.795 1.00 0.00 ATOM 455 O GLN 67 -6.928 1.387 -9.570 1.00 0.00 ATOM 456 C GLN 67 -7.505 1.751 -8.542 1.00 0.00 ATOM 457 N GLY 68 -8.683 1.252 -8.172 1.00 0.00 ATOM 458 CA GLY 68 -9.422 0.310 -9.031 1.00 0.00 ATOM 459 O GLY 68 -11.086 0.237 -10.761 1.00 0.00 ATOM 460 C GLY 68 -10.423 0.939 -9.999 1.00 0.00 ATOM 461 N PHE 69 -10.524 2.261 -9.983 1.00 0.00 ATOM 462 CA PHE 69 -11.529 2.981 -10.758 1.00 0.00 ATOM 463 CB PHE 69 -11.802 4.338 -10.094 1.00 0.00 ATOM 464 CG PHE 69 -12.608 4.272 -8.812 1.00 0.00 ATOM 465 CD1 PHE 69 -12.907 3.069 -8.177 1.00 0.00 ATOM 466 CD2 PHE 69 -13.067 5.448 -8.238 1.00 0.00 ATOM 467 CE1 PHE 69 -13.656 3.061 -7.009 1.00 0.00 ATOM 468 CE2 PHE 69 -13.804 5.445 -7.071 1.00 0.00 ATOM 469 CZ PHE 69 -14.109 4.257 -6.461 1.00 0.00 ATOM 470 O PHE 69 -9.849 3.230 -12.448 1.00 0.00 ATOM 471 C PHE 69 -11.049 3.230 -12.184 1.00 0.00 ATOM 472 N THR 70 -11.978 3.479 -13.102 1.00 0.00 ATOM 473 CA THR 70 -11.590 4.036 -14.395 1.00 0.00 ATOM 474 CB THR 70 -12.732 4.050 -15.420 1.00 0.00 ATOM 475 CG2 THR 70 -13.332 2.665 -15.616 1.00 0.00 ATOM 476 OG1 THR 70 -13.728 4.983 -15.000 1.00 0.00 ATOM 477 O THR 70 -11.472 6.085 -13.156 1.00 0.00 ATOM 478 C THR 70 -11.119 5.466 -14.156 1.00 0.00 ATOM 479 N ASN 71 -10.308 5.991 -15.060 1.00 0.00 ATOM 480 CA ASN 71 -9.791 7.340 -14.866 1.00 0.00 ATOM 481 CB ASN 71 -8.775 7.696 -15.955 1.00 0.00 ATOM 482 CG ASN 71 -7.471 6.943 -15.803 1.00 0.00 ATOM 483 ND2 ASN 71 -6.710 6.855 -16.891 1.00 0.00 ATOM 484 OD1 ASN 71 -7.142 6.457 -14.721 1.00 0.00 ATOM 485 O ASN 71 -10.892 9.281 -13.994 1.00 0.00 ATOM 486 C ASN 71 -10.919 8.366 -14.818 1.00 0.00 ATOM 487 N GLN 72 -11.925 8.214 -15.678 1.00 0.00 ATOM 488 CA GLN 72 -13.047 9.148 -15.661 1.00 0.00 ATOM 489 CB GLN 72 -13.930 9.020 -16.916 1.00 0.00 ATOM 490 CG GLN 72 -14.658 7.689 -17.137 1.00 0.00 ATOM 491 CD GLN 72 -13.853 6.665 -17.912 1.00 0.00 ATOM 492 OE1 GLN 72 -12.620 6.646 -17.856 1.00 0.00 ATOM 493 NE2 GLN 72 -14.554 5.781 -18.616 1.00 0.00 ATOM 494 O GLN 72 -14.321 10.020 -13.825 1.00 0.00 ATOM 495 C GLN 72 -13.861 9.027 -14.365 1.00 0.00 ATOM 496 N GLN 73 -14.029 7.807 -13.861 1.00 0.00 ATOM 497 CA GLN 73 -14.693 7.600 -12.576 1.00 0.00 ATOM 498 CB GLN 73 -14.772 6.104 -12.279 1.00 0.00 ATOM 499 CG GLN 73 -15.460 5.727 -10.992 1.00 0.00 ATOM 500 CD GLN 73 -15.396 4.235 -10.729 1.00 0.00 ATOM 501 OE1 GLN 73 -14.742 3.490 -11.460 1.00 0.00 ATOM 502 NE2 GLN 73 -16.066 3.796 -9.673 1.00 0.00 ATOM 503 O GLN 73 -14.564 9.000 -10.611 1.00 0.00 ATOM 504 C GLN 73 -13.949 8.346 -11.462 1.00 0.00 ATOM 505 N ALA 74 -12.623 8.254 -11.474 1.00 0.00 ATOM 506 CA ALA 74 -11.798 8.953 -10.491 1.00 0.00 ATOM 507 CB ALA 74 -10.340 8.506 -10.618 1.00 0.00 ATOM 508 O ALA 74 -12.043 11.190 -9.645 1.00 0.00 ATOM 509 C ALA 74 -11.918 10.474 -10.642 1.00 0.00 ATOM 510 N VAL 75 -11.872 10.960 -11.885 1.00 0.00 ATOM 511 CA VAL 75 -12.062 12.380 -12.163 1.00 0.00 ATOM 512 CB VAL 75 -11.990 12.686 -13.693 1.00 0.00 ATOM 513 CG1 VAL 75 -12.606 14.047 -14.022 1.00 0.00 ATOM 514 CG2 VAL 75 -10.549 12.598 -14.187 1.00 0.00 ATOM 515 O VAL 75 -13.456 13.916 -10.941 1.00 0.00 ATOM 516 C VAL 75 -13.389 12.858 -11.565 1.00 0.00 ATOM 517 N GLU 76 -14.441 12.070 -11.742 1.00 0.00 ATOM 518 CA GLU 76 -15.757 12.470 -11.263 1.00 0.00 ATOM 519 CB GLU 76 -16.846 11.573 -11.860 1.00 0.00 ATOM 520 CG GLU 76 -16.941 11.645 -13.406 1.00 0.00 ATOM 521 CD GLU 76 -17.276 13.034 -13.944 1.00 0.00 ATOM 522 OE1 GLU 76 -17.676 13.901 -13.150 1.00 0.00 ATOM 523 OE2 GLU 76 -17.155 13.261 -15.170 1.00 0.00 ATOM 524 O GLU 76 -16.539 13.389 -9.186 1.00 0.00 ATOM 525 C GLU 76 -15.838 12.534 -9.731 1.00 0.00 ATOM 526 N VAL 77 -15.113 11.665 -9.032 1.00 0.00 ATOM 527 CA VAL 77 -15.032 11.784 -7.575 1.00 0.00 ATOM 528 CB VAL 77 -14.183 10.668 -6.927 1.00 0.00 ATOM 529 CG1 VAL 77 -14.073 10.896 -5.425 1.00 0.00 ATOM 530 CG2 VAL 77 -14.795 9.306 -7.207 1.00 0.00 ATOM 531 O VAL 77 -15.041 13.847 -6.340 1.00 0.00 ATOM 532 C VAL 77 -14.478 13.159 -7.193 1.00 0.00 ATOM 533 N LEU 78 -13.392 13.573 -7.842 1.00 0.00 ATOM 534 CA LEU 78 -12.798 14.884 -7.559 1.00 0.00 ATOM 535 CB LEU 78 -11.480 15.080 -8.315 1.00 0.00 ATOM 536 CG LEU 78 -10.244 14.462 -7.669 1.00 0.00 ATOM 537 CD1 LEU 78 -9.890 15.188 -6.381 1.00 0.00 ATOM 538 CD2 LEU 78 -10.428 12.976 -7.418 1.00 0.00 ATOM 539 O LEU 78 -13.841 17.004 -7.141 1.00 0.00 ATOM 540 C LEU 78 -13.754 16.024 -7.888 1.00 0.00 ATOM 541 N ARG 79 -14.477 15.896 -8.998 1.00 0.00 ATOM 542 CA ARG 79 -15.357 16.971 -9.458 1.00 0.00 ATOM 543 CB ARG 79 -15.901 16.683 -10.862 1.00 0.00 ATOM 544 CG ARG 79 -14.844 16.755 -11.941 1.00 0.00 ATOM 545 CD ARG 79 -15.419 16.567 -13.333 1.00 0.00 ATOM 546 NE ARG 79 -16.226 17.708 -13.755 1.00 0.00 ATOM 547 CZ ARG 79 -17.548 17.718 -13.912 1.00 0.00 ATOM 548 NH1 ARG 79 -18.279 16.628 -13.708 1.00 0.00 ATOM 549 NH2 ARG 79 -18.149 18.839 -14.293 1.00 0.00 ATOM 550 O ARG 79 -17.044 18.309 -8.426 1.00 0.00 ATOM 551 C ARG 79 -16.514 17.201 -8.499 1.00 0.00 ATOM 552 N HIS 80 -16.908 16.154 -7.774 1.00 0.00 ATOM 553 CA HIS 80 -18.103 16.207 -6.945 1.00 0.00 ATOM 554 CB HIS 80 -18.965 14.967 -7.226 1.00 0.00 ATOM 555 CG HIS 80 -19.554 14.945 -8.611 1.00 0.00 ATOM 556 CD2 HIS 80 -20.729 15.422 -9.088 1.00 0.00 ATOM 557 ND1 HIS 80 -18.902 14.393 -9.693 1.00 0.00 ATOM 558 CE1 HIS 80 -19.657 14.518 -10.771 1.00 0.00 ATOM 559 NE2 HIS 80 -20.771 15.140 -10.433 1.00 0.00 ATOM 560 O HIS 80 -18.659 16.244 -4.594 1.00 0.00 ATOM 561 C HIS 80 -17.790 16.400 -5.446 1.00 0.00 ATOM 562 N THR 81 -16.560 16.797 -5.140 1.00 0.00 ATOM 563 CA THR 81 -16.144 17.050 -3.763 1.00 0.00 ATOM 564 CB THR 81 -14.607 17.217 -3.650 1.00 0.00 ATOM 565 CG2 THR 81 -13.894 15.885 -3.828 1.00 0.00 ATOM 566 OG1 THR 81 -14.141 18.150 -4.635 1.00 0.00 ATOM 567 O THR 81 -17.173 19.220 -3.930 1.00 0.00 ATOM 568 C THR 81 -16.780 18.310 -3.190 1.00 0.00 ATOM 569 N GLY 82 -16.865 18.351 -1.861 1.00 0.00 ATOM 570 CA GLY 82 -17.286 19.546 -1.128 1.00 0.00 ATOM 571 O GLY 82 -15.077 20.353 -1.520 1.00 0.00 ATOM 572 C GLY 82 -16.114 20.475 -0.878 1.00 0.00 ATOM 573 N GLN 83 -16.260 21.398 0.066 1.00 0.00 ATOM 574 CA GLN 83 -15.243 22.434 0.258 1.00 0.00 ATOM 575 CB GLN 83 -15.781 23.605 1.088 1.00 0.00 ATOM 576 CG GLN 83 -14.833 24.797 1.058 1.00 0.00 ATOM 577 CD GLN 83 -15.229 25.945 1.952 1.00 0.00 ATOM 578 OE1 GLN 83 -16.284 25.934 2.597 1.00 0.00 ATOM 579 NE2 GLN 83 -14.373 26.961 1.991 1.00 0.00 ATOM 580 O GLN 83 -12.873 22.397 0.562 1.00 0.00 ATOM 581 C GLN 83 -13.955 21.927 0.896 1.00 0.00 ATOM 582 N THR 84 -14.077 20.987 1.820 1.00 0.00 ATOM 583 CA THR 84 -12.910 20.430 2.495 1.00 0.00 ATOM 584 CB THR 84 -13.069 20.469 4.025 1.00 0.00 ATOM 585 CG2 THR 84 -11.894 19.797 4.718 1.00 0.00 ATOM 586 OG1 THR 84 -13.137 21.838 4.449 1.00 0.00 ATOM 587 O THR 84 -13.623 18.218 1.923 1.00 0.00 ATOM 588 C THR 84 -12.690 19.022 1.975 1.00 0.00 ATOM 589 N VAL 85 -11.449 18.751 1.582 1.00 0.00 ATOM 590 CA VAL 85 -11.084 17.523 0.888 1.00 0.00 ATOM 591 CB VAL 85 -10.808 17.799 -0.623 1.00 0.00 ATOM 592 CG1 VAL 85 -10.648 16.496 -1.385 1.00 0.00 ATOM 593 CG2 VAL 85 -11.930 18.633 -1.240 1.00 0.00 ATOM 594 O VAL 85 -8.859 17.657 1.761 1.00 0.00 ATOM 595 C VAL 85 -9.822 16.934 1.515 1.00 0.00 ATOM 596 N LEU 86 -9.831 15.630 1.784 1.00 0.00 ATOM 597 CA LEU 86 -8.597 14.909 2.127 1.00 0.00 ATOM 598 CB LEU 86 -8.806 13.940 3.291 1.00 0.00 ATOM 599 CG LEU 86 -7.578 13.112 3.709 1.00 0.00 ATOM 600 CD1 LEU 86 -6.455 13.977 4.286 1.00 0.00 ATOM 601 CD2 LEU 86 -7.982 12.035 4.707 1.00 0.00 ATOM 602 O LEU 86 -8.835 13.260 0.409 1.00 0.00 ATOM 603 C LEU 86 -8.140 14.151 0.890 1.00 0.00 ATOM 604 N LEU 87 -6.988 14.543 0.358 1.00 0.00 ATOM 605 CA LEU 87 -6.400 13.859 -0.784 1.00 0.00 ATOM 606 CB LEU 87 -5.845 14.864 -1.790 1.00 0.00 ATOM 607 CG LEU 87 -6.831 15.804 -2.472 1.00 0.00 ATOM 608 CD1 LEU 87 -6.074 16.736 -3.412 1.00 0.00 ATOM 609 CD2 LEU 87 -7.888 15.021 -3.232 1.00 0.00 ATOM 610 O LEU 87 -4.461 13.407 0.513 1.00 0.00 ATOM 611 C LEU 87 -5.263 12.984 -0.315 1.00 0.00 ATOM 612 N THR 88 -5.194 11.770 -0.858 1.00 0.00 ATOM 613 CA THR 88 -4.018 10.931 -0.705 1.00 0.00 ATOM 614 CB THR 88 -4.360 9.532 -0.174 1.00 0.00 ATOM 615 CG2 THR 88 -3.090 8.747 0.128 1.00 0.00 ATOM 616 OG1 THR 88 -5.125 9.661 1.030 1.00 0.00 ATOM 617 O THR 88 -4.018 10.549 -3.069 1.00 0.00 ATOM 618 C THR 88 -3.353 10.826 -2.064 1.00 0.00 ATOM 619 N LEU 89 -2.044 11.056 -2.080 1.00 0.00 ATOM 620 CA LEU 89 -1.269 11.074 -3.308 1.00 0.00 ATOM 621 CB LEU 89 -0.727 12.476 -3.577 1.00 0.00 ATOM 622 CG LEU 89 -1.826 13.541 -3.698 1.00 0.00 ATOM 623 CD1 LEU 89 -2.010 14.258 -2.351 1.00 0.00 ATOM 624 CD2 LEU 89 -1.536 14.515 -4.827 1.00 0.00 ATOM 625 O LEU 89 0.384 9.781 -2.161 1.00 0.00 ATOM 626 C LEU 89 -0.112 10.098 -3.242 1.00 0.00 ATOM 627 N MET 90 0.308 9.640 -4.415 1.00 0.00 ATOM 628 CA MET 90 1.477 8.798 -4.562 1.00 0.00 ATOM 629 CB MET 90 1.064 7.410 -5.044 1.00 0.00 ATOM 630 CG MET 90 2.223 6.439 -5.163 1.00 0.00 ATOM 631 SD MET 90 1.707 4.806 -5.713 1.00 0.00 ATOM 632 CE MET 90 0.702 4.288 -4.320 1.00 0.00 ATOM 633 O MET 90 1.974 9.906 -6.627 1.00 0.00 ATOM 634 C MET 90 2.409 9.448 -5.579 1.00 0.00 ATOM 635 N ARG 91 3.689 9.469 -5.242 1.00 0.00 ATOM 636 CA ARG 91 4.727 10.082 -6.043 1.00 0.00 ATOM 637 CB ARG 91 5.324 11.250 -5.242 1.00 0.00 ATOM 638 CG ARG 91 6.439 12.011 -5.892 1.00 0.00 ATOM 639 CD ARG 91 6.884 13.103 -4.954 1.00 0.00 ATOM 640 NE ARG 91 5.835 14.107 -4.799 1.00 0.00 ATOM 641 CZ ARG 91 5.822 15.057 -3.872 1.00 0.00 ATOM 642 NH1 ARG 91 6.778 15.134 -2.952 1.00 0.00 ATOM 643 NH2 ARG 91 4.830 15.928 -3.860 1.00 0.00 ATOM 644 O ARG 91 6.403 8.544 -5.333 1.00 0.00 ATOM 645 C ARG 91 5.779 9.008 -6.283 1.00 0.00 ATOM 646 N ARG 92 5.968 8.600 -7.536 1.00 0.00 ATOM 647 CA ARG 92 6.914 7.529 -7.862 1.00 0.00 ATOM 648 CB ARG 92 6.397 6.674 -9.016 1.00 0.00 ATOM 649 CG ARG 92 5.195 5.844 -8.646 1.00 0.00 ATOM 650 CD ARG 92 4.758 4.902 -9.773 1.00 0.00 ATOM 651 NE ARG 92 3.531 4.197 -9.401 1.00 0.00 ATOM 652 CZ ARG 92 2.311 4.740 -9.410 1.00 0.00 ATOM 653 NH1 ARG 92 2.127 6.004 -9.771 1.00 0.00 ATOM 654 NH2 ARG 92 1.262 4.013 -9.038 1.00 0.00 ATOM 655 O ARG 92 8.427 8.926 -9.097 1.00 0.00 ATOM 656 C ARG 92 8.291 8.079 -8.208 1.00 0.00 ATOM 657 N GLY 93 9.307 7.582 -7.510 1.00 0.00 ATOM 658 CA GLY 93 10.684 8.004 -7.730 1.00 0.00 ATOM 659 O GLY 93 12.577 7.352 -8.995 1.00 0.00 ATOM 660 C GLY 93 11.557 6.991 -8.437 1.00 0.00 ATOM 661 N GLU 94 11.175 5.722 -8.384 1.00 0.00 ATOM 662 CA GLU 94 11.908 4.664 -9.073 1.00 0.00 ATOM 663 CB GLU 94 12.894 3.954 -8.137 1.00 0.00 ATOM 664 CG GLU 94 13.675 2.823 -8.813 1.00 0.00 ATOM 665 CD GLU 94 14.649 2.147 -7.895 1.00 0.00 ATOM 666 OE1 GLU 94 15.857 2.455 -7.973 1.00 0.00 ATOM 667 OE2 GLU 94 14.204 1.304 -7.091 1.00 0.00 ATOM 668 O GLU 94 9.990 3.268 -8.903 1.00 0.00 ATOM 669 C GLU 94 10.919 3.664 -9.614 1.00 0.00 ATOM 670 N THR 95 11.116 3.267 -10.872 1.00 0.00 ATOM 671 CA THR 95 10.252 2.284 -11.521 1.00 0.00 ATOM 672 CB THR 95 9.166 2.973 -12.381 1.00 0.00 ATOM 673 CG2 THR 95 9.784 3.698 -13.569 1.00 0.00 ATOM 674 OG1 THR 95 8.222 2.001 -12.848 1.00 0.00 ATOM 675 O THR 95 12.135 1.753 -12.900 1.00 0.00 ATOM 676 C THR 95 11.079 1.370 -12.407 1.00 0.00 ATOM 677 N SER 96 10.574 0.158 -12.610 1.00 0.00 ATOM 678 CA SER 96 11.159 -0.781 -13.547 1.00 0.00 ATOM 679 CB SER 96 11.370 -2.131 -12.873 1.00 0.00 ATOM 680 OG SER 96 12.336 -2.012 -11.837 1.00 0.00 ATOM 681 O SER 96 9.047 -1.228 -14.592 1.00 0.00 ATOM 682 C SER 96 10.225 -0.890 -14.741 1.00 0.00 ATOM 683 N VAL 97 10.753 -0.578 -15.921 1.00 0.00 ATOM 684 CA VAL 97 9.963 -0.563 -17.147 1.00 0.00 ATOM 685 CB VAL 97 9.789 0.880 -17.678 1.00 0.00 ATOM 686 CG1 VAL 97 8.941 1.706 -16.709 1.00 0.00 ATOM 687 CG2 VAL 97 11.148 1.538 -17.912 1.00 0.00 ATOM 688 O VAL 97 11.703 -1.951 -18.097 1.00 0.00 ATOM 689 C VAL 97 10.580 -1.442 -18.226 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 T0359.undertaker-align.pdb looking for model 1 # WARNING: incomplete conformation T0359 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 = 0.925 # GDT_score = -78.226 # GDT_score(maxd=8.000,maxw=2.900)= -81.748 # GDT_score(maxd=8.000,maxw=3.200)= -78.895 # GDT_score(maxd=8.000,maxw=3.500)= -76.241 # GDT_score(maxd=10.000,maxw=3.800)= -77.753 # GDT_score(maxd=10.000,maxw=4.000)= -76.157 # GDT_score(maxd=10.000,maxw=4.200)= -74.607 # GDT_score(maxd=12.000,maxw=4.300)= -76.884 # GDT_score(maxd=12.000,maxw=4.500)= -75.383 # GDT_score(maxd=12.000,maxw=4.700)= -73.910 # GDT_score(maxd=14.000,maxw=5.200)= -72.724 # GDT_score(maxd=14.000,maxw=5.500)= -70.265 # command:# ReadConformPDB reading from PDB file T0359.undertaker-align.pdb looking for model 2 WARNING: atoms too close: (T0359)K29.C and (T0359)L30.C only 0.000 apart, marking (T0359)L30.C as missing WARNING: atoms too close: (T0359)L30.N and (T0359)E31.N only 0.000 apart, marking (T0359)L30.N as missing WARNING: atoms too close: (T0359)L30.CA and (T0359)E31.CA only 0.000 apart, marking (T0359)L30.CA as missing # WARNING: incomplete conformation T0359 can't currently be optimized by undertaker # copying to AlignedFragments data structure # command:# naming current conformation align2 # command:Warning: Couldn't open file decoys/align2.gdt for output # fraction of real conformation used = 0.892 # GDT_score = -74.462 # GDT_score(maxd=8.000,maxw=2.900)= -75.995 # GDT_score(maxd=8.000,maxw=3.200)= -74.052 # GDT_score(maxd=8.000,maxw=3.500)= -71.909 # GDT_score(maxd=10.000,maxw=3.800)= -73.344 # GDT_score(maxd=10.000,maxw=4.000)= -71.799 # GDT_score(maxd=10.000,maxw=4.200)= -70.214 # GDT_score(maxd=12.000,maxw=4.300)= -72.513 # GDT_score(maxd=12.000,maxw=4.500)= -70.974 # GDT_score(maxd=12.000,maxw=4.700)= -69.344 # GDT_score(maxd=14.000,maxw=5.200)= -67.865 # GDT_score(maxd=14.000,maxw=5.500)= -65.316 # command:# ReadConformPDB reading from PDB file T0359.undertaker-align.pdb looking for model 3 WARNING: atoms too close: (T0359)G26.C and (T0359)E31.C only 0.000 apart, marking (T0359)E31.C as missing WARNING: atoms too close: (T0359)D27.N and (T0359)P32.N only 0.000 apart, marking (T0359)D27.N as missing WARNING: atoms too close: (T0359)D27.CA and (T0359)P32.CA only 0.000 apart, marking (T0359)D27.CA as missing WARNING: atoms too close: (T0359)G50.C and (T0359)R51.C only 0.000 apart, marking (T0359)R51.C as missing WARNING: atoms too close: (T0359)R51.N and (T0359)I52.N only 0.000 apart, marking (T0359)R51.N as missing WARNING: atoms too close: (T0359)R51.CA and (T0359)I52.CA only 0.000 apart, marking (T0359)R51.CA as missing # WARNING: incomplete conformation T0359 can't currently be optimized by undertaker # command:# naming current conformation align3 # command:# ReadConformPDB reading from PDB file T0359.undertaker-align.pdb looking for model 4 WARNING: atoms too close: (T0359)G26.C and (T0359)E31.C only 0.000 apart, marking (T0359)E31.C as missing WARNING: atoms too close: (T0359)D27.N and (T0359)P32.N only 0.000 apart, marking (T0359)D27.N as missing WARNING: atoms too close: (T0359)D27.CA and (T0359)P32.CA only 0.000 apart, marking (T0359)D27.CA as missing # WARNING: incomplete conformation T0359 can't currently be optimized by undertaker # command:# naming current conformation align4 # command:# ReadConformPDB reading from PDB file T0359.undertaker-align.pdb looking for model 5 # WARNING: incomplete conformation T0359 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 94 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file ../model2.ts-submitted looking for model 1 # Found a chain break before 30 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file ../model3.ts-submitted looking for model 1 # Found a chain break before 25 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file ../model4.ts-submitted looking for model 1 # Found a chain break before 93 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file ../model5.ts-submitted looking for model 1 # WARNING: incomplete conformation T0359 can't currently be optimized by undertaker # ReadConformPDB reading from PDB file T0359.try1-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 93 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0359.try1-opt1.pdb.gz looking for model 1 # Found a chain break before 93 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0359.try1-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 96 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0359.try1-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 96 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0359.try1-opt2.pdb.gz looking for model 1 # Found a chain break before 93 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0359.try1-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 93 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0359.try2-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 93 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0359.try2-opt1.pdb.gz looking for model 1 # Found a chain break before 93 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0359.try2-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 30 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0359.try2-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 30 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0359.try2-opt2.pdb.gz looking for model 1 # Found a chain break before 93 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0359.try2-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 93 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0359.try3-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 93 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0359.try3-opt1.pdb.gz looking for model 1 # Found a chain break before 93 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0359.try3-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 31 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0359.try3-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 31 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0359.try3-opt2.pdb.gz looking for model 1 # Found a chain break before 65 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0359.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 T0359.try4-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 94 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0359.try4-opt1.pdb.gz looking for model 1 # Found a chain break before 94 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0359.try4-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 96 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0359.try4-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 96 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0359.try4-opt2.pdb.gz looking for model 1 # Found a chain break before 96 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0359.try4-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 96 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0359.try5-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 94 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0359.try5-opt1.pdb.gz looking for model 1 # Found a chain break before 94 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0359.try5-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 71 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0359.try5-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 71 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0359.try5-opt2.gromacs1.pdb.gz looking for model 1 # Found a chain break before 68 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0359.try5-opt2.gromacs1.