make[1]: Entering directory `/projects/compbio/experiments/protein-predict/casp7/T0369' /projects/compbio/experiments/protein-predict/casp7/starter-directory/Make.main:725: SECONDARY_TARGET = T0369.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/T0369.} ;\ 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/T0369/ -e s/START_COL/1/ \ -e s/COSTFCN/anglevector/ \ -e s/_domain// \ -e s/read-pdb/read-pdb+servers/ \ -e s/REAL_PDB/2hkvA/ \ < /projects/compbio/experiments/protein-predict/casp7/starter-directory/evaluate.under \ | nice -2 /cse/grads/jarchie/projects/cvs/karplus/undertaker/undertaker # command:# Seed set to 1182729198 # 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= 9.297 sec, elapsed time= 18.991 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= 9.410 sec, elapsed time= 19.216 sec. # command:# Prefix for input files set to # command:# Making conformation for sequence T0369 numbered 1 through 148 Created new target T0369 from T0369.a2m # command:# command:# No conformations to remove in PopConform # command:# cleared Id set # command:# command:2hkvA expands to /projects/compbio/data/pdb/2hkv.pdb.gz 2hkvA:Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 30, because occupancy 0.5 <= existing 0.500 in 2hkvA Skipped atom 34, because occupancy 0.500 <= existing 0.500 in 2hkvA Skipped atom 36, because occupancy 0.500 <= existing 0.500 in 2hkvA Skipped atom 38, because occupancy 0.500 <= existing 0.500 in 2hkvA Skipped atom 40, because occupancy 0.500 <= existing 0.500 in 2hkvA Skipped atom 42, because occupancy 0.500 <= existing 0.500 in 2hkvA Skipped atom 44, because occupancy 0.500 <= existing 0.500 in 2hkvA Skipped atom 46, because occupancy 0.500 <= existing 0.500 in 2hkvA Skipped atom 48, because occupancy 0.500 <= existing 0.500 in 2hkvA Skipped atom 50, because occupancy 0.500 <= existing 0.500 in 2hkvA Skipped atom 52, because occupancy 0.500 <= existing 0.500 in 2hkvA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 919, because occupancy 0.500 <= existing 0.500 in 2hkvA Skipped atom 923, because occupancy 0.500 <= existing 0.500 in 2hkvA Skipped atom 925, because occupancy 0.500 <= existing 0.500 in 2hkvA Skipped atom 927, because occupancy 0.500 <= existing 0.500 in 2hkvA Read 148 residues and 1197 atoms. # choosing archetypes in rotamer library # WARNING: incomplete conformation T0369 can't currently be optimized by undertaker # copying to AlignedFragments data structure # 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= 16.743 sec, elapsed time= 34.407 sec. # command:# Prefix for input files set to # command:# ReadConformPDB reading from PDB file model1.ts-submitted looking for model 1 # Found a chain break before 107 # 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 = -62.158 # GDT_score(maxd=8.000,maxw=2.900)= -64.372 # GDT_score(maxd=8.000,maxw=3.200)= -60.478 # GDT_score(maxd=8.000,maxw=3.500)= -56.914 # GDT_score(maxd=10.000,maxw=3.800)= -60.737 # GDT_score(maxd=10.000,maxw=4.000)= -58.478 # GDT_score(maxd=10.000,maxw=4.200)= -56.342 # GDT_score(maxd=12.000,maxw=4.300)= -60.639 # GDT_score(maxd=12.000,maxw=4.500)= -58.533 # GDT_score(maxd=12.000,maxw=4.700)= -56.513 # GDT_score(maxd=14.000,maxw=5.200)= -55.877 # GDT_score(maxd=14.000,maxw=5.500)= -53.297 # command:# Prefix for output files set to # command:Warning: Couldn't open file T0369.model1-real.pdb for output Error: Couldn't open file T0369.model1-real.pdb for output superimposing iter= 0 total_weight= 1766.000 rmsd (weighted)= 4.209 (unweighted)= 6.386 superimposing iter= 1 total_weight= 4190.459 rmsd (weighted)= 2.107 (unweighted)= 6.399 superimposing iter= 2 total_weight= 1975.237 rmsd (weighted)= 1.603 (unweighted)= 6.412 superimposing iter= 3 total_weight= 1434.058 rmsd (weighted)= 1.445 (unweighted)= 6.420 superimposing iter= 4 total_weight= 1276.886 rmsd (weighted)= 1.382 (unweighted)= 6.424 superimposing iter= 5 total_weight= 1226.301 rmsd (weighted)= 1.349 (unweighted)= 6.426 EXPDTA model1.ts-submitted MODEL 1 REMARK 44 REMARK 44 model 1 is called model1.ts-submitted ATOM 1 N MET A 1 13.690 20.170 -1.403 1.00 0.00 ATOM 2 CA MET A 1 14.657 20.325 -0.320 1.00 0.00 ATOM 3 CB MET A 1 13.931 20.526 1.010 1.00 0.00 ATOM 4 CG MET A 1 13.176 21.843 1.121 1.00 0.00 ATOM 5 SD MET A 1 12.331 22.028 2.704 1.00 0.00 ATOM 6 CE MET A 1 13.720 22.316 3.797 1.00 0.00 ATOM 7 O MET A 1 15.102 18.037 -0.716 1.00 0.00 ATOM 8 C MET A 1 15.548 19.098 -0.279 1.00 0.00 ATOM 9 N THR A 2 16.761 19.311 0.207 1.00 0.00 ATOM 10 CA THR A 2 17.724 18.215 0.358 1.00 0.00 ATOM 11 CB THR A 2 19.064 18.714 0.928 1.00 0.00 ATOM 12 CG2 THR A 2 20.029 17.554 1.119 1.00 0.00 ATOM 13 OG1 THR A 2 19.643 19.668 0.027 1.00 0.00 ATOM 14 O THR A 2 17.253 15.932 0.955 1.00 0.00 ATOM 15 C THR A 2 17.164 17.120 1.266 1.00 0.00 ATOM 16 N ASP A 3 16.545 17.529 2.386 1.00 0.00 ATOM 17 CA ASP A 3 15.987 16.563 3.322 1.00 0.00 ATOM 18 CB ASP A 3 15.483 17.291 4.570 1.00 0.00 ATOM 19 CG ASP A 3 16.583 17.811 5.484 1.00 0.00 ATOM 20 OD1 ASP A 3 17.713 17.423 5.301 1.00 0.00 ATOM 21 OD2 ASP A 3 16.319 18.705 6.252 1.00 0.00 ATOM 22 O ASP A 3 14.839 14.537 2.729 1.00 0.00 ATOM 23 C ASP A 3 14.871 15.766 2.647 1.00 0.00 ATOM 24 N TRP A 4 13.966 16.458 1.990 1.00 0.00 ATOM 25 CA TRP A 4 12.841 15.830 1.293 1.00 0.00 ATOM 26 CB TRP A 4 11.986 16.887 0.578 1.00 0.00 ATOM 27 CG TRP A 4 10.720 17.205 1.298 1.00 0.00 ATOM 28 CD1 TRP A 4 10.506 18.233 2.176 1.00 0.00 ATOM 29 CD2 TRP A 4 9.489 16.479 1.223 1.00 0.00 ATOM 30 CE2 TRP A 4 8.572 17.119 2.088 1.00 0.00 ATOM 31 CE3 TRP A 4 9.074 15.340 0.520 1.00 0.00 ATOM 32 NE1 TRP A 4 9.218 18.188 2.651 1.00 0.00 ATOM 33 CZ2 TRP A 4 7.259 16.667 2.255 1.00 0.00 ATOM 34 CZ3 TRP A 4 7.767 14.889 0.687 1.00 0.00 ATOM 35 CH2 TRP A 4 6.878 15.551 1.553 1.00 0.00 ATOM 36 O TRP A 4 12.751 13.776 0.089 1.00 0.00 ATOM 37 C TRP A 4 13.294 14.864 0.213 1.00 0.00 ATOM 38 N GLN A 5 14.315 15.236 -0.615 1.00 0.00 ATOM 39 CA GLN A 5 14.791 14.360 -1.672 1.00 0.00 ATOM 40 CB GLN A 5 15.837 15.119 -2.491 1.00 0.00 ATOM 41 CG GLN A 5 15.269 16.246 -3.336 1.00 0.00 ATOM 42 CD GLN A 5 16.348 17.044 -4.042 1.00 0.00 ATOM 43 OE1 GLN A 5 17.544 16.817 -3.832 1.00 0.00 ATOM 44 NE2 GLN A 5 15.935 17.987 -4.881 1.00 0.00 ATOM 45 O GLN A 5 15.106 11.982 -1.594 1.00 0.00 ATOM 46 C GLN A 5 15.381 13.075 -1.105 1.00 0.00 ATOM 47 N GLN A 6 16.216 13.198 -0.037 1.00 0.00 ATOM 48 CA GLN A 6 16.850 12.041 0.580 1.00 0.00 ATOM 49 CB GLN A 6 17.796 12.418 1.685 1.00 0.00 ATOM 50 CG GLN A 6 18.995 13.227 1.185 1.00 0.00 ATOM 51 CD GLN A 6 19.625 12.641 -0.072 1.00 0.00 ATOM 52 OE1 GLN A 6 19.611 13.264 -1.136 1.00 0.00 ATOM 53 NE2 GLN A 6 20.176 11.435 0.043 1.00 0.00 ATOM 54 O GLN A 6 15.843 9.907 1.068 1.00 0.00 ATOM 55 C GLN A 6 15.799 11.133 1.220 1.00 0.00 ATOM 56 N ALA A 7 14.851 11.744 1.928 1.00 0.00 ATOM 57 CA ALA A 7 13.796 10.989 2.601 1.00 0.00 ATOM 58 CB ALA A 7 12.888 11.982 3.372 1.00 0.00 ATOM 59 O ALA A 7 12.588 9.061 1.851 1.00 0.00 ATOM 60 C ALA A 7 12.909 10.229 1.627 1.00 0.00 ATOM 61 N LEU A 8 12.504 10.903 0.552 1.00 0.00 ATOM 62 CA LEU A 8 11.653 10.299 -0.468 1.00 0.00 ATOM 63 CB LEU A 8 11.207 11.343 -1.480 1.00 0.00 ATOM 64 CG LEU A 8 10.218 12.380 -0.945 1.00 0.00 ATOM 65 CD1 LEU A 8 9.952 13.441 -2.001 1.00 0.00 ATOM 66 CD2 LEU A 8 8.924 11.682 -0.551 1.00 0.00 ATOM 67 O LEU A 8 11.724 8.122 -1.447 1.00 0.00 ATOM 68 C LEU A 8 12.343 9.154 -1.212 1.00 0.00 ATOM 69 N ASP A 9 13.625 9.310 -1.563 1.00 0.00 ATOM 70 CA ASP A 9 14.352 8.230 -2.235 1.00 0.00 ATOM 71 CB ASP A 9 15.746 8.689 -2.594 1.00 0.00 ATOM 72 CG ASP A 9 15.873 9.431 -3.909 1.00 0.00 ATOM 73 OD1 ASP A 9 15.127 9.193 -4.875 1.00 0.00 ATOM 74 OD2 ASP A 9 16.782 10.274 -4.024 1.00 0.00 ATOM 75 O ASP A 9 14.244 5.865 -1.790 1.00 0.00 ATOM 76 C ASP A 9 14.455 6.993 -1.339 1.00 0.00 ATOM 77 N ARG A 10 14.777 7.216 -0.069 1.00 0.00 ATOM 78 CA ARG A 10 14.911 6.113 0.875 1.00 0.00 ATOM 79 CB ARG A 10 15.476 6.557 2.217 1.00 0.00 ATOM 80 CG ARG A 10 15.630 5.448 3.244 1.00 0.00 ATOM 81 CD ARG A 10 16.127 5.904 4.568 1.00 0.00 ATOM 82 NE ARG A 10 15.219 6.786 5.283 1.00 0.00 ATOM 83 CZ ARG A 10 14.126 6.374 5.957 1.00 0.00 ATOM 84 NH1 ARG A 10 13.784 5.105 5.981 1.00 0.00 ATOM 85 NH2 ARG A 10 13.395 7.284 6.575 1.00 0.00 ATOM 86 O ARG A 10 13.480 4.195 1.041 1.00 0.00 ATOM 87 C ARG A 10 13.559 5.425 1.053 1.00 0.00 ATOM 88 N HIS A 11 12.529 6.240 1.210 1.00 0.00 ATOM 89 CA HIS A 11 11.153 5.716 1.350 1.00 0.00 ATOM 90 CB HIS A 11 10.120 6.793 1.480 1.00 0.00 ATOM 91 CG HIS A 11 8.739 6.329 1.225 1.00 0.00 ATOM 92 CD2 HIS A 11 7.867 6.673 0.237 1.00 0.00 ATOM 93 ND1 HIS A 11 8.084 5.392 2.013 1.00 0.00 ATOM 94 CE1 HIS A 11 6.870 5.202 1.502 1.00 0.00 ATOM 95 NE2 HIS A 11 6.704 5.961 0.427 1.00 0.00 ATOM 96 O HIS A 11 10.295 3.739 0.282 1.00 0.00 ATOM 97 C HIS A 11 10.758 4.869 0.127 1.00 0.00 ATOM 98 N VAL A 12 11.126 5.371 -1.049 1.00 0.00 ATOM 99 CA VAL A 12 10.828 4.689 -2.334 1.00 0.00 ATOM 100 CB VAL A 12 11.218 5.529 -3.558 1.00 0.00 ATOM 101 CG1 VAL A 12 10.872 4.809 -4.872 1.00 0.00 ATOM 102 CG2 VAL A 12 10.452 6.841 -3.638 1.00 0.00 ATOM 103 O VAL A 12 11.065 2.364 -2.862 1.00 0.00 ATOM 104 C VAL A 12 11.631 3.380 -2.440 1.00 0.00 ATOM 105 N GLY A 13 12.881 3.420 -2.021 1.00 0.00 ATOM 106 CA GLY A 13 13.743 2.221 -2.021 1.00 0.00 ATOM 107 O GLY A 13 13.047 -0.038 -1.495 1.00 0.00 ATOM 108 C GLY A 13 13.190 1.114 -1.106 1.00 0.00 ATOM 109 N VAL A 14 12.794 1.498 0.094 1.00 0.00 ATOM 110 CA VAL A 14 12.210 0.542 1.069 1.00 0.00 ATOM 111 CB VAL A 14 11.917 1.220 2.419 1.00 0.00 ATOM 112 CG1 VAL A 14 11.133 0.282 3.327 1.00 0.00 ATOM 113 CG2 VAL A 14 13.213 1.649 3.092 1.00 0.00 ATOM 114 O VAL A 14 10.657 -1.217 0.521 1.00 0.00 ATOM 115 C VAL A 14 10.928 -0.021 0.485 1.00 0.00 ATOM 116 N GLY A 15 10.024 0.866 -0.006 1.00 0.00 ATOM 117 CA GLY A 15 8.688 0.360 -0.443 1.00 0.00 ATOM 118 O GLY A 15 8.273 -1.730 -1.592 1.00 0.00 ATOM 119 C GLY A 15 8.811 -0.627 -1.613 1.00 0.00 ATOM 120 N VAL A 16 9.654 -0.252 -2.568 1.00 0.00 ATOM 121 CA VAL A 16 9.888 -1.093 -3.766 1.00 0.00 ATOM 122 CB VAL A 16 10.711 -0.308 -4.792 1.00 0.00 ATOM 123 CG1 VAL A 16 12.079 0.068 -4.260 1.00 0.00 ATOM 124 CG2 VAL A 16 10.820 -0.977 -6.168 1.00 0.00 ATOM 125 O VAL A 16 10.198 -3.460 -3.998 1.00 0.00 ATOM 126 C VAL A 16 10.551 -2.435 -3.429 1.00 0.00 ATOM 127 N ARG A 17 11.553 -2.384 -2.562 1.00 0.00 ATOM 128 CA ARG A 17 12.286 -3.608 -2.181 1.00 0.00 ATOM 129 CB ARG A 17 13.495 -3.303 -1.308 1.00 0.00 ATOM 130 CG ARG A 17 14.644 -2.616 -2.026 1.00 0.00 ATOM 131 CD ARG A 17 15.789 -2.257 -1.149 1.00 0.00 ATOM 132 NE ARG A 17 16.881 -1.579 -1.828 1.00 0.00 ATOM 133 CZ ARG A 17 17.978 -1.092 -1.216 1.00 0.00 ATOM 134 NH1 ARG A 17 18.117 -1.169 0.088 1.00 0.00 ATOM 135 NH2 ARG A 17 18.903 -0.510 -1.961 1.00 0.00 ATOM 136 O ARG A 17 11.402 -5.790 -1.823 1.00 0.00 ATOM 137 C ARG A 17 11.322 -4.595 -1.562 1.00 0.00 ATOM 138 N THR A 18 10.408 -4.109 -0.705 1.00 0.00 ATOM 139 CA THR A 18 9.423 -4.956 -0.080 1.00 0.00 ATOM 140 CB THR A 18 8.489 -4.148 0.951 1.00 0.00 ATOM 141 CG2 THR A 18 7.506 -5.051 1.733 1.00 0.00 ATOM 142 OG1 THR A 18 9.413 -3.513 1.871 1.00 0.00 ATOM 143 O THR A 18 8.169 -6.777 -1.020 1.00 0.00 ATOM 144 C THR A 18 8.493 -5.600 -1.101 1.00 0.00 ATOM 145 N THR A 19 8.066 -4.860 -2.120 1.00 0.00 ATOM 146 CA THR A 19 7.250 -5.479 -3.194 1.00 0.00 ATOM 147 CB THR A 19 6.790 -4.468 -4.236 1.00 0.00 ATOM 148 CG2 THR A 19 5.922 -5.150 -5.279 1.00 0.00 ATOM 149 