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 68 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0359.try5-opt2.pdb.gz looking for model 1 # Found a chain break before 94 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0359.try5-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 94 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0359.try6-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 93 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0359.try6-opt1.pdb.gz looking for model 1 # Found a chain break before 93 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0359.try6-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 31 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0359.try6-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 31 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0359.try6-opt2.pdb.gz looking for model 1 # Found a chain break before 93 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0359.try6-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 93 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0359.try7-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 93 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0359.try7-opt1.pdb.gz looking for model 1 # Found a chain break before 93 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0359.try7-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 4 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0359.try7-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 4 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0359.try7-opt2.pdb.gz looking for model 1 # Found a chain break before 93 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0359.try7-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 93 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0359.try8-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 70 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0359.try8-opt1.pdb.gz looking for model 1 # Found a chain break before 70 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0359.try8-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 30 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0359.try8-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 30 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0359.try8-opt2.pdb.gz looking for model 1 # Found a chain break before 70 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0359.try8-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 70 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0359.try9-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 96 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0359.try9-opt1.pdb.gz looking for model 1 # Found a chain break before 96 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0359.try9-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 25 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0359.try9-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 25 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0359.try9-opt2.pdb.gz looking for model 1 # Found a chain break before 92 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0359.try9-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 92 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file servers/3D-JIGSAW_POPULUS_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0359 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_POPULUS_TS1 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_1960336846.pdb -s /var/tmp/to_scwrl_1960336846.seq -o /var/tmp/from_scwrl_1960336846.pdb > /var/tmp/scwrl_1960336846.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1960336846.pdb # conformation set from SCWRL output # naming current conformation 3D-JIGSAW_POPULUS_TS1-scwrl # ReadConformPDB reading from PDB file servers/3D-JIGSAW_POPULUS_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0359 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_POPULUS_TS2 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_854811880.pdb -s /var/tmp/to_scwrl_854811880.seq -o /var/tmp/from_scwrl_854811880.pdb > /var/tmp/scwrl_854811880.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_854811880.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 T0359 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_POPULUS_TS3 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_767429070.pdb -s /var/tmp/to_scwrl_767429070.seq -o /var/tmp/from_scwrl_767429070.pdb > /var/tmp/scwrl_767429070.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_767429070.pdb # conformation set from SCWRL output # naming current conformation 3D-JIGSAW_POPULUS_TS3-scwrl # ReadConformPDB reading from PDB file servers/3D-JIGSAW_POPULUS_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0359 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_POPULUS_TS4 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_400468860.pdb -s /var/tmp/to_scwrl_400468860.seq -o /var/tmp/from_scwrl_400468860.pdb > /var/tmp/scwrl_400468860.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_400468860.pdb # conformation set from SCWRL output # naming current conformation 3D-JIGSAW_POPULUS_TS4-scwrl # ReadConformPDB reading from PDB file servers/3D-JIGSAW_POPULUS_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0359 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation 3D-JIGSAW_POPULUS_TS5 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_340054830.pdb -s /var/tmp/to_scwrl_340054830.seq -o /var/tmp/from_scwrl_340054830.pdb > /var/tmp/scwrl_340054830.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_340054830.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 T0359 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS1 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_1777300653.pdb -s /var/tmp/to_scwrl_1777300653.seq -o /var/tmp/from_scwrl_1777300653.pdb > /var/tmp/scwrl_1777300653.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1777300653.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 T0359 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS2 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_1270387862.pdb -s /var/tmp/to_scwrl_1270387862.seq -o /var/tmp/from_scwrl_1270387862.pdb > /var/tmp/scwrl_1270387862.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1270387862.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 T0359 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS3 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_150239386.pdb -s /var/tmp/to_scwrl_150239386.seq -o /var/tmp/from_scwrl_150239386.pdb > /var/tmp/scwrl_150239386.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_150239386.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 T0359 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS4 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_25968390.pdb -s /var/tmp/to_scwrl_25968390.seq -o /var/tmp/from_scwrl_25968390.pdb > /var/tmp/scwrl_25968390.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_25968390.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 T0359 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS5 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_1410092279.pdb -s /var/tmp/to_scwrl_1410092279.seq -o /var/tmp/from_scwrl_1410092279.pdb > /var/tmp/scwrl_1410092279.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1410092279.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 T0359 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_TS1 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_980234778.pdb -s /var/tmp/to_scwrl_980234778.seq -o /var/tmp/from_scwrl_980234778.pdb > /var/tmp/scwrl_980234778.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_980234778.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 T0359 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_TS2 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_161401188.pdb -s /var/tmp/to_scwrl_161401188.seq -o /var/tmp/from_scwrl_161401188.pdb > /var/tmp/scwrl_161401188.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_161401188.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 T0359 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_TS3 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_868295163.pdb -s /var/tmp/to_scwrl_868295163.seq -o /var/tmp/from_scwrl_868295163.pdb > /var/tmp/scwrl_868295163.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_868295163.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 T0359 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_TS4 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_1327511603.pdb -s /var/tmp/to_scwrl_1327511603.seq -o /var/tmp/from_scwrl_1327511603.pdb > /var/tmp/scwrl_1327511603.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1327511603.pdb # conformation set from SCWRL output # naming current conformation 3D-JIGSAW_TS4-scwrl # ReadConformPDB reading from PDB file servers/3D-JIGSAW_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0359 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_TS5 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_1943186800.pdb -s /var/tmp/to_scwrl_1943186800.seq -o /var/tmp/from_scwrl_1943186800.pdb > /var/tmp/scwrl_1943186800.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1943186800.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 88 ; scwrl3 -i /var/tmp/to_scwrl_1434570862.pdb -s /var/tmp/to_scwrl_1434570862.seq -o /var/tmp/from_scwrl_1434570862.pdb > /var/tmp/scwrl_1434570862.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1434570862.pdb # conformation set from SCWRL output # naming current conformation 3Dpro_TS1-scwrl # ReadConformPDB reading from PDB file servers/3Dpro_TS2.pdb.gz looking for model 1 # Found a chain break before 65 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS2 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_685103477.pdb -s /var/tmp/to_scwrl_685103477.seq -o /var/tmp/from_scwrl_685103477.pdb > /var/tmp/scwrl_685103477.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_685103477.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 23 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS3 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_980560376.pdb -s /var/tmp/to_scwrl_980560376.seq -o /var/tmp/from_scwrl_980560376.pdb > /var/tmp/scwrl_980560376.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_980560376.pdb # conformation set from SCWRL output # naming current conformation 3Dpro_TS3-scwrl # ReadConformPDB reading from PDB file servers/3Dpro_TS4.pdb.gz looking for model 1 # naming current conformation 3Dpro_TS4 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_1010939395.pdb -s /var/tmp/to_scwrl_1010939395.seq -o /var/tmp/from_scwrl_1010939395.pdb > /var/tmp/scwrl_1010939395.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1010939395.pdb # conformation set from SCWRL output # naming current conformation 3Dpro_TS4-scwrl # ReadConformPDB reading from PDB file servers/3Dpro_TS5.pdb.gz looking for model 1 # naming current conformation 3Dpro_TS5 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_679889880.pdb -s /var/tmp/to_scwrl_679889880.seq -o /var/tmp/from_scwrl_679889880.pdb > /var/tmp/scwrl_679889880.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_679889880.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 9 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS1 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_260157788.pdb -s /var/tmp/to_scwrl_260157788.seq -o /var/tmp/from_scwrl_260157788.pdb > /var/tmp/scwrl_260157788.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_260157788.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 83 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS2 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_850960042.pdb -s /var/tmp/to_scwrl_850960042.seq -o /var/tmp/from_scwrl_850960042.pdb > /var/tmp/scwrl_850960042.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_850960042.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 86 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS3 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_916147260.pdb -s /var/tmp/to_scwrl_916147260.seq -o /var/tmp/from_scwrl_916147260.pdb > /var/tmp/scwrl_916147260.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_916147260.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 84 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS4 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_1187270448.pdb -s /var/tmp/to_scwrl_1187270448.seq -o /var/tmp/from_scwrl_1187270448.pdb > /var/tmp/scwrl_1187270448.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1187270448.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 41 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS5 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_1086653050.pdb -s /var/tmp/to_scwrl_1086653050.seq -o /var/tmp/from_scwrl_1086653050.pdb > /var/tmp/scwrl_1086653050.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1086653050.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 33 # copying to AlignedFragments data structure # naming current conformation BayesHH_TS1 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_134849650.pdb -s /var/tmp/to_scwrl_134849650.seq -o /var/tmp/from_scwrl_134849650.pdb > /var/tmp/scwrl_134849650.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_134849650.pdb # conformation set from SCWRL output # naming current conformation BayesHH_TS1-scwrl # ReadConformPDB reading from PDB file servers/Bilab-ENABLE_TS1.pdb.gz looking for model 1 # Found a chain break before 31 # copying to AlignedFragments data structure # naming current conformation Bilab-ENABLE_TS1 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_238727804.pdb -s /var/tmp/to_scwrl_238727804.seq -o /var/tmp/from_scwrl_238727804.pdb > /var/tmp/scwrl_238727804.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_238727804.pdb # conformation set from SCWRL output # naming current conformation Bilab-ENABLE_TS1-scwrl # ReadConformPDB reading from PDB file servers/Bilab-ENABLE_TS2.pdb.gz looking for model 1 # naming current conformation Bilab-ENABLE_TS2 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_889159169.pdb -s /var/tmp/to_scwrl_889159169.seq -o /var/tmp/from_scwrl_889159169.pdb > /var/tmp/scwrl_889159169.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_889159169.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 # naming current conformation Bilab-ENABLE_TS3 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_2046545728.pdb -s /var/tmp/to_scwrl_2046545728.seq -o /var/tmp/from_scwrl_2046545728.pdb > /var/tmp/scwrl_2046545728.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2046545728.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 26 # copying to AlignedFragments data structure # naming current conformation Bilab-ENABLE_TS4 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_1979522146.pdb -s /var/tmp/to_scwrl_1979522146.seq -o /var/tmp/from_scwrl_1979522146.pdb > /var/tmp/scwrl_1979522146.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1979522146.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 # naming current conformation Bilab-ENABLE_TS5 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_1701135012.pdb -s /var/tmp/to_scwrl_1701135012.seq -o /var/tmp/from_scwrl_1701135012.pdb > /var/tmp/scwrl_1701135012.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1701135012.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 93 # copying to AlignedFragments data structure # naming current conformation CIRCLE_TS1 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_1859398927.pdb -s /var/tmp/to_scwrl_1859398927.seq -o /var/tmp/from_scwrl_1859398927.pdb > /var/tmp/scwrl_1859398927.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1859398927.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 T0359 can't currently be optimized by undertaker # naming current conformation CIRCLE_TS2 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_686850379.pdb -s /var/tmp/to_scwrl_686850379.seq -o /var/tmp/from_scwrl_686850379.pdb > /var/tmp/scwrl_686850379.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_686850379.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 88 # copying to AlignedFragments data structure # naming current conformation CIRCLE_TS3 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_321080435.pdb -s /var/tmp/to_scwrl_321080435.seq -o /var/tmp/from_scwrl_321080435.pdb > /var/tmp/scwrl_321080435.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_321080435.pdb # conformation set from SCWRL output # naming current conformation CIRCLE_TS3-scwrl # ReadConformPDB reading from PDB file servers/CIRCLE_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0359 can't currently be optimized by undertaker # naming current conformation CIRCLE_TS4 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_112384140.pdb -s /var/tmp/to_scwrl_112384140.seq -o /var/tmp/from_scwrl_112384140.pdb > /var/tmp/scwrl_112384140.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_112384140.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 88 # copying to AlignedFragments data structure # naming current conformation CIRCLE_TS5 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_1026905209.pdb -s /var/tmp/to_scwrl_1026905209.seq -o /var/tmp/from_scwrl_1026905209.pdb > /var/tmp/scwrl_1026905209.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1026905209.pdb # conformation set from SCWRL output # naming current conformation CIRCLE_TS5-scwrl # ReadConformPDB reading from PDB file servers/CPHmodels_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0359 can't currently be optimized by undertaker # naming current conformation CPHmodels_TS1 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_2098381089.pdb -s /var/tmp/to_scwrl_2098381089.seq -o /var/tmp/from_scwrl_2098381089.pdb > /var/tmp/scwrl_2098381089.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2098381089.pdb # conformation set from SCWRL output # naming current conformation CPHmodels_TS1-scwrl # ReadConformPDB reading from PDB file servers/CaspIta-FOX_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0359 can't currently be optimized by undertaker # naming current conformation CaspIta-FOX_TS1 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_1382772002.pdb -s /var/tmp/to_scwrl_1382772002.seq -o /var/tmp/from_scwrl_1382772002.pdb > /var/tmp/scwrl_1382772002.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1382772002.pdb # conformation set from SCWRL output # naming current conformation CaspIta-FOX_TS1-scwrl # ReadConformPDB reading from PDB file servers/CaspIta-FOX_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0359 can't currently be optimized by undertaker # naming current conformation CaspIta-FOX_TS2 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_1177144594.pdb -s /var/tmp/to_scwrl_1177144594.seq -o /var/tmp/from_scwrl_1177144594.pdb > /var/tmp/scwrl_1177144594.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1177144594.pdb # conformation set from SCWRL output # naming current conformation CaspIta-FOX_TS2-scwrl # ReadConformPDB reading from PDB file servers/CaspIta-FOX_TS3.pdb.gz looking for model 1 # Found a chain break before 30 # copying to AlignedFragments data structure # naming current conformation CaspIta-FOX_TS3 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_2124349479.pdb -s /var/tmp/to_scwrl_2124349479.seq -o /var/tmp/from_scwrl_2124349479.pdb > /var/tmp/scwrl_2124349479.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2124349479.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 T0359 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation CaspIta-FOX_TS4 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_645380636.pdb -s /var/tmp/to_scwrl_645380636.seq -o /var/tmp/from_scwrl_645380636.pdb > /var/tmp/scwrl_645380636.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_645380636.pdb # conformation set from SCWRL output # naming current conformation CaspIta-FOX_TS4-scwrl # ReadConformPDB reading from PDB file servers/CaspIta-FOX_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0359 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation CaspIta-FOX_TS5 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_9895726.pdb -s /var/tmp/to_scwrl_9895726.seq -o /var/tmp/from_scwrl_9895726.pdb > /var/tmp/scwrl_9895726.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_9895726.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 T0359 can't currently be optimized by undertaker # naming current conformation Distill_TS1 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_138267020.pdb -s /var/tmp/to_scwrl_138267020.seq -o /var/tmp/from_scwrl_138267020.pdb > /var/tmp/scwrl_138267020.log Error: Couldn't open file /var/tmp/from_scwrl_138267020.pdb or /var/tmp/from_scwrl_138267020.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_138267020_b.pdb or decoys//var/tmp/from_scwrl_138267020_b.pdb.gz for input Trying /var/tmp/from_scwrl_138267020_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_138267020_b.pdb or /var/tmp/from_scwrl_138267020_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_138267020_a.pdb or decoys//var/tmp/from_scwrl_138267020_a.pdb.gz for input Trying /var/tmp/from_scwrl_138267020_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_138267020_a.pdb or /var/tmp/from_scwrl_138267020_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_138267020.pdb or /var/tmp/from_scwrl_138267020_b.pdb or /var/tmp/from_scwrl_138267020_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 T0359 can't currently be optimized by undertaker # naming current conformation Distill_TS2 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_1513675798.pdb -s /var/tmp/to_scwrl_1513675798.seq -o /var/tmp/from_scwrl_1513675798.pdb > /var/tmp/scwrl_1513675798.log Error: Couldn't open file /var/tmp/from_scwrl_1513675798.pdb or /var/tmp/from_scwrl_1513675798.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1513675798_b.pdb or decoys//var/tmp/from_scwrl_1513675798_b.pdb.gz for input Trying /var/tmp/from_scwrl_1513675798_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1513675798_b.pdb or /var/tmp/from_scwrl_1513675798_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1513675798_a.pdb or decoys//var/tmp/from_scwrl_1513675798_a.pdb.gz for input Trying /var/tmp/from_scwrl_1513675798_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1513675798_a.pdb or /var/tmp/from_scwrl_1513675798_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1513675798.pdb or /var/tmp/from_scwrl_1513675798_b.pdb or /var/tmp/from_scwrl_1513675798_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 T0359 can't currently be optimized by undertaker # naming current conformation Distill_TS3 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_1337407329.pdb -s /var/tmp/to_scwrl_1337407329.seq -o /var/tmp/from_scwrl_1337407329.pdb > /var/tmp/scwrl_1337407329.log Error: Couldn't open file /var/tmp/from_scwrl_1337407329.pdb or /var/tmp/from_scwrl_1337407329.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1337407329_b.pdb or decoys//var/tmp/from_scwrl_1337407329_b.pdb.gz for input Trying /var/tmp/from_scwrl_1337407329_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1337407329_b.pdb or /var/tmp/from_scwrl_1337407329_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1337407329_a.pdb or decoys//var/tmp/from_scwrl_1337407329_a.pdb.gz for input Trying /var/tmp/from_scwrl_1337407329_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1337407329_a.pdb or /var/tmp/from_scwrl_1337407329_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1337407329.pdb or /var/tmp/from_scwrl_1337407329_b.pdb or /var/tmp/from_scwrl_1337407329_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 T0359 can't currently be optimized by undertaker # naming current conformation Distill_TS4 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_2081453820.pdb -s /var/tmp/to_scwrl_2081453820.seq -o /var/tmp/from_scwrl_2081453820.pdb > /var/tmp/scwrl_2081453820.log Error: Couldn't open file /var/tmp/from_scwrl_2081453820.pdb or /var/tmp/from_scwrl_2081453820.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2081453820_b.pdb or decoys//var/tmp/from_scwrl_2081453820_b.pdb.gz for input Trying /var/tmp/from_scwrl_2081453820_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_2081453820_b.pdb or /var/tmp/from_scwrl_2081453820_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2081453820_a.pdb or decoys//var/tmp/from_scwrl_2081453820_a.pdb.gz for input Trying /var/tmp/from_scwrl_2081453820_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_2081453820_a.pdb or /var/tmp/from_scwrl_2081453820_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_2081453820.pdb or /var/tmp/from_scwrl_2081453820_b.pdb or /var/tmp/from_scwrl_2081453820_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 T0359 can't currently be optimized by undertaker # naming current conformation Distill_TS5 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_800763014.pdb -s /var/tmp/to_scwrl_800763014.seq -o /var/tmp/from_scwrl_800763014.pdb > /var/tmp/scwrl_800763014.log Error: Couldn't open file /var/tmp/from_scwrl_800763014.pdb or /var/tmp/from_scwrl_800763014.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_800763014_b.pdb or decoys//var/tmp/from_scwrl_800763014_b.pdb.gz for input Trying /var/tmp/from_scwrl_800763014_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_800763014_b.pdb or /var/tmp/from_scwrl_800763014_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_800763014_a.pdb or decoys//var/tmp/from_scwrl_800763014_a.pdb.gz for input Trying /var/tmp/from_scwrl_800763014_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_800763014_a.pdb or /var/tmp/from_scwrl_800763014_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_800763014.pdb or /var/tmp/from_scwrl_800763014_b.pdb or /var/tmp/from_scwrl_800763014_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 61 # copying to AlignedFragments data structure # naming current conformation FAMSD_TS1 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_2022510806.pdb -s /var/tmp/to_scwrl_2022510806.seq -o /var/tmp/from_scwrl_2022510806.pdb > /var/tmp/scwrl_2022510806.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2022510806.pdb # conformation set from SCWRL output # naming current conformation FAMSD_TS1-scwrl # ReadConformPDB reading from PDB file servers/FAMSD_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0359 can't currently be optimized by undertaker # naming current conformation FAMSD_TS2 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_914530550.pdb -s /var/tmp/to_scwrl_914530550.seq -o /var/tmp/from_scwrl_914530550.pdb > /var/tmp/scwrl_914530550.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_914530550.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 T0359 can't currently be optimized by undertaker # naming current conformation FAMSD_TS3 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_1811702409.pdb -s /var/tmp/to_scwrl_1811702409.seq -o /var/tmp/from_scwrl_1811702409.pdb > /var/tmp/scwrl_1811702409.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1811702409.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 # WARNING: incomplete conformation T0359 can't currently be optimized by undertaker # naming current conformation FAMSD_TS4 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_554917039.pdb -s /var/tmp/to_scwrl_554917039.seq -o /var/tmp/from_scwrl_554917039.pdb > /var/tmp/scwrl_554917039.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_554917039.pdb # conformation set from SCWRL output # naming current conformation FAMSD_TS4-scwrl # ReadConformPDB reading from PDB file servers/FAMSD_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0359 can't currently be optimized by undertaker # naming current conformation FAMSD_TS5 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_1174688337.pdb -s /var/tmp/to_scwrl_1174688337.seq -o /var/tmp/from_scwrl_1174688337.pdb > /var/tmp/scwrl_1174688337.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1174688337.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 95 # copying to AlignedFragments data structure # naming current conformation FAMS_TS1 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_515178804.pdb -s /var/tmp/to_scwrl_515178804.seq -o /var/tmp/from_scwrl_515178804.pdb > /var/tmp/scwrl_515178804.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_515178804.pdb # conformation set from SCWRL output # naming current conformation FAMS_TS1-scwrl # ReadConformPDB reading from PDB file servers/FAMS_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0359 can't currently be optimized by undertaker # naming current conformation FAMS_TS2 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_1471064299.pdb -s /var/tmp/to_scwrl_1471064299.seq -o /var/tmp/from_scwrl_1471064299.pdb > /var/tmp/scwrl_1471064299.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1471064299.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 T0359 can't currently be optimized by undertaker # naming current conformation FAMS_TS3 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_214475139.pdb -s /var/tmp/to_scwrl_214475139.seq -o /var/tmp/from_scwrl_214475139.pdb > /var/tmp/scwrl_214475139.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_214475139.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 93 # copying to AlignedFragments data structure # naming current conformation FAMS_TS4 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_1601831854.pdb -s /var/tmp/to_scwrl_1601831854.seq -o /var/tmp/from_scwrl_1601831854.pdb > /var/tmp/scwrl_1601831854.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1601831854.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 T0359 can't currently be optimized by undertaker # naming current conformation FAMS_TS5 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_1605913949.pdb -s /var/tmp/to_scwrl_1605913949.seq -o /var/tmp/from_scwrl_1605913949.pdb > /var/tmp/scwrl_1605913949.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1605913949.pdb # conformation set from SCWRL output # naming current conformation FAMS_TS5-scwrl # ReadConformPDB reading from PDB file servers/FOLDpro_TS1.pdb.gz looking for model 1 # naming current conformation FOLDpro_TS1 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_453202944.pdb -s /var/tmp/to_scwrl_453202944.seq -o /var/tmp/from_scwrl_453202944.pdb > /var/tmp/scwrl_453202944.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_453202944.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 88 ; scwrl3 -i /var/tmp/to_scwrl_343507377.pdb -s /var/tmp/to_scwrl_343507377.seq -o /var/tmp/from_scwrl_343507377.pdb > /var/tmp/scwrl_343507377.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_343507377.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 88 ; scwrl3 -i /var/tmp/to_scwrl_1504976030.pdb -s /var/tmp/to_scwrl_1504976030.seq -o /var/tmp/from_scwrl_1504976030.pdb > /var/tmp/scwrl_1504976030.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1504976030.pdb # conformation set from SCWRL output # naming current conformation FOLDpro_TS3-scwrl # ReadConformPDB reading from PDB file servers/FOLDpro_TS4.pdb.gz looking for model 1 # Found a chain break before 65 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS4 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_285241443.pdb -s /var/tmp/to_scwrl_285241443.seq -o /var/tmp/from_scwrl_285241443.pdb > /var/tmp/scwrl_285241443.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_285241443.pdb # conformation set from SCWRL output # naming current conformation FOLDpro_TS4-scwrl # ReadConformPDB reading from PDB file servers/FOLDpro_TS5.pdb.gz looking for model 1 # Found a chain break before 23 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS5 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_2044642389.pdb -s /var/tmp/to_scwrl_2044642389.seq -o /var/tmp/from_scwrl_2044642389.pdb > /var/tmp/scwrl_2044642389.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2044642389.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 T0359 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FORTE1_AL1 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_1216891310.pdb -s /var/tmp/to_scwrl_1216891310.seq -o /var/tmp/from_scwrl_1216891310.pdb > /var/tmp/scwrl_1216891310.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1216891310.pdb # conformation set from SCWRL output # naming current conformation FORTE1_AL1-scwrl # ReadConformPDB reading from PDB file servers/FORTE1_AL2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0359 can't currently be optimized by undertaker # naming current conformation FORTE1_AL2 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_972091822.pdb -s /var/tmp/to_scwrl_972091822.seq -o /var/tmp/from_scwrl_972091822.pdb > /var/tmp/scwrl_972091822.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_972091822.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 T0359 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FORTE1_AL3 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_218239178.pdb -s /var/tmp/to_scwrl_218239178.seq -o /var/tmp/from_scwrl_218239178.pdb > /var/tmp/scwrl_218239178.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_218239178.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 T0359 can't currently be optimized by undertaker # naming current conformation FORTE1_AL4 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_1329275451.pdb -s /var/tmp/to_scwrl_1329275451.seq -o /var/tmp/from_scwrl_1329275451.pdb > /var/tmp/scwrl_1329275451.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1329275451.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 T0359 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FORTE1_AL5 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_1998997030.pdb -s /var/tmp/to_scwrl_1998997030.seq -o /var/tmp/from_scwrl_1998997030.pdb > /var/tmp/scwrl_1998997030.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1998997030.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 T0359 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FORTE2_AL1 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_169136620.pdb -s /var/tmp/to_scwrl_169136620.seq -o /var/tmp/from_scwrl_169136620.pdb > /var/tmp/scwrl_169136620.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_169136620.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 T0359 can't currently be optimized by undertaker # naming current conformation FORTE2_AL2 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_564563807.pdb -s /var/tmp/to_scwrl_564563807.seq -o /var/tmp/from_scwrl_564563807.pdb > /var/tmp/scwrl_564563807.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_564563807.pdb # conformation set from SCWRL output # naming current conformation FORTE2_AL2-scwrl # ReadConformPDB reading from PDB file servers/FORTE2_AL3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0359 can't currently be optimized by undertaker # naming current conformation FORTE2_AL3 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_1028657979.pdb -s /var/tmp/to_scwrl_1028657979.seq -o /var/tmp/from_scwrl_1028657979.pdb > /var/tmp/scwrl_1028657979.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1028657979.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 T0359 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FORTE2_AL4 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_146002452.pdb -s /var/tmp/to_scwrl_146002452.seq -o /var/tmp/from_scwrl_146002452.pdb > /var/tmp/scwrl_146002452.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_146002452.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 T0359 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FORTE2_AL5 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_1209944442.pdb -s /var/tmp/to_scwrl_1209944442.seq -o /var/tmp/from_scwrl_1209944442.pdb > /var/tmp/scwrl_1209944442.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1209944442.pdb # conformation set from SCWRL output # naming current conformation FORTE2_AL5-scwrl # ReadConformPDB reading from PDB file servers/FPSOLVER-SERVER_TS1.pdb.gz looking for model 1 # Found a chain break before 82 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS1 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_1038553705.pdb -s /var/tmp/to_scwrl_1038553705.seq -o /var/tmp/from_scwrl_1038553705.pdb > /var/tmp/scwrl_1038553705.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1038553705.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 96 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS2 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_284269473.pdb -s /var/tmp/to_scwrl_284269473.seq -o /var/tmp/from_scwrl_284269473.pdb > /var/tmp/scwrl_284269473.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_284269473.pdb # conformation set from SCWRL output # naming current conformation FPSOLVER-SERVER_TS2-scwrl # ReadConformPDB reading from PDB file servers/FPSOLVER-SERVER_TS3.pdb.gz looking for model 1 # Found a chain break before 80 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS3 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_576136594.pdb -s /var/tmp/to_scwrl_576136594.seq -o /var/tmp/from_scwrl_576136594.pdb > /var/tmp/scwrl_576136594.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_576136594.pdb # conformation set from SCWRL output # naming current conformation FPSOLVER-SERVER_TS3-scwrl # ReadConformPDB reading from PDB file servers/FPSOLVER-SERVER_TS4.pdb.gz looking for model 1 # Found a chain break before 61 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS4 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_228477387.pdb -s /var/tmp/to_scwrl_228477387.seq -o /var/tmp/from_scwrl_228477387.pdb > /var/tmp/scwrl_228477387.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_228477387.pdb # conformation set from SCWRL output # naming current conformation FPSOLVER-SERVER_TS4-scwrl # ReadConformPDB reading from PDB file servers/FPSOLVER-SERVER_TS5.pdb.gz looking for model 1 # Found a chain break before 76 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS5 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_218239646.pdb -s /var/tmp/to_scwrl_218239646.seq -o /var/tmp/from_scwrl_218239646.pdb > /var/tmp/scwrl_218239646.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_218239646.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 # WARNING: incomplete conformation T0359 can't currently be optimized by undertaker # naming current conformation FUGMOD_TS1 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_1376899608.pdb -s /var/tmp/to_scwrl_1376899608.seq -o /var/tmp/from_scwrl_1376899608.pdb > /var/tmp/scwrl_1376899608.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1376899608.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 88 ; scwrl3 -i /var/tmp/to_scwrl_103504546.pdb -s /var/tmp/to_scwrl_103504546.seq -o /var/tmp/from_scwrl_103504546.pdb > /var/tmp/scwrl_103504546.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_103504546.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 # WARNING: incomplete conformation T0359 can't currently be optimized by undertaker # naming current conformation FUGMOD_TS3 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_1132770195.pdb -s /var/tmp/to_scwrl_1132770195.seq -o /var/tmp/from_scwrl_1132770195.pdb > /var/tmp/scwrl_1132770195.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1132770195.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 # WARNING: incomplete conformation T0359 can't currently be optimized by undertaker # naming current conformation FUGMOD_TS4 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_1041118371.pdb -s /var/tmp/to_scwrl_1041118371.seq -o /var/tmp/from_scwrl_1041118371.pdb > /var/tmp/scwrl_1041118371.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1041118371.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 88 ; scwrl3 -i /var/tmp/to_scwrl_658421585.pdb -s /var/tmp/to_scwrl_658421585.seq -o /var/tmp/from_scwrl_658421585.pdb > /var/tmp/scwrl_658421585.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_658421585.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 T0359 can't currently be optimized by undertaker # naming current conformation FUGUE_AL1 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_159974887.pdb -s /var/tmp/to_scwrl_159974887.seq -o /var/tmp/from_scwrl_159974887.pdb > /var/tmp/scwrl_159974887.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_159974887.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 T0359 can't currently be optimized by undertaker # naming current conformation FUGUE_AL2 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_1556297174.pdb -s /var/tmp/to_scwrl_1556297174.seq -o /var/tmp/from_scwrl_1556297174.pdb > /var/tmp/scwrl_1556297174.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1556297174.pdb # conformation set from SCWRL output # naming current conformation FUGUE_AL2-scwrl # ReadConformPDB reading from PDB file servers/FUGUE_AL3.pdb.gz looking for model 1 Skipped atom 211, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL3.pdb.gz # WARNING: incomplete conformation T0359 can't currently be optimized by undertaker # naming current conformation FUGUE_AL3 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_2129485884.pdb -s /var/tmp/to_scwrl_2129485884.seq -o /var/tmp/from_scwrl_2129485884.pdb > /var/tmp/scwrl_2129485884.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2129485884.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 T0359 can't currently be optimized by undertaker # naming current conformation FUGUE_AL4 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_374450026.pdb -s /var/tmp/to_scwrl_374450026.seq -o /var/tmp/from_scwrl_374450026.pdb > /var/tmp/scwrl_374450026.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_374450026.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 T0359 can't currently be optimized by undertaker # naming current conformation FUGUE_AL5 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_1010645382.pdb -s /var/tmp/to_scwrl_1010645382.seq -o /var/tmp/from_scwrl_1010645382.pdb > /var/tmp/scwrl_1010645382.