OG1 THR A 19 6.027 -3.434 -3.636 1.00 0.00 ATOM 150 O THR A 19 7.572 -7.657 -4.205 1.00 0.00 ATOM 151 C THR A 19 8.063 -6.568 -3.914 1.00 0.00 ATOM 152 N ARG A 20 9.299 -6.199 -4.226 1.00 0.00 ATOM 153 CA ARG A 20 10.239 -7.090 -4.917 1.00 0.00 ATOM 154 CB ARG A 20 11.559 -6.401 -5.228 1.00 0.00 ATOM 155 CG ARG A 20 12.541 -7.235 -6.035 1.00 0.00 ATOM 156 CD ARG A 20 13.917 -6.682 -6.089 1.00 0.00 ATOM 157 NE ARG A 20 14.587 -6.604 -4.801 1.00 0.00 ATOM 158 CZ ARG A 20 15.169 -7.646 -4.177 1.00 0.00 ATOM 159 NH1 ARG A 20 15.136 -8.852 -4.698 1.00 0.00 ATOM 160 NH2 ARG A 20 15.755 -7.429 -3.012 1.00 0.00 ATOM 161 O ARG A 20 10.745 -9.437 -4.743 1.00 0.00 ATOM 162 C ARG A 20 10.457 -8.409 -4.135 1.00 0.00 ATOM 163 N ASP A 21 10.274 -8.324 -2.811 1.00 0.00 ATOM 164 CA ASP A 21 10.322 -9.428 -1.841 1.00 0.00 ATOM 165 CB ASP A 21 9.925 -8.914 -0.447 1.00 0.00 ATOM 166 CG ASP A 21 10.985 -8.079 0.222 1.00 0.00 ATOM 167 OD1 ASP A 21 12.204 -8.253 -0.062 1.00 0.00 ATOM 168 OD2 ASP A 21 10.649 -7.256 1.111 1.00 0.00 ATOM 169 O ASP A 21 9.749 -11.749 -2.082 1.00 0.00 ATOM 170 C ASP A 21 9.380 -10.590 -2.241 1.00 0.00 ATOM 171 N LEU A 22 8.257 -10.277 -2.889 1.00 0.00 ATOM 172 CA LEU A 22 7.311 -11.302 -3.398 1.00 0.00 ATOM 173 CB LEU A 22 6.134 -10.667 -4.111 1.00 0.00 ATOM 174 CG LEU A 22 5.185 -11.669 -4.796 1.00 0.00 ATOM 175 CD1 LEU A 22 4.529 -12.575 -3.752 1.00 0.00 ATOM 176 CD2 LEU A 22 4.116 -10.915 -5.576 1.00 0.00 ATOM 177 O LEU A 22 7.958 -13.382 -4.403 1.00 0.00 ATOM 178 C LEU A 22 7.953 -12.168 -4.492 1.00 0.00 ATOM 179 N ILE A 23 8.621 -11.504 -5.431 1.00 0.00 ATOM 180 CA ILE A 23 9.335 -12.218 -6.505 1.00 0.00 ATOM 181 CB ILE A 23 9.751 -11.264 -7.621 1.00 0.00 ATOM 182 CG1 ILE A 23 8.508 -10.755 -8.301 1.00 0.00 ATOM 183 CG2 ILE A 23 10.800 -11.859 -8.519 1.00 0.00 ATOM 184 CD1 ILE A 23 8.739 -9.618 -9.298 1.00 0.00 ATOM 185 O ILE A 23 10.766 -14.142 -6.303 1.00 0.00 ATOM 186 C ILE A 23 10.529 -12.989 -5.941 1.00 0.00 ATOM 187 N ARG A 24 11.293 -12.360 -5.032 1.00 0.00 ATOM 188 CA ARG A 24 12.448 -12.998 -4.413 1.00 0.00 ATOM 189 CB ARG A 24 13.216 -11.999 -3.559 1.00 0.00 ATOM 190 CG ARG A 24 14.508 -12.531 -2.958 1.00 0.00 ATOM 191 CD ARG A 24 15.280 -11.529 -2.180 1.00 0.00 ATOM 192 NE ARG A 24 14.603 -11.038 -0.990 1.00 0.00 ATOM 193 CZ ARG A 24 14.530 -11.707 0.177 1.00 0.00 ATOM 194 NH1 ARG A 24 15.052 -12.906 0.306 1.00 0.00 ATOM 195 NH2 ARG A 24 13.895 -11.135 1.185 1.00 0.00 ATOM 196 O ARG A 24 12.927 -15.158 -3.446 1.00 0.00 ATOM 197 C ARG A 24 12.094 -14.250 -3.586 1.00 0.00 ATOM 198 N LEU A 25 10.915 -14.259 -2.991 1.00 0.00 ATOM 199 CA LEU A 25 10.590 -15.259 -1.955 1.00 0.00 ATOM 200 CB LEU A 25 10.178 -14.568 -0.648 1.00 0.00 ATOM 201 CG LEU A 25 9.834 -15.512 0.509 1.00 0.00 ATOM 202 CD1 LEU A 25 11.073 -16.284 0.941 1.00 0.00 ATOM 203 CD2 LEU A 25 9.267 -14.710 1.670 1.00 0.00 ATOM 204 O LEU A 25 9.581 -17.402 -1.921 1.00 0.00 ATOM 205 C LEU A 25 9.497 -16.246 -2.324 1.00 0.00 ATOM 206 N ILE A 26 8.452 -15.784 -3.004 1.00 0.00 ATOM 207 CA ILE A 26 7.409 -16.723 -3.450 1.00 0.00 ATOM 208 CB ILE A 26 6.113 -15.986 -3.834 1.00 0.00 ATOM 209 CG1 ILE A 26 5.651 -15.086 -2.685 1.00 0.00 ATOM 210 CG2 ILE A 26 5.025 -16.982 -4.205 1.00 0.00 ATOM 211 CD1 ILE A 26 5.587 -15.787 -1.347 1.00 0.00 ATOM 212 O ILE A 26 8.575 -16.989 -5.529 1.00 0.00 ATOM 213 C ILE A 26 7.971 -17.541 -4.610 1.00 0.00 ATOM 214 N GLN A 27 7.737 -18.835 -4.558 1.00 0.00 ATOM 215 CA GLN A 27 8.238 -19.723 -5.602 1.00 0.00 ATOM 216 CB GLN A 27 7.931 -21.175 -5.230 1.00 0.00 ATOM 217 CG GLN A 27 8.690 -21.680 -4.015 1.00 0.00 ATOM 218 CD GLN A 27 10.192 -21.668 -4.224 1.00 0.00 ATOM 219 OE1 GLN A 27 10.700 -22.200 -5.216 1.00 0.00 ATOM 220 NE2 GLN A 27 10.915 -21.062 -3.289 1.00 0.00 ATOM 221 O GLN A 27 6.374 -19.122 -6.993 1.00 0.00 ATOM 222 C GLN A 27 7.571 -19.410 -6.941 1.00 0.00 ATOM 223 N PRO A 28 8.332 -19.432 -8.048 1.00 0.00 ATOM 224 CA PRO A 28 7.798 -19.147 -9.379 1.00 0.00 ATOM 225 CB PRO A 28 8.956 -19.530 -10.293 1.00 0.00 ATOM 226 CG PRO A 28 10.142 -19.173 -9.470 1.00 0.00 ATOM 227 CD PRO A 28 9.772 -19.730 -8.120 1.00 0.00 ATOM 228 O PRO A 28 5.886 -19.732 -10.603 1.00 0.00 ATOM 229 C PRO A 28 6.674 -20.086 -9.735 1.00 0.00 ATOM 230 N GLU A 29 6.665 -21.290 -9.166 1.00 0.00 ATOM 231 CA GLU A 29 5.595 -22.289 -9.392 1.00 0.00 ATOM 232 CB GLU A 29 5.899 -23.580 -8.629 1.00 0.00 ATOM 233 CG GLU A 29 7.057 -24.389 -9.197 1.00 0.00 ATOM 234 CD GLU A 29 7.356 -25.590 -8.344 1.00 0.00 ATOM 235 OE1 GLU A 29 6.740 -25.733 -7.315 1.00 0.00 ATOM 236 OE2 GLU A 29 8.119 -26.424 -8.773 1.00 0.00 ATOM 237 O GLU A 29 3.207 -22.269 -9.452 1.00 0.00 ATOM 238 C GLU A 29 4.228 -21.763 -8.987 1.00 0.00 ATOM 239 N ASP A 30 4.191 -20.714 -8.117 1.00 0.00 ATOM 240 CA ASP A 30 2.916 -20.144 -7.679 1.00 0.00 ATOM 241 CB ASP A 30 2.945 -19.943 -6.160 1.00 0.00 ATOM 242 CG ASP A 30 3.293 -21.218 -5.409 1.00 0.00 ATOM 243 OD1 ASP A 30 2.624 -22.251 -5.638 1.00 0.00 ATOM 244 OD2 ASP A 30 4.233 -21.187 -4.589 1.00 0.00 ATOM 245 O ASP A 30 1.482 -18.243 -8.057 1.00 0.00 ATOM 246 C ASP A 30 2.524 -18.826 -8.372 1.00 0.00 ATOM 247 N TRP A 31 3.305 -18.380 -9.351 1.00 0.00 ATOM 248 CA TRP A 31 3.084 -17.070 -9.989 1.00 0.00 ATOM 249 CB TRP A 31 4.319 -16.590 -10.759 1.00 0.00 ATOM 250 CG TRP A 31 5.499 -16.250 -9.831 1.00 0.00 ATOM 251 CD1 TRP A 31 5.490 -16.182 -8.491 1.00 0.00 ATOM 252 CD2 TRP A 31 6.797 -15.967 -10.229 1.00 0.00 ATOM 253 CE2 TRP A 31 7.521 -15.738 -9.077 1.00 0.00 ATOM 254 CE3 TRP A 31 7.412 -15.886 -11.467 1.00 0.00 ATOM 255 NE1 TRP A 31 6.696 -15.869 -8.045 1.00 0.00 ATOM 256 CZ2 TRP A 31 8.872 -15.423 -9.144 1.00 0.00 ATOM 257 CZ3 TRP A 31 8.764 -15.569 -11.525 1.00 0.00 ATOM 258 CH2 TRP A 31 9.498 -15.339 -10.373 1.00 0.00 ATOM 259 O TRP A 31 1.252 -15.874 -10.979 1.00 0.00 ATOM 260 C TRP A 31 1.822 -16.959 -10.858 1.00 0.00 ATOM 261 N ASP A 32 1.351 -18.092 -11.374 1.00 0.00 ATOM 262 CA ASP A 32 0.141 -18.145 -12.222 1.00 0.00 ATOM 263 CB ASP A 32 0.367 -19.068 -13.422 1.00 0.00 ATOM 264 CG ASP A 32 0.646 -20.520 -13.055 1.00 0.00 ATOM 265 OD1 ASP A 32 0.711 -20.814 -11.883 1.00 0.00 ATOM 266 OD2 ASP A 32 0.636 -21.346 -13.934 1.00 0.00 ATOM 267 O ASP A 32 -2.175 -18.822 -12.134 1.00 0.00 ATOM 268 C ASP A 32 -1.143 -18.605 -11.507 1.00 0.00 ATOM 269 N LYS A 33 -1.089 -18.720 -10.185 1.00 0.00 ATOM 270 CA LYS A 33 -2.268 -19.172 -9.414 1.00 0.00 ATOM 271 CB LYS A 33 -1.812 -19.985 -8.190 1.00 0.00 ATOM 272 CG LYS A 33 -1.137 -21.306 -8.549 1.00 0.00 ATOM 273 CD LYS A 33 -0.667 -22.037 -7.295 1.00 0.00 ATOM 274 CE LYS A 33 0.051 -23.350 -7.606 1.00 0.00 ATOM 275 NZ LYS A 33 0.564 -23.980 -6.392 1.00 0.00 ATOM 276 O LYS A 33 -2.679 -17.113 -8.237 1.00 0.00 ATOM 277 C LYS A 33 -3.130 -18.003 -8.959 1.00 0.00 ATOM 278 N ARG A 34 -4.504 -17.946 -9.455 1.00 0.00 ATOM 279 CA ARG A 34 -5.349 -16.829 -9.085 1.00 0.00 ATOM 280 CB ARG A 34 -6.045 -16.138 -10.109 1.00 0.00 ATOM 281 CG ARG A 34 -7.053 -15.110 -9.601 1.00 0.00 ATOM 282 CD ARG A 34 -7.513 -14.158 -10.706 1.00 0.00 ATOM 283 NE ARG A 34 -8.179 -14.849 -11.808 1.00 0.00 ATOM 284 CZ ARG A 34 -7.602 -15.156 -12.969 1.00 0.00 ATOM 285 NH1 ARG A 34 -6.337 -14.830 -13.195 1.00 0.00 ATOM 286 NH2 ARG A 34 -8.289 -15.794 -13.905 1.00 0.00 ATOM 287 O ARG A 34 -6.365 -17.731 -7.111 1.00 0.00 ATOM 288 C ARG A 34 -5.635 -16.856 -7.584 1.00 0.00 ATOM 289 N PRO A 35 -4.898 -15.944 -6.814 1.00 0.00 ATOM 290 CA PRO A 35 -5.057 -15.885 -5.351 1.00 0.00 ATOM 291 CB PRO A 35 -4.323 -14.673 -4.932 1.00 0.00 ATOM 292 CG PRO A 35 -3.160 -14.651 -5.865 1.00 0.00 ATOM 293 CD PRO A 35 -3.802 -14.978 -7.186 1.00 0.00 ATOM 294 O PRO A 35 -7.236 -16.589 -4.536 1.00 0.00 ATOM 295 C PRO A 35 -6.524 -15.680 -4.975 1.00 0.00 ATOM 296 N ILE A 36 -6.968 -14.465 -5.282 1.00 0.00 ATOM 297 CA ILE A 36 -8.354 -13.990 -5.173 1.00 0.00 ATOM 298 CB ILE A 36 -8.530 -13.004 -3.991 1.00 0.00 ATOM 299 CG1 ILE A 36 -7.532 -11.849 -4.097 1.00 0.00 ATOM 300 CG2 ILE A 36 -8.346 -13.737 -2.657 1.00 0.00 ATOM 301 CD1 ILE A 36 -7.826 -10.720 -3.070 1.00 0.00 ATOM 302 O ILE A 36 -7.894 -12.771 -7.163 1.00 0.00 ATOM 303 C ILE A 36 -8.749 -13.305 -6.477 1.00 0.00 ATOM 304 N SER A 37 -10.019 -13.324 -6.790 1.00 0.00 ATOM 305 CA SER A 37 -10.511 -12.813 -8.092 1.00 0.00 ATOM 306 CB SER A 37 -11.992 -13.109 -8.223 1.00 0.00 ATOM 307 OG SER A 37 -12.749 -12.447 -7.248 1.00 0.00 ATOM 308 O SER A 37 -10.066 -10.813 -9.352 1.00 0.00 ATOM 309 C SER A 37 -10.298 -11.296 -8.248 1.00 0.00 ATOM 310 N GLY A 38 -10.310 -10.579 -7.122 1.00 0.00 ATOM 311 CA GLY A 38 -10.141 -9.124 -7.082 1.00 0.00 ATOM 312 O GLY A 38 -8.509 -7.441 -7.501 1.00 0.00 ATOM 313 C GLY A 38 -8.753 -8.641 -7.464 1.00 0.00 ATOM 314 N LYS A 39 -7.848 -9.511 -7.910 1.00 0.00 ATOM 315 CA LYS A 39 -6.479 -9.143 -8.275 1.00 0.00 ATOM 316 CB LYS A 39 -5.549 -8.842 -7.098 1.00 0.00 ATOM 317 CG LYS A 39 -4.169 -8.338 -7.499 1.00 0.00 ATOM 318 CD LYS A 39 -4.229 -6.907 -8.010 1.00 0.00 ATOM 319 CE LYS A 39 -2.851 -6.406 -8.422 1.00 0.00 ATOM 320 NZ LYS A 39 -2.913 -5.053 -9.036 1.00 0.00 ATOM 321 O LYS A 39 -6.369 -11.299 -9.405 1.00 0.00 ATOM 322 C LYS A 39 -5.835 -10.225 -9.174 1.00 0.00 ATOM 323 N ARG A 40 -4.857 -9.730 -9.929 1.00 0.00 ATOM 324 CA ARG A 40 -4.119 -10.515 -10.926 1.00 0.00 ATOM 325 CB ARG A 40 -3.270 -9.639 -11.835 1.00 0.00 ATOM 326 CG ARG A 40 -4.044 -8.592 -12.622 1.00 0.00 ATOM 327 CD ARG A 40 -4.867 -9.145 -13.729 1.00 0.00 ATOM 328 NE ARG A 40 -5.545 -8.141 -14.534 1.00 0.00 ATOM 329 CZ ARG A 40 -6.342 -8.414 -15.584 1.00 0.00 ATOM 330 NH1 ARG A 40 -6.537 -9.651 -15.985 1.00 0.00 ATOM 331 NH2 ARG A 40 -6.908 -7.401 -16.218 1.00 0.00 ATOM 332 O ARG A 40 -3.080 -11.505 -8.996 1.00 0.00 ATOM 333 C ARG A 40 -3.311 -11.581 -10.210 1.00 0.00 ATOM 334 N SER A 41 -2.943 -12.610 -10.945 1.00 0.00 ATOM 335 CA SER A 41 -1.913 -13.549 -10.465 1.00 0.00 ATOM 336 CB SER A 41 -1.693 -14.648 -11.485 1.00 0.00 ATOM 337 OG SER A 41 -1.105 -14.164 -12.662 1.00 0.00 ATOM 338 O SER A 41 -0.428 -11.650 -10.690 1.00 0.00 ATOM 339 C SER A 41 -0.616 -12.768 -10.192 1.00 0.00 ATOM 340 N VAL A 42 0.265 -13.358 -9.393 1.00 0.00 ATOM 341 CA VAL A 42 1.585 -12.741 -9.084 1.00 0.00 ATOM 342 CB VAL A 42 2.475 -13.692 -8.263 1.00 0.00 ATOM 343 CG1 VAL A 42 3.884 -13.130 -8.139 1.00 0.00 ATOM 344 CG2 VAL A 42 1.874 -13.928 -6.885 1.00 0.00 ATOM 345 O VAL A 42 2.954 -11.284 -10.407 1.00 0.00 ATOM 346 C VAL A 42 2.338 -12.349 -10.366 1.00 0.00 ATOM 347 N TYR A 43 2.322 -13.250 -11.344 1.00 0.00 ATOM 348 CA TYR A 43 2.998 -12.981 -12.622 1.00 0.00 ATOM 349 CB TYR A 43 2.831 -14.165 -13.576 1.00 0.00 ATOM 350 CG TYR A 43 3.452 -13.946 -14.938 1.00 0.00 ATOM 351 CD1 TYR A 43 4.818 -14.094 -15.130 1.00 0.00 ATOM 352 CD2 TYR A 43 2.670 -13.596 -16.029 1.00 0.00 ATOM 353 CE1 TYR A 43 5.391 -13.894 -16.371 1.00 0.00 ATOM 354 CE2 TYR A 43 3.231 -13.396 -17.274 1.00 0.00 ATOM 355 CZ TYR A 43 4.593 -13.546 -17.442 1.00 0.00 ATOM 356 OH TYR A 43 5.157 -13.349 -18.682 1.00 0.00 ATOM 357 O TYR A 43 3.147 -10.788 -13.629 1.00 0.00 ATOM 358 C TYR A 43 2.425 -11.689 -13.202 1.00 0.00 ATOM 359 N GLU A 44 1.088 -11.587 -13.256 1.00 0.00 ATOM 360 CA GLU A 44 0.452 -10.400 -13.797 1.00 0.00 ATOM 361 CB GLU A 44 -1.032 -10.707 -13.902 1.00 0.00 ATOM 362 CG GLU A 44 -1.448 -11.732 -14.958 1.00 0.00 ATOM 363 CD GLU A 44 -0.979 -11.306 -16.344 1.00 0.00 ATOM 364 OE1 GLU A 44 -1.363 -10.187 -16.762 1.00 0.00 ATOM 365 OE2 GLU A 44 -0.272 -12.134 -16.951 1.00 0.00 ATOM 366 O GLU A 44 0.938 -8.091 -13.576 1.00 0.00 ATOM 367 C GLU A 44 0.718 -9.154 -12.977 1.00 0.00 ATOM 368 N VAL A 45 0.755 -9.227 -11.628 1.00 0.00 ATOM 369 CA VAL A 45 1.108 -8.051 -10.805 1.00 0.00 ATOM 370 CB VAL A 45 0.994 -8.416 -9.313 1.00 0.00 ATOM 371 CG1 VAL A 45 1.445 -7.250 -8.444 1.00 0.00 ATOM 372 CG2 VAL A 45 -0.432 -8.813 -8.968 1.00 0.00 ATOM 373 O VAL A 45 2.774 -6.363 -11.221 1.00 0.00 ATOM 374 C VAL A 45 2.541 -7.565 -11.097 1.00 0.00 ATOM 375 N ALA A 46 3.456 -8.520 -11.149 1.00 0.00 ATOM 376 CA ALA A 46 4.874 -8.191 -11.358 1.00 0.00 ATOM 377 CB ALA A 46 5.709 -9.451 -11.252 1.00 0.00 ATOM 378 O ALA A 46 5.798 -6.489 -12.777 1.00 0.00 ATOM 379 C ALA A 46 5.058 -7.479 -12.691 1.00 0.00 ATOM 380 N VAL A 47 4.360 -7.966 -13.728 1.00 0.00 ATOM 381 CA VAL A 47 4.505 -7.372 -15.052 1.00 0.00 ATOM 382 CB VAL A 47 3.694 -8.188 -16.076 1.00 0.00 ATOM 383 CG1 VAL A 47 3.518 -7.400 -17.366 1.00 0.00 ATOM 384 CG2 VAL A 47 4.373 -9.519 -16.355 1.00 0.00 ATOM 385 O VAL A 47 4.641 -5.040 -15.568 1.00 0.00 ATOM 386 C VAL A 47 3.974 -5.930 -15.036 1.00 0.00 ATOM 387 N HIS A 48 2.906 -5.691 -14.268 1.00 0.00 ATOM 388 CA HIS A 48 2.302 -4.343 -14.134 1.00 0.00 ATOM 389 CB HIS A 48 1.006 -4.408 -13.318 1.00 0.00 ATOM 390 CG HIS A 48 0.371 -3.072 -13.091 1.00 0.00 ATOM 391 CD2 HIS A 48 0.294 -2.298 -11.982 1.00 0.00 ATOM 392 ND1 HIS A 48 -0.288 -2.382 -14.086 1.00 0.00 ATOM 393 CE1 HIS A 48 -0.743 -1.241 -13.598 1.00 0.00 ATOM 394 NE2 HIS A 48 -0.403 -1.168 -12.325 1.00 0.00 ATOM 395 O HIS A 48 3.367 -2.202 -13.851 1.00 0.00 ATOM 396 C HIS A 48 3.237 -3.362 -13.453 1.00 0.00 ATOM 397 N LEU A 49 3.893 -3.780 -12.344 1.00 0.00 ATOM 398 CA LEU A 49 4.796 -2.903 -11.608 1.00 0.00 ATOM 399 CB LEU A 49 5.312 -3.618 -10.360 1.00 0.00 ATOM 400 CG LEU A 49 4.271 -3.691 -9.262 1.00 0.00 ATOM 401 CD1 LEU A 49 4.825 -4.654 -8.220 1.00 0.00 ATOM 402 CD2 LEU A 49 4.049 -2.331 -8.601 1.00 0.00 ATOM 403 O LEU A 49 6.385 -1.349 -12.471 1.00 0.00 ATOM 404 C LEU A 49 5.991 -2.509 -12.458 1.00 0.00 ATOM 405 N ALA A 50 6.581 -3.469 -13.130 1.00 0.00 ATOM 406 CA ALA A 50 7.731 -3.193 -13.979 1.00 0.00 ATOM 407 CB ALA A 50 8.316 -4.567 -14.289 1.00 0.00 ATOM 408 O ALA A 50 8.051 -1.339 -15.493 1.00 0.00 ATOM 409 C ALA A 50 7.347 -2.302 -15.186 1.00 0.00 ATOM 410 N VAL A 51 6.160 -2.516 -15.743 1.00 0.00 ATOM 411 CA VAL A 51 5.627 -1.653 -16.821 1.00 0.00 ATOM 412 CB VAL A 51 4.297 -2.198 -17.375 1.00 0.00 ATOM 413 CG1 VAL A 51 3.609 -1.150 -18.237 1.00 0.00 ATOM 414 CG2 VAL A 51 4.532 -3.471 -18.175 1.00 0.00 ATOM 415 O VAL A 51 5.866 0.724 -16.981 1.00 0.00 ATOM 416 C VAL A 51 5.415 -0.201 -16.328 1.00 0.00 ATOM 417 N LEU A 52 4.851 -0.062 -15.134 1.00 0.00 ATOM 418 CA LEU A 52 4.569 1.268 -14.555 1.00 0.00 ATOM 419 CB LEU A 52 3.681 1.127 -13.312 1.00 0.00 ATOM 420 CG LEU A 52 3.301 2.446 -12.628 1.00 0.00 ATOM 421 CD1 LEU A 52 2.517 3.327 -13.591 1.00 0.00 ATOM 422 CD2 LEU A 52 2.483 2.153 -11.378 1.00 0.00 ATOM 423 O LEU A 52 5.972 3.201 -14.428 1.00 0.00 ATOM 424 C LEU A 52 5.861 2.007 -14.188 1.00 0.00 ATOM 425 N LEU A 53 6.806 1.321 -13.540 1.00 0.00 ATOM 426 CA LEU A 53 8.089 1.958 -13.240 1.00 0.00 ATOM 427 CB LEU A 53 9.032 1.007 -12.508 1.00 0.00 ATOM 428 CG LEU A 53 8.614 0.876 -11.038 1.00 0.00 ATOM 429 CD1 LEU A 53 9.263 -0.366 -10.402 1.00 0.00 ATOM 430 CD2 LEU A 53 9.028 2.131 -10.264 1.00 0.00 ATOM 431 O LEU A 53 9.331 3.535 -14.569 1.00 0.00 ATOM 432 C LEU A 53 8.779 2.434 -14.527 1.00 0.00 ATOM 433 N GLU A 54 8.730 1.597 -15.593 1.00 0.00 ATOM 434 CA GLU A 54 9.248 1.983 -16.910 1.00 0.00 ATOM 435 CB GLU A 54 8.955 0.815 -17.855 1.00 0.00 ATOM 436 CG GLU A 54 9.707 0.874 -19.178 1.00 0.00 ATOM 437 CD GLU A 54 9.344 -0.286 -20.064 1.00 0.00 ATOM 438 OE1 GLU A 54 9.474 -1.405 -19.628 1.00 0.00 ATOM 439 OE2 GLU A 54 8.835 -0.053 -21.134 1.00 0.00 ATOM 440 O GLU A 54 9.254 4.088 -18.047 1.00 0.00 ATOM 441 C GLU A 54 8.589 3.233 -17.463 1.00 0.00 ATOM 442 N ALA A 55 7.257 3.346 -17.264 1.00 0.00 ATOM 443 CA ALA A 55 6.466 4.474 -17.730 1.00 0.00 ATOM 444 CB ALA A 55 5.045 4.138 -17.303 1.00 0.00 ATOM 445 O ALA A 55 7.187 6.765 -17.750 1.00 0.00 ATOM 446 C ALA A 55 6.887 5.782 -17.071 1.00 0.00 ATOM 447 N ASP A 56 7.045 5.710 -15.754 1.00 0.00 ATOM 448 CA ASP A 56 7.501 6.838 -14.924 1.00 0.00 ATOM 449 CB ASP A 56 7.442 6.472 -13.440 1.00 0.00 ATOM 450 CG ASP A 56 6.032 6.401 -12.865 1.00 0.00 ATOM 451 OD1 ASP A 56 5.123 6.851 -13.518 1.00 0.00 ATOM 452 OD2 ASP A 56 5.857 5.762 -11.855 1.00 0.00 ATOM 453 O ASP A 56 9.225 8.474 -15.392 1.00 0.00 ATOM 454 C ASP A 56 8.924 7.284 -15.283 1.00 0.00 ATOM 455 N LEU A 57 9.764 6.297 -15.549 1.00 0.00 ATOM 456 CA LEU A 57 11.135 6.539 -16.019 1.00 0.00 ATOM 457 CB LEU A 57 11.907 5.217 -16.111 1.00 0.00 ATOM 458 CG LEU A 57 13.343 5.333 -16.637 1.00 0.00 ATOM 459 CD1 LEU A 57 14.084 4.021 -16.427 1.00 0.00 ATOM 460 CD2 LEU A 57 13.315 5.707 -18.111 1.00 0.00 ATOM 461 O LEU A 57 11.827 8.260 -17.553 1.00 0.00 ATOM 462 C LEU A 57 11.129 7.248 -17.366 1.00 0.00 ATOM 463 N ARG A 58 10.356 6.769 -18.330 1.00 0.00 ATOM 464 CA ARG A 58 10.239 7.431 -19.618 1.00 0.00 ATOM 465 CB ARG A 58 9.427 6.599 -20.602 1.00 0.00 ATOM 466 CG ARG A 58 10.122 5.344 -21.103 1.00 0.00 ATOM 467 CD ARG A 58 9.415 4.654 -22.213 1.00 0.00 ATOM 468 NE ARG A 58 10.069 3.442 -22.681 1.00 0.00 ATOM 469 CZ ARG A 58 9.548 2.597 -23.592 1.00 0.00 ATOM 470 NH1 ARG A 58 8.356 2.805 -24.108 1.00 0.00 ATOM 471 NH2 ARG A 58 10.258 1.538 -23.939 1.00 0.00 ATOM 472 O ARG A 58 10.075 9.752 -20.228 1.00 0.00 ATOM 473 C ARG A 58 9.664 8.850 -19.497 1.00 0.00 ATOM 474 N ILE A 59 8.829 9.095 -18.493 1.00 0.00 ATOM 475 CA ILE A 59 8.375 10.478 -18.180 1.00 0.00 ATOM 476 CB ILE A 59 7.608 10.688 -16.868 1.00 0.00 ATOM 477 CG1 ILE A 59 6.534 9.645 -16.629 1.00 0.00 ATOM 478 CG2 ILE A 59 7.069 12.124 -16.785 1.00 0.00 ATOM 479 CD1 ILE A 59 5.791 9.829 -15.310 1.00 0.00 ATOM 480 O ILE A 59 9.661 12.512 -18.191 1.00 0.00 ATOM 481 C ILE A 59 9.515 11.381 -17.741 1.00 0.00 ATOM 482 N ALA A 60 10.303 10.839 -16.869 1.00 0.00 ATOM 483 CA ALA A 60 11.451 11.593 -16.388 1.00 0.00 ATOM 484 CB ALA A 60 12.083 10.794 -15.254 1.00 0.00 ATOM 485 O ALA A 60 12.903 13.078 -17.601 1.00 0.00 ATOM 486 C ALA A 60 12.479 11.933 -17.491 1.00 0.00 ATOM 487 N THR A 61 12.610 11.004 -18.429 1.00 0.00 ATOM 488 CA THR A 61 13.535 11.127 -19.571 1.00 0.00 ATOM 489 CB THR A 61 13.832 9.756 -20.207 1.00 0.00 ATOM 490 CG2 THR A 61 14.777 9.908 -21.387 1.00 0.00 ATOM 491 OG1 THR A 61 14.426 8.892 -19.230 1.00 0.00 ATOM 492 O THR A 61 13.818 12.856 -21.207 1.00 0.00 ATOM 493 C THR A 61 13.041 12.057 -20.690 1.00 0.00 ATOM 494 N GLY A 62 11.750 11.938 -20.989 1.00 0.00 ATOM 495 CA GLY A 62 11.131 12.664 -22.100 1.00 0.00 ATOM 496 O GLY A 62 9.520 14.381 -22.528 1.00 0.00 ATOM 497 C GLY A 62 10.178 13.776 -21.680 1.00 0.00 ATOM 498 N ALA A 63 9.992 14.099 -20.394 1.00 0.00 ATOM 499 CA ALA A 63 9.089 15.121 -19.865 1.00 0.00 ATOM 500 CB ALA A 63 9.198 16.476 -20.574 1.00 0.00 ATOM 501 O ALA A 63 6.763 15.501 -19.374 1.00 0.00 ATOM 502 C ALA A 63 7.603 14.729 -19.838 1.00 0.00 ATOM 503 N THR A 64 7.277 13.555 -20.374 1.00 0.00 ATOM 504 CA THR A 64 5.874 13.090 -20.453 1.00 0.00 ATOM 505 CB THR A 64 5.311 13.263 -21.876 1.00 0.00 ATOM 506 CG2 THR A 64 3.828 12.875 -21.970 1.00 0.00 ATOM 507 OG1 THR A 64 5.473 14.617 -22.296 1.00 0.00 ATOM 508 O THR A 64 6.544 10.796 -20.337 1.00 0.00 ATOM 509 C THR A 64 5.723 11.653 -19.999 1.00 0.00 ATOM 510 N ALA A 65 4.607 11.367 -19.295 1.00 0.00 ATOM 511 CA ALA A 65 4.363 10.026 -18.796 1.00 0.00 ATOM 512 CB ALA A 65 3.132 10.018 -17.893 1.00 0.00 ATOM 513 O ALA A 65 3.351 9.213 -20.784 1.00 0.00 ATOM 514 C ALA A 65 4.120 8.980 -19.856 1.00 0.00 ATOM 515 N ASP A 66 4.712 7.808 -19.636 1.00 0.00 ATOM 516 CA ASP A 66 4.452 6.728 -20.602 1.00 0.00 ATOM 517 CB ASP A 66 5.738 6.439 -21.377 1.00 0.00 ATOM 518 CG ASP A 66 5.543 5.596 -22.630 1.00 0.00 ATOM 519 OD1 ASP A 66 4.425 5.471 -23.069 1.00 0.00 ATOM 520 OD2 ASP A 66 6.524 5.215 -23.225 1.00 0.00 ATOM 521 O ASP A 66 4.509 4.337 -20.206 1.00 0.00 ATOM 522 C ASP A 66 3.960 5.405 -19.981 1.00 0.00 ATOM 523 N GLU A 67 2.839 5.495 -19.243 1.00 0.00 ATOM 524 CA GLU A 67 2.085 4.328 -18.722 1.00 0.00 ATOM 525 CB GLU A 67 0.960 4.792 -17.796 1.00 0.00 ATOM 526 CG GLU A 67 -0.147 5.571 -18.492 1.00 0.00 ATOM 527 CD GLU A 67 0.229 7.017 -18.664 1.00 0.00 ATOM 528 OE1 GLU A 67 1.334 7.368 -18.330 1.00 0.00 ATOM 529 OE2 GLU A 67 -0.549 7.748 -19.235 1.00 0.00 ATOM 530 O GLU A 67 1.192 2.323 -19.699 1.00 0.00 ATOM 531 C GLU A 67 1.482 3.508 -19.862 1.00 0.00 ATOM 532 N MET A 68 1.401 4.165 -21.055 1.00 0.00 ATOM 533 CA MET A 68 0.912 3.515 -22.260 1.00 0.00 ATOM 534 CB MET A 68 0.560 4.589 -23.320 1.00 0.00 ATOM 535 CG MET A 68 -0.595 5.493 -22.910 1.00 0.00 ATOM 536 SD MET A 68 -1.071 6.599 -24.222 1.00 0.00 ATOM 537 CE MET A 68 0.445 7.546 -24.439 1.00 0.00 ATOM 538 O MET A 68 1.421 1.475 -23.390 1.00 0.00 ATOM 539 C MET A 68 1.879 2.436 -22.780 1.00 0.00 ATOM 540 N ALA A 69 3.182 2.563 -22.563 1.00 0.00 ATOM 541 CA ALA A 69 4.179 1.531 -23.004 1.00 0.00 ATOM 542 CB ALA A 69 5.588 2.076 -22.769 1.00 0.00 ATOM 543 O ALA A 69 3.455 0.057 -21.241 1.00 0.00 ATOM 544 C ALA A 69 3.954 0.166 -22.344 1.00 0.00 ATOM 545 N GLN A 70 4.568 -1.081 -22.968 1.00 0.00 ATOM 546 CA GLN A 70 4.386 -2.428 -22.451 1.00 0.00 ATOM 547 CB GLN A 70 3.932 -3.352 -23.690 1.00 0.00 ATOM 548 CG GLN A 70 5.066 -3.642 -24.662 1.00 0.00 ATOM 549 CD GLN A 70 4.593 -4.428 -25.881 1.00 0.00 ATOM 550 OE1 GLN A 70 3.858 -3.913 -26.727 1.00 0.00 ATOM 551 NE2 GLN A 70 5.005 -5.684 -25.966 1.00 0.00 ATOM 552 O GLN A 70 6.567 -2.705 -21.496 1.00 0.00 ATOM 553 C GLN A 70 5.488 -3.227 -21.779 1.00 0.00 ATOM 554 N PHE A 71 5.312 -4.621 -21.551 1.00 0.00 ATOM 555 CA PHE A 71 6.292 -5.504 -20.941 1.00 0.00 ATOM 556 CB PHE A 71 5.606 -6.515 -19.948 1.00 0.00 ATOM 557 CG PHE A 71 4.815 -7.608 -20.623 1.00 0.00 ATOM 558 CD1 PHE A 71 3.480 -7.427 -20.936 1.00 0.00 ATOM 559 CD2 PHE A 71 5.384 -8.849 -20.871 1.00 0.00 ATOM 560 CE1 PHE A 71 2.743 -8.442 -21.503 1.00 0.00 ATOM 561 CE2 PHE A 71 4.633 -9.868 -21.425 1.00 0.00 ATOM 562 CZ PHE A 71 3.318 -9.658 -21.736 1.00 0.00 ATOM 563 O PHE A 71 6.950 -6.421 -23.097 1.00 0.00 ATOM 564 C PHE A 71 7.237 -6.253 -21.899 1.00 0.00 ATOM 565 N TYR A 72 8.331 -6.731 -21.328 1.00 0.00 ATOM 566 CA TYR A 72 9.366 -7.483 -22.082 1.00 0.00 ATOM 567 CB TYR A 72 10.749 -6.989 -21.680 1.00 0.00 ATOM 568 CG TYR A 72 11.018 -5.579 -22.192 1.00 0.00 ATOM 569 CD1 TYR A 72 10.447 -4.498 -21.526 1.00 0.00 ATOM 570 CD2 TYR A 72 11.797 -5.376 -23.325 1.00 0.00 ATOM 571 CE1 TYR A 72 10.654 -3.214 -22.002 1.00 0.00 ATOM 572 CE2 TYR A 72 11.995 -4.092 -23.791 1.00 0.00 ATOM 573 CZ TYR A 72 11.424 -3.021 -23.131 1.00 0.00 ATOM 574 OH TYR A 72 11.732 -1.760 -23.511 1.00 0.00 ATOM 575 O TYR A 72 9.542 -9.589 -20.923 1.00 0.00 ATOM 576 C TYR A 72 9.236 -8.997 -21.955 1.00 0.00 ATOM 577 N ALA A 73 8.896 -9.603 -23.096 1.00 0.00 ATOM 578 CA ALA A 73 8.753 -11.064 -23.223 1.00 0.00 ATOM 579 CB ALA A 73 8.055 -11.446 -24.533 1.00 0.00 ATOM 580 O ALA A 73 10.135 -12.939 -22.627 1.00 0.00 ATOM 581 C ALA A 73 10.099 -11.799 -23.072 1.00 0.00 ATOM 582 N VAL A 74 11.192 -11.079 -23.323 1.00 0.00 ATOM 583 CA VAL A 74 12.589 -11.597 -23.207 1.00 0.00 ATOM 584 CB VAL A 74 13.580 -10.585 -23.683 1.00 0.00 ATOM 585 CG1 VAL A 74 15.016 -10.944 -23.389 1.00 0.00 ATOM 586 CG2 VAL A 74 13.408 -10.405 -25.202 1.00 0.00 ATOM 587 O VAL A 74 13.383 -12.997 -21.427 