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1010645382.pdb # conformation set from SCWRL output # naming current conformation FUGUE_AL5-scwrl # ReadConformPDB reading from PDB file servers/FUNCTION_TS1.pdb.gz looking for model 1 # Found a chain break before 82 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS1 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_1587916187.pdb -s /var/tmp/to_scwrl_1587916187.seq -o /var/tmp/from_scwrl_1587916187.pdb > /var/tmp/scwrl_1587916187.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1587916187.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 65 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS2 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_827652970.pdb -s /var/tmp/to_scwrl_827652970.seq -o /var/tmp/from_scwrl_827652970.pdb > /var/tmp/scwrl_827652970.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_827652970.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 75 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS3 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_1354152758.pdb -s /var/tmp/to_scwrl_1354152758.seq -o /var/tmp/from_scwrl_1354152758.pdb > /var/tmp/scwrl_1354152758.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1354152758.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 74 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS4 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_945408571.pdb -s /var/tmp/to_scwrl_945408571.seq -o /var/tmp/from_scwrl_945408571.pdb > /var/tmp/scwrl_945408571.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_945408571.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 93 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS5 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_1112894412.pdb -s /var/tmp/to_scwrl_1112894412.seq -o /var/tmp/from_scwrl_1112894412.pdb > /var/tmp/scwrl_1112894412.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1112894412.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 # Found a chain break before 30 # copying to AlignedFragments data structure # naming current conformation Frankenstein_TS1 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_1251311501.pdb -s /var/tmp/to_scwrl_1251311501.seq -o /var/tmp/from_scwrl_1251311501.pdb > /var/tmp/scwrl_1251311501.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1251311501.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 31 # copying to AlignedFragments data structure # naming current conformation Frankenstein_TS2 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_14816235.pdb -s /var/tmp/to_scwrl_14816235.seq -o /var/tmp/from_scwrl_14816235.pdb > /var/tmp/scwrl_14816235.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_14816235.pdb # conformation set from SCWRL output # naming current conformation Frankenstein_TS2-scwrl # ReadConformPDB reading from PDB file servers/Frankenstein_TS3.pdb.gz looking for model 1 # Found a chain break before 34 # copying to AlignedFragments data structure # naming current conformation Frankenstein_TS3 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_2084986234.pdb -s /var/tmp/to_scwrl_2084986234.seq -o /var/tmp/from_scwrl_2084986234.pdb > /var/tmp/scwrl_2084986234.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2084986234.pdb # conformation set from SCWRL output # naming current conformation Frankenstein_TS3-scwrl # ReadConformPDB reading from PDB file servers/Frankenstein_TS4.pdb.gz looking for model 1 # Found a chain break before 29 # copying to AlignedFragments data structure # naming current conformation Frankenstein_TS4 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_1469550679.pdb -s /var/tmp/to_scwrl_1469550679.seq -o /var/tmp/from_scwrl_1469550679.pdb > /var/tmp/scwrl_1469550679.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1469550679.pdb # conformation set from SCWRL output # naming current conformation Frankenstein_TS4-scwrl # ReadConformPDB reading from PDB file servers/Frankenstein_TS5.pdb.gz looking for model 1 # naming current conformation Frankenstein_TS5 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_1344091686.pdb -s /var/tmp/to_scwrl_1344091686.seq -o /var/tmp/from_scwrl_1344091686.pdb > /var/tmp/scwrl_1344091686.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1344091686.pdb # conformation set from SCWRL output # naming current conformation Frankenstein_TS5-scwrl # ReadConformPDB reading from PDB file servers/GeneSilicoMetaServer_TS1.pdb.gz looking for model 1 # naming current conformation GeneSilicoMetaServer_TS1 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_1936499618.pdb -s /var/tmp/to_scwrl_1936499618.seq -o /var/tmp/from_scwrl_1936499618.pdb > /var/tmp/scwrl_1936499618.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1936499618.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 88 ; scwrl3 -i /var/tmp/to_scwrl_1638687299.pdb -s /var/tmp/to_scwrl_1638687299.seq -o /var/tmp/from_scwrl_1638687299.pdb > /var/tmp/scwrl_1638687299.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1638687299.pdb # conformation set from SCWRL output # naming current conformation GeneSilicoMetaServer_TS2-scwrl # ReadConformPDB reading from PDB file servers/GeneSilicoMetaServer_TS3.pdb.gz looking for model 1 # naming current conformation GeneSilicoMetaServer_TS3 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_1908655493.pdb -s /var/tmp/to_scwrl_1908655493.seq -o /var/tmp/from_scwrl_1908655493.pdb > /var/tmp/scwrl_1908655493.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1908655493.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 T0359 can't currently be optimized by undertaker # naming current conformation GeneSilicoMetaServer_TS4 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_817673950.pdb -s /var/tmp/to_scwrl_817673950.seq -o /var/tmp/from_scwrl_817673950.pdb > /var/tmp/scwrl_817673950.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_817673950.pdb # conformation set from SCWRL output # naming current conformation GeneSilicoMetaServer_TS4-scwrl # ReadConformPDB reading from PDB file servers/GeneSilicoMetaServer_TS5.pdb.gz looking for model 1 # Found a chain break before 65 # copying to AlignedFragments data structure # naming current conformation GeneSilicoMetaServer_TS5 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_1784689751.pdb -s /var/tmp/to_scwrl_1784689751.seq -o /var/tmp/from_scwrl_1784689751.pdb > /var/tmp/scwrl_1784689751.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1784689751.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 65 # copying to AlignedFragments data structure # naming current conformation HHpred1_TS1 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_971116290.pdb -s /var/tmp/to_scwrl_971116290.seq -o /var/tmp/from_scwrl_971116290.pdb > /var/tmp/scwrl_971116290.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_971116290.pdb # conformation set from SCWRL output # naming current conformation HHpred1_TS1-scwrl # ReadConformPDB reading from PDB file servers/HHpred2_TS1.pdb.gz looking for model 1 # naming current conformation HHpred2_TS1 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_1856227654.pdb -s /var/tmp/to_scwrl_1856227654.seq -o /var/tmp/from_scwrl_1856227654.pdb > /var/tmp/scwrl_1856227654.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1856227654.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 88 ; scwrl3 -i /var/tmp/to_scwrl_2068959224.pdb -s /var/tmp/to_scwrl_2068959224.seq -o /var/tmp/from_scwrl_2068959224.pdb > /var/tmp/scwrl_2068959224.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2068959224.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 T0359 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation Huber-Torda-Server_TS1 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_1547252883.pdb -s /var/tmp/to_scwrl_1547252883.seq -o /var/tmp/from_scwrl_1547252883.pdb > /var/tmp/scwrl_1547252883.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1547252883.pdb # conformation set from SCWRL output # naming current conformation Huber-Torda-Server_TS1-scwrl # ReadConformPDB reading from PDB file servers/Huber-Torda-Server_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0359 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS3 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_2084705041.pdb -s /var/tmp/to_scwrl_2084705041.seq -o /var/tmp/from_scwrl_2084705041.pdb > /var/tmp/scwrl_2084705041.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2084705041.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 T0359 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS4 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_139715224.pdb -s /var/tmp/to_scwrl_139715224.seq -o /var/tmp/from_scwrl_139715224.pdb > /var/tmp/scwrl_139715224.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_139715224.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 T0359 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS5 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_776668845.pdb -s /var/tmp/to_scwrl_776668845.seq -o /var/tmp/from_scwrl_776668845.pdb > /var/tmp/scwrl_776668845.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_776668845.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 # naming current conformation LOOPP_TS1 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_40725940.pdb -s /var/tmp/to_scwrl_40725940.seq -o /var/tmp/from_scwrl_40725940.pdb > /var/tmp/scwrl_40725940.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_40725940.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 T0359 can't currently be optimized by undertaker # naming current conformation LOOPP_TS2 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_1272485419.pdb -s /var/tmp/to_scwrl_1272485419.seq -o /var/tmp/from_scwrl_1272485419.pdb > /var/tmp/scwrl_1272485419.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1272485419.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 T0359 can't currently be optimized by undertaker # naming current conformation LOOPP_TS3 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_1817787215.pdb -s /var/tmp/to_scwrl_1817787215.seq -o /var/tmp/from_scwrl_1817787215.pdb > /var/tmp/scwrl_1817787215.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1817787215.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 T0359 can't currently be optimized by undertaker # naming current conformation LOOPP_TS4 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_699147525.pdb -s /var/tmp/to_scwrl_699147525.seq -o /var/tmp/from_scwrl_699147525.pdb > /var/tmp/scwrl_699147525.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_699147525.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 T0359 can't currently be optimized by undertaker # naming current conformation LOOPP_TS5 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_1432460306.pdb -s /var/tmp/to_scwrl_1432460306.seq -o /var/tmp/from_scwrl_1432460306.pdb > /var/tmp/scwrl_1432460306.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1432460306.pdb # conformation set from SCWRL output # naming current conformation LOOPP_TS5-scwrl # ReadConformPDB reading from PDB file servers/MIG_FROST_AL1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0359 can't currently be optimized by undertaker # naming current conformation MIG_FROST_AL1 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_1226600742.pdb -s /var/tmp/to_scwrl_1226600742.seq -o /var/tmp/from_scwrl_1226600742.pdb > /var/tmp/scwrl_1226600742.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1226600742.pdb # conformation set from SCWRL output # naming current conformation MIG_FROST_AL1-scwrl # ReadConformPDB reading from PDB file servers/Ma-OPUS-server2_TS1.pdb.gz looking for model 1 # Found a chain break before 34 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server2_TS1 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_681149763.pdb -s /var/tmp/to_scwrl_681149763.seq -o /var/tmp/from_scwrl_681149763.pdb > /var/tmp/scwrl_681149763.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_681149763.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 # Found a chain break before 34 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server2_TS2 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_1806910333.pdb -s /var/tmp/to_scwrl_1806910333.seq -o /var/tmp/from_scwrl_1806910333.pdb > /var/tmp/scwrl_1806910333.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1806910333.pdb # conformation set from SCWRL output # naming current conformation Ma-OPUS-server2_TS2-scwrl # ReadConformPDB reading from PDB file servers/Ma-OPUS-server2_TS3.pdb.gz looking for model 1 # Found a chain break before 82 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server2_TS3 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_89762478.pdb -s /var/tmp/to_scwrl_89762478.seq -o /var/tmp/from_scwrl_89762478.pdb > /var/tmp/scwrl_89762478.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_89762478.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 88 ; scwrl3 -i /var/tmp/to_scwrl_121582303.pdb -s /var/tmp/to_scwrl_121582303.seq -o /var/tmp/from_scwrl_121582303.pdb > /var/tmp/scwrl_121582303.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_121582303.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 88 ; scwrl3 -i /var/tmp/to_scwrl_487079656.pdb -s /var/tmp/to_scwrl_487079656.seq -o /var/tmp/from_scwrl_487079656.pdb > /var/tmp/scwrl_487079656.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_487079656.pdb # conformation set from SCWRL output # naming current conformation Ma-OPUS-server2_TS5-scwrl # ReadConformPDB reading from PDB file servers/Ma-OPUS-server_TS1.pdb.gz looking for model 1 # Found a chain break before 34 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS1 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_1443915236.pdb -s /var/tmp/to_scwrl_1443915236.seq -o /var/tmp/from_scwrl_1443915236.pdb > /var/tmp/scwrl_1443915236.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1443915236.pdb # conformation set from SCWRL output # naming current conformation Ma-OPUS-server_TS1-scwrl # ReadConformPDB reading from PDB file servers/Ma-OPUS-server_TS2.pdb.gz looking for model 1 # Found a chain break before 67 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS2 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_1066990874.pdb -s /var/tmp/to_scwrl_1066990874.seq -o /var/tmp/from_scwrl_1066990874.pdb > /var/tmp/scwrl_1066990874.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1066990874.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 26 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS3 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_1599974069.pdb -s /var/tmp/to_scwrl_1599974069.seq -o /var/tmp/from_scwrl_1599974069.pdb > /var/tmp/scwrl_1599974069.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1599974069.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 29 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS4 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_547743091.pdb -s /var/tmp/to_scwrl_547743091.seq -o /var/tmp/from_scwrl_547743091.pdb > /var/tmp/scwrl_547743091.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_547743091.pdb # conformation set from SCWRL output # naming current conformation Ma-OPUS-server_TS4-scwrl # ReadConformPDB reading from PDB file servers/Ma-OPUS-server_TS5.pdb.gz looking for model 1 # Found a chain break before 65 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS5 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_1081807108.pdb -s /var/tmp/to_scwrl_1081807108.seq -o /var/tmp/from_scwrl_1081807108.pdb > /var/tmp/scwrl_1081807108.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1081807108.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 94 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS1 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_1537476656.pdb -s /var/tmp/to_scwrl_1537476656.seq -o /var/tmp/from_scwrl_1537476656.pdb > /var/tmp/scwrl_1537476656.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1537476656.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 94 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS2 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_2017293770.pdb -s /var/tmp/to_scwrl_2017293770.seq -o /var/tmp/from_scwrl_2017293770.pdb > /var/tmp/scwrl_2017293770.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2017293770.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 91 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS3 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_278415148.pdb -s /var/tmp/to_scwrl_278415148.seq -o /var/tmp/from_scwrl_278415148.pdb > /var/tmp/scwrl_278415148.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_278415148.pdb # conformation set from SCWRL output # naming current conformation MetaTasser_TS3-scwrl # ReadConformPDB reading from PDB file servers/NN_PUT_lab_TS1.pdb.gz looking for model 1 # naming current conformation NN_PUT_lab_TS1 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_1326492627.pdb -s /var/tmp/to_scwrl_1326492627.seq -o /var/tmp/from_scwrl_1326492627.pdb > /var/tmp/scwrl_1326492627.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1326492627.pdb # conformation set from SCWRL output # naming current conformation NN_PUT_lab_TS1-scwrl # ReadConformPDB reading from PDB file servers/PROTINFO-AB_TS1.pdb.gz looking for model 1 # naming current conformation PROTINFO-AB_TS1 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_1508497422.pdb -s /var/tmp/to_scwrl_1508497422.seq -o /var/tmp/from_scwrl_1508497422.pdb > /var/tmp/scwrl_1508497422.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1508497422.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 88 ; scwrl3 -i /var/tmp/to_scwrl_39586995.pdb -s /var/tmp/to_scwrl_39586995.seq -o /var/tmp/from_scwrl_39586995.pdb > /var/tmp/scwrl_39586995.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_39586995.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 88 ; scwrl3 -i /var/tmp/to_scwrl_2144166577.pdb -s /var/tmp/to_scwrl_2144166577.seq -o /var/tmp/from_scwrl_2144166577.pdb > /var/tmp/scwrl_2144166577.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2144166577.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 88 ; scwrl3 -i /var/tmp/to_scwrl_1145703527.pdb -s /var/tmp/to_scwrl_1145703527.seq -o /var/tmp/from_scwrl_1145703527.pdb > /var/tmp/scwrl_1145703527.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1145703527.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 88 ; scwrl3 -i /var/tmp/to_scwrl_1010703285.pdb -s /var/tmp/to_scwrl_1010703285.seq -o /var/tmp/from_scwrl_1010703285.pdb > /var/tmp/scwrl_1010703285.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1010703285.pdb # conformation set from SCWRL output # naming current conformation PROTINFO-AB_TS5-scwrl # ReadConformPDB reading from PDB file servers/PROTINFO_TS1.pdb.gz looking for model 1 # naming current conformation PROTINFO_TS1 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_1852910584.pdb -s /var/tmp/to_scwrl_1852910584.seq -o /var/tmp/from_scwrl_1852910584.pdb > /var/tmp/scwrl_1852910584.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1852910584.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 # Found a chain break before 32 # copying to AlignedFragments data structure # naming current conformation PROTINFO_TS2 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_1067179105.pdb -s /var/tmp/to_scwrl_1067179105.seq -o /var/tmp/from_scwrl_1067179105.pdb > /var/tmp/scwrl_1067179105.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1067179105.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 32 # copying to AlignedFragments data structure # naming current conformation PROTINFO_TS3 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_410472521.pdb -s /var/tmp/to_scwrl_410472521.seq -o /var/tmp/from_scwrl_410472521.pdb > /var/tmp/scwrl_410472521.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_410472521.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 42 # copying to AlignedFragments data structure # naming current conformation PROTINFO_TS4 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_1790131978.pdb -s /var/tmp/to_scwrl_1790131978.seq -o /var/tmp/from_scwrl_1790131978.pdb > /var/tmp/scwrl_1790131978.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1790131978.