1.00 0.00 ATOM 588 C VAL A 74 13.082 -11.860 -21.776 1.00 0.00 ATOM 589 N PRO A 75 12.964 -10.948 -20.838 1.00 0.00 ATOM 590 CA PRO A 75 13.429 -11.131 -19.451 1.00 0.00 ATOM 591 CB PRO A 75 13.660 -9.711 -18.980 1.00 0.00 ATOM 592 CG PRO A 75 12.656 -8.914 -19.760 1.00 0.00 ATOM 593 CD PRO A 75 12.746 -9.520 -21.138 1.00 0.00 ATOM 594 O PRO A 75 11.236 -11.975 -18.827 1.00 0.00 ATOM 595 C PRO A 75 12.410 -11.757 -18.508 1.00 0.00 ATOM 596 N VAL A 76 12.892 -11.951 -17.182 1.00 0.00 ATOM 597 CA VAL A 76 12.083 -12.517 -16.135 1.00 0.00 ATOM 598 CB VAL A 76 12.856 -13.501 -15.237 1.00 0.00 ATOM 599 CG1 VAL A 76 13.191 -14.771 -16.005 1.00 0.00 ATOM 600 CG2 VAL A 76 14.124 -12.851 -14.703 1.00 0.00 ATOM 601 O VAL A 76 12.015 -10.192 -15.526 1.00 0.00 ATOM 602 C VAL A 76 11.596 -11.333 -15.311 1.00 0.00 ATOM 603 N LEU A 77 10.777 -11.510 -14.354 1.00 0.00 ATOM 604 CA LEU A 77 10.233 -10.469 -13.499 1.00 0.00 ATOM 605 CB LEU A 77 9.023 -11.014 -12.755 1.00 0.00 ATOM 606 CG LEU A 77 7.852 -11.319 -13.671 1.00 0.00 ATOM 607 CD1 LEU A 77 6.819 -12.135 -12.902 1.00 0.00 ATOM 608 CD2 LEU A 77 7.272 -10.015 -14.224 1.00 0.00 ATOM 609 O LEU A 77 11.311 -8.723 -12.301 1.00 0.00 ATOM 610 C LEU A 77 11.265 -9.946 -12.469 1.00 0.00 ATOM 611 N PRO A 78 12.001 -10.767 -11.710 1.00 0.00 ATOM 612 CA PRO A 78 12.928 -10.273 -10.657 1.00 0.00 ATOM 613 CB PRO A 78 13.555 -11.489 -9.986 1.00 0.00 ATOM 614 CG PRO A 78 13.341 -12.577 -11.033 1.00 0.00 ATOM 615 CD PRO A 78 12.017 -12.247 -11.708 1.00 0.00 ATOM 616 O PRO A 78 14.330 -8.324 -10.634 1.00 0.00 ATOM 617 C PRO A 78 14.067 -9.398 -11.180 1.00 0.00 ATOM 618 N GLU A 79 14.765 -9.889 -12.215 1.00 0.00 ATOM 619 CA GLU A 79 15.867 -9.106 -12.779 1.00 0.00 ATOM 620 CB GLU A 79 16.553 -9.927 -13.872 1.00 0.00 ATOM 621 CG GLU A 79 17.349 -11.118 -13.358 1.00 0.00 ATOM 622 CD GLU A 79 17.892 -11.943 -14.490 1.00 0.00 ATOM 623 OE1 GLU A 79 17.597 -11.634 -15.620 1.00 0.00 ATOM 624 OE2 GLU A 79 18.694 -12.810 -14.237 1.00 0.00 ATOM 625 O GLU A 79 15.885 -6.721 -12.972 1.00 0.00 ATOM 626 C GLU A 79 15.372 -7.770 -13.343 1.00 0.00 ATOM 627 N GLN A 80 14.183 -7.828 -13.942 1.00 0.00 ATOM 628 CA GLN A 80 13.535 -6.615 -14.488 1.00 0.00 ATOM 629 CB GLN A 80 12.324 -6.994 -15.348 1.00 0.00 ATOM 630 CG GLN A 80 11.630 -5.811 -15.999 1.00 0.00 ATOM 631 CD GLN A 80 10.473 -6.235 -16.887 1.00 0.00 ATOM 632 OE1 GLN A 80 10.147 -7.422 -16.978 1.00 0.00 ATOM 633 NE2 GLN A 80 9.852 -5.268 -17.550 1.00 0.00 ATOM 634 O GLN A 80 13.258 -4.466 -13.437 1.00 0.00 ATOM 635 C GLN A 80 13.100 -5.686 -13.348 1.00 0.00 ATOM 636 N LEU A 81 12.555 -6.252 -12.265 1.00 0.00 ATOM 637 CA LEU A 81 12.135 -5.457 -11.114 1.00 0.00 ATOM 638 CB LEU A 81 11.460 -6.374 -10.087 1.00 0.00 ATOM 639 CG LEU A 81 10.356 -5.717 -9.250 1.00 0.00 ATOM 640 CD1 LEU A 81 9.588 -6.777 -8.473 1.00 0.00 ATOM 641 CD2 LEU A 81 10.974 -4.696 -8.305 1.00 0.00 ATOM 642 O LEU A 81 13.271 -3.543 -10.239 1.00 0.00 ATOM 643 C LEU A 81 13.339 -4.736 -10.523 1.00 0.00 ATOM 644 N VAL A 82 14.469 -5.458 -10.337 1.00 0.00 ATOM 645 CA VAL A 82 15.689 -4.882 -9.778 1.00 0.00 ATOM 646 CB VAL A 82 16.741 -5.983 -9.537 1.00 0.00 ATOM 647 CG1 VAL A 82 18.086 -5.366 -9.187 1.00 0.00 ATOM 648 CG2 VAL A 82 16.283 -6.926 -8.435 1.00 0.00 ATOM 649 O VAL A 82 16.641 -2.720 -10.266 1.00 0.00 ATOM 650 C VAL A 82 16.288 -3.821 -10.699 1.00 0.00 ATOM 651 N ASP A 83 16.351 -4.123 -12.013 1.00 0.00 ATOM 652 CA ASP A 83 16.908 -3.248 -13.030 1.00 0.00 ATOM 653 CB ASP A 83 16.980 -3.948 -14.390 1.00 0.00 ATOM 654 CG ASP A 83 18.071 -5.008 -14.493 1.00 0.00 ATOM 655 OD1 ASP A 83 18.913 -5.051 -13.629 1.00 0.00 ATOM 656 OD2 ASP A 83 17.963 -5.859 -15.343 1.00 0.00 ATOM 657 O ASP A 83 16.623 -0.851 -13.166 1.00 0.00 ATOM 658 C ASP A 83 16.099 -1.962 -13.182 1.00 0.00 ATOM 659 N ARG A 84 14.782 -2.132 -13.197 1.00 0.00 ATOM 660 CA ARG A 84 13.863 -0.976 -13.305 1.00 0.00 ATOM 661 CB ARG A 84 12.423 -1.408 -13.545 1.00 0.00 ATOM 662 CG ARG A 84 12.141 -1.948 -14.937 1.00 0.00 ATOM 663 CD ARG A 84 12.204 -0.929 -16.015 1.00 0.00 ATOM 664 NE ARG A 84 11.880 -1.433 -17.340 1.00 0.00 ATOM 665 CZ ARG A 84 12.778 -1.951 -18.202 1.00 0.00 ATOM 666 NH1 ARG A 84 14.056 -2.002 -17.899 1.00 0.00 ATOM 667 NH2 ARG A 84 12.341 -2.386 -19.370 1.00 0.00 ATOM 668 O ARG A 84 14.032 1.159 -12.242 1.00 0.00 ATOM 669 C ARG A 84 13.946 -0.063 -12.091 1.00 0.00 ATOM 670 N LEU A 85 14.113 -0.662 -10.914 1.00 0.00 ATOM 671 CA LEU A 85 14.330 0.113 -9.678 1.00 0.00 ATOM 672 CB LEU A 85 14.303 -0.845 -8.453 1.00 0.00 ATOM 673 CG LEU A 85 14.571 -0.217 -7.067 1.00 0.00 ATOM 674 CD1 LEU A 85 13.619 0.963 -6.838 1.00 0.00 ATOM 675 CD2 LEU A 85 14.410 -1.274 -5.973 1.00 0.00 ATOM 676 O LEU A 85 15.712 2.051 -9.294 1.00 0.00 ATOM 677 C LEU A 85 15.662 0.870 -9.655 1.00 0.00 ATOM 678 N ASP A 86 16.741 0.183 -10.011 1.00 0.00 ATOM 679 CA ASP A 86 18.080 0.793 -10.004 1.00 0.00 ATOM 680 CB ASP A 86 19.162 -0.249 -10.278 1.00 0.00 ATOM 681 CG ASP A 86 19.342 -1.221 -9.103 1.00 0.00 ATOM 682 OD1 ASP A 86 18.875 -0.942 -7.978 1.00 0.00 ATOM 683 OD2 ASP A 86 20.145 -2.157 -9.260 1.00 0.00 ATOM 684 O ASP A 86 18.573 3.068 -10.635 1.00 0.00 ATOM 685 C ASP A 86 18.187 1.950 -10.998 1.00 0.00 ATOM 686 N GLN A 87 17.625 1.711 -12.180 1.00 0.00 ATOM 687 CA GLN A 87 17.647 2.709 -13.253 1.00 0.00 ATOM 688 CB GLN A 87 17.165 2.090 -14.568 1.00 0.00 ATOM 689 CG GLN A 87 18.125 1.079 -15.170 1.00 0.00 ATOM 690 CD GLN A 87 17.567 0.422 -16.419 1.00 0.00 ATOM 691 OE1 GLN A 87 16.418 0.660 -16.801 1.00 0.00 ATOM 692 NE2 GLN A 87 18.377 -0.415 -17.058 1.00 0.00 ATOM 693 O GLN A 87 17.185 5.039 -13.163 1.00 0.00 ATOM 694 C GLN A 87 16.779 3.910 -12.923 1.00 0.00 ATOM 695 N SER A 88 15.630 3.706 -12.233 1.00 0.00 ATOM 696 CA SER A 88 14.780 4.814 -11.824 1.00 0.00 ATOM 697 CB SER A 88 13.497 4.261 -11.236 1.00 0.00 ATOM 698 OG SER A 88 12.645 5.275 -10.779 1.00 0.00 ATOM 699 O SER A 88 15.197 6.949 -10.791 1.00 0.00 ATOM 700 C SER A 88 15.399 5.722 -10.772 1.00 0.00 ATOM 701 N TRP A 89 16.183 5.144 -9.878 1.00 0.00 ATOM 702 CA TRP A 89 16.923 5.904 -8.888 1.00 0.00 ATOM 703 CB TRP A 89 17.652 4.944 -7.936 1.00 0.00 ATOM 704 CG TRP A 89 18.453 5.703 -6.878 1.00 0.00 ATOM 705 CD1 TRP A 89 18.005 6.179 -5.722 1.00 0.00 ATOM 706 CD2 TRP A 89 19.799 6.056 -6.954 1.00 0.00 ATOM 707 CE2 TRP A 89 20.094 6.730 -5.779 1.00 0.00 ATOM 708 CE3 TRP A 89 20.780 5.873 -7.919 1.00 0.00 ATOM 709 NE1 TRP A 89 18.977 6.795 -5.067 1.00 0.00 ATOM 710 CZ2 TRP A 89 21.377 7.195 -5.552 1.00 0.00 ATOM 711 CZ3 TRP A 89 22.060 6.361 -7.688 1.00 0.00 ATOM 712 CH2 TRP A 89 22.360 7.008 -6.495 1.00 0.00 ATOM 713 O TRP A 89 18.067 7.993 -9.181 1.00 0.00 ATOM 714 C TRP A 89 17.959 6.820 -9.532 1.00 0.00 ATOM 715 N GLN A 90 18.600 6.273 -10.568 1.00 0.00 ATOM 716 CA GLN A 90 19.611 7.026 -11.328 1.00 0.00 ATOM 717 CB GLN A 90 20.289 6.121 -12.362 1.00 0.00 ATOM 718 CG GLN A 90 21.220 5.081 -11.765 1.00 0.00 ATOM 719 CD GLN A 90 21.773 4.130 -12.808 1.00 0.00 ATOM 720 OE1 GLN A 90 21.394 4.187 -13.982 1.00 0.00 ATOM 721 NE2 GLN A 90 22.670 3.247 -12.387 1.00 0.00 ATOM 722 O GLN A 90 19.584 9.305 -12.052 1.00 0.00 ATOM 723 C GLN A 90 19.024 8.219 -12.058 1.00 0.00 ATOM 724 N TYR A 91 17.858 8.030 -12.701 1.00 0.00 ATOM 725 CA TYR A 91 17.176 9.062 -13.440 1.00 0.00 ATOM 726 CB TYR A 91 16.067 8.502 -14.332 1.00 0.00 ATOM 727 CG TYR A 91 16.651 7.796 -15.557 1.00 0.00 ATOM 728 CD1 TYR A 91 17.124 8.557 -16.587 1.00 0.00 ATOM 729 CD2 TYR A 91 16.648 6.424 -15.738 1.00 0.00 ATOM 730 CE1 TYR A 91 17.590 8.015 -17.766 1.00 0.00 ATOM 731 CE2 TYR A 91 17.119 5.842 -16.907 1.00 0.00 ATOM 732 CZ TYR A 91 17.599 6.644 -17.939 1.00 0.00 ATOM 733 OH TYR A 91 18.110 6.088 -19.075 1.00 0.00 ATOM 734 O TYR A 91 16.686 11.365 -12.954 1.00 0.00 ATOM 735 C TYR A 91 16.652 10.210 -12.555 1.00 0.00 ATOM 736 N TYR A 92 16.169 9.864 -11.366 1.00 0.00 ATOM 737 CA TYR A 92 15.721 10.874 -10.373 1.00 0.00 ATOM 738 CB TYR A 92 15.205 10.179 -9.110 1.00 0.00 ATOM 739 CG TYR A 92 14.806 11.186 -8.026 1.00 0.00 ATOM 740 CD1 TYR A 92 13.588 11.841 -8.080 1.00 0.00 ATOM 741 CD2 TYR A 92 15.671 11.454 -6.963 1.00 0.00 ATOM 742 CE1 TYR A 92 13.233 12.753 -7.106 1.00 0.00 ATOM 743 CE2 TYR A 92 15.305 12.365 -5.989 1.00 0.00 ATOM 744 CZ TYR A 92 14.095 13.027 -6.055 1.00 0.00 ATOM 745 OH TYR A 92 13.759 13.938 -5.103 1.00 0.00 ATOM 746 O TYR A 92 16.691 13.066 -10.140 1.00 0.00 ATOM 747 C TYR A 92 16.840 11.853 -10.016 1.00 0.00 ATOM 748 N GLN A 93 17.996 11.261 -9.767 1.00 0.00 ATOM 749 CA GLN A 93 19.212 12.028 -9.458 1.00 0.00 ATOM 750 CB GLN A 93 20.389 11.160 -9.084 1.00 0.00 ATOM 751 CG GLN A 93 20.196 10.516 -7.729 1.00 0.00 ATOM 752 CD GLN A 93 20.109 11.517 -6.614 1.00 0.00 ATOM 753 OE1 GLN A 93 20.876 12.472 -6.455 1.00 0.00 ATOM 754 NE2 GLN A 93 19.081 11.386 -5.758 1.00 0.00 ATOM 755 O GLN A 93 20.209 13.960 -10.502 1.00 0.00 ATOM 756 C GLN A 93 19.753 12.828 -10.656 1.00 0.00 ATOM 757 N ASP A 94 19.489 12.316 -11.852 1.00 0.00 ATOM 758 CA ASP A 94 20.044 12.886 -13.109 1.00 0.00 ATOM 759 CB ASP A 94 21.164 12.022 -13.641 1.00 0.00 ATOM 760 CG ASP A 94 22.411 12.203 -12.719 1.00 0.00 ATOM 761 OD1 ASP A 94 22.476 13.216 -11.969 1.00 0.00 ATOM 762 OD2 ASP A 94 23.291 11.320 -12.804 1.00 0.00 ATOM 763 O ASP A 94 19.281 13.682 -15.214 1.00 0.00 ATOM 764 C ASP A 94 19.033 13.524 -14.016 1.00 0.00 ATOM 765 N ARG A 95 17.939 13.921 -13.424 1.00 0.00 ATOM 766 CA ARG A 95 16.918 14.615 -14.159 1.00 0.00 ATOM 767 CB ARG A 95 15.508 14.186 -13.780 1.00 0.00 ATOM 768 CG ARG A 95 14.422 14.640 -14.742 1.00 0.00 ATOM 769 CD ARG A 95 13.121 13.945 -14.570 1.00 0.00 ATOM 770 NE ARG A 95 12.521 14.109 -13.255 1.00 0.00 ATOM 771 CZ ARG A 95 12.560 13.186 -12.274 1.00 0.00 ATOM 772 NH1 ARG A 95 13.136 12.019 -12.465 1.00 0.00 ATOM 773 NH2 ARG A 95 11.982 13.477 -11.121 1.00 0.00 ATOM 774 O ARG A 95 17.547 16.682 -13.131 1.00 0.00 ATOM 775 C ARG A 95 17.135 16.120 -14.150 1.00 0.00 ATOM 776 N LEU A 96 16.984 16.594 -15.315 1.00 0.00 ATOM 777 CA LEU A 96 17.096 18.041 -15.486 1.00 0.00 ATOM 778 CB LEU A 96 17.994 18.303 -16.701 1.00 0.00 ATOM 779 CG LEU A 96 19.433 17.785 -16.573 1.00 0.00 ATOM 780 CD1 LEU A 96 20.190 18.017 -17.874 1.00 0.00 ATOM 781 CD2 LEU A 96 20.125 18.485 -15.414 1.00 0.00 ATOM 782 O LEU A 96 15.656 19.875 -15.912 1.00 0.00 ATOM 783 C LEU A 96 15.734 18.682 -15.697 1.00 0.00 ATOM 784 N MET A 97 14.680 17.943 -15.383 1.00 0.00 ATOM 785 CA MET A 97 13.314 18.526 -15.357 1.00 0.00 ATOM 786 CB MET A 97 12.211 17.536 -15.015 1.00 0.00 ATOM 787 CG MET A 97 11.898 16.610 -16.186 1.00 0.00 ATOM 788 SD MET A 97 11.572 17.440 -17.782 1.00 0.00 ATOM 789 CE MET A 97 13.195 17.213 -18.482 1.00 0.00 ATOM 790 O MET A 97 12.470 20.588 -14.577 1.00 0.00 ATOM 791 C MET A 97 13.177 19.632 -14.338 1.00 0.00 ATOM 792 N ALA A 98 13.811 19.408 -13.191 1.00 0.00 ATOM 793 CA ALA A 98 13.765 20.399 -12.115 1.00 0.00 ATOM 794 CB ALA A 98 14.241 19.714 -10.844 1.00 0.00 ATOM 795 O ALA A 98 14.064 22.748 -12.279 1.00 0.00 ATOM 796 C ALA A 98 14.550 21.659 -12.484 1.00 0.00 ATOM 797 N ASP A 99 15.655 21.523 -13.218 1.00 0.00 ATOM 798 CA ASP A 99 16.366 22.720 -13.714 1.00 0.00 ATOM 799 CB ASP A 99 17.622 22.391 -14.426 1.00 0.00 ATOM 800 CG ASP A 99 18.736 22.021 -13.458 1.00 0.00 ATOM 801 OD1 ASP A 99 18.604 22.318 -12.244 1.00 0.00 ATOM 802 OD2 ASP A 99 19.744 21.434 -13.914 1.00 0.00 ATOM 803 O ASP A 99 15.364 24.752 -14.542 1.00 0.00 ATOM 804 C ASP A 99 15.507 23.533 -14.681 1.00 0.00 ATOM 805 N PHE A 100 14.936 22.827 -15.647 1.00 0.00 ATOM 806 CA PHE A 100 13.998 23.423 -16.610 1.00 0.00 ATOM 807 CB PHE A 100 13.720 22.450 -17.758 1.00 0.00 ATOM 808 CG PHE A 100 14.867 22.301 -18.717 1.00 0.00 ATOM 809 CD1 PHE A 100 15.720 21.209 -18.637 1.00 0.00 ATOM 810 CD2 PHE A 100 15.098 23.252 -19.701 1.00 0.00 ATOM 811 CE1 PHE A 100 16.776 21.072 -19.518 1.00 0.00 ATOM 812 CE2 PHE A 100 16.151 23.115 -20.584 1.00 0.00 ATOM 813 CZ PHE A 100 16.992 22.024 -20.492 1.00 0.00 ATOM 814 O PHE A 100 12.247 23.112 -14.993 1.00 0.00 ATOM 815 C PHE A 100 12.710 23.799 -15.892 1.00 0.00 ATOM 816 N SER A 101 12.066 24.830 -16.421 1.00 0.00 ATOM 817 CA SER A 101 10.828 25.324 -15.797 1.00 0.00 ATOM 818 CB SER A 101 10.372 26.600 -16.480 1.00 0.00 ATOM 819 OG SER A 101 9.989 26.377 -17.810 1.00 0.00 ATOM 820 O SER A 101 8.792 24.411 -14.975 1.00 0.00 ATOM 821 C SER A 101 9.691 24.309 -15.806 1.00 0.00 ATOM 822 N THR A 102 9.739 23.359 -16.802 1.00 0.00 ATOM 823 CA THR A 102 8.617 22.408 -16.896 1.00 0.00 ATOM 824 CB THR A 102 8.226 22.155 -18.365 1.00 0.00 ATOM 825 CG2 THR A 102 7.112 21.109 -18.516 1.00 0.00 ATOM 826 OG1 THR A 102 7.795 23.376 -18.964 1.00 0.00 ATOM 827 O THR A 102 9.882 20.384 -16.625 1.00 0.00 ATOM 828 C THR A 102 8.976 21.097 -16.184 1.00 0.00 ATOM 829 N GLU A 103 8.234 20.810 -15.129 1.00 0.00 ATOM 830 CA GLU A 103 8.316 19.520 -14.443 1.00 0.00 ATOM 831 CB GLU A 103 7.369 19.488 -13.241 1.00 0.00 ATOM 832 CG GLU A 103 7.447 20.718 -12.347 1.00 0.00 ATOM 833 CD GLU A 103 7.250 21.981 -13.138 1.00 0.00 ATOM 834 OE1 GLU A 103 6.278 22.069 -13.850 1.00 0.00 ATOM 835 OE2 GLU A 103 8.009 22.901 -12.948 1.00 0.00 ATOM 836 O GLU A 103 8.550 18.245 -16.499 1.00 0.00 ATOM 837 C GLU A 103 7.996 18.353 -15.414 1.00 0.00 ATOM 838 N THR A 104 7.090 17.388 -14.986 1.00 0.00 ATOM 839 CA THR A 104 6.760 16.239 -15.830 1.00 0.00 ATOM 840 CB THR A 104 7.102 14.905 -15.158 1.00 0.00 ATOM 841 CG2 THR A 104 8.604 14.764 -14.948 1.00 0.00 ATOM 842 OG1 THR A 104 6.432 14.795 -13.897 1.00 0.00 ATOM 843 O THR A 104 4.484 16.817 -15.353 1.00 0.00 ATOM 844 C THR A 104 5.263 16.303 -16.154 1.00 0.00 ATOM 845 N THR A 105 4.943 16.102 -17.422 1.00 0.00 ATOM 846 CA THR A 105 3.538 16.062 -17.832 1.00 0.00 ATOM 847 CB THR A 105 3.381 16.488 -19.296 1.00 0.00 ATOM 848 CG2 THR A 105 1.935 16.379 -19.738 1.00 0.00 ATOM 849 OG1 THR A 105 3.827 17.834 -19.493 1.00 0.00 ATOM 850 O THR A 105 3.672 13.661 -17.945 1.00 0.00 ATOM 851 C THR A 105 3.000 14.644 -17.620 1.00 0.00 ATOM 852 N TYR A 106 1.754 14.587 -17.153 1.00 0.00 ATOM 853 CA TYR A 106 1.000 13.335 -17.049 1.00 0.00 ATOM 854 CB TYR A 106 1.065 12.800 -15.616 1.00 0.00 ATOM 855 CG TYR A 106 0.537 11.390 -15.464 1.00 0.00 ATOM 856 CD1 TYR A 106 0.067 10.683 -16.561 1.00 0.00 ATOM 857 CD2 TYR A 106 0.514 10.771 -14.223 1.00 0.00 ATOM 858 CE1 TYR A 106 -0.416 9.396 -16.426 1.00 0.00 ATOM 859 CE2 TYR A 106 0.033 9.484 -14.077 1.00 0.00 ATOM 860 CZ TYR A 106 -0.431 8.800 -15.181 1.00 0.00 ATOM 861 OH TYR A 106 -0.911 7.518 -15.042 1.00 0.00 ATOM 862 O TYR A 106 -1.238 14.064 -16.689 1.00 0.00 ATOM 863 C TYR A 106 -0.441 13.586 -17.487 1.00 0.00 ATOM 864 N TRP A 107 -0.631 13.449 -18.795 1.00 0.00 ATOM 865 CA TRP A 107 -1.908 13.779 -19.474 1.00 0.00 ATOM 866 CB TRP A 107 -2.372 12.926 -20.505 1.00 0.00 ATOM 867 CG TRP A 107 -1.619 13.107 -21.794 1.00 0.00 ATOM 868 CD1 TRP A 107 -1.013 14.248 -22.242 1.00 0.00 ATOM 869 CD2 TRP A 107 -1.421 12.119 -22.809 1.00 0.00 ATOM 870 CE2 TRP A 107 -0.679 12.729 -23.847 1.00 0.00 ATOM 871 CE3 TRP A 107 -1.794 10.776 -22.945 1.00 0.00 ATOM 872 NE1 TRP A 107 -0.445 14.026 -23.476 1.00 0.00 ATOM 873 CZ2 TRP A 107 -0.302 12.040 -25.008 1.00 0.00 ATOM 874 CZ3 TRP A 107 -1.418 10.088 -24.103 1.00 0.00 ATOM 875 CH2 TRP A 107 -0.681 10.725 -25.116 1.00 0.00 ATOM 876 O TRP A 107 -3.593 14.533 -17.961 1.00 0.00 ATOM 877 C TRP A 107 -2.779 14.823 -18.822 1.00 0.00 ATOM 878 N GLY A 108 -2.630 16.129 -19.305 1.00 0.00 ATOM 879 CA GLY A 108 -3.485 17.144 -18.731 1.00 0.00 ATOM 880 O GLY A 108 -2.882 19.023 -17.425 1.00 0.00 ATOM 881 C GLY A 108 -2.863 17.798 -17.490 1.00 0.00 ATOM 882 N VAL A 109 -2.227 17.003 -16.623 1.00 0.00 ATOM 883 CA VAL A 109 -1.658 17.504 -15.364 1.00 0.00 ATOM 884 CB VAL A 109 -1.918 16.632 -14.111 1.00 0.00 ATOM 885 CG1 VAL A 109 -3.431 16.318 -13.987 1.00 0.00 ATOM 886 CG2 VAL A 109 -1.099 15.318 -14.161 1.00 0.00 ATOM 887 O VAL A 109 0.494 16.995 -16.352 1.00 0.00 ATOM 888 C VAL A 109 -0.121 17.618 -15.488 1.00 0.00 ATOM 889 N THR A 110 0.416 18.486 -14.643 1.00 0.00 ATOM 890 CA THR A 110 1.865 18.671 -14.476 1.00 0.00 ATOM 891 CB THR A 110 2.277 20.121 -14.835 1.00 0.00 ATOM 892 CG2 THR A 110 3.775 20.326 -14.824 1.00 0.00 ATOM 893 OG1 THR A 110 1.829 20.389 -16.158 1.00 0.00 ATOM 894 O THR A 110 1.862 19.131 -12.103 1.00 0.00 ATOM 895 C THR A 110 2.270 18.403 -13.017 1.00 0.00 ATOM 896 N ASP A 111 3.315 17.611 -12.884 1.00 0.00 ATOM 897 CA ASP A 111 3.836 17.202 -11.553 1.00 0.00 ATOM 898 CB ASP A 111 3.719 15.687 -11.373 1.00 0.00 ATOM 899 CG ASP A 111 2.287 15.164 -11.369 1.00 0.00 ATOM 900 OD1 ASP A 111 1.503 15.643 -10.584 1.00 0.00 ATOM 901 OD2 ASP A 111 1.950 14.407 -12.248 1.00 0.00 ATOM 902 O ASP A 111 6.122 17.263 -12.184 1.00 0.00 ATOM 903 C ASP A 111 5.276 17.644 -11.389 1.00 0.00 ATOM 904 N SER A 112 5.581 18.224 -10.223 1.00 0.00 ATOM 905 CA SER A 112 6.967 18.505 -9.838 1.00 0.00 ATOM 906 CB SER A 112 6.996 19.335 -8.569 1.00 0.00 ATOM 907 OG SER A 112 6.545 18.612 -7.455 1.00 0.00 ATOM 908 O SER A 112 7.133 16.119 -9.630 1.00 0.00 ATOM 909 C SER A 112 7.738 17.201 -9.662 1.00 0.00 ATOM 910 N THR A 113 9.080 17.287 -9.565 1.00 0.00 ATOM 911 CA THR A 113 9.861 16.068 -9.396 1.00 0.00 ATOM 912 CB THR A 113 11.368 16.384 -9.437 1.00 0.00 ATOM 913 CG2 THR A 113 11.754 16.968 -10.787 1.00 0.00 ATOM 914 OG1 THR A 113 11.690 17.321 -8.403 1.00 0.00 ATOM 915 O THR A 113 9.394 14.194 -8.003 1.00 0.00 ATOM 916 C THR A 113 9.509 15.412 -8.072 1.00 0.00 ATOM 917 N THR A 114 9.289 16.247 -7.066 1.00 0.00 ATOM 918 CA THR A 114 8.887 15.772 -5.738 1.00 0.00 ATOM 919 CB THR A 114 8.816 16.926 -4.722 1.00 0.00 ATOM 920 CG2 THR A 114 8.346 16.418 -3.368 1.00 0.00 ATOM 921 OG1 THR A 114 10.112 17.522 -4.581 1.00 0.00 ATOM 922 O THR A 114 7.386 13.998 -5.191 1.00 0.00 ATOM 923 C THR A 114 7.527 15.062 -5.780 1.00 0.00 ATOM 924 N GLY A 115 6.562 15.673 -6.475 1.00 0.00 ATOM 925 CA GLY A 115 5.221 15.064 -6.626 1.00 0.00 ATOM 926 O GLY A 115 4.738 12.725 -6.845 1.00 0.00 ATOM 927 C GLY A 115 5.356 13.695 -7.277 1.00 0.00 ATOM 928 N TRP A 116 6.201 13.592 -8.332 1.00 0.00 ATOM 929 CA TRP A 116 6.408 12.326 -9.031 1.00 0.00 ATOM 930 CB TRP A 116 7.334 12.602 -10.226 1.00 0.00 ATOM 931 CG TRP A 116 7.804 11.314 -10.937 1.00 0.00 ATOM 932 CD1 TRP A 116 7.112 10.642 -11.844 1.00 0.00 ATOM 933 CD2 TRP A 116 8.974 10.603 -10.702 1.00 0.00 ATOM 934 CE2 TRP A 116 8.914 9.486 -11.524 1.00 0.00 ATOM 935 CE3 TRP A 116 10.083 10.798 -9.875 1.00 0.00 ATOM 936 NE1 TRP A 116 7.765 9.534 -12.200 1.00 0.00 ATOM 937 CZ2 TRP A 116 9.971 8.573 -11.535 1.00 0.00 ATOM 938 CZ3 TRP A 116 11.129 9.883 -9.893 1.00 0.00 ATOM 939 CH2 TRP A 116 11.067 8.775 -10.720 1.00 0.00 ATOM 940 O TRP A 116 6.708 10.101 -8.115 1.00 0.00 ATOM 941 C TRP A 116 7.066 11.277 -8.126 1.00 0.00 ATOM 942 N LEU A 117 8.006 11.755 -7.322 1.00 0.00 ATOM 943 CA LEU A 117 8.705 10.899 -6.352 1.00 0.00 ATOM 944 CB LEU A 117 9.791 11.712 -5.643 1.00 0.00 ATOM 945 CG LEU A 117 10.655 10.848 -4.730 1.00 0.00 ATOM 946 CD1 LEU A 117 11.195 9.719 -5.557 1.00 0.00 ATOM 947 CD2 LEU A 117 11.890 11.593 -4.283 1.00 0.00 ATOM 948 O LEU A 117 7.763 9.095 -5.048 1.00 0.00 ATOM 949 C LEU A 117 7.730 10.292 -5.336 1.00 0.00 ATOM 950 N LEU A 118 6.781 11.118 -4.910 1.00 0.00 ATOM 951 CA LEU A 118 5.734 10.686 -3.972 1.00 0.00 ATOM 952 CB LEU A 118 4.869 11.903 -3.564 1.00 0.00 ATOM 953 CG LEU A 118 3.689 11.583 -2.646 1.00 0.00 ATOM 954 CD1 LEU A 118 4.214 11.037 -1.327 1.00 0.00 ATOM 955 CD2 LEU A 118 2.854 12.833 -2.412 1.00 0.00 ATOM 956 O LEU A 118 4.523 8.597 -3.934 1.00 0.00 ATOM 957 C LEU A 118 4.793 9.629 -4.566 1.00 0.00 ATOM 958 N GLU A 119 4.298 9.897 -5.763 1.00 0.00 ATOM 959 CA GLU A 119 3.402 8.965 -6.456 1.00 0.00 ATOM 960 CB GLU A 119 2.889 9.584 -7.759 1.00 0.00 ATOM 961 CG GLU A 119 1.911 10.733 -7.567 1.00 0.00 ATOM 962 CD GLU A 119 0.697 10.294 -6.795 1.00 0.00 ATOM 963 OE1 GLU A 119 0.093 9.322 -7.177 1.00 0.00 ATOM 964 OE2 GLU A 119 0.441 10.863 -5.760 1.00 0.00 ATOM 965 O GLU A 119 3.465 6.548 -6.492 1.00 0.00 ATOM 966 C GLU A 119 4.073 7.610 -6.709 1.00 0.00 ATOM 967 N ALA A 120 5.327 7.654 -7.181 1.00 0.00 ATOM 968 CA ALA A 120 6.097 6.455 -7.477 1.00 0.00 ATOM 969 CB ALA A 120 7.473 6.730 -7.941 1.00 0.00 ATOM 970 O ALA A 120 5.957 4.399 -6.226 1.00 0.00 ATOM 971 C ALA A 120 6.234 5.605 -6.210 1.00 0.00 ATOM 972 N ALA A 121 6.649 6.220 -5.077 1.00 0.00 ATOM 973 CA ALA A 121 6.816 5.491 -3.821 1.00 0.00 ATOM 974 CB ALA A 121 7.438 6.432 -2.798 1.00 0.00 ATOM 975 O ALA A 121 5.400 3.849 -2.780 1.00 0.00 ATOM 976 C ALA A 121 5.488 4.977 -3.265 1.00 0.00 ATOM 977 N VAL A 122 4.427 5.812 -3.323 1.00 0.00 ATOM 978 CA VAL A 122 3.120 5.415 -2.830 1.00 0.00 ATOM 979 CB VAL A 122 2.149 6.677 -2.883 1.00 0.00 ATOM 980 CG1 VAL A 122 0.701 6.271 -2.588 1.00 0.00 ATOM 981 CG2 VAL A 122 2.603 7.695 -1.881 1.00 0.00 ATOM 982 O VAL A 122 1.908 3.348 -3.051 1.00 0.00 ATOM 983 C VAL A 122 2.562 4.224 -3.618 1.00 0.00 ATOM 984 N HIS A 123 2.821 4.220 -4.914 1.00 0.00 ATOM 985 CA HIS A 123 2.349 3.129 -5.793 1.00 0.00 ATOM 986 CB HIS A 123 2.610 3.467 -7.264 1.00 0.00 ATOM 987 CG HIS A 123 1.739 4.561 -7.795 1.00 0.00 ATOM 988 CD2 HIS A 123 0.615 5.126 -7.296 1.00 0.00 ATOM 989 ND1 HIS A 123 1.996 5.205 -8.987 1.00 0.00 ATOM 990 CE1 HIS A 123 1.066 6.120 -9.201 1.00 0.00 ATOM 991 NE2 HIS A 123 0.217 6.091 -8.188 1.00 0.00 ATOM 992 O HIS A 123 2.324 0.779 -5.330 1.00 0.00 ATOM 993 C HIS A 123 3.005 1.789 -5.464 1.00 0.00 ATOM 994 N LEU A 124 4.319 1.833 -5.210 1.00 0.00 ATOM 995 CA LEU A 124 5.043 0.622 -4.750 1.00 0.00 ATOM 996 CB LEU A 124 6.525 0.901 -4.675 1.00 0.00 ATOM 997 CG LEU A 124 7.145 1.223 -6.036 1.00 0.00 ATOM 998 CD1 LEU A 124 8.633 1.542 -5.965 1.00 0.00 ATOM 999 CD2 LEU A 124 6.983 0.075 -7.030 1.00 0.00 ATOM 1000 O LEU A 124 4.313 -1.031 -3.159 1.00 0.00 ATOM 1001 C LEU A 124 4.468 0.163 -3.410 1.00 0.00 ATOM 1002 N TYR A 125 4.111 1.149 -2.514 1.00 0.00 ATOM 1003 CA TYR A 125 3.547 0.835 -1.205 1.00 0.00 ATOM 1004 CB TYR A 125 3.198 2.213 -0.626 1.00 0.00 ATOM 1005 CG TYR A 125 2.607 2.267 0.797 1.00 0.00 ATOM 1006 CD1 TYR A 125 3.416 2.856 1.746 1.00 0.00 ATOM 1007 CD2 TYR A 125 1.333 1.849 1.151 1.00 0.00 ATOM 1008 CE1 TYR A 125 2.975 3.007 3.048 1.00 0.00 ATOM 1009 CE2 TYR A 125 0.882 2.003 2.464 1.00 0.00 ATOM 1010 CZ TYR A 125 1.703 2.583 3.416 1.00 0.00 ATOM 1011 OH TYR A 125 1.249 2.862 4.660 1.00 0.00 ATOM 1012 O TYR A 125 1.863 -0.728 -0.514 1.00 0.00 ATOM 1013 C TYR A 125 2.176 0.171 -1.295 1.00 0.00 ATOM 1014 N HIS A 126 1.344 0.617 -2.224 1.00 0.00 ATOM 1015 CA HIS A 126 0.004 0.069 -2.421 1.00 0.00 ATOM 1016 CB HIS A 126 -0.733 0.895 -3.480 1.00 0.00 ATOM 1017 CG HIS A 126 -2.107 0.386 -3.791 1.00 0.00 ATOM 1018 CD2 HIS A 126 -2.586 -0.290 -4.861 1.00 0.00 ATOM 1019 ND1 HIS A 126 -3.176 0.558 -2.935 1.00 0.00 ATOM 1020 CE1 HIS A 126 -4.253 0.009 -3.466 1.00 0.00 ATOM 1021 NE2 HIS A 126 -3.923 -0.513 -4.633 1.00 0.00 ATOM 1022 O HIS A 126 -0.682 -2.247 -2.323 1.00 0.00 