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 # naming current conformation PROTINFO_TS5 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_1206894328.pdb -s /var/tmp/to_scwrl_1206894328.seq -o /var/tmp/from_scwrl_1206894328.pdb > /var/tmp/scwrl_1206894328.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1206894328.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 T0359 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation Pcons6_TS1 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_1187141366.pdb -s /var/tmp/to_scwrl_1187141366.seq -o /var/tmp/from_scwrl_1187141366.pdb > /var/tmp/scwrl_1187141366.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1187141366.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 T0359 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation Pcons6_TS2 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_1830857918.pdb -s /var/tmp/to_scwrl_1830857918.seq -o /var/tmp/from_scwrl_1830857918.pdb > /var/tmp/scwrl_1830857918.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1830857918.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 T0359 can't currently be optimized by undertaker # naming current conformation Pcons6_TS3 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_331896102.pdb -s /var/tmp/to_scwrl_331896102.seq -o /var/tmp/from_scwrl_331896102.pdb > /var/tmp/scwrl_331896102.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_331896102.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 T0359 can't currently be optimized by undertaker # naming current conformation Pcons6_TS4 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_857444935.pdb -s /var/tmp/to_scwrl_857444935.seq -o /var/tmp/from_scwrl_857444935.pdb > /var/tmp/scwrl_857444935.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_857444935.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 T0359 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation Pcons6_TS5 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_382521797.pdb -s /var/tmp/to_scwrl_382521797.seq -o /var/tmp/from_scwrl_382521797.pdb > /var/tmp/scwrl_382521797.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_382521797.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 T0359 can't currently be optimized by undertaker # naming current conformation Phyre-1_TS1 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_1764356408.pdb -s /var/tmp/to_scwrl_1764356408.seq -o /var/tmp/from_scwrl_1764356408.pdb > /var/tmp/scwrl_1764356408.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1764356408.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 # WARNING: incomplete conformation T0359 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation Phyre-2_TS1 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_2084045678.pdb -s /var/tmp/to_scwrl_2084045678.seq -o /var/tmp/from_scwrl_2084045678.pdb > /var/tmp/scwrl_2084045678.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2084045678.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 # WARNING: incomplete conformation T0359 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation Phyre-2_TS2 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_1063671560.pdb -s /var/tmp/to_scwrl_1063671560.seq -o /var/tmp/from_scwrl_1063671560.pdb > /var/tmp/scwrl_1063671560.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1063671560.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 # WARNING: incomplete conformation T0359 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation Phyre-2_TS3 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_1423783094.pdb -s /var/tmp/to_scwrl_1423783094.seq -o /var/tmp/from_scwrl_1423783094.pdb > /var/tmp/scwrl_1423783094.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1423783094.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 # WARNING: incomplete conformation T0359 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation Phyre-2_TS4 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_26324509.pdb -s /var/tmp/to_scwrl_26324509.seq -o /var/tmp/from_scwrl_26324509.pdb > /var/tmp/scwrl_26324509.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_26324509.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 # WARNING: incomplete conformation T0359 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation Phyre-2_TS5 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_1185253862.pdb -s /var/tmp/to_scwrl_1185253862.seq -o /var/tmp/from_scwrl_1185253862.pdb > /var/tmp/scwrl_1185253862.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1185253862.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 # Found a chain break before 31 # copying to AlignedFragments data structure # naming current conformation Pmodeller6_TS1 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_1910862751.pdb -s /var/tmp/to_scwrl_1910862751.seq -o /var/tmp/from_scwrl_1910862751.pdb > /var/tmp/scwrl_1910862751.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1910862751.pdb # conformation set from SCWRL output # naming current conformation Pmodeller6_TS1-scwrl # ReadConformPDB reading from PDB file servers/Pmodeller6_TS2.pdb.gz looking for model 1 # naming current conformation Pmodeller6_TS2 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_1470239745.pdb -s /var/tmp/to_scwrl_1470239745.seq -o /var/tmp/from_scwrl_1470239745.pdb > /var/tmp/scwrl_1470239745.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1470239745.pdb # conformation set from SCWRL output # naming current conformation Pmodeller6_TS2-scwrl # ReadConformPDB reading from PDB file servers/Pmodeller6_TS3.pdb.gz looking for model 1 # naming current conformation Pmodeller6_TS3 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_104761089.pdb -s /var/tmp/to_scwrl_104761089.seq -o /var/tmp/from_scwrl_104761089.pdb > /var/tmp/scwrl_104761089.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_104761089.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 T0359 can't currently be optimized by undertaker # naming current conformation Pmodeller6_TS4 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_1363353173.pdb -s /var/tmp/to_scwrl_1363353173.seq -o /var/tmp/from_scwrl_1363353173.pdb > /var/tmp/scwrl_1363353173.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1363353173.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 # WARNING: incomplete conformation T0359 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation Pmodeller6_TS5 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_2017982837.pdb -s /var/tmp/to_scwrl_2017982837.seq -o /var/tmp/from_scwrl_2017982837.pdb > /var/tmp/scwrl_2017982837.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2017982837.pdb # conformation set from SCWRL output # naming current conformation Pmodeller6_TS5-scwrl # ReadConformPDB reading from PDB file servers/RAPTOR-ACE_TS1.pdb.gz looking for model 1 # Found a chain break before 67 # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS1 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_1186568198.pdb -s /var/tmp/to_scwrl_1186568198.seq -o /var/tmp/from_scwrl_1186568198.pdb > /var/tmp/scwrl_1186568198.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1186568198.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 88 ; scwrl3 -i /var/tmp/to_scwrl_753346183.pdb -s /var/tmp/to_scwrl_753346183.seq -o /var/tmp/from_scwrl_753346183.pdb > /var/tmp/scwrl_753346183.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_753346183.pdb # conformation set from SCWRL output # naming current conformation RAPTOR-ACE_TS2-scwrl # ReadConformPDB reading from PDB file servers/RAPTOR-ACE_TS3.pdb.gz looking for model 1 # Found a chain break before 65 # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS3 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_1887792960.pdb -s /var/tmp/to_scwrl_1887792960.seq -o /var/tmp/from_scwrl_1887792960.pdb > /var/tmp/scwrl_1887792960.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1887792960.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 65 # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS4 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_1464983346.pdb -s /var/tmp/to_scwrl_1464983346.seq -o /var/tmp/from_scwrl_1464983346.pdb > /var/tmp/scwrl_1464983346.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1464983346.pdb # conformation set from SCWRL output # naming current conformation RAPTOR-ACE_TS4-scwrl # ReadConformPDB reading from PDB file servers/RAPTOR-ACE_TS5.pdb.gz looking for model 1 # naming current conformation RAPTOR-ACE_TS5 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_2079838811.pdb -s /var/tmp/to_scwrl_2079838811.seq -o /var/tmp/from_scwrl_2079838811.pdb > /var/tmp/scwrl_2079838811.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2079838811.pdb # conformation set from SCWRL output # naming current conformation RAPTOR-ACE_TS5-scwrl # ReadConformPDB reading from PDB file servers/RAPTORESS_TS1.pdb.gz looking for model 1 # Found a chain break before 31 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS1 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_1248806736.pdb -s /var/tmp/to_scwrl_1248806736.seq -o /var/tmp/from_scwrl_1248806736.pdb > /var/tmp/scwrl_1248806736.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1248806736.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 # naming current conformation RAPTORESS_TS2 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_1504570341.pdb -s /var/tmp/to_scwrl_1504570341.seq -o /var/tmp/from_scwrl_1504570341.pdb > /var/tmp/scwrl_1504570341.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1504570341.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 # naming current conformation RAPTORESS_TS3 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_2076521741.pdb -s /var/tmp/to_scwrl_2076521741.seq -o /var/tmp/from_scwrl_2076521741.pdb > /var/tmp/scwrl_2076521741.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2076521741.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 # naming current conformation RAPTORESS_TS4 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_247026617.pdb -s /var/tmp/to_scwrl_247026617.seq -o /var/tmp/from_scwrl_247026617.pdb > /var/tmp/scwrl_247026617.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_247026617.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 # naming current conformation RAPTORESS_TS5 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_367789979.pdb -s /var/tmp/to_scwrl_367789979.seq -o /var/tmp/from_scwrl_367789979.pdb > /var/tmp/scwrl_367789979.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_367789979.pdb # conformation set from SCWRL output # naming current conformation RAPTORESS_TS5-scwrl # ReadConformPDB reading from PDB file servers/RAPTOR_TS1.pdb.gz looking for model 1 # Found a chain break before 67 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS1 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_1781948679.pdb -s /var/tmp/to_scwrl_1781948679.seq -o /var/tmp/from_scwrl_1781948679.pdb > /var/tmp/scwrl_1781948679.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1781948679.pdb # conformation set from SCWRL output # naming current conformation RAPTOR_TS1-scwrl # ReadConformPDB reading from PDB file servers/RAPTOR_TS2.pdb.gz looking for model 1 # Found a chain break before 67 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS2 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_1314205721.pdb -s /var/tmp/to_scwrl_1314205721.seq -o /var/tmp/from_scwrl_1314205721.pdb > /var/tmp/scwrl_1314205721.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1314205721.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 67 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS3 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_778262501.pdb -s /var/tmp/to_scwrl_778262501.seq -o /var/tmp/from_scwrl_778262501.pdb > /var/tmp/scwrl_778262501.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_778262501.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 88 ; scwrl3 -i /var/tmp/to_scwrl_1424597010.pdb -s /var/tmp/to_scwrl_1424597010.seq -o /var/tmp/from_scwrl_1424597010.pdb > /var/tmp/scwrl_1424597010.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1424597010.pdb # conformation set from SCWRL output # naming current conformation RAPTOR_TS4-scwrl # ReadConformPDB reading from PDB file servers/RAPTOR_TS5.pdb.gz looking for model 1 # naming current conformation RAPTOR_TS5 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_373616404.pdb -s /var/tmp/to_scwrl_373616404.seq -o /var/tmp/from_scwrl_373616404.pdb > /var/tmp/scwrl_373616404.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_373616404.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 88 ; scwrl3 -i /var/tmp/to_scwrl_1965403867.pdb -s /var/tmp/to_scwrl_1965403867.seq -o /var/tmp/from_scwrl_1965403867.pdb > /var/tmp/scwrl_1965403867.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1965403867.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 88 ; scwrl3 -i /var/tmp/to_scwrl_1107971282.pdb -s /var/tmp/to_scwrl_1107971282.seq -o /var/tmp/from_scwrl_1107971282.pdb > /var/tmp/scwrl_1107971282.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1107971282.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 # Found a chain break before 31 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS3 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_705512506.pdb -s /var/tmp/to_scwrl_705512506.seq -o /var/tmp/from_scwrl_705512506.pdb > /var/tmp/scwrl_705512506.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_705512506.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 88 ; scwrl3 -i /var/tmp/to_scwrl_675365155.pdb -s /var/tmp/to_scwrl_675365155.seq -o /var/tmp/from_scwrl_675365155.pdb > /var/tmp/scwrl_675365155.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_675365155.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 88 ; scwrl3 -i /var/tmp/to_scwrl_1490493079.pdb -s /var/tmp/to_scwrl_1490493079.seq -o /var/tmp/from_scwrl_1490493079.pdb > /var/tmp/scwrl_1490493079.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1490493079.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 # Found a chain break before 31 # copying to AlignedFragments data structure # naming current conformation ROKKY_TS1 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_322385267.pdb -s /var/tmp/to_scwrl_322385267.seq -o /var/tmp/from_scwrl_322385267.pdb > /var/tmp/scwrl_322385267.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_322385267.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 # Found a chain break before 43 # copying to AlignedFragments data structure # naming current conformation ROKKY_TS2 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_611927186.pdb -s /var/tmp/to_scwrl_611927186.seq -o /var/tmp/from_scwrl_611927186.pdb > /var/tmp/scwrl_611927186.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_611927186.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 # Found a chain break before 66 # copying to AlignedFragments data structure # naming current conformation ROKKY_TS3 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_406680992.pdb -s /var/tmp/to_scwrl_406680992.seq -o /var/tmp/from_scwrl_406680992.pdb > /var/tmp/scwrl_406680992.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_406680992.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 # Found a chain break before 65 # copying to AlignedFragments data structure # naming current conformation ROKKY_TS4 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_1746168362.pdb -s /var/tmp/to_scwrl_1746168362.seq -o /var/tmp/from_scwrl_1746168362.pdb > /var/tmp/scwrl_1746168362.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1746168362.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 # naming current conformation ROKKY_TS5 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_638251695.pdb -s /var/tmp/to_scwrl_638251695.seq -o /var/tmp/from_scwrl_638251695.pdb > /var/tmp/scwrl_638251695.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_638251695.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 T0359 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL1 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_1591934854.pdb -s /var/tmp/to_scwrl_1591934854.seq -o /var/tmp/from_scwrl_1591934854.pdb > /var/tmp/scwrl_1591934854.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1591934854.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 Skipped atom 15, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL2.pdb.gz Skipped atom 296, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL2.pdb.gz Skipped atom 308, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL2.pdb.gz Skipped atom 310, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL2.pdb.gz Skipped atom 312, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL2.pdb.gz Skipped atom 314, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL2.pdb.gz Skipped atom 316, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL2.pdb.gz Skipped atom 318, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL2.pdb.gz Skipped atom 320, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL2.pdb.gz Skipped atom 322, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL2.pdb.gz Skipped atom 324, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL2.pdb.gz Skipped atom 326, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL2.pdb.gz Skipped atom 328, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL2.pdb.gz Skipped atom 330, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL2.pdb.gz Skipped atom 332, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL2.pdb.gz Skipped atom 334, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL2.pdb.gz # WARNING: incomplete conformation T0359 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL2 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_1509547466.pdb -s /var/tmp/to_scwrl_1509547466.seq -o /var/tmp/from_scwrl_1509547466.pdb > /var/tmp/scwrl_1509547466.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1509547466.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 T0359 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL3 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_2108491441.pdb -s /var/tmp/to_scwrl_2108491441.seq -o /var/tmp/from_scwrl_2108491441.pdb > /var/tmp/scwrl_2108491441.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2108491441.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 T0359 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL4 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_1696695943.pdb -s /var/tmp/to_scwrl_1696695943.seq -o /var/tmp/from_scwrl_1696695943.pdb > /var/tmp/scwrl_1696695943.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1696695943.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 T0359 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL5 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_725416993.pdb -s /var/tmp/to_scwrl_725416993.seq -o /var/tmp/from_scwrl_725416993.pdb > /var/tmp/scwrl_725416993.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_725416993.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 Skipped atom 7, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL1.pdb.gz Skipped atom 320, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL1.pdb.gz # WARNING: incomplete conformation T0359 can't currently be optimized by undertaker # naming current conformation SAM-T99_AL1 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_1978990631.pdb -s /var/tmp/to_scwrl_1978990631.seq -o /var/tmp/from_scwrl_1978990631.pdb > /var/tmp/scwrl_1978990631.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1978990631.pdb # conformation set from SCWRL output # naming current conformation SAM-T99_AL1-scwrl # ReadConformPDB reading from PDB file servers/SAM-T99_AL2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0359 can't currently be optimized by undertaker # naming current conformation SAM-T99_AL2 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_735780495.pdb -s /var/tmp/to_scwrl_735780495.seq -o /var/tmp/from_scwrl_735780495.pdb > /var/tmp/scwrl_735780495.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_735780495.pdb # conformation set from SCWRL output # naming current conformation SAM-T99_AL2-scwrl # ReadConformPDB reading from PDB file servers/SAM-T99_AL3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0359 can't currently be optimized by undertaker # naming current conformation SAM-T99_AL3 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_1478763175.pdb -s /var/tmp/to_scwrl_1478763175.seq -o /var/tmp/from_scwrl_1478763175.pdb > /var/tmp/scwrl_1478763175.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1478763175.pdb # conformation set from SCWRL output # naming current conformation SAM-T99_AL3-scwrl # ReadConformPDB reading from PDB file servers/SAM-T99_AL4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0359 can't currently be optimized by undertaker # naming current conformation SAM-T99_AL4 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_1719299944.pdb -s /var/tmp/to_scwrl_1719299944.seq -o /var/tmp/from_scwrl_1719299944.pdb > /var/tmp/scwrl_1719299944.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1719299944.pdb # conformation set from SCWRL output # naming current conformation SAM-T99_AL4-scwrl # ReadConformPDB reading from PDB file servers/SAM-T99_AL5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0359 can't currently be optimized by undertaker # naming current conformation SAM-T99_AL5 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_53280195.pdb -s /var/tmp/to_scwrl_53280195.seq -o /var/tmp/from_scwrl_53280195.pdb > /var/tmp/scwrl_53280195.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_53280195.pdb # conformation set from SCWRL output # naming current conformation SAM-T99_AL5-scwrl # ReadConformPDB reading from PDB file servers/SAM_T06_server_TS1.pdb.gz looking for model 1 # Found a chain break before 95 # copying to AlignedFragments data structure # naming current conformation SAM_T06_server_TS1 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_1411118339.pdb -s /var/tmp/to_scwrl_1411118339.seq -o /var/tmp/from_scwrl_1411118339.pdb > /var/tmp/scwrl_1411118339.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1411118339.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 T0359 can't currently be optimized by undertaker # naming current conformation SAM_T06_server_TS2 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_820623034.pdb -s /var/tmp/to_scwrl_820623034.seq -o /var/tmp/from_scwrl_820623034.pdb > /var/tmp/scwrl_820623034.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_820623034.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 T0359 can't currently be optimized by undertaker # naming current conformation SAM_T06_server_TS3 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_1557850536.pdb -s /var/tmp/to_scwrl_1557850536.seq -o /var/tmp/from_scwrl_1557850536.pdb > /var/tmp/scwrl_1557850536.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1557850536.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 T0359 can't currently be optimized by undertaker # naming current conformation SAM_T06_server_TS4 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_1340156434.pdb -s /var/tmp/to_scwrl_1340156434.seq -o /var/tmp/from_scwrl_1340156434.pdb > /var/tmp/scwrl_1340156434.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1340156434.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 T0359 can't currently be optimized by undertaker # naming current conformation SAM_T06_server_TS5 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_1067649651.pdb -s /var/tmp/to_scwrl_1067649651.seq -o /var/tmp/from_scwrl_1067649651.pdb > /var/tmp/scwrl_1067649651.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1067649651.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 88 ; scwrl3 -i /var/tmp/to_scwrl_1925640516.pdb -s /var/tmp/to_scwrl_1925640516.seq -o /var/tmp/from_scwrl_1925640516.pdb > /var/tmp/scwrl_1925640516.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1925640516.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 33 # copying to AlignedFragments data structure # naming current conformation SP3_TS2 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_974621467.pdb -s /var/tmp/to_scwrl_974621467.seq -o /var/tmp/from_scwrl_974621467.pdb > /var/tmp/scwrl_974621467.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_974621467.pdb # conformation set from SCWRL output # naming current conformation SP3_TS2-scwrl # ReadConformPDB reading from PDB file servers/SP3_TS3.pdb.gz looking for model 1 # naming current conformation SP3_TS3 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_234371726.pdb -s /var/tmp/to_scwrl_234371726.seq -o /var/tmp/from_scwrl_234371726.pdb > /var/tmp/scwrl_234371726.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_234371726.pdb # conformation set from SCWRL output # naming current conformation SP3_TS3-scwrl # ReadConformPDB reading from PDB file servers/SP3_TS4.pdb.gz looking for model 1 # Found a chain break before 84 # copying to AlignedFragments data structure # naming current conformation SP3_TS4 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_556419370.pdb -s /var/tmp/to_scwrl_556419370.seq -o /var/tmp/from_scwrl_556419370.pdb > /var/tmp/scwrl_556419370.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_556419370.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 # Found a chain break before 80 # copying to AlignedFragments data structure # naming current conformation SP3_TS5 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_251734830.pdb -s /var/tmp/to_scwrl_251734830.seq -o /var/tmp/from_scwrl_251734830.pdb > /var/tmp/scwrl_251734830.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_251734830.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 88 ; scwrl3 -i /var/tmp/to_scwrl_607988130.pdb -s /var/tmp/to_scwrl_607988130.seq -o /var/tmp/from_scwrl_607988130.pdb > /var/tmp/scwrl_607988130.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_607988130.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 84 # copying to AlignedFragments data structure # naming current conformation SP4_TS2 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_374339590.pdb -s /var/tmp/to_scwrl_374339590.seq -o /var/tmp/from_scwrl_374339590.pdb > /var/tmp/scwrl_374339590.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_374339590.pdb # conformation set from SCWRL output # naming current conformation SP4_TS2-scwrl # ReadConformPDB reading from PDB file servers/SP4_TS3.pdb.gz looking for model 1 # Found a chain break before 65 # copying to AlignedFragments data structure # naming current conformation SP4_TS3 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_1359706112.pdb -s /var/tmp/to_scwrl_1359706112.seq -o /var/tmp/from_scwrl_1359706112.pdb > /var/tmp/scwrl_1359706112.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1359706112.pdb # conformation set from SCWRL output # naming current conformation SP4_TS3-scwrl # ReadConformPDB reading from PDB file servers/SP4_TS4.pdb.gz looking for model 1 # Found a chain break before 80 # copying to AlignedFragments data structure # naming current conformation SP4_TS4 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_1313500635.pdb -s /var/tmp/to_scwrl_1313500635.seq -o /var/tmp/from_scwrl_1313500635.pdb > /var/tmp/scwrl_1313500635.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1313500635.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 88 ; scwrl3 -i /var/tmp/to_scwrl_1049704745.pdb -s /var/tmp/to_scwrl_1049704745.seq -o /var/tmp/from_scwrl_1049704745.pdb > /var/tmp/scwrl_1049704745.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1049704745.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 31 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS1 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_702715545.pdb -s /var/tmp/to_scwrl_702715545.seq -o /var/tmp/from_scwrl_702715545.pdb > /var/tmp/scwrl_702715545.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_702715545.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 84 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS2 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_1635885902.pdb -s /var/tmp/to_scwrl_1635885902.seq -o /var/tmp/from_scwrl_1635885902.pdb > /var/tmp/scwrl_1635885902.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1635885902.pdb # conformation set from SCWRL output # naming current conformation SPARKS2_TS2-scwrl # ReadConformPDB reading from PDB file servers/SPARKS2_TS3.pdb.gz looking for model 1 # Found a chain break before 65 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS3 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_1661631931.pdb -s /var/tmp/to_scwrl_1661631931.seq -o /var/tmp/from_scwrl_1661631931.pdb > /var/tmp/scwrl_1661631931.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1661631931.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 88 ; scwrl3 -i /var/tmp/to_scwrl_1109396536.pdb -s /var/tmp/to_scwrl_1109396536.seq -o /var/tmp/from_scwrl_1109396536.pdb > /var/tmp/scwrl_1109396536.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1109396536.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 65 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS5 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_1234570617.pdb -s /var/tmp/to_scwrl_1234570617.seq -o /var/tmp/from_scwrl_1234570617.pdb > /var/tmp/scwrl_1234570617.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1234570617.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 T0359 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation UNI-EID_bnmx_TS1 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_152399979.pdb -s /var/tmp/to_scwrl_152399979.seq -o /var/tmp/from_scwrl_152399979.pdb > /var/tmp/scwrl_152399979.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_152399979.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 T0359 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation UNI-EID_bnmx_TS2 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_553847744.pdb -s /var/tmp/to_scwrl_553847744.seq -o /var/tmp/from_scwrl_553847744.pdb > /var/tmp/scwrl_553847744.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_553847744.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 T0359 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS3 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_596634437.pdb -s /var/tmp/to_scwrl_596634437.seq -o /var/tmp/from_scwrl_596634437.pdb > /var/tmp/scwrl_596634437.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_596634437.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 T0359 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation UNI-EID_bnmx_TS4 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_113407773.pdb -s /var/tmp/to_scwrl_113407773.seq -o /var/tmp/from_scwrl_113407773.pdb > /var/tmp/scwrl_113407773.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_113407773.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 T0359 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS5 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_103060041.pdb -s /var/tmp/to_scwrl_103060041.seq -o /var/tmp/from_scwrl_103060041.pdb > /var/tmp/scwrl_103060041.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_103060041.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 T0359 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation UNI-EID_expm_TS1 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_1322051429.pdb -s /var/tmp/to_scwrl_1322051429.seq -o /var/tmp/from_scwrl_1322051429.pdb > /var/tmp/scwrl_1322051429.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1322051429.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 Skipped atom 11, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL1.pdb.gz Skipped atom 364, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL1.pdb.gz # WARNING: incomplete conformation T0359 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation UNI-EID_sfst_AL1 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_2092398404.pdb -s /var/tmp/to_scwrl_2092398404.seq -o /var/tmp/from_scwrl_2092398404.pdb > /var/tmp/scwrl_2092398404.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2092398404.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 T0359 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation UNI-EID_sfst_AL2 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_838840536.pdb -s /var/tmp/to_scwrl_838840536.seq -o /var/tmp/from_scwrl_838840536.pdb > /var/tmp/scwrl_838840536.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_838840536.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 T0359 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL3 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_653330959.pdb -s /var/tmp/to_scwrl_653330959.seq -o /var/tmp/from_scwrl_653330959.pdb > /var/tmp/scwrl_653330959.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_653330959.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 T0359 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation UNI-EID_sfst_AL4 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_1664214702.pdb -s /var/tmp/to_scwrl_1664214702.seq -o /var/tmp/from_scwrl_1664214702.pdb > /var/tmp/scwrl_1664214702.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1664214702.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 T0359 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL5 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_892120731.pdb -s /var/tmp/to_scwrl_892120731.seq -o /var/tmp/from_scwrl_892120731.pdb > /var/tmp/scwrl_892120731.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_892120731.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 32 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS1 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_2064449298.pdb -s /var/tmp/to_scwrl_2064449298.seq -o /var/tmp/from_scwrl_2064449298.pdb > /var/tmp/scwrl_2064449298.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2064449298.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 93 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS2 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_337354089.pdb -s /var/tmp/to_scwrl_337354089.seq -o /var/tmp/from_scwrl_337354089.pdb > /var/tmp/scwrl_337354089.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_337354089.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 66 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS3 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_302487621.pdb -s /var/tmp/to_scwrl_302487621.seq -o /var/tmp/from_scwrl_302487621.pdb > /var/tmp/scwrl_302487621.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_302487621.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 # naming current conformation Zhang-Server_TS4 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_1257122085.pdb -s /var/tmp/to_scwrl_1257122085.seq -o /var/tmp/from_scwrl_1257122085.pdb > /var/tmp/scwrl_1257122085.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1257122085.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 51 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS5 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_1405003740.pdb -s /var/tmp/to_scwrl_1405003740.seq -o /var/tmp/from_scwrl_1405003740.pdb > /var/tmp/scwrl_1405003740.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1405003740.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 95 # copying to AlignedFragments data structure # naming current conformation beautshot_TS1 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_80644490.pdb -s /var/tmp/to_scwrl_80644490.seq -o /var/tmp/from_scwrl_80644490.pdb > /var/tmp/scwrl_80644490.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_80644490.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 T0359 can't currently be optimized by undertaker # naming current conformation beautshotbase_TS1 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_84259905.pdb -s /var/tmp/to_scwrl_84259905.seq -o /var/tmp/from_scwrl_84259905.pdb > /var/tmp/scwrl_84259905.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_84259905.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 T0359 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 88 ; scwrl3 -i /var/tmp/to_scwrl_1639375466.pdb -s /var/tmp/to_scwrl_1639375466.seq -o /var/tmp/from_scwrl_1639375466.pdb > /var/tmp/scwrl_1639375466.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1639375466.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 T0359 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation forecast-s_AL2 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_637063860.pdb -s /var/tmp/to_scwrl_637063860.seq -o /var/tmp/from_scwrl_637063860.pdb > /var/tmp/scwrl_637063860.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_637063860.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 T0359 can't currently be optimized by undertaker # naming current conformation forecast-s_AL3 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_335994736.pdb -s /var/tmp/to_scwrl_335994736.seq -o /var/tmp/from_scwrl_335994736.pdb > /var/tmp/scwrl_335994736.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_335994736.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 T0359 can't currently be optimized by undertaker # naming current conformation forecast-s_AL4 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_99879949.pdb -s /var/tmp/to_scwrl_99879949.seq -o /var/tmp/from_scwrl_99879949.pdb > /var/tmp/scwrl_99879949.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_99879949.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 T0359 can't currently be optimized by undertaker # naming current conformation forecast-s_AL5 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_1011403450.pdb -s /var/tmp/to_scwrl_1011403450.seq -o /var/tmp/from_scwrl_1011403450.pdb > /var/tmp/scwrl_1011403450.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1011403450.pdb # conformation set from SCWRL output # naming current conformation forecast-s_AL5-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv.2_TS1.pdb.gz looking for model 1 # Found a chain break before 23 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS1 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_1695700848.pdb -s /var/tmp/to_scwrl_1695700848.seq -o /var/tmp/from_scwrl_1695700848.pdb > /var/tmp/scwrl_1695700848.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1695700848.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 24 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS2 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_1413380584.pdb -s /var/tmp/to_scwrl_1413380584.seq -o /var/tmp/from_scwrl_1413380584.pdb > /var/tmp/scwrl_1413380584.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1413380584.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 # Found a chain break before 24 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS3 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_2061108194.pdb -s /var/tmp/to_scwrl_2061108194.seq -o /var/tmp/from_scwrl_2061108194.pdb > /var/tmp/scwrl_2061108194.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2061108194.pdb # conformation set from SCWRL output # naming current conformation karypis.srv.2_TS3-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv.2_TS4.pdb.gz looking for model 1 # naming current conformation karypis.srv.2_TS4 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_250932747.pdb -s /var/tmp/to_scwrl_250932747.seq -o /var/tmp/from_scwrl_250932747.pdb > /var/tmp/scwrl_250932747.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_250932747.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 31 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS5 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_901782840.pdb -s /var/tmp/to_scwrl_901782840.seq -o /var/tmp/from_scwrl_901782840.pdb > /var/tmp/scwrl_901782840.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_901782840.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 95 # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS1 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_1575256478.pdb -s /var/tmp/to_scwrl_1575256478.seq -o /var/tmp/from_scwrl_1575256478.pdb > /var/tmp/scwrl_1575256478.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1575256478.pdb # conformation set from SCWRL output # naming current conformation karypis.srv.4_TS1-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv.4_TS2.pdb.gz looking for model 1 WARNING: atoms too close: (T0359)M90.O and (T0359)R91.N only 0.000 apart, marking (T0359)R91.N as missing # WARNING: incomplete conformation T0359 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS2 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_1360329283.pdb -s /var/tmp/to_scwrl_1360329283.seq -o /var/tmp/from_scwrl_1360329283.pdb > /var/tmp/scwrl_1360329283.