ATOM 1023 C HIS A 126 0.040 -1.403 -2.840 1.00 0.00 ATOM 1024 N HIS A 127 0.910 -1.686 -3.803 1.00 0.00 ATOM 1025 CA HIS A 127 1.089 -3.064 -4.312 1.00 0.00 ATOM 1026 CB HIS A 127 1.988 -3.071 -5.552 1.00 0.00 ATOM 1027 CG HIS A 127 1.321 -2.530 -6.780 1.00 0.00 ATOM 1028 CD2 HIS A 127 0.682 -3.156 -7.797 1.00 0.00 ATOM 1029 ND1 HIS A 127 1.268 -1.182 -7.065 1.00 0.00 ATOM 1030 CE1 HIS A 127 0.625 -1.002 -8.204 1.00 0.00 ATOM 1031 NE2 HIS A 127 0.258 -2.183 -8.669 1.00 0.00 ATOM 1032 O HIS A 127 1.251 -5.130 -3.107 1.00 0.00 ATOM 1033 C HIS A 127 1.663 -3.977 -3.232 1.00 0.00 ATOM 1034 N ARG A 128 2.618 -3.466 -2.400 1.00 0.00 ATOM 1035 CA ARG A 128 3.213 -4.259 -1.331 1.00 0.00 ATOM 1036 CB ARG A 128 4.102 -3.476 -0.372 1.00 0.00 ATOM 1037 CG ARG A 128 5.228 -2.739 -1.043 1.00 0.00 ATOM 1038 CD ARG A 128 6.149 -2.176 0.018 1.00 0.00 ATOM 1039 NE ARG A 128 5.547 -1.034 0.695 1.00 0.00 ATOM 1040 CZ ARG A 128 6.097 -0.440 1.751 1.00 0.00 ATOM 1041 NH1 ARG A 128 5.518 0.601 2.322 1.00 0.00 ATOM 1042 NH2 ARG A 128 7.250 -0.880 2.264 1.00 0.00 ATOM 1043 O ARG A 128 2.131 -5.852 0.076 1.00 0.00 ATOM 1044 C ARG A 128 2.135 -4.709 -0.358 1.00 0.00 ATOM 1045 N SER A 129 1.323 -3.736 0.053 1.00 0.00 ATOM 1046 CA SER A 129 0.276 -3.990 1.062 1.00 0.00 ATOM 1047 CB SER A 129 -0.392 -2.689 1.461 1.00 0.00 ATOM 1048 OG SER A 129 -1.410 -2.887 2.404 1.00 0.00 ATOM 1049 O SER A 129 -1.186 -5.887 1.266 1.00 0.00 ATOM 1050 C SER A 129 -0.742 -4.999 0.534 1.00 0.00 ATOM 1051 N GLN A 130 -1.114 -4.878 -0.755 1.00 0.00 ATOM 1052 CA GLN A 130 -2.072 -5.795 -1.374 1.00 0.00 ATOM 1053 CB GLN A 130 -2.348 -5.379 -2.822 1.00 0.00 ATOM 1054 CG GLN A 130 -3.129 -4.083 -2.959 1.00 0.00 ATOM 1055 CD GLN A 130 -4.513 -4.174 -2.346 1.00 0.00 ATOM 1056 OE1 GLN A 130 -5.245 -5.141 -2.574 1.00 0.00 ATOM 1057 NE2 GLN A 130 -4.882 -3.165 -1.566 1.00 0.00 ATOM 1058 O GLN A 130 -2.207 -8.162 -1.015 1.00 0.00 ATOM 1059 C GLN A 130 -1.513 -7.214 -1.390 1.00 0.00 ATOM 1060 N LEU A 131 -0.267 -7.368 -1.817 1.00 0.00 ATOM 1061 CA LEU A 131 0.356 -8.684 -1.873 1.00 0.00 ATOM 1062 CB LEU A 131 1.651 -8.585 -2.739 1.00 0.00 ATOM 1063 CG LEU A 131 1.440 -8.455 -4.255 1.00 0.00 ATOM 1064 CD1 LEU A 131 2.724 -8.095 -4.965 1.00 0.00 ATOM 1065 CD2 LEU A 131 0.874 -9.719 -4.847 1.00 0.00 ATOM 1066 O LEU A 131 0.609 -10.492 -0.294 1.00 0.00 ATOM 1067 C LEU A 131 0.640 -9.258 -0.486 1.00 0.00 ATOM 1068 N LEU A 132 0.915 -8.385 0.512 1.00 0.00 ATOM 1069 CA LEU A 132 1.145 -8.882 1.877 1.00 0.00 ATOM 1070 CB LEU A 132 1.260 -7.783 2.879 1.00 0.00 ATOM 1071 CG LEU A 132 2.604 -7.062 2.886 1.00 0.00 ATOM 1072 CD1 LEU A 132 2.524 -5.806 3.736 1.00 0.00 ATOM 1073 CD2 LEU A 132 3.674 -8.000 3.405 1.00 0.00 ATOM 1074 O LEU A 132 0.118 -10.858 2.739 1.00 0.00 ATOM 1075 C LEU A 132 -0.052 -9.698 2.364 1.00 0.00 ATOM 1076 N ASP A 133 -1.241 -9.178 2.069 1.00 0.00 ATOM 1077 CA ASP A 133 -2.501 -9.845 2.433 1.00 0.00 ATOM 1078 CB ASP A 133 -3.685 -8.890 2.255 1.00 0.00 ATOM 1079 CG ASP A 133 -3.770 -7.790 3.304 1.00 0.00 ATOM 1080 OD1 ASP A 133 -3.085 -7.887 4.295 1.00 0.00 ATOM 1081 OD2 ASP A 133 -4.397 -6.793 3.040 1.00 0.00 ATOM 1082 O ASP A 133 -3.091 -12.150 2.167 1.00 0.00 ATOM 1083 C ASP A 133 -2.765 -11.098 1.619 1.00 0.00 ATOM 1084 N TYR A 134 -2.474 -11.008 0.314 1.00 0.00 ATOM 1085 CA TYR A 134 -2.634 -12.159 -0.596 1.00 0.00 ATOM 1086 CB TYR A 134 -2.396 -11.735 -2.047 1.00 0.00 ATOM 1087 CG TYR A 134 -3.361 -10.681 -2.543 1.00 0.00 ATOM 1088 CD1 TYR A 134 -4.532 -10.405 -1.851 1.00 0.00 ATOM 1089 CD2 TYR A 134 -3.100 -9.965 -3.702 1.00 0.00 ATOM 1090 CE1 TYR A 134 -5.416 -9.444 -2.298 1.00 0.00 ATOM 1091 CE2 TYR A 134 -3.978 -9.002 -4.159 1.00 0.00 ATOM 1092 CZ TYR A 134 -5.136 -8.743 -3.455 1.00 0.00 ATOM 1093 OH TYR A 134 -6.014 -7.785 -3.907 1.00 0.00 ATOM 1094 O TYR A 134 -2.105 -14.458 -0.201 1.00 0.00 ATOM 1095 C TYR A 134 -1.689 -13.302 -0.276 1.00 0.00 ATOM 1096 N LEU A 135 -0.446 -12.957 0.033 1.00 0.00 ATOM 1097 CA LEU A 135 0.588 -13.950 0.368 1.00 0.00 ATOM 1098 CB LEU A 135 1.966 -13.319 0.526 1.00 0.00 ATOM 1099 CG LEU A 135 2.509 -12.907 -0.826 1.00 0.00 ATOM 1100 CD1 LEU A 135 3.792 -12.150 -0.567 1.00 0.00 ATOM 1101 CD2 LEU A 135 2.768 -14.128 -1.703 1.00 0.00 ATOM 1102 O LEU A 135 0.252 -15.906 1.646 1.00 0.00 ATOM 1103 C LEU A 135 0.298 -14.685 1.651 1.00 0.00 ATOM 1104 N ASN A 136 -0.083 -13.920 2.665 1.00 0.00 ATOM 1105 CA ASN A 136 -0.440 -14.518 3.959 1.00 0.00 ATOM 1106 CB ASN A 136 -0.672 -13.456 5.018 1.00 0.00 ATOM 1107 CG ASN A 136 0.592 -12.802 5.506 1.00 0.00 ATOM 1108 ND2 ASN A 136 0.429 -11.680 6.160 1.00 0.00 ATOM 1109 OD1 ASN A 136 1.693 -13.345 5.356 1.00 0.00 ATOM 1110 O ASN A 136 -1.763 -16.554 4.399 1.00 0.00 ATOM 1111 C ASN A 136 -1.691 -15.421 3.827 1.00 0.00 ATOM 1112 N LEU A 137 -2.694 -14.918 3.120 1.00 0.00 ATOM 1113 CA LEU A 137 -3.897 -15.721 2.886 1.00 0.00 ATOM 1114 CB LEU A 137 -4.958 -14.685 2.283 1.00 0.00 ATOM 1115 CG LEU A 137 -6.306 -15.326 1.933 1.00 0.00 ATOM 1116 CD1 LEU A 137 -7.109 -15.609 3.195 1.00 0.00 ATOM 1117 CD2 LEU A 137 -7.094 -14.408 0.999 1.00 0.00 ATOM 1118 O LEU A 137 -4.365 -17.991 2.288 1.00 0.00 ATOM 1119 C LEU A 137 -3.605 -17.038 2.161 1.00 0.00 ATOM 1120 N LEU A 138 -2.522 -17.042 1.395 1.00 0.00 ATOM 1121 CA LEU A 138 -2.076 -18.217 0.607 1.00 0.00 ATOM 1122 CB LEU A 138 -1.560 -17.729 -0.759 1.00 0.00 ATOM 1123 CG LEU A 138 -2.543 -16.979 -1.644 1.00 0.00 ATOM 1124 CD1 LEU A 138 -1.869 -16.606 -2.966 1.00 0.00 ATOM 1125 CD2 LEU A 138 -3.799 -17.792 -1.897 1.00 0.00 ATOM 1126 O LEU A 138 -0.549 -20.072 0.676 1.00 0.00 ATOM 1127 C LEU A 138 -1.006 -19.090 1.257 1.00 0.00 ATOM 1128 N GLY A 139 -0.542 -18.639 2.409 1.00 0.00 ATOM 1129 CA GLY A 139 0.351 -19.435 3.251 1.00 0.00 ATOM 1130 O GLY A 139 2.612 -19.655 3.673 1.00 0.00 ATOM 1131 C GLY A 139 1.775 -19.029 3.055 1.00 0.00 ATOM 1132 N TYR A 140 2.018 -17.979 2.292 1.00 0.00 ATOM 1133 CA TYR A 140 3.394 -17.552 2.051 1.00 0.00 ATOM 1134 CB TYR A 140 3.574 -17.183 0.544 1.00 0.00 ATOM 1135 CG TYR A 140 3.466 -18.372 -0.350 1.00 0.00 ATOM 1136 CD1 TYR A 140 2.236 -18.976 -0.576 1.00 0.00 ATOM 1137 CD2 TYR A 140 4.614 -18.986 -0.858 1.00 0.00 ATOM 1138 CE1 TYR A 140 2.150 -20.204 -1.282 1.00 0.00 ATOM 1139 CE2 TYR A 140 4.531 -20.201 -1.564 1.00 0.00 ATOM 1140 CZ TYR A 140 3.309 -20.792 -1.752 1.00 0.00 ATOM 1141 OH TYR A 140 3.226 -22.025 -2.344 1.00 0.00 ATOM 1142 O TYR A 140 3.100 -15.537 3.344 1.00 0.00 ATOM 1143 C TYR A 140 3.767 -16.558 3.162 1.00 0.00 ATOM 1144 N ASP A 141 4.687 -17.040 4.004 1.00 0.00 ATOM 1145 CA ASP A 141 5.129 -16.328 5.221 1.00 0.00 ATOM 1146 CB ASP A 141 5.906 -17.279 6.158 1.00 0.00 ATOM 1147 CG ASP A 141 6.404 -16.602 7.422 1.00 0.00 ATOM 1148 OD1 ASP A 141 5.865 -15.540 7.781 1.00 0.00 ATOM 1149 OD2 ASP A 141 7.331 -17.131 8.058 1.00 0.00 ATOM 1150 O ASP A 141 7.203 -15.040 5.079 1.00 0.00 ATOM 1151 C ASP A 141 5.981 -15.101 4.894 1.00 0.00 ATOM 1152 N ILE A 142 5.335 -14.126 4.271 1.00 0.00 ATOM 1153 CA ILE A 142 6.018 -12.866 3.940 1.00 0.00 ATOM 1154 CB ILE A 142 5.186 -12.010 2.969 1.00 0.00 ATOM 1155 CG1 ILE A 142 6.043 -10.890 2.375 1.00 0.00 ATOM 1156 CG2 ILE A 142 3.970 -11.431 3.680 1.00 0.00 ATOM 1157 CD1 ILE A 142 7.063 -11.373 1.368 1.00 0.00 ATOM 1158 O ILE A 142 5.482 -12.070 6.163 1.00 0.00 ATOM 1159 C ILE A 142 6.286 -12.103 5.240 1.00 0.00 ATOM 1160 N LYS A 143 7.482 -11.530 5.295 1.00 0.00 ATOM 1161 CA LYS A 143 7.883 -10.717 6.461 1.00 0.00 ATOM 1162 CB LYS A 143 9.398 -10.507 6.471 1.00 0.00 ATOM 1163 CG LYS A 143 10.207 -11.770 6.738 1.00 0.00 ATOM 1164 CD LYS A 143 11.698 -11.474 6.777 1.00 0.00 ATOM 1165 CE LYS A 143 12.509 -12.743 6.993 1.00 0.00 ATOM 1166 NZ LYS A 143 13.971 -12.468 7.044 1.00 0.00 ATOM 1167 O LYS A 143 7.024 -8.686 5.467 1.00 0.00 ATOM 1168 C LYS A 143 7.185 -9.354 6.482 1.00 0.00 ATOM 1169 N LEU A 144 6.774 -8.946 7.675 1.00 0.00 ATOM 1170 CA LEU A 144 6.143 -7.626 7.884 1.00 0.00 ATOM 1171 CB LEU A 144 5.310 -7.623 9.148 1.00 0.00 ATOM 1172 CG LEU A 144 4.104 -8.571 9.126 1.00 0.00 ATOM 1173 CD1 LEU A 144 3.327 -8.463 10.420 1.00 0.00 ATOM 1174 CD2 LEU A 144 3.212 -8.325 7.915 1.00 0.00 ATOM 1175 O LEU A 144 6.910 -5.378 7.634 1.00 0.00 ATOM 1176 C LEU A 144 7.168 -6.495 8.068 1.00 0.00 ATOM 1177 N ASP A 145 8.379 -6.882 8.454 1.00 0.00 ATOM 1178 CA ASP A 145 9.478 -5.938 8.718 1.00 0.00 ATOM 1179 CB ASP A 145 10.642 -6.666 9.397 1.00 0.00 ATOM 1180 CG ASP A 145 10.372 -7.078 10.838 1.00 0.00 ATOM 1181 OD1 ASP A 145 9.410 -6.609 11.400 1.00 0.00 ATOM 1182 OD2 ASP A 145 11.033 -7.969 11.313 1.00 0.00 ATOM 1183 O ASP A 145 10.265 -4.113 7.398 1.00 0.00 ATOM 1184 C ASP A 145 9.955 -5.296 7.424 1.00 0.00 ATOM 1185 N LEU A 146 10.045 -6.061 6.361 1.00 0.00 ATOM 1186 CA LEU A 146 10.488 -5.525 5.073 1.00 0.00 ATOM 1187 CB LEU A 146 10.330 -6.673 4.068 1.00 0.00 ATOM 1188 CG LEU A 146 11.147 -7.932 4.380 1.00 0.00 ATOM 1189 CD1 LEU A 146 10.610 -9.115 3.584 1.00 0.00 ATOM 1190 CD2 LEU A 146 12.611 -7.682 4.054 1.00 0.00 ATOM 1191 O LEU A 146 10.147 -3.286 4.276 1.00 0.00 ATOM 1192 C LEU A 146 9.632 -4.332 4.665 1.00 0.00 ATOM 1193 N PHE A 147 8.350 -4.504 4.773 1.00 0.00 ATOM 1194 CA PHE A 147 7.409 -3.448 4.421 1.00 0.00 ATOM 1195 CB PHE A 147 6.009 -4.034 4.599 1.00 0.00 ATOM 1196 CG PHE A 147 4.885 -3.145 4.147 1.00 0.00 ATOM 1197 CD1 PHE A 147 4.255 -3.352 2.923 1.00 0.00 ATOM 1198 CD2 PHE A 147 4.416 -2.115 4.954 1.00 0.00 ATOM 1199 CE1 PHE A 147 3.201 -2.578 2.531 1.00 0.00 ATOM 1200 CE2 PHE A 147 3.385 -1.333 4.549 1.00 0.00 ATOM 1201 CZ PHE A 147 2.779 -1.565 3.333 1.00 0.00 ATOM 1202 O PHE A 147 7.560 -1.097 4.839 1.00 0.00 ATOM 1203 C PHE A 147 7.599 -2.231 5.306 1.00 0.00 ATOM 1204 N GLU A 148 7.754 -2.452 6.601 1.00 0.00 ATOM 1205 CA GLU A 148 7.877 -1.366 7.547 1.00 0.00 ATOM 1206 CB GLU A 148 7.788 -1.901 8.971 1.00 0.00 ATOM 1207 CG GLU A 148 6.430 -2.456 9.362 1.00 0.00 ATOM 1208 CD GLU A 148 6.370 -2.859 10.821 1.00 0.00 ATOM 1209 OE1 GLU A 148 7.444 -3.168 11.395 1.00 0.00 ATOM 1210 OE2 GLU A 148 5.267 -2.850 11.402 1.00 0.00 ATOM 1211 O GLU A 148 9.192 0.611 7.327 1.00 0.00 ATOM 1212 C GLU A 148 9.169 -0.606 7.328 1.00 0.00 ENDMDL EXPDTA 2hkvA MODEL 2 REMARK 44 REMARK 44 model 2 is called 2hkvA ATOM 1 N MET A 1 21.756 16.450 -1.237 1.00 0.00 ATOM 2 CA MET A 1 20.366 16.353 -1.598 1.00 0.00 ATOM 3 CB MET A 1 19.941 14.881 -1.708 1.00 0.00 ATOM 4 CG MET A 1 20.366 14.122 -0.526 1.00 0.00 ATOM 5 SD MET A 1 19.948 12.180 -0.577 1.00 0.00 ATOM 6 CE MET A 1 20.314 11.791 1.392 1.00 0.00 ATOM 7 O MET A 1 19.987 17.178 0.604 1.00 0.00 ATOM 8 C MET A 1 19.551 17.020 -0.523 1.00 0.00 ATOM 9 N THR A 2 18.345 17.419 -0.860 1.00 0.00 ATOM 10 CA THR A 2 17.469 18.050 0.113 1.00 0.00 ATOM 11 CB THR A 2 16.280 18.705 -0.637 1.00 0.00 ATOM 12 CG2 THR A 2 16.765 19.734 -1.711 1.00 0.00 ATOM 13 OG1 THR A 2 15.536 17.679 -1.266 1.00 0.00 ATOM 14 O THR A 2 16.953 15.826 0.902 1.00 0.00 ATOM 15 C THR A 2 16.881 17.060 1.092 1.00 0.00 ATOM 16 N ASP A 3 16.250 17.589 2.129 1.00 0.00 ATOM 17 CA ASP A 3 15.625 16.726 3.115 1.00 0.00 ATOM 18 CB ASP A 3 15.136 17.557 4.302 1.00 0.00 ATOM 19 CG ASP A 3 16.228 17.726 5.379 1.00 0.00 ATOM 20 OD1 ASP A 3 17.415 17.804 4.996 1.00 0.00 ATOM 21 OD2 ASP A 3 15.900 17.728 6.597 1.00 0.00 ATOM 22 O ASP A 3 14.401 14.652 2.857 1.00 0.00 ATOM 23 C ASP A 3 14.512 15.841 2.506 1.00 0.00 ATOM 24 N TRP A 4 13.746 16.367 1.552 1.00 0.00 ATOM 25 CA TRP A 4 12.738 15.528 0.879 1.00 0.00 ATOM 26 CB TRP A 4 11.700 16.365 0.103 1.00 0.00 ATOM 27 CG TRP A 4 12.200 17.079 -1.134 1.00 0.00 ATOM 28 CD1 TRP A 4 12.672 18.352 -1.221 1.00 0.00 ATOM 29 CD2 TRP A 4 12.221 16.561 -2.457 1.00 0.00 ATOM 30 CE2 TRP A 4 12.739 17.569 -3.302 1.00 0.00 ATOM 31 CE3 TRP A 4 11.846 15.331 -3.021 1.00 0.00 ATOM 32 NE1 TRP A 4 13.048 18.657 -2.521 1.00 0.00 ATOM 33 CZ2 TRP A 4 12.892 17.382 -4.696 1.00 0.00 ATOM 34 CZ3 TRP A 4 12.008 15.143 -4.376 1.00 0.00 ATOM 35 CH2 TRP A 4 12.517 16.170 -5.207 1.00 0.00 ATOM 36 O TRP A 4 12.912 13.357 -0.095 1.00 0.00 ATOM 37 C TRP A 4 13.387 14.482 -0.022 1.00 0.00 ATOM 38 N GLN A 5 14.484 14.822 -0.732 1.00 0.00 ATOM 39 CA GLN A 5 15.173 13.821 -1.547 1.00 0.00 ATOM 40 CB GLN A 5 16.298 14.432 -2.356 1.00 0.00 ATOM 41 CG GLN A 5 15.789 15.345 -3.507 1.00 0.00 ATOM 42 CD GLN A 5 16.800 16.329 -4.070 1.00 0.00 ATOM 43 OE1 GLN A 5 17.720 16.787 -3.418 1.00 0.00 ATOM 44 NE2 GLN A 5 16.557 16.697 -5.311 1.00 0.00 ATOM 45 O GLN A 5 15.694 11.520 -1.062 1.00 0.00 ATOM 46 C GLN A 5 15.746 12.710 -0.686 1.00 0.00 ATOM 47 N GLN A 6 16.309 13.096 0.469 1.00 0.00 ATOM 48 CA GLN A 6 16.815 12.125 1.446 1.00 0.00 ATOM 49 CB GLN A 6 17.384 12.870 2.645 1.00 0.00 ATOM 50 CG GLN A 6 17.827 11.982 3.746 1.00 0.00 ATOM 51 CD GLN A 6 18.436 12.755 4.967 1.00 0.00 ATOM 52 OE1 GLN A 6 17.892 13.768 5.480 1.00 0.00 ATOM 53 NE2 GLN A 6 19.593 12.273 5.414 1.00 0.00 ATOM 54 O GLN A 6 15.915 9.967 2.015 1.00 0.00 ATOM 55 C GLN A 6 15.715 11.184 1.918 1.00 0.00 ATOM 56 N ALA A 7 14.547 11.747 2.192 1.00 0.00 ATOM 57 CA ALA A 7 13.379 10.994 2.692 1.00 0.00 ATOM 58 CB ALA A 7 12.308 11.919 2.989 1.00 0.00 ATOM 59 O ALA A 7 12.643 8.825 1.920 1.00 0.00 ATOM 60 C ALA A 7 12.898 10.002 1.644 1.00 0.00 ATOM 61 N LEU A 8 12.793 10.483 0.406 1.00 0.00 ATOM 62 CA LEU A 8 12.393 9.596 -0.669 1.00 0.00 ATOM 63 CB LEU A 8 12.064 10.338 -1.959 1.00 0.00 ATOM 64 CG LEU A 8 10.722 11.061 -2.051 1.00 0.00 ATOM 65 CD1 LEU A 8 10.665 12.010 -3.284 1.00 0.00 ATOM 66 CD2 LEU A 8 9.560 10.056 -1.990 1.00 0.00 ATOM 67 O LEU A 8 12.998 7.348 -1.082 1.00 0.00 ATOM 68 C LEU A 8 13.411 8.478 -0.900 1.00 0.00 ATOM 69 N ASP A 9 14.704 8.805 -0.953 1.00 0.00 ATOM 70 CA ASP A 9 15.740 7.793 -1.150 1.00 0.00 ATOM 71 CB ASP A 9 17.105 8.446 -1.189 1.00 0.00 ATOM 72 CG ASP A 9 18.209 7.479 -1.525 1.00 0.00 ATOM 73 OD1 ASP A 9 18.159 6.903 -2.615 1.00 0.00 ATOM 74 OD2 ASP A 9 19.123 7.280 -0.690 1.00 0.00 ATOM 75 O ASP A 9 15.704 5.508 -0.284 1.00 0.00 ATOM 76 C ASP A 9 15.629 6.720 -0.034 1.00 0.00 ATOM 77 N ARG A 10 15.405 7.166 1.184 1.00 0.00 ATOM 78 CA ARG A 10 15.278 6.231 2.341 1.00 0.00 ATOM 79 CB ARG A 10 15.213 7.030 3.636 1.00 0.00 ATOM 80 CG ARG A 10 14.965 6.206 4.892 1.00 0.00 ATOM 81 CD ARG A 10 15.170 6.996 6.145 1.00 0.00 ATOM 82 NE ARG A 10 14.807 6.216 7.341 1.00 0.00 ATOM 83 CZ ARG A 10 15.178 6.540 8.583 1.00 0.00 ATOM 84 NH1 ARG A 10 15.896 7.599 8.808 1.00 0.00 ATOM 85 NH2 ARG A 10 14.821 5.755 9.606 1.00 0.00 ATOM 86 O ARG A 10 14.195 4.069 2.233 1.00 0.00 ATOM 87 C ARG A 10 14.066 5.295 2.202 1.00 0.00 ATOM 88 N HIS A 11 12.891 5.896 2.072 1.00 0.00 ATOM 89 CA HIS A 11 11.630 5.177 2.120 1.00 0.00 ATOM 90 CB HIS A 11 10.491 6.121 2.596 1.00 0.00 ATOM 91 CG HIS A 11 10.643 6.534 4.026 1.00 0.00 ATOM 92 CD2 HIS A 11 11.204 7.627 4.592 1.00 0.00 ATOM 93 ND1 HIS A 11 10.250 5.713 5.081 1.00 0.00 ATOM 94 CE1 HIS A 11 10.592 6.290 6.221 1.00 0.00 ATOM 95 NE2 HIS A 11 11.187 7.437 5.962 1.00 0.00 ATOM 96 O HIS A 11 10.830 3.303 0.868 1.00 0.00 ATOM 97 C HIS A 11 11.335 4.445 0.840 1.00 0.00 ATOM 98 N VAL A 12 11.671 5.018 -0.312 1.00 0.00 ATOM 99 CA VAL A 12 11.528 4.249 -1.543 1.00 0.00 ATOM 100 CB VAL A 12 11.573 5.100 -2.853 1.00 0.00 ATOM 101 CG1 VAL A 12 11.380 4.169 -4.042 1.00 0.00 ATOM 102 CG2 VAL A 12 10.497 6.172 -2.881 1.00 0.00 ATOM 103 O VAL A 12 12.280 1.999 -2.027 1.00 0.00 ATOM 104 C VAL A 12 12.568 3.109 -1.591 1.00 0.00 ATOM 105 N GLY A 13 13.771 3.348 -1.090 1.00 0.00 ATOM 106 CA GLY A 13 14.771 2.257 -0.996 1.00 0.00 ATOM 107 O GLY A 13 14.540 -0.094 -0.430 1.00 0.00 ATOM 108 C GLY A 13 14.291 1.089 -0.121 1.00 0.00 ATOM 109 N VAL A 14 13.622 1.388 0.993 1.00 0.00 ATOM 110 CA VAL A 14 13.052 0.324 1.821 1.00 0.00 ATOM 111 CB VAL A 14 12.291 0.836 3.109 1.00 0.00 ATOM 112 CG1 VAL A 14 11.500 -0.290 3.766 1.00 0.00 ATOM 113 CG2 VAL A 14 13.238 1.526 4.152 1.00 0.00 ATOM 114 O VAL A 14 12.007 -1.671 1.045 1.00 0.00 ATOM 115 C VAL A 14 12.037 -0.439 1.020 1.00 0.00 ATOM 116 N GLY A 15 11.131 0.309 0.392 1.00 0.00 ATOM 117 CA GLY A 15 10.134 -0.266 -0.506 1.00 0.00 ATOM 118 O GLY A 15 10.231 -2.306 -1.742 1.00 0.00 ATOM 119 C GLY A 15 10.732 -1.205 -1.521 1.00 0.00 ATOM 120 N VAL A 16 11.816 -0.796 -2.141 1.00 0.00 ATOM 121 CA VAL A 16 12.434 -1.591 -3.176 1.00 0.00 ATOM 122 CB VAL A 16 13.431 -0.746 -3.991 1.00 0.00 ATOM 123 CG1 VAL A 16 14.321 -1.645 -4.902 1.00 0.00 ATOM 124 CG2 VAL A 16 12.670 0.310 -4.810 1.00 0.00 ATOM 125 O VAL A 16 12.983 -3.907 -3.092 1.00 0.00 ATOM 126 C VAL A 16 13.141 -2.808 -2.590 1.00 0.00 ATOM 127 N ARG A 17 13.900 -2.630 -1.511 1.00 0.00 ATOM 128 CA ARG A 17 14.590 -3.796 -0.967 1.00 0.00 ATOM 129 CB ARG A 17 15.596 -3.404 0.070 1.00 0.00 ATOM 130 CG ARG A 17 16.717 -2.600 -0.563 1.00 0.00 ATOM 131 CD ARG A 17 17.835 -2.332 0.384 1.00 0.00 ATOM 132 NE ARG A 17 17.336 -1.673 1.574 1.00 0.00 ATOM 133 CZ ARG A 17 17.316 -0.357 1.785 1.00 0.00 ATOM 134 NH1 ARG A 17 17.779 0.526 0.872 1.00 0.00 ATOM 135 NH2 ARG A 17 16.807 0.072 2.946 1.00 0.00 ATOM 136 O ARG A 17 13.894 -6.081 -0.599 1.00 0.00 ATOM 137 C ARG A 17 13.657 -4.870 -0.406 1.00 0.00 ATOM 138 N THR A 18 12.600 -4.443 0.282 1.00 0.00 ATOM 139 CA THR A 18 11.587 -5.388 0.753 1.00 0.00 ATOM 140 CB THR A 18 10.627 -4.767 1.759 1.00 0.00 ATOM 141 CG2 THR A 18 11.395 -4.394 3.103 1.00 0.00 ATOM 142 OG1 THR A 18 9.992 -3.605 1.195 1.00 0.00 ATOM 143 O THR A 18 10.589 -7.229 -0.326 1.00 0.00 ATOM 144 C THR A 18 10.839 -6.039 -0.381 1.00 0.00 ATOM 145 N THR A 19 10.520 -5.321 -1.453 1.00 0.00 ATOM 146 CA THR A 19 9.902 -5.940 -2.611 1.00 0.00 ATOM 147 CB THR A 19 9.464 -4.905 -3.660 1.00 0.00 ATOM 148 CG2 THR A 19 8.803 -5.559 -4.900 1.00 0.00 ATOM 149 OG1 THR A 19 8.524 -4.020 -3.049 1.00 0.00 ATOM 150 O THR A 19 10.287 -8.089 -3.607 1.00 0.00 ATOM 151 C THR A 19 10.787 -6.998 -3.242 1.00 0.00 ATOM 152 N ARG A 20 12.082 -6.696 -3.338 1.00 0.00 ATOM 153 CA ARG A 20 13.060 -7.627 -3.890 1.00 0.00 ATOM 154 CB ARG A 20 14.463 -6.994 -3.917 1.00 0.00 ATOM 155 CG ARG A 20 15.420 -7.666 -4.815 1.00 0.00 ATOM 156 CD ARG A 20 16.855 -7.156 -4.581 1.00 0.00 ATOM 157 NE ARG A 20 16.953 -5.728 -4.892 1.00 0.00 ATOM 158 CZ ARG A 20 17.538 -4.805 -4.131 1.00 0.00 ATOM 159 NH1 ARG A 20 18.122 -5.116 -2.974 1.00 0.00 ATOM 160 NH2 ARG A 20 17.558 -3.542 -4.545 1.00 0.00 ATOM 161 O ARG A 20 12.997 -10.017 -3.603 1.00 0.00 ATOM 162 C ARG A 20 13.022 -8.918 -3.059 1.00 0.00 ATOM 163 N ASP A 21 12.978 -8.784 -1.730 1.00 0.00 ATOM 164 CA ASP A 21 12.961 -9.956 -0.861 1.00 0.00 ATOM 165 CB ASP A 21 13.060 -9.557 0.602 1.00 0.00 ATOM 166 CG ASP A 21 14.420 -8.962 0.959 1.00 0.00 ATOM 167 OD1 ASP A 21 15.437 -9.327 0.289 1.00 0.00 ATOM 168 OD2 ASP A 21 14.466 -8.140 1.921 1.00 0.00 ATOM 169 O ASP A 21 11.743 -12.003 -1.150 1.00 0.00 ATOM 170 C ASP A 21 11.694 -10.761 -1.077 1.00 0.00 ATOM 171 N LEU A 22 10.561 -10.062 -1.223 1.00 0.00 ATOM 172 CA LEU A 22 9.286 -10.770 -1.418 1.00 0.00 ATOM 173 CB LEU A 22 8.070 -9.815 -1.409 1.00 0.00 ATOM 174 CG LEU A 22 7.622 -9.210 -0.065 1.00 0.00 ATOM 175 CD1 LEU A 22 6.494 -8.175 -0.310 1.00 0.00 ATOM 176 CD2 LEU A 22 7.119 -10.294 0.899 1.00 0.00 ATOM 177 O LEU A 22 8.881 -12.714 -2.717 1.00 0.00 ATOM 178 C LEU A 22 9.297 -11.568 -2.716 1.00 0.00 ATOM 179 N ILE A 23 9.788 -10.956 -3.789 1.00 0.00 ATOM 180 CA ILE A 23 9.842 -11.596 -5.091 1.00 0.00 ATOM 181 CB ILE A 23 10.354 -10.611 -6.213 1.00 0.00 ATOM 182 CG1 ILE A 23 9.286 -9.542 -6.488 1.00 0.00 ATOM 183 CG2 ILE A 23 10.741 -11.366 -7.510 1.00 0.00 ATOM 184 CD1 ILE A 23 9.755 -8.382 -7.374 1.00 0.00 ATOM 185 O ILE A 23 10.263 -13.901 -5.436 1.00 0.00 ATOM 186 C ILE A 23 10.682 -12.852 -4.966 1.00 0.00 ATOM 187 N ARG A 24 11.816 -12.777 -4.248 1.00 0.00 ATOM 188 CA ARG A 24 12.659 -13.976 -4.054 1.00 0.00 ATOM 189 CB ARG A 24 13.999 -13.581 -3.456 1.00 0.00 ATOM 190 CG ARG A 24 14.867 -12.749 -4.383 1.00 0.00 ATOM 191 CD ARG A 24 15.936 -12.056 -3.552 1.00 0.00 ATOM 192 NE ARG A 24 16.982 -11.458 -4.368 1.00 0.00 ATOM 193 CZ ARG A 24 17.763 -10.444 -3.983 1.00 0.00 ATOM 194 NH1 ARG A 24 17.617 -9.875 -2.782 1.00 0.00 ATOM 195 NH2 ARG A 24 18.693 -9.980 -4.813 1.00 0.00 ATOM 196 O ARG A 24 12.496 -16.241 -3.228 1.00 0.00 ATOM 197 C ARG A 24 12.008 -15.106 -3.225 1.00 0.00 ATOM 198 N LEU A 25 10.903 -14.828 -2.547 1.00 0.00 ATOM 199 CA LEU A 25 10.193 -15.861 -1.798 1.00 0.00 ATOM 200 CB LEU A 25 9.383 -15.249 -0.639 1.00 0.00 ATOM 201 CG LEU A 25 10.185 -14.490 0.427 1.00 0.00 ATOM 202 CD1 LEU A 25 9.271 -14.122 1.596 1.00 0.00 ATOM 203 CD2 LEU A 25 11.347 -15.323 0.911 1.00 0.00 ATOM 204 O LEU A 25 8.995 -17.822 -2.409 1.00 0.00 ATOM 205 C LEU A 25 9.294 -16.676 -2.696 1.00 0.00 ATOM 206 N ILE A 26 8.873 -16.091 -3.814 1.00 0.00 ATOM 207 CA ILE A 26 7.817 -16.668 -4.585 1.00 0.00 ATOM 208 CB ILE A 26 7.333 -15.719 -5.687 1.00 0.00 ATOM 209 CG1 ILE A 26 6.811 -14.391 -5.084 1.00 0.00 ATOM 210 CG2 ILE A 26 6.267 -16.481 -6.571 1.00 0.00 ATOM 211 CD1 ILE A 26 6.394 -13.331 -6.126 1.00 0.00 ATOM 212 O ILE A 26 9.353 -18.119 -5.756 1.00 0.00 ATOM 213 C ILE A 26 8.269 -18.020 -5.181 1.00 0.00 ATOM 214 N GLN A 27 7.452 -19.052 -5.004 1.00 0.00 ATOM 215 CA GLN A 27 7.758 -20.388 -5.486 1.00 0.00 ATOM 216 CB GLN A 27 7.088 -21.428 -4.582 1.00 0.00 ATOM 217 CG GLN A 27 7.370 -21.272 -3.070 1.00 0.00 ATOM 218 CD GLN A 27 6.247 -21.852 -2.212 1.00 0.00 ATOM 219 O GLN A 27 6.237 -19.962 -7.248 1.00 0.00 ATOM 220 C GLN A 27 7.258 -20.532 -6.911 1.00 0.00 ATOM 221 N PRO A 28 7.916 -21.382 -7.726 1.00 0.00 ATOM 222 CA PRO A 28 7.525 -21.595 -9.130 1.00 0.00 ATOM 223 CB PRO A 28 8.246 -22.902 -9.510 1.00 0.00 ATOM 224 CG PRO A 28 8.755 -23.484 -8.179 1.00 0.00 ATOM 225 CD PRO A 28 9.030 -22.282 -7.356 1.00 0.00 ATOM 226 O PRO A 28 5.468 -21.304 -10.252 1.00 0.00 ATOM 227 C PRO A 28 6.056 -21.841 -9.330 1.00 0.00 ATOM 228 N GLU A 29 5.469 -22.676 -8.485 1.00 0.00 ATOM 229 CA GLU A 29 4.083 -23.080 -8.666 1.00 0.00 ATOM 230 CB GLU A 29 3.682 -24.186 -7.652 1.00 0.00 ATOM 231 CG GLU A 29 3.920 -23.858 -6.130 1.00 0.00 ATOM 232 CD GLU A 29 5.153 -24.549 -5.480 1.00 0.00 ATOM 233 OE1 GLU A 29 5.662 -25.549 -6.023 1.00 0.00 ATOM 234 OE2 GLU A 29 5.595 -24.092 -4.399 1.00 0.00 ATOM 235 O GLU A 29 2.018 -22.007 -9.101 1.00 0.00 ATOM 236 C GLU A 29 3.104 -21.913 -8.582 1.00 0.00 ATOM 237 N ASP A 30 3.507 -20.806 -7.959 1.00 0.00 ATOM 238 CA ASP A 30 2.556 -19.772 -7.531 1.00 0.00 ATOM 239 CB ASP A 30 2.974 -19.260 -6.139 1.00 0.00 ATOM 240 CG ASP A 30 2.759 -20.314 -5.046 1.00 0.00 ATOM 241 OD1 ASP A 30 1.862 -21.189 -5.207 1.00 0.00 ATOM 242 OD2 ASP A 30 3.464 -20.261 -4.021 1.00 0.00 ATOM 243 O ASP A 30 1.477 -17.734 -8.263 1.00 0.00 ATOM 244 C ASP A 30 2.369 -18.581 -8.482 1.00 0.00 ATOM 245 N TRP A 31 3.207 -18.495 -9.509 1.00 0.00 ATOM 246 CA TRP A 31 3.232 -17.313 -10.363 1.00 0.00 ATOM 247 CB TRP A 31 4.336 -17.419 -11.405 1.00 0.00 ATOM 248 CG TRP A 31 5.721 -17.303 -10.852 1.00 0.00 ATOM 249 CD1 TRP A 31 6.653 -18.309 -10.744 1.00 0.00 ATOM 250 CD2 TRP A 31 6.352 -16.128 -10.381 1.00 0.00 ATOM 251 CE2 TRP