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1360329283.pdb # conformation set from SCWRL output # naming current conformation karypis.srv.4_TS2-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv.4_TS3.pdb.gz looking for model 1 # Found a chain break before 94 # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS3 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_2136353458.pdb -s /var/tmp/to_scwrl_2136353458.seq -o /var/tmp/from_scwrl_2136353458.pdb > /var/tmp/scwrl_2136353458.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2136353458.pdb # conformation set from SCWRL output # naming current conformation karypis.srv.4_TS3-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv.4_TS4.pdb.gz looking for model 1 WARNING: atoms too close: (T0359)T11.O and (T0359)K12.N only 0.000 apart, marking (T0359)K12.N as missing # WARNING: incomplete conformation T0359 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS4 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_1727656458.pdb -s /var/tmp/to_scwrl_1727656458.seq -o /var/tmp/from_scwrl_1727656458.pdb > /var/tmp/scwrl_1727656458.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1727656458.pdb # conformation set from SCWRL output # naming current conformation karypis.srv.4_TS4-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv.4_TS5.pdb.gz looking for model 1 # Found a chain break before 95 # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS5 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_1914177028.pdb -s /var/tmp/to_scwrl_1914177028.seq -o /var/tmp/from_scwrl_1914177028.pdb > /var/tmp/scwrl_1914177028.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1914177028.pdb # conformation set from SCWRL output # naming current conformation karypis.srv.4_TS5-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0359 can't currently be optimized by undertaker # naming current conformation karypis.srv_TS1 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_585504248.pdb -s /var/tmp/to_scwrl_585504248.seq -o /var/tmp/from_scwrl_585504248.pdb > /var/tmp/scwrl_585504248.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_585504248.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 T0359 can't currently be optimized by undertaker # naming current conformation karypis.srv_TS2 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_1841064231.pdb -s /var/tmp/to_scwrl_1841064231.seq -o /var/tmp/from_scwrl_1841064231.pdb > /var/tmp/scwrl_1841064231.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1841064231.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 T0359 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation karypis.srv_TS3 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_2017237069.pdb -s /var/tmp/to_scwrl_2017237069.seq -o /var/tmp/from_scwrl_2017237069.pdb > /var/tmp/scwrl_2017237069.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2017237069.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 T0359 can't currently be optimized by undertaker # naming current conformation karypis.srv_TS4 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_1907555678.pdb -s /var/tmp/to_scwrl_1907555678.seq -o /var/tmp/from_scwrl_1907555678.pdb > /var/tmp/scwrl_1907555678.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1907555678.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 T0359 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation karypis.srv_TS5 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_1785978989.pdb -s /var/tmp/to_scwrl_1785978989.seq -o /var/tmp/from_scwrl_1785978989.pdb > /var/tmp/scwrl_1785978989.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1785978989.pdb # conformation set from SCWRL output # naming current conformation karypis.srv_TS5-scwrl # ReadConformPDB reading from PDB file servers/keasar-server_TS1.pdb.gz looking for model 1 # Found a chain break before 87 # copying to AlignedFragments data structure # naming current conformation keasar-server_TS1 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_708593958.pdb -s /var/tmp/to_scwrl_708593958.seq -o /var/tmp/from_scwrl_708593958.pdb > /var/tmp/scwrl_708593958.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_708593958.pdb # conformation set from SCWRL output # naming current conformation keasar-server_TS1-scwrl # ReadConformPDB reading from PDB file servers/keasar-server_TS2.pdb.gz looking for model 1 # Found a chain break before 87 # copying to AlignedFragments data structure # naming current conformation keasar-server_TS2 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_413402990.pdb -s /var/tmp/to_scwrl_413402990.seq -o /var/tmp/from_scwrl_413402990.pdb > /var/tmp/scwrl_413402990.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_413402990.pdb # conformation set from SCWRL output # naming current conformation keasar-server_TS2-scwrl # ReadConformPDB reading from PDB file servers/keasar-server_TS3.pdb.gz looking for model 1 # Found a chain break before 87 # copying to AlignedFragments data structure # naming current conformation keasar-server_TS3 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_1302710044.pdb -s /var/tmp/to_scwrl_1302710044.seq -o /var/tmp/from_scwrl_1302710044.pdb > /var/tmp/scwrl_1302710044.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1302710044.pdb # conformation set from SCWRL output # naming current conformation keasar-server_TS3-scwrl # ReadConformPDB reading from PDB file servers/keasar-server_TS4.pdb.gz looking for model 1 # Found a chain break before 89 # copying to AlignedFragments data structure # naming current conformation keasar-server_TS4 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_1600714689.pdb -s /var/tmp/to_scwrl_1600714689.seq -o /var/tmp/from_scwrl_1600714689.pdb > /var/tmp/scwrl_1600714689.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1600714689.pdb # conformation set from SCWRL output # naming current conformation keasar-server_TS4-scwrl # ReadConformPDB reading from PDB file servers/keasar-server_TS5.pdb.gz looking for model 1 # Found a chain break before 89 # copying to AlignedFragments data structure # naming current conformation keasar-server_TS5 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_330368641.pdb -s /var/tmp/to_scwrl_330368641.seq -o /var/tmp/from_scwrl_330368641.pdb > /var/tmp/scwrl_330368641.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_330368641.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 T0359 can't currently be optimized by undertaker # naming current conformation mGen-3D_TS1 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_1640064133.pdb -s /var/tmp/to_scwrl_1640064133.seq -o /var/tmp/from_scwrl_1640064133.pdb > /var/tmp/scwrl_1640064133.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1640064133.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 T0359 can't currently be optimized by undertaker # naming current conformation nFOLD_TS1 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_1903202310.pdb -s /var/tmp/to_scwrl_1903202310.seq -o /var/tmp/from_scwrl_1903202310.pdb > /var/tmp/scwrl_1903202310.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1903202310.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 T0359 can't currently be optimized by undertaker # naming current conformation nFOLD_TS2 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_1587490727.pdb -s /var/tmp/to_scwrl_1587490727.seq -o /var/tmp/from_scwrl_1587490727.pdb > /var/tmp/scwrl_1587490727.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1587490727.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 T0359 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation nFOLD_TS3 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_897584227.pdb -s /var/tmp/to_scwrl_897584227.seq -o /var/tmp/from_scwrl_897584227.pdb > /var/tmp/scwrl_897584227.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_897584227.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 T0359 can't currently be optimized by undertaker # naming current conformation nFOLD_TS4 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_1983846800.pdb -s /var/tmp/to_scwrl_1983846800.seq -o /var/tmp/from_scwrl_1983846800.pdb > /var/tmp/scwrl_1983846800.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1983846800.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 T0359 can't currently be optimized by undertaker # naming current conformation nFOLD_TS5 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_1671750632.pdb -s /var/tmp/to_scwrl_1671750632.seq -o /var/tmp/from_scwrl_1671750632.pdb > /var/tmp/scwrl_1671750632.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1671750632.pdb # conformation set from SCWRL output # naming current conformation nFOLD_TS5-scwrl # ReadConformPDB reading from PDB file servers/panther2_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0359 can't currently be optimized by undertaker # naming current conformation panther2_TS1 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_389476046.pdb -s /var/tmp/to_scwrl_389476046.seq -o /var/tmp/from_scwrl_389476046.pdb > /var/tmp/scwrl_389476046.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_389476046.pdb # conformation set from SCWRL output # naming current conformation panther2_TS1-scwrl # ReadConformPDB reading from PDB file servers/shub_TS1.pdb.gz looking for model 1 # Found a chain break before 95 # copying to AlignedFragments data structure # naming current conformation shub_TS1 # request to SCWRL produces command: ulimit -t 88 ; scwrl3 -i /var/tmp/to_scwrl_473427013.pdb -s /var/tmp/to_scwrl_473427013.seq -o /var/tmp/from_scwrl_473427013.pdb > /var/tmp/scwrl_473427013.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_473427013.pdb # conformation set from SCWRL output # naming current conformation shub_TS1-scwrl # command:CPU_time= 37.709 sec, elapsed time= 223.781 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 63.146 real_cost = -161.610 shub_TS1 costs 63.146 real_cost = -168.370 panther2_TS1-scwrl costs 84.696 real_cost = -37.614 panther2_TS1 costs 84.674 real_cost = -27.220 nFOLD_TS5-scwrl costs 57.743 real_cost = -162.072 nFOLD_TS5 costs 57.730 real_cost = -109.389 nFOLD_TS4-scwrl costs 57.279 real_cost = -89.182 nFOLD_TS4 costs 57.227 real_cost = -58.024 nFOLD_TS3-scwrl costs 61.741 real_cost = -54.618 nFOLD_TS3 costs 61.741 real_cost = -57.338 nFOLD_TS2-scwrl costs 54.875 real_cost = -192.918 nFOLD_TS2 costs 54.777 real_cost = -162.391 nFOLD_TS1-scwrl costs 70.218 real_cost = -178.728 nFOLD_TS1 costs 70.410 real_cost = -131.518 mGen-3D_TS1-scwrl costs 59.935 real_cost = -149.184 mGen-3D_TS1 costs 59.922 real_cost = -97.976 keasar-server_TS5-scwrl costs 56.389 real_cost = -164.303 keasar-server_TS5 costs 56.389 real_cost = -154.054 keasar-server_TS4-scwrl costs 59.906 real_cost = -151.901 keasar-server_TS4 costs 59.906 real_cost = -162.853 keasar-server_TS3-scwrl costs 76.236 real_cost = -80.362 keasar-server_TS3 costs 76.236 real_cost = -75.690 keasar-server_TS2-scwrl costs 79.684 real_cost = -111.704 keasar-server_TS2 costs 79.684 real_cost = -85.802 keasar-server_TS1-scwrl costs 79.684 real_cost = -111.704 keasar-server_TS1 costs 79.684 real_cost = -85.802 karypis.srv_TS5-scwrl costs 74.460 real_cost = -7.627 karypis.srv_TS5 costs 74.460 real_cost = -7.629 karypis.srv_TS4-scwrl costs 55.140 real_cost = -103.301 karypis.srv_TS4 costs 55.125 real_cost = -111.878 karypis.srv_TS3-scwrl costs 61.053 real_cost = -99.595 karypis.srv_TS3 costs 61.053 real_cost = -99.543 karypis.srv_TS2-scwrl costs 60.678 real_cost = -176.183 karypis.srv_TS2 costs 60.702 real_cost = -177.371 karypis.srv_TS1-scwrl costs 65.303 real_cost = -117.642 karypis.srv_TS1 costs 65.304 real_cost = -117.437 karypis.srv.4_TS5-scwrl costs 169.276 real_cost = 280.600 karypis.srv.4_TS5 costs 169.276 real_cost = 280.600 karypis.srv.4_TS4-scwrl costs 129.451 real_cost = 295.698 karypis.srv.4_TS4 costs 129.451 real_cost = 295.698 karypis.srv.4_TS3-scwrl costs 126.839 real_cost = 303.038 karypis.srv.4_TS3 costs 126.839 real_cost = 303.038 karypis.srv.4_TS2-scwrl costs 141.119 real_cost = 267.091 karypis.srv.4_TS2 costs 141.119 real_cost = 269.289 karypis.srv.4_TS1-scwrl costs 136.988 real_cost = 259.033 karypis.srv.4_TS1 costs 136.988 real_cost = 259.033 karypis.srv.2_TS5-scwrl costs 49.025 real_cost = -188.135 karypis.srv.2_TS5 costs 49.025 real_cost = -188.135 karypis.srv.2_TS4-scwrl costs 49.922 real_cost = -124.922 karypis.srv.2_TS4 costs 49.922 real_cost = -124.922 karypis.srv.2_TS3-scwrl costs 62.197 real_cost = -97.933 karypis.srv.2_TS3 costs 62.197 real_cost = -97.933 karypis.srv.2_TS2-scwrl costs 71.815 real_cost = -42.687 karypis.srv.2_TS2 costs 71.815 real_cost = -42.687 karypis.srv.2_TS1-scwrl costs 75.377 real_cost = -39.497 karypis.srv.2_TS1 costs 75.377 real_cost = -39.497 forecast-s_AL5-scwrl costs 64.121 real_cost = -57.047 forecast-s_AL5 costs 64.100 real_cost = -38.128 forecast-s_AL4-scwrl costs 58.103 real_cost = -122.094 forecast-s_AL4 costs 57.929 real_cost = -81.894 forecast-s_AL3-scwrl costs 56.960 real_cost = -162.009 forecast-s_AL3 costs 56.948 real_cost = -92.679 forecast-s_AL2-scwrl costs 88.593 real_cost = 104.794 forecast-s_AL2 costs 88.593 real_cost = 109.263 forecast-s_AL1-scwrl costs 62.637 real_cost = -85.350 forecast-s_AL1 costs 62.637 real_cost = -44.639 beautshotbase_TS1-scwrl costs 65.561 real_cost = -170.211 beautshotbase_TS1 costs 65.572 real_cost = -169.474 beautshot_TS1-scwrl costs 68.991 real_cost = -168.643 beautshot_TS1 costs 68.991 real_cost = -167.056 Zhang-Server_TS5-scwrl costs 49.661 real_cost = -195.483 Zhang-Server_TS5 costs 49.661 real_cost = -195.483 Zhang-Server_TS4-scwrl costs 48.873 real_cost = -205.556 Zhang-Server_TS4 costs 48.873 real_cost = -205.556 Zhang-Server_TS3-scwrl costs 47.281 real_cost = -147.774 Zhang-Server_TS3 costs 47.281 real_cost = -147.774 Zhang-Server_TS2-scwrl costs 58.314 real_cost = -189.521 Zhang-Server_TS2 costs 58.314 real_cost = -189.521 Zhang-Server_TS1-scwrl costs 49.626 real_cost = -167.909 Zhang-Server_TS1 costs 49.626 real_cost = -167.909 UNI-EID_sfst_AL5-scwrl costs 74.364 real_cost = -80.058 UNI-EID_sfst_AL5 costs 74.410 real_cost = -46.000 UNI-EID_sfst_AL4-scwrl costs 63.621 real_cost = -128.690 UNI-EID_sfst_AL4 costs 63.621 real_cost = -72.343 UNI-EID_sfst_AL3-scwrl costs 61.236 real_cost = -126.568 UNI-EID_sfst_AL3 costs 61.277 real_cost = -97.807 UNI-EID_sfst_AL2-scwrl costs 66.938 real_cost = -78.731 UNI-EID_sfst_AL2 costs 66.938 real_cost = -37.357 UNI-EID_sfst_AL1-scwrl costs 52.511 real_cost = -152.578 UNI-EID_sfst_AL1 costs 52.511 real_cost = -92.073 UNI-EID_expm_TS1-scwrl costs 93.873 real_cost = -77.151 UNI-EID_expm_TS1 costs 93.873 real_cost = -86.987 UNI-EID_bnmx_TS5-scwrl costs 72.261 real_cost = -94.717 UNI-EID_bnmx_TS5 costs 72.305 real_cost = -55.352 UNI-EID_bnmx_TS4-scwrl costs 64.249 real_cost = -128.690 UNI-EID_bnmx_TS4 costs 64.249 real_cost = -72.343 UNI-EID_bnmx_TS3-scwrl costs 59.988 real_cost = -147.981 UNI-EID_bnmx_TS3 costs 59.996 real_cost = -116.935 UNI-EID_bnmx_TS2-scwrl costs 64.334 real_cost = -85.348 UNI-EID_bnmx_TS2 costs 64.334 real_cost = -44.639 UNI-EID_bnmx_TS1-scwrl costs 52.511 real_cost = -152.578 UNI-EID_bnmx_TS1 costs 52.511 real_cost = -92.073 SPARKS2_TS5-scwrl costs 52.495 real_cost = -140.876 SPARKS2_TS5 costs 52.495 real_cost = -131.459 SPARKS2_TS4-scwrl costs 55.913 real_cost = -143.021 SPARKS2_TS4 costs 55.913 real_cost = -130.976 SPARKS2_TS3-scwrl costs 50.175 real_cost = -152.767 SPARKS2_TS3 costs 50.175 real_cost = -159.749 SPARKS2_TS2-scwrl costs 52.214 real_cost = -93.200 SPARKS2_TS2 costs 52.214 real_cost = -82.667 SPARKS2_TS1-scwrl costs 46.444 real_cost = -165.484 SPARKS2_TS1 costs 46.444 real_cost = -154.037 SP4_TS5-scwrl costs 63.773 real_cost = -151.908 SP4_TS5 costs 63.773 real_cost = -134.602 SP4_TS4-scwrl costs 48.215 real_cost = -141.376 SP4_TS4 costs 48.215 real_cost = -130.944 SP4_TS3-scwrl costs 55.491 real_cost = -150.208 SP4_TS3 costs 55.491 real_cost = -149.458 SP4_TS2-scwrl costs 52.214 real_cost = -93.200 SP4_TS2 costs 52.214 real_cost = -82.667 SP4_TS1-scwrl costs 46.352 real_cost = -157.080 SP4_TS1 costs 46.352 real_cost = -149.043 SP3_TS5-scwrl costs 48.215 real_cost = -141.376 SP3_TS5 costs 48.215 real_cost = -130.944 SP3_TS4-scwrl costs 52.214 real_cost = -93.200 SP3_TS4 costs 52.214 real_cost = -82.667 SP3_TS3-scwrl costs 63.773 real_cost = -151.908 SP3_TS3 costs 63.773 real_cost = -134.602 SP3_TS2-scwrl costs 54.084 real_cost = -153.894 SP3_TS2 costs 54.084 real_cost = -146.999 SP3_TS1-scwrl costs 46.352 real_cost = -157.080 SP3_TS1 costs 46.352 real_cost = -149.043 SAM_T06_server_TS5-scwrl costs 65.734 real_cost = -111.915 SAM_T06_server_TS5 costs 65.405 real_cost = -133.821 SAM_T06_server_TS4-scwrl costs 58.365 real_cost = -98.179 SAM_T06_server_TS4 costs 58.392 real_cost = -124.334 SAM_T06_server_TS3-scwrl costs 56.187 real_cost = -121.989 SAM_T06_server_TS3 costs 56.027 real_cost = -135.170 SAM_T06_server_TS2-scwrl costs 73.742 real_cost = -145.366 SAM_T06_server_TS2 costs 73.766 real_cost = -165.971 SAM_T06_server_TS1-scwrl costs 61.600 real_cost = -200.208 SAM_T06_server_TS1 costs 61.600 real_cost = -196.955 SAM-T99_AL5-scwrl costs 65.942 real_cost = -126.667 SAM-T99_AL5 costs 65.914 real_cost = -98.709 SAM-T99_AL4-scwrl costs 84.022 real_cost = -36.004 SAM-T99_AL4 costs 84.048 real_cost = -10.442 SAM-T99_AL3-scwrl costs 82.277 real_cost = -79.301 SAM-T99_AL3 costs 82.374 real_cost = -36.860 SAM-T99_AL2-scwrl costs 56.658 real_cost = -176.246 SAM-T99_AL2 costs 56.849 real_cost = -134.807 SAM-T99_AL1-scwrl costs 57.438 real_cost = -160.496 SAM-T99_AL1 costs 57.629 real_cost = -118.852 SAM-T02_AL5-scwrl costs 57.272 real_cost = -66.632 SAM-T02_AL5 costs 57.360 real_cost = -23.072 SAM-T02_AL4-scwrl costs 60.050 real_cost = -157.064 SAM-T02_AL4 costs 59.768 real_cost = -107.709 SAM-T02_AL3-scwrl costs 63.450 real_cost = -159.667 SAM-T02_AL3 costs 63.168 real_cost = -114.806 SAM-T02_AL2-scwrl costs 64.083 real_cost = -184.747 SAM-T02_AL2 costs 64.060 real_cost = -139.358 SAM-T02_AL1-scwrl costs 65.172 real_cost = -22.924 SAM-T02_AL1 costs 64.935 real_cost = 22.721 ROKKY_TS5-scwrl costs 51.498 real_cost = -127.770 ROKKY_TS5 costs 51.498 real_cost = -126.426 ROKKY_TS4-scwrl costs 62.924 real_cost = -16.097 ROKKY_TS4 costs 62.924 real_cost = -1.221 ROKKY_TS3-scwrl costs 72.868 real_cost = -96.267 ROKKY_TS3 costs 72.868 real_cost = -66.640 ROKKY_TS2-scwrl costs 62.626 real_cost = -41.532 ROKKY_TS2 costs 62.626 real_cost = -39.625 ROKKY_TS1-scwrl costs 50.413 real_cost = -169.462 ROKKY_TS1 costs 50.413 real_cost = -163.104 ROBETTA_TS5-scwrl costs 50.707 real_cost = -166.336 ROBETTA_TS5 costs 50.707 real_cost = -157.580 ROBETTA_TS4-scwrl costs 54.016 real_cost = -176.278 ROBETTA_TS4 costs 54.016 real_cost = -169.461 ROBETTA_TS3-scwrl costs 54.859 real_cost = -143.214 ROBETTA_TS3 costs 54.859 real_cost = -139.055 ROBETTA_TS2-scwrl costs 49.138 real_cost = -149.416 ROBETTA_TS2 costs 49.138 real_cost = -144.631 ROBETTA_TS1-scwrl costs 52.842 real_cost = -156.826 ROBETTA_TS1 costs 52.842 real_cost = -150.306 RAPTOR_TS5-scwrl costs 58.078 real_cost = -177.663 RAPTOR_TS5 costs 58.078 real_cost = -186.900 RAPTOR_TS4-scwrl costs 58.078 real_cost = -177.663 RAPTOR_TS4 costs 58.078 real_cost = -186.900 RAPTOR_TS3-scwrl costs 49.061 real_cost = -207.013 RAPTOR_TS3 costs 49.061 real_cost = -205.947 RAPTOR_TS2-scwrl costs 49.061 real_cost = -207.013 RAPTOR_TS2 costs 49.061 real_cost = -205.947 RAPTOR_TS1-scwrl costs 49.330 real_cost = -223.313 RAPTOR_TS1 costs 49.330 real_cost = -230.115 RAPTORESS_TS5-scwrl costs 72.219 real_cost = -155.690 RAPTORESS_TS5 costs 72.219 real_cost = -147.466 RAPTORESS_TS4-scwrl costs 72.219 real_cost = -155.690 RAPTORESS_TS4 costs 72.219 real_cost = -147.466 RAPTORESS_TS3-scwrl costs 68.525 real_cost = -177.178 RAPTORESS_TS3 costs 68.525 real_cost = -162.481 RAPTORESS_TS2-scwrl costs 68.525 real_cost = -177.178 RAPTORESS_TS2 costs 68.525 real_cost = -162.481 RAPTORESS_TS1-scwrl costs 68.239 real_cost = -185.510 RAPTORESS_TS1 costs 68.239 real_cost = -183.128 RAPTOR-ACE_TS5-scwrl costs 46.352 real_cost = -157.080 RAPTOR-ACE_TS5 costs 46.352 real_cost = -149.043 RAPTOR-ACE_TS4-scwrl costs 59.067 real_cost = -167.330 RAPTOR-ACE_TS4 costs 59.067 real_cost = -167.140 RAPTOR-ACE_TS3-scwrl costs 57.613 real_cost = -166.058 RAPTOR-ACE_TS3 costs 57.613 real_cost = -161.327 RAPTOR-ACE_TS2-scwrl costs 46.352 real_cost = -157.080 RAPTOR-ACE_TS2 costs 46.352 real_cost = -149.043 RAPTOR-ACE_TS1-scwrl costs 47.845 real_cost = -201.055 RAPTOR-ACE_TS1 costs 47.845 real_cost = -199.314 Pmodeller6_TS5-scwrl costs 54.799 real_cost = -222.192 Pmodeller6_TS5 costs 54.799 real_cost = -221.677 Pmodeller6_TS4-scwrl costs 67.585 real_cost = -111.746 Pmodeller6_TS4 costs 67.586 real_cost = -114.120 Pmodeller6_TS3-scwrl costs 50.707 real_cost = -166.336 Pmodeller6_TS3 costs 50.707 real_cost = -157.580 Pmodeller6_TS2-scwrl costs 52.842 real_cost = -156.826 Pmodeller6_TS2 costs 52.842 real_cost = -150.306 Pmodeller6_TS1-scwrl costs 54.859 real_cost = -143.214 Pmodeller6_TS1 costs 54.859 real_cost = -139.055 Phyre-2_TS5-scwrl costs 67.732 real_cost = -175.897 Phyre-2_TS5 costs 67.732 real_cost = -166.329 Phyre-2_TS4-scwrl costs 67.732 real_cost = -175.897 Phyre-2_TS4 costs 67.732 real_cost = -166.329 Phyre-2_TS3-scwrl costs 67.732 real_cost = -175.897 Phyre-2_TS3 costs 67.732 real_cost = -166.329 Phyre-2_TS2-scwrl costs 67.732 real_cost = -175.897 Phyre-2_TS2 costs 67.732 real_cost = -166.329 Phyre-2_TS1-scwrl costs 67.043 real_cost = -175.913 Phyre-2_TS1 costs 67.043 real_cost = -166.347 Phyre-1_TS1-scwrl costs 63.148 real_cost = -70.355 Phyre-1_TS1 costs 63.159 real_cost = -72.414 Pcons6_TS5-scwrl costs 52.875 real_cost = -156.646 Pcons6_TS5 costs 52.875 real_cost = -156.647 Pcons6_TS4-scwrl costs 65.446 real_cost = -202.395 Pcons6_TS4 costs 65.255 real_cost = -202.214 Pcons6_TS3-scwrl costs 53.037 real_cost = -211.582 Pcons6_TS3 costs 53.051 real_cost = -205.837 Pcons6_TS2-scwrl costs 53.780 real_cost = -152.111 Pcons6_TS2 costs 53.780 real_cost = -152.341 Pcons6_TS1-scwrl costs 52.463 real_cost = -155.098 Pcons6_TS1 costs 52.463 real_cost = -155.098 PROTINFO_TS5-scwrl costs 62.798 real_cost = -177.920 PROTINFO_TS5 costs 62.798 real_cost = -164.907 PROTINFO_TS4-scwrl costs 58.603 real_cost = -170.948 PROTINFO_TS4 costs 58.603 real_cost = -161.449 PROTINFO_TS3-scwrl costs 69.744 real_cost = -123.008 PROTINFO_TS3 costs 69.744 real_cost = -119.892 PROTINFO_TS2-scwrl costs 52.044 real_cost = -216.279 PROTINFO_TS2 costs 52.044 real_cost = -214.700 PROTINFO_TS1-scwrl costs 56.772 real_cost = -168.385 PROTINFO_TS1 costs 56.772 real_cost = -163.893 PROTINFO-AB_TS5-scwrl costs 63.099 real_cost = -161.019 PROTINFO-AB_TS5 costs 63.099 real_cost = -143.633 PROTINFO-AB_TS4-scwrl costs 59.068 real_cost = -155.751 PROTINFO-AB_TS4 costs 59.068 real_cost = -137.239 PROTINFO-AB_TS3-scwrl costs 62.921 real_cost = -146.660 PROTINFO-AB_TS3 costs 62.921 real_cost = -136.594 PROTINFO-AB_TS2-scwrl costs 64.434 real_cost = -155.626 PROTINFO-AB_TS2 costs 64.434 real_cost = -139.874 PROTINFO-AB_TS1-scwrl costs 59.011 real_cost = -165.741 PROTINFO-AB_TS1 costs 59.011 real_cost = -155.492 NN_PUT_lab_TS1-scwrl costs 49.763 real_cost = -131.117 NN_PUT_lab_TS1 costs 49.763 real_cost = -131.393 MetaTasser_TS3-scwrl costs 71.309 real_cost = -148.787 MetaTasser_TS3 costs 71.309 real_cost = -143.835 MetaTasser_TS2-scwrl costs 77.059 real_cost = -156.300 MetaTasser_TS2 costs 77.059 real_cost = -150.479 MetaTasser_TS1-scwrl costs 78.402 real_cost = -147.656 MetaTasser_TS1 costs 78.402 real_cost = -145.645 Ma-OPUS-server_TS5-scwrl costs 44.994 real_cost = -147.041 Ma-OPUS-server_TS5 costs 44.994 real_cost = -144.559 Ma-OPUS-server_TS4-scwrl costs 53.065 real_cost = -146.831 Ma-OPUS-server_TS4 costs 53.065 real_cost = -142.191 Ma-OPUS-server_TS3-scwrl costs 51.477 real_cost = -149.526 Ma-OPUS-server_TS3 costs 51.477 real_cost = -149.208 Ma-OPUS-server_TS2-scwrl costs 61.689 real_cost = -72.093 Ma-OPUS-server_TS2 costs 61.689 real_cost = -74.643 Ma-OPUS-server_TS1-scwrl costs 57.095 real_cost = -81.655 Ma-OPUS-server_TS1 costs 57.095 real_cost = -75.510 Ma-OPUS-server2_TS5-scwrl costs 51.604 real_cost = -157.513 Ma-OPUS-server2_TS5 costs 51.604 real_cost = -154.850 Ma-OPUS-server2_TS4-scwrl costs 49.492 real_cost = -116.400 Ma-OPUS-server2_TS4 costs 49.492 real_cost = -102.083 Ma-OPUS-server2_TS3-scwrl costs 51.189 real_cost = -145.276 Ma-OPUS-server2_TS3 costs 51.189 real_cost = -125.571 Ma-OPUS-server2_TS2-scwrl costs 57.095 real_cost = -81.655 Ma-OPUS-server2_TS2 costs 57.095 real_cost = -75.510 Ma-OPUS-server2_TS1-scwrl costs 57.095 real_cost = -81.655 Ma-OPUS-server2_TS1 costs 57.095 real_cost = -75.510 MIG_FROST_AL1-scwrl costs 113.910 real_cost = 199.100 MIG_FROST_AL1 costs 113.925 real_cost = 246.547 LOOPP_TS5-scwrl costs 72.732 real_cost = -112.635 LOOPP_TS5 costs 72.733 real_cost = -90.701 LOOPP_TS4-scwrl costs 65.578 real_cost = -158.911 LOOPP_TS4 costs 65.592 real_cost = -135.214 LOOPP_TS3-scwrl costs 59.436 real_cost = -186.662 LOOPP_TS3 costs 59.474 real_cost = -181.365 LOOPP_TS2-scwrl costs 71.972 real_cost = -88.687 LOOPP_TS2 costs 71.995 real_cost = -81.212 LOOPP_TS1-scwrl costs 49.763 real_cost = -131.117 LOOPP_TS1 costs 49.763 real_cost = -131.393 Huber-Torda-Server_TS5-scwrl costs 60.574 real_cost = -148.497 Huber-Torda-Server_TS5 costs 61.071 real_cost = -110.430 Huber-Torda-Server_TS4-scwrl costs 61.096 real_cost = -149.556 Huber-Torda-Server_TS4 costs 61.052 real_cost = -89.106 Huber-Torda-Server_TS3-scwrl costs 67.281 real_cost = -135.631 Huber-Torda-Server_TS3 costs 67.285 real_cost = -98.326 Huber-Torda-Server_TS1-scwrl costs 53.495 real_cost = -153.423 Huber-Torda-Server_TS1 costs 53.495 real_cost = -106.752 HHpred3_TS1-scwrl costs 49.318 real_cost = -159.598 HHpred3_TS1 costs 49.318 real_cost = -163.957 HHpred2_TS1-scwrl costs 50.251 real_cost = -178.866 HHpred2_TS1 costs 50.251 real_cost = -174.008 HHpred1_TS1-scwrl costs 57.854 real_cost = -186.712 HHpred1_TS1 costs 57.854 real_cost = -181.087 GeneSilicoMetaServer_TS5-scwrl costs 47.984 real_cost = -145.111 GeneSilicoMetaServer_TS5 costs 47.984 real_cost = -130.875 GeneSilicoMetaServer_TS4-scwrl costs 54.178 real_cost = -157.421 GeneSilicoMetaServer_TS4 costs 54.237 real_cost = -151.197 GeneSilicoMetaServer_TS3-scwrl costs 48.966 real_cost = -190.771 GeneSilicoMetaServer_TS3 costs 48.966 real_cost = -186.065 GeneSilicoMetaServer_TS2-scwrl costs 46.734 real_cost = -159.798 GeneSilicoMetaServer_TS2 costs 46.734 real_cost = -157.027 GeneSilicoMetaServer_TS1-scwrl costs 47.124 real_cost = -176.446 GeneSilicoMetaServer_TS1 costs 47.124 real_cost = -179.831 Frankenstein_TS5-scwrl costs 62.466 real_cost = 30.123 Frankenstein_TS5 costs 62.466 real_cost = 33.145 Frankenstein_TS4-scwrl costs 68.706 real_cost = -99.810 Frankenstein_TS4 costs 68.706 real_cost = -95.993 Frankenstein_TS3-scwrl costs 48.059 real_cost = -166.679 Frankenstein_TS3 costs 48.059 real_cost = -156.169 Frankenstein_TS2-scwrl costs 59.705 real_cost = -133.474 Frankenstein_TS2 costs 59.705 real_cost = -129.096 Frankenstein_TS1-scwrl costs 55.200 real_cost = -158.707 Frankenstein_TS1 costs 55.200 real_cost = -156.931 FUNCTION_TS5-scwrl costs 74.577 real_cost = -77.209 FUNCTION_TS5 costs 74.577 real_cost = -63.574 FUNCTION_TS4-scwrl costs 55.027 real_cost = -163.945 FUNCTION_TS4 costs 55.027 real_cost = -158.772 FUNCTION_TS3-scwrl costs 70.482 real_cost = -67.334 FUNCTION_TS3 costs 70.482 real_cost = -80.543 FUNCTION_TS2-scwrl costs 56.001 real_cost = -152.078 FUNCTION_TS2 costs 56.001 real_cost = -146.853 FUNCTION_TS1-scwrl costs 58.923 real_cost = -158.464 FUNCTION_TS1 costs 58.923 real_cost = -153.109 FUGUE_AL5-scwrl costs 74.884 real_cost = 92.113 FUGUE_AL5 costs 74.836 real_cost = 131.530 FUGUE_AL4-scwrl costs 59.916 real_cost = -39.260 FUGUE_AL4 costs 60.027 real_cost = 3.257 FUGUE_AL3-scwrl costs 64.380 real_cost = -145.692 FUGUE_AL3 costs 64.478 real_cost = -118.972 FUGUE_AL2-scwrl costs 65.477 real_cost = -130.859 FUGUE_AL2 costs 65.551 real_cost = -90.292 FUGUE_AL1-scwrl costs 51.717 real_cost = -165.014 FUGUE_AL1 costs 51.704 real_cost = -99.716 FUGMOD_TS5-scwrl costs 51.508 real_cost = 49.068 FUGMOD_TS5 costs 51.508 real_cost = 55.294 FUGMOD_TS4-scwrl costs 52.500 real_cost = -73.239 FUGMOD_TS4 costs 52.514 real_cost = -66.421 FUGMOD_TS3-scwrl costs 49.510 real_cost = -162.570 FUGMOD_TS3 costs 49.535 real_cost = -151.772 FUGMOD_TS2-scwrl costs 53.437 real_cost = -175.303 FUGMOD_TS2 costs 53.437 real_cost = -170.159 FUGMOD_TS1-scwrl costs 54.734 real_cost = -152.133 FUGMOD_TS1 costs 54.722 real_cost = -149.293 FPSOLVER-SERVER_TS5-scwrl costs 169.043 real_cost = 326.660 FPSOLVER-SERVER_TS5 costs 169.043 real_cost = 326.434 FPSOLVER-SERVER_TS4-scwrl costs 142.323 real_cost = 323.633 FPSOLVER-SERVER_TS4 costs 142.323 real_cost = 323.546 FPSOLVER-SERVER_TS3-scwrl costs 155.150 real_cost = 315.864 FPSOLVER-SERVER_TS3 costs 155.150 real_cost = 321.117 FPSOLVER-SERVER_TS2-scwrl costs 139.176 real_cost = 306.346 FPSOLVER-SERVER_TS2 costs 139.176 real_cost = 305.236 FPSOLVER-SERVER_TS1-scwrl costs 154.762 real_cost = 317.120 FPSOLVER-SERVER_TS1 costs 154.762 real_cost = 321.016 FORTE2_AL5-scwrl costs 93.137 real_cost = -4.305 FORTE2_AL5 costs 93.137 real_cost = 33.888 FORTE2_AL4-scwrl costs 64.993 real_cost = -87.683 FORTE2_AL4 costs 64.993 real_cost = -46.817 FORTE2_AL3-scwrl costs 56.133 real_cost = -152.663 FORTE2_AL3 costs 56.088 real_cost = -92.082 FORTE2_AL2-scwrl costs 54.463 real_cost = -192.192 FORTE2_AL2 costs 54.401 real_cost = -145.868 FORTE2_AL1-scwrl costs 65.158 real_cost = -91.168 FORTE2_AL1 costs 65.158 real_cost = -33.226 FORTE1_AL5-scwrl costs 93.137 real_cost = -4.305 FORTE1_AL5 costs 93.137 real_cost = 33.888 FORTE1_AL4-scwrl costs 81.021 real_cost = 24.600 FORTE1_AL4 costs 81.216 real_cost = 57.234 FORTE1_AL3-scwrl costs 64.334 real_cost = -85.348 FORTE1_AL3 costs 64.334 real_cost = -44.639 FORTE1_AL2-scwrl costs 53.195 real_cost = -192.954 FORTE1_AL2 costs 53.133 real_cost = -147.746 FORTE1_AL1-scwrl costs 65.158 real_cost = -91.168 FORTE1_AL1 costs 65.158 real_cost = -33.226 FOLDpro_TS5-scwrl costs 46.961 real_cost = -156.124 FOLDpro_TS5 costs 46.961 real_cost = -157.320 FOLDpro_TS4-scwrl costs 57.941 real_cost = -184.934 FOLDpro_TS4 costs 57.941 real_cost = -179.156 FOLDpro_TS3-scwrl costs 46.886 real_cost = -172.102 FOLDpro_TS3 costs 46.886 real_cost = -161.558 FOLDpro_TS2-scwrl costs 48.593 real_cost = -169.197 FOLDpro_TS2 costs 48.593 real_cost = -169.625 FOLDpro_TS1-scwrl costs 47.357 real_cost = -183.237 FOLDpro_TS1 costs 47.357 real_cost = -182.367 FAMS_TS5-scwrl costs 68.701 real_cost = -101.861 FAMS_TS5 costs 68.724 real_cost = -84.023 FAMS_TS4-scwrl costs 67.437 real_cost = -92.564 FAMS_TS4 costs 67.437 real_cost = -78.205 FAMS_TS3-scwrl costs 69.771 real_cost = -81.065 FAMS_TS3 costs 69.786 real_cost = -76.649 FAMS_TS2-scwrl costs 69.670 real_cost = -81.687 FAMS_TS2 costs 69.716 real_cost = -57.892 FAMS_TS1-scwrl costs 61.577 real_cost = -185.568 FAMS_TS1 costs 61.577 real_cost = -182.927 FAMSD_TS5-scwrl costs 72.903 real_cost = -118.348 FAMSD_TS5 costs 72.858 real_cost = -120.978 FAMSD_TS4-scwrl costs 79.752 real_cost = -126.026 FAMSD_TS4 costs 79.795 real_cost = -127.280 FAMSD_TS3-scwrl costs 75.615 real_cost = -126.175 FAMSD_TS3 costs 75.633 real_cost = -138.927 FAMSD_TS2-scwrl costs 69.771 real_cost = -81.065 FAMSD_TS2 costs 69.786 real_cost = -76.649 FAMSD_TS1-scwrl costs 69.028 real_cost = -75.555 FAMSD_TS1 costs 69.028 real_cost = -58.188 Distill_TS5-scwrl costs 222.068 real_cost = 137.432 Distill_TS4-scwrl costs 231.237 real_cost = 141.378 Distill_TS3-scwrl costs 225.716 real_cost = 123.708 Distill_TS2-scwrl costs 231.774 real_cost = 126.065 Distill_TS1-scwrl costs 235.479 real_cost = 139.114 CaspIta-FOX_TS5-scwrl costs 81.378 real_cost = 2.882 CaspIta-FOX_TS5 costs 81.378 real_cost = 6.294 CaspIta-FOX_TS4-scwrl costs 56.268 real_cost = -160.985 CaspIta-FOX_TS4 costs 56.268 real_cost = -155.222 CaspIta-FOX_TS3-scwrl costs 60.756 real_cost = -118.047 CaspIta-FOX_TS3 costs 60.756 real_cost = -118.790 CaspIta-FOX_TS2-scwrl costs 61.363 real_cost = -197.575 CaspIta-FOX_TS2 costs 61.409 real_cost = -198.314 CaspIta-FOX_TS1-scwrl costs 70.329 real_cost = -101.751 CaspIta-FOX_TS1 costs 70.343 real_cost = -88.939 CPHmodels_TS1-scwrl costs 69.353 real_cost = -64.219 CPHmodels_TS1 costs 69.435 real_cost = -51.041 CIRCLE_TS5-scwrl costs 62.612 real_cost = -131.662 CIRCLE_TS5 costs 62.612 real_cost = -126.087 CIRCLE_TS4-scwrl costs 68.701 real_cost = -101.861 CIRCLE_TS4 costs 68.724 real_cost = -84.023 CIRCLE_TS3-scwrl costs 63.464 real_cost = -129.368 CIRCLE_TS3 costs 63.464 real_cost = -114.059 CIRCLE_TS2-scwrl costs 69.670 real_cost = -81.687 CIRCLE_TS2 costs 69.716 real_cost = -57.892 CIRCLE_TS1-scwrl costs 67.437 real_cost = -92.564 CIRCLE_TS1 costs 67.437 real_cost = -78.205 Bilab-ENABLE_TS5-scwrl costs 55.007 real_cost = -95.661 Bilab-ENABLE_TS5 costs 55.007 real_cost = -95.661 Bilab-ENABLE_TS4-scwrl costs 51.807 real_cost = -168.482 Bilab-ENABLE_TS4 costs 51.807 real_cost = -170.194 Bilab-ENABLE_TS3-scwrl costs 49.064 real_cost = -150.281 Bilab-ENABLE_TS3 costs 49.064 real_cost = -150.281 Bilab-ENABLE_TS2-scwrl costs 49.445 real_cost = -167.876 Bilab-ENABLE_TS2 costs 49.445 real_cost = -167.876 Bilab-ENABLE_TS1-scwrl costs 67.539 real_cost = -137.236 Bilab-ENABLE_TS1 costs 67.539 real_cost = -137.236 BayesHH_TS1-scwrl costs 53.838 real_cost = -171.062 BayesHH_TS1 costs 53.838 real_cost = -150.621 ABIpro_TS5-scwrl costs 88.658 real_cost = 212.726 ABIpro_TS5 costs 88.658 real_cost = 212.726 ABIpro_TS4-scwrl costs 86.313 real_cost = 256.193 ABIpro_TS4 costs 86.313 real_cost = 256.193 ABIpro_TS3-scwrl costs 80.132 real_cost = 199.839 ABIpro_TS3 costs 80.132 real_cost = 199.839 ABIpro_TS2-scwrl costs 84.481 real_cost = 188.779 ABIpro_TS2 costs 84.481 real_cost = 188.857 ABIpro_TS1-scwrl costs 73.114 real_cost = 234.633 ABIpro_TS1 costs 73.114 real_cost = 234.633 3Dpro_TS5-scwrl costs 46.886 real_cost = -172.102 3Dpro_TS5 costs 46.886 real_cost = -161.558 3Dpro_TS4-scwrl costs 48.593 real_cost = -169.197 3Dpro_TS4 costs 48.593 real_cost = -169.625 3Dpro_TS3-scwrl costs 46.961 real_cost = -156.124 3Dpro_TS3 costs 46.961 real_cost = -157.320 3Dpro_TS2-scwrl costs 57.941 real_cost = -184.934 3Dpro_TS2 costs 57.941 real_cost = -179.156 3Dpro_TS1-scwrl costs 54.570 real_cost = -187.990 3Dpro_TS1 costs 54.570 real_cost = -183.368 3D-JIGSAW_TS5-scwrl costs 74.049 real_cost = -76.010 3D-JIGSAW_TS5 costs 74.044 real_cost = -82.061 3D-JIGSAW_TS4-scwrl costs 66.530 real_cost = -85.342 3D-JIGSAW_TS4 costs 66.590 real_cost = -83.573 3D-JIGSAW_TS3-scwrl costs 59.327 real_cost = -162.106 3D-JIGSAW_TS3 costs 59.319 real_cost = -146.561 3D-JIGSAW_TS2-scwrl costs 73.171 real_cost = -103.574 3D-JIGSAW_TS2 costs 73.186 real_cost = -100.003 3D-JIGSAW_TS1-scwrl costs 62.529 real_cost = -143.444 3D-JIGSAW_TS1 costs 62.611 real_cost = -133.566 3D-JIGSAW_RECOM_TS5-scwrl costs 76.003 real_cost = -128.540 3D-JIGSAW_RECOM_TS5 costs 76.019 real_cost = -128.481 3D-JIGSAW_RECOM_TS4-scwrl costs 57.676 real_cost = -156.532 3D-JIGSAW_RECOM_TS4 costs 57.692 real_cost = -145.012 3D-JIGSAW_RECOM_TS3-scwrl costs 71.956 real_cost = -105.538 3D-JIGSAW_RECOM_TS3 costs 71.971 real_cost = -117.359 3D-JIGSAW_RECOM_TS2-scwrl costs 72.431 real_cost = -123.985 3D-JIGSAW_RECOM_TS2 costs 72.447 real_cost = -118.636 3D-JIGSAW_RECOM_TS1-scwrl costs 66.795 real_cost = -129.241 3D-JIGSAW_RECOM_TS1 costs 66.810 real_cost = -128.034 3D-JIGSAW_POPULUS_TS5-scwrl costs 70.620 real_cost = -68.338 3D-JIGSAW_POPULUS_TS5 costs 70.620 real_cost = -68.321 3D-JIGSAW_POPULUS_TS4-scwrl costs 69.888 real_cost = -125.293 3D-JIGSAW_POPULUS_TS4 costs 69.913 real_cost = -134.143 3D-JIGSAW_POPULUS_TS3-scwrl costs 71.344 real_cost = -128.409 3D-JIGSAW_POPULUS_TS3 costs 71.350 real_cost = -134.975 3D-JIGSAW_POPULUS_TS2-scwrl costs 58.054 real_cost = -161.132 3D-JIGSAW_POPULUS_TS2 costs 58.136 real_cost = -166.919 3D-JIGSAW_POPULUS_TS1-scwrl costs 64.792 real_cost = -129.398 3D-JIGSAW_POPULUS_TS1 costs 64.799 real_cost = -138.260 T0359.try9-opt2.repack-nonPC.pdb.gz costs 61.762 real_cost = -178.269 T0359.try9-opt2.pdb.gz costs 61.762 real_cost = -173.741 T0359.try9-opt2.gromacs0.repack-nonPC.pdb.gz costs 60.525 real_cost = -175.262 T0359.try9-opt2.gromacs0.pdb.gz costs 60.525 real_cost = -169.714 T0359.try9-opt1.pdb.gz costs 60.242 real_cost = -174.917 T0359.try9-opt1-scwrl.pdb.gz costs 60.242 real_cost = -180.204 T0359.try8-opt2.repack-nonPC.pdb.gz costs 62.072 real_cost = -185.834 T0359.try8-opt2.pdb.gz costs 62.072 real_cost = -181.128 T0359.try8-opt2.gromacs0.repack-nonPC.pdb.gz costs 52.260 real_cost = -175.903 T0359.try8-opt2.gromacs0.pdb.gz costs 52.260 real_cost = -178.888 T0359.try8-opt1.pdb.gz costs 62.337 real_cost = -188.577 T0359.try8-opt1-scwrl.pdb.gz costs 62.337 real_cost = -189.794 T0359.try7-opt2.repack-nonPC.pdb.gz costs 69.259 real_cost = -177.236 T0359.try7-opt2.pdb.gz costs 69.259 real_cost = -178.540 T0359.try7-opt2.gromacs0.repack-nonPC.pdb.gz costs 59.205 real_cost = -174.518 T0359.try7-opt2.gromacs0.pdb.gz costs 59.205 real_cost = -177.982 T0359.try7-opt1.pdb.gz costs 64.974 real_cost = -176.636 T0359.try7-opt1-scwrl.pdb.gz costs 64.974 real_cost = -185.857 T0359.try6-opt2.repack-nonPC.pdb.gz costs 54.064 real_cost = -197.536 T0359.try6-opt2.pdb.gz costs 54.064 real_cost = -194.312 T0359.try6-opt2.gromacs0.repack-nonPC.pdb.gz costs 51.258 real_cost = -201.370 T0359.try6-opt2.gromacs0.pdb.gz costs 51.258 real_cost = -197.259 T0359.try6-opt1.pdb.gz costs 54.243 real_cost = -205.199 T0359.try6-opt1-scwrl.pdb.gz costs 54.243 real_cost = -204.398 T0359.try5-opt2.repack-nonPC.pdb.gz costs 53.634 real_cost = -217.723 T0359.try5-opt2.pdb.gz costs 53.634 real_cost = -208.843 T0359.try5-opt2.gromacs1.repack-nonPC.pdb.gz costs 60.693 real_cost = -176.698 T0359.try5-opt2.gromacs1.pdb.gz costs 60.693 real_cost = -157.984 T0359.try5-opt2.gromacs0.repack-nonPC.pdb.gz costs 49.225 real_cost = -213.909 T0359.try5-opt2.gromacs0.pdb.gz costs 49.225 real_cost = -206.488 T0359.try5-opt1.pdb.gz costs 55.427 real_cost = -209.062 T0359.try5-opt1-scwrl.pdb.gz costs 55.427 real_cost = -215.780 T0359.try4-opt2.repack-nonPC.pdb.gz costs 55.869 real_cost = -212.556 T0359.try4-opt2.pdb.gz costs 55.869 real_cost = -206.119 T0359.try4-opt2.gromacs0.repack-nonPC.pdb.gz costs 49.788 real_cost = -210.948 T0359.try4-opt2.gromacs0.pdb.gz costs 49.788 real_cost = -202.308 T0359.try4-opt1.pdb.gz costs 55.765 real_cost = -206.735 T0359.try4-opt1-scwrl.pdb.gz costs 55.765 real_cost = -214.658 T0359.try3-opt2.repack-nonPC.pdb.gz costs 57.238 real_cost = -213.511 T0359.try3-opt2.pdb.gz costs 57.238 real_cost = -209.649 T0359.try3-opt2.gromacs0.repack-nonPC.pdb.gz costs 50.765 real_cost = -212.270 T0359.try3-opt2.gromacs0.pdb.gz costs 50.765 real_cost = -206.969 T0359.try3-opt1.pdb.gz costs 58.239 real_cost = -210.823 T0359.try3-opt1-scwrl.pdb.gz costs 58.239 real_cost = -220.736 T0359.try2-opt2.repack-nonPC.pdb.gz costs 58.239 real_cost = -214.160 T0359.try2-opt2.pdb.gz costs 58.239 real_cost = -211.495 T0359.try2-opt2.gromacs0.repack-nonPC.pdb.gz costs 49.717 real_cost = -213.098 T0359.try2-opt2.gromacs0.pdb.gz costs 49.717 real_cost = -208.968 T0359.try2-opt1.pdb.gz costs 58.613 real_cost = -217.858 T0359.try2-opt1-scwrl.pdb.gz costs 58.613 real_cost = -222.700 T0359.try1-opt2.repack-nonPC.pdb.gz costs 59.966 real_cost = -216.437 T0359.try1-opt2.pdb.gz costs 59.966 real_cost = -218.048 T0359.try1-opt2.gromacs0.repack-nonPC.pdb.gz costs 50.895 real_cost = -213.715 T0359.try1-opt2.gromacs0.pdb.gz costs 50.895 real_cost = -216.037 T0359.try1-opt1.pdb.gz costs 56.434 real_cost = -223.880 T0359.try1-opt1-scwrl.pdb.gz costs 56.434 real_cost = -225.245 ../model5.ts-submitted costs 74.488 real_cost = -166.998 ../model4.ts-submitted costs 57.038 real_cost = -210.845 ../model3.ts-submitted costs 60.525 real_cost = -175.253 ../model2.ts-submitted costs 52.260 real_cost = -175.860 ../model1.ts-submitted costs 53.634 real_cost = -208.726 align5 costs 67.462 real_cost = -146.724 align4 costs 59.855 real_cost = -143.110 align3 costs 52.366 real_cost = -140.259 align2 costs 58.944 real_cost = -126.234 align1 costs 69.775 real_cost = -174.977 T0359.try1-opt2.pdb costs 59.966 real_cost = -218.030 model5-scwrl costs 74.464 real_cost = -146.107 model5.ts-submitted costs 74.488 real_cost = -166.998 model4-scwrl costs 57.038 real_cost = -220.824 model4.ts-submitted costs 57.038 real_cost = -210.845 model3-scwrl costs 60.525 real_cost = -178.251 model3.ts-submitted costs 60.525 real_cost = -175.253 model2-scwrl costs 52.260 real_cost = -182.462 model2.ts-submitted costs 52.260 real_cost = -175.860 model1-scwrl costs 53.634 real_cost = -216.750 model1.ts-submitted costs 53.634 real_cost = -208.730 2iwnA costs 45.434 real_cost = -886.200 # command:CPU_time= 336.709 sec, elapsed time= 524.792 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/T0359'