A 31 7.658 -16.490 -9.964 1.00 0.00 ATOM 252 CE3 TRP A 31 5.953 -14.805 -10.247 1.00 0.00 ATOM 253 NE1 TRP A 31 7.815 -17.823 -10.226 1.00 0.00 ATOM 254 CZ2 TRP A 31 8.565 -15.565 -9.463 1.00 0.00 ATOM 255 CZ3 TRP A 31 6.854 -13.889 -9.719 1.00 0.00 ATOM 256 CH2 TRP A 31 8.147 -14.275 -9.341 1.00 0.00 ATOM 257 O TRP A 31 1.505 -15.897 -11.205 1.00 0.00 ATOM 258 C TRP A 31 1.903 -17.040 -11.056 1.00 0.00 ATOM 259 N ASP A 32 1.207 -18.066 -11.505 1.00 0.00 ATOM 260 CA ASP A 32 -0.079 -17.828 -12.168 1.00 0.00 ATOM 261 CB ASP A 32 -0.294 -18.854 -13.302 1.00 0.00 ATOM 262 CG ASP A 32 0.634 -18.601 -14.469 1.00 0.00 ATOM 263 OD1 ASP A 32 0.782 -17.403 -14.845 1.00 0.00 ATOM 264 OD2 ASP A 32 1.237 -19.579 -14.977 1.00 0.00 ATOM 265 O ASP A 32 -2.422 -17.672 -11.718 1.00 0.00 ATOM 266 C ASP A 32 -1.291 -17.850 -11.251 1.00 0.00 ATOM 267 N LYS A 33 -1.072 -18.101 -9.969 1.00 0.00 ATOM 268 CA LYS A 33 -2.153 -18.071 -8.999 1.00 0.00 ATOM 269 CB LYS A 33 -1.659 -18.543 -7.612 1.00 0.00 ATOM 270 CG LYS A 33 -1.386 -20.050 -7.498 1.00 0.00 ATOM 271 CD LYS A 33 -2.132 -20.658 -6.267 1.00 0.00 ATOM 272 CE LYS A 33 -1.814 -22.152 -5.961 1.00 0.00 ATOM 273 NZ LYS A 33 -0.431 -22.693 -6.352 1.00 0.00 ATOM 274 O LYS A 33 -2.056 -15.627 -8.996 1.00 0.00 ATOM 275 C LYS A 33 -2.767 -16.658 -8.912 1.00 0.00 ATOM 276 N ARG A 34 -4.089 -16.626 -8.749 1.00 0.00 ATOM 277 CA ARG A 34 -4.844 -15.378 -8.533 1.00 0.00 ATOM 278 CB ARG A 34 -5.838 -15.115 -9.687 1.00 0.00 ATOM 279 CG ARG A 34 -5.176 -15.126 -11.048 1.00 0.00 ATOM 280 CD ARG A 34 -6.180 -14.900 -12.214 1.00 0.00 ATOM 281 NE ARG A 34 -5.541 -14.101 -13.263 1.00 0.00 ATOM 282 CZ ARG A 34 -4.607 -14.560 -14.101 1.00 0.00 ATOM 283 NH1 ARG A 34 -4.181 -15.830 -14.042 1.00 0.00 ATOM 284 NH2 ARG A 34 -4.076 -13.735 -15.004 1.00 0.00 ATOM 285 O ARG A 34 -6.772 -15.962 -7.269 1.00 0.00 ATOM 286 C ARG A 34 -5.628 -15.519 -7.241 1.00 0.00 ATOM 287 N PRO A 35 -5.009 -15.177 -6.103 1.00 0.00 ATOM 288 CA PRO A 35 -5.642 -15.330 -4.800 1.00 0.00 ATOM 289 CB PRO A 35 -4.545 -14.867 -3.811 1.00 0.00 ATOM 290 CG PRO A 35 -3.267 -14.871 -4.578 1.00 0.00 ATOM 291 CD PRO A 35 -3.653 -14.611 -6.002 1.00 0.00 ATOM 292 O PRO A 35 -7.721 -14.790 -3.801 1.00 0.00 ATOM 293 C PRO A 35 -6.901 -14.467 -4.627 1.00 0.00 ATOM 294 N ILE A 36 -7.014 -13.353 -5.343 1.00 0.00 ATOM 295 CA ILE A 36 -8.229 -12.535 -5.326 1.00 0.00 ATOM 296 CB ILE A 36 -7.916 -11.056 -4.987 1.00 0.00 ATOM 297 CG1 ILE A 36 -7.017 -10.973 -3.750 1.00 0.00 ATOM 298 CG2 ILE A 36 -9.196 -10.259 -4.797 1.00 0.00 ATOM 299 CD1 ILE A 36 -6.959 -9.595 -3.131 1.00 0.00 ATOM 300 O ILE A 36 -8.445 -11.952 -7.648 1.00 0.00 ATOM 301 C ILE A 36 -8.894 -12.600 -6.705 1.00 0.00 ATOM 302 N SER A 37 -9.954 -13.397 -6.813 1.00 0.00 ATOM 303 CA SER A 37 -10.624 -13.632 -8.104 1.00 0.00 ATOM 304 CB SER A 37 -11.839 -14.565 -7.951 1.00 0.00 ATOM 305 OG SER A 37 -12.982 -13.861 -7.482 1.00 0.00 ATOM 306 O SER A 37 -11.549 -11.454 -7.949 1.00 0.00 ATOM 307 C SER A 37 -11.032 -12.294 -8.675 1.00 0.00 ATOM 308 N GLY A 38 -10.735 -12.085 -9.954 1.00 0.00 ATOM 309 CA GLY A 38 -10.965 -10.806 -10.618 1.00 0.00 ATOM 310 O GLY A 38 -9.760 -8.990 -11.605 1.00 0.00 ATOM 311 C GLY A 38 -9.748 -9.921 -10.789 1.00 0.00 ATOM 312 N LYS A 39 -8.691 -10.190 -10.030 1.00 0.00 ATOM 313 CA LYS A 39 -7.538 -9.310 -10.015 1.00 0.00 ATOM 314 CB LYS A 39 -7.305 -8.819 -8.580 1.00 0.00 ATOM 315 CG LYS A 39 -8.543 -8.142 -7.963 1.00 0.00 ATOM 316 CD LYS A 39 -9.122 -7.053 -8.897 1.00 0.00 ATOM 317 CE LYS A 39 -9.880 -5.952 -8.156 1.00 0.00 ATOM 318 NZ LYS A 39 -10.726 -5.121 -9.070 1.00 0.00 ATOM 319 O LYS A 39 -6.288 -11.117 -10.966 1.00 0.00 ATOM 320 C LYS A 39 -6.280 -9.945 -10.607 1.00 0.00 ATOM 321 N ARG A 40 -5.216 -9.145 -10.710 1.00 0.00 ATOM 322 CA ARG A 40 -3.938 -9.570 -11.276 1.00 0.00 ATOM 323 CB ARG A 40 -2.897 -8.489 -11.084 1.00 0.00 ATOM 324 CG ARG A 40 -2.782 -7.404 -12.150 1.00 0.00 ATOM 325 CD ARG A 40 -1.978 -6.282 -11.632 1.00 0.00 ATOM 326 NE ARG A 40 -1.490 -5.400 -12.683 1.00 0.00 ATOM 327 CZ ARG A 40 -1.967 -4.176 -12.886 1.00 0.00 ATOM 328 NH1 ARG A 40 -2.902 -3.682 -12.085 1.00 0.00 ATOM 329 NH2 ARG A 40 -1.513 -3.434 -13.892 1.00 0.00 ATOM 330 O ARG A 40 -3.713 -11.106 -9.422 1.00 0.00 ATOM 331 C ARG A 40 -3.459 -10.874 -10.599 1.00 0.00 ATOM 332 N SER A 41 -2.784 -11.723 -11.355 1.00 0.00 ATOM 333 CA SER A 41 -2.079 -12.850 -10.776 1.00 0.00 ATOM 334 CB SER A 41 -1.650 -13.819 -11.869 1.00 0.00 ATOM 335 OG SER A 41 -0.579 -13.264 -12.610 1.00 0.00 ATOM 336 O SER A 41 -0.459 -11.225 -10.039 1.00 0.00 ATOM 337 C SER A 41 -0.827 -12.387 -9.976 1.00 0.00 ATOM 338 N VAL A 42 -0.210 -13.294 -9.195 1.00 0.00 ATOM 339 CA VAL A 42 1.035 -13.030 -8.506 1.00 0.00 ATOM 340 CB VAL A 42 1.601 -14.344 -7.863 1.00 0.00 ATOM 341 CG1 VAL A 42 2.982 -14.138 -7.381 1.00 0.00 ATOM 342 CG2 VAL A 42 0.721 -14.805 -6.747 1.00 0.00 ATOM 343 O VAL A 42 2.747 -11.478 -9.211 1.00 0.00 ATOM 344 C VAL A 42 2.079 -12.498 -9.474 1.00 0.00 ATOM 345 N TYR A 43 2.227 -13.182 -10.615 1.00 0.00 ATOM 346 CA TYR A 43 3.258 -12.764 -11.540 1.00 0.00 ATOM 347 CB TYR A 43 3.432 -13.765 -12.679 1.00 0.00 ATOM 348 CG TYR A 43 4.199 -13.241 -13.874 1.00 0.00 ATOM 349 CD1 TYR A 43 5.570 -13.115 -13.852 1.00 0.00 ATOM 350 CD2 TYR A 43 3.527 -12.885 -15.045 1.00 0.00 ATOM 351 CE1 TYR A 43 6.260 -12.641 -14.946 1.00 0.00 ATOM 352 CE2 TYR A 43 4.202 -12.416 -16.153 1.00 0.00 ATOM 353 CZ TYR A 43 5.566 -12.302 -16.111 1.00 0.00 ATOM 354 OH TYR A 43 6.230 -11.840 -17.232 1.00 0.00 ATOM 355 O TYR A 43 3.801 -10.545 -12.241 1.00 0.00 ATOM 356 C TYR A 43 2.920 -11.368 -12.090 1.00 0.00 ATOM 357 N GLU A 44 1.662 -11.122 -12.413 1.00 0.00 ATOM 358 CA GLU A 44 1.290 -9.827 -12.985 1.00 0.00 ATOM 359 CB GLU A 44 -0.137 -9.865 -13.538 1.00 0.00 ATOM 360 CG GLU A 44 -0.319 -10.731 -14.781 1.00 0.00 ATOM 361 CD GLU A 44 -1.804 -11.025 -15.105 1.00 0.00 ATOM 362 OE1 GLU A 44 -2.711 -10.673 -14.319 1.00 0.00 ATOM 363 OE2 GLU A 44 -2.076 -11.663 -16.162 1.00 0.00 ATOM 364 O GLU A 44 1.878 -7.579 -12.388 1.00 0.00 ATOM 365 C GLU A 44 1.461 -8.648 -11.991 1.00 0.00 ATOM 366 N VAL A 45 1.164 -8.871 -10.705 1.00 0.00 ATOM 367 CA VAL A 45 1.485 -7.887 -9.657 1.00 0.00 ATOM 368 CB VAL A 45 0.998 -8.316 -8.287 1.00 0.00 ATOM 369 CG1 VAL A 45 1.230 -7.184 -7.240 1.00 0.00 ATOM 370 CG2 VAL A 45 -0.489 -8.539 -8.325 1.00 0.00 ATOM 371 O VAL A 45 3.404 -6.468 -9.556 1.00 0.00 ATOM 372 C VAL A 45 2.973 -7.615 -9.609 1.00 0.00 ATOM 373 N ALA A 46 3.763 -8.696 -9.582 1.00 0.00 ATOM 374 CA ALA A 46 5.207 -8.600 -9.563 1.00 0.00 ATOM 375 CB ALA A 46 5.875 -9.996 -9.437 1.00 0.00 ATOM 376 O ALA A 46 6.685 -7.020 -10.486 1.00 0.00 ATOM 377 C ALA A 46 5.803 -7.825 -10.714 1.00 0.00 ATOM 378 N VAL A 47 5.347 -8.055 -11.944 1.00 0.00 ATOM 379 CA VAL A 47 5.859 -7.303 -13.081 1.00 0.00 ATOM 380 CB VAL A 47 5.312 -7.862 -14.431 1.00 0.00 ATOM 381 CG1 VAL A 47 5.761 -6.995 -15.616 1.00 0.00 ATOM 382 CG2 VAL A 47 5.737 -9.331 -14.622 1.00 0.00 ATOM 383 O VAL A 47 6.349 -4.932 -13.297 1.00 0.00 ATOM 384 C VAL A 47 5.519 -5.786 -12.966 1.00 0.00 ATOM 385 N HIS A 48 4.296 -5.475 -12.551 1.00 0.00 ATOM 386 CA HIS A 48 3.842 -4.065 -12.414 1.00 0.00 ATOM 387 CB HIS A 48 2.348 -4.047 -12.038 1.00 0.00 ATOM 388 CG HIS A 48 1.727 -2.678 -11.833 1.00 0.00 ATOM 389 CD2 HIS A 48 0.945 -2.200 -10.823 1.00 0.00 ATOM 390 ND1 HIS A 48 1.770 -1.682 -12.771 1.00 0.00 ATOM 391 CE1 HIS A 48 1.068 -0.638 -12.347 1.00 0.00 ATOM 392 NE2 HIS A 48 0.595 -0.897 -11.135 1.00 0.00 ATOM 393 O HIS A 48 5.256 -2.302 -11.597 1.00 0.00 ATOM 394 C HIS A 48 4.744 -3.396 -11.371 1.00 0.00 ATOM 395 N LEU A 49 4.968 -4.071 -10.238 1.00 0.00 ATOM 396 CA LEU A 49 5.908 -3.564 -9.210 1.00 0.00 ATOM 397 CB LEU A 49 5.961 -4.538 -8.051 1.00 0.00 ATOM 398 CG LEU A 49 4.982 -4.397 -6.897 1.00 0.00 ATOM 399 CD1 LEU A 49 4.914 -5.763 -6.111 1.00 0.00 ATOM 400 CD2 LEU A 49 5.390 -3.197 -5.991 1.00 0.00 ATOM 401 O LEU A 49 8.004 -2.297 -9.460 1.00 0.00 ATOM 402 C LEU A 49 7.348 -3.326 -9.749 1.00 0.00 ATOM 403 N ALA A 50 7.826 -4.282 -10.528 1.00 0.00 ATOM 404 CA ALA A 50 9.167 -4.221 -11.103 1.00 0.00 ATOM 405 CB ALA A 50 9.475 -5.521 -11.896 1.00 0.00 ATOM 406 O ALA A 50 10.460 -2.448 -12.062 1.00 0.00 ATOM 407 C ALA A 50 9.359 -2.997 -12.014 1.00 0.00 ATOM 408 N VAL A 51 8.318 -2.592 -12.759 1.00 0.00 ATOM 409 CA VAL A 51 8.448 -1.501 -13.727 1.00 0.00 ATOM 410 CB VAL A 51 7.841 -1.849 -15.105 1.00 0.00 ATOM 411 CG1 VAL A 51 8.369 -3.169 -15.610 1.00 0.00 ATOM 412 CG2 VAL A 51 6.315 -1.873 -15.013 1.00 0.00 ATOM 413 O VAL A 51 8.202 0.896 -13.859 1.00 0.00 ATOM 414 C VAL A 51 7.871 -0.154 -13.269 1.00 0.00 ATOM 415 N LEU A 52 7.070 -0.113 -12.208 1.00 0.00 ATOM 416 CA LEU A 52 6.282 1.091 -12.053 1.00 0.00 ATOM 417 CB LEU A 52 5.106 0.889 -11.090 1.00 0.00 ATOM 418 CG LEU A 52 5.324 0.679 -9.586 1.00 0.00 ATOM 419 CD1 LEU A 52 5.706 1.993 -8.751 1.00 0.00 ATOM 420 CD2 LEU A 52 4.011 0.058 -9.041 1.00 0.00 ATOM 421 O LEU A 52 6.627 3.480 -11.974 1.00 0.00 ATOM 422 C LEU A 52 7.087 2.359 -11.704 1.00 0.00 ATOM 423 N LEU A 53 8.239 2.206 -11.047 1.00 0.00 ATOM 424 CA LEU A 53 8.989 3.412 -10.635 1.00 0.00 ATOM 425 CB LEU A 53 10.158 3.095 -9.704 1.00 0.00 ATOM 426 CG LEU A 53 9.875 2.684 -8.258 1.00 0.00 ATOM 427 CD1 LEU A 53 11.216 2.380 -7.560 1.00 0.00 ATOM 428 CD2 LEU A 53 9.093 3.768 -7.503 1.00 0.00 ATOM 429 O LEU A 53 9.522 5.376 -11.860 1.00 0.00 ATOM 430 C LEU A 53 9.457 4.153 -11.875 1.00 0.00 ATOM 431 N GLU A 54 9.734 3.427 -12.959 1.00 0.00 ATOM 432 CA GLU A 54 10.165 4.047 -14.226 1.00 0.00 ATOM 433 CB GLU A 54 11.096 3.085 -14.960 1.00 0.00 ATOM 434 CG GLU A 54 11.481 3.472 -16.343 1.00 0.00 ATOM 435 CD GLU A 54 12.562 2.590 -16.950 1.00 0.00 ATOM 436 OE1 GLU A 54 13.190 1.760 -16.239 1.00 0.00 ATOM 437 OE2 GLU A 54 12.787 2.725 -18.178 1.00 0.00 ATOM 438 O GLU A 54 8.896 5.571 -15.562 1.00 0.00 ATOM 439 C GLU A 54 8.951 4.457 -15.049 1.00 0.00 ATOM 440 N ALA A 55 7.956 3.569 -15.136 1.00 0.00 ATOM 441 CA ALA A 55 6.719 3.811 -15.870 1.00 0.00 ATOM 442 CB ALA A 55 5.680 2.596 -15.720 1.00 0.00 ATOM 443 O ALA A 55 5.814 5.990 -16.234 1.00 0.00 ATOM 444 C ALA A 55 6.110 5.116 -15.420 1.00 0.00 ATOM 445 N ASP A 56 5.951 5.292 -14.110 1.00 0.00 ATOM 446 CA ASP A 56 5.278 6.487 -13.655 1.00 0.00 ATOM 447 CB ASP A 56 5.024 6.458 -12.139 1.00 0.00 ATOM 448 CG ASP A 56 3.931 5.451 -11.723 1.00 0.00 ATOM 449 OD1 ASP A 56 3.475 4.565 -12.531 1.00 0.00 ATOM 450 OD2 ASP A 56 3.514 5.499 -10.530 1.00 0.00 ATOM 451 O ASP A 56 5.448 8.756 -14.307 1.00 0.00 ATOM 452 C ASP A 56 6.050 7.732 -14.023 1.00 0.00 ATOM 453 N LEU A 57 7.369 7.682 -13.986 1.00 0.00 ATOM 454 CA LEU A 57 8.144 8.879 -14.265 1.00 0.00 ATOM 455 CB LEU A 57 9.560 8.783 -13.667 1.00 0.00 ATOM 456 CG LEU A 57 9.618 8.855 -12.120 1.00 0.00 ATOM 457 CD1 LEU A 57 11.045 8.905 -11.677 1.00 0.00 ATOM 458 CD2 LEU A 57 8.877 10.034 -11.585 1.00 0.00 ATOM 459 O LEU A 57 8.235 10.341 -16.118 1.00 0.00 ATOM 460 C LEU A 57 8.179 9.179 -15.750 1.00 0.00 ATOM 461 N ARG A 58 8.117 8.146 -16.583 1.00 0.00 ATOM 462 CA ARG A 58 7.968 8.317 -18.028 1.00 0.00 ATOM 463 CB ARG A 58 8.115 6.956 -18.724 1.00 0.00 ATOM 464 CG ARG A 58 9.542 6.436 -18.743 1.00 0.00 ATOM 465 CD ARG A 58 9.795 5.210 -19.642 1.00 0.00 ATOM 466 NE ARG A 58 11.220 4.881 -19.593 1.00 0.00 ATOM 467 CZ ARG A 58 12.138 5.310 -20.451 1.00 0.00 ATOM 468 NH1 ARG A 58 11.806 6.042 -21.498 1.00 0.00 ATOM 469 NH2 ARG A 58 13.411 4.987 -20.262 1.00 0.00 ATOM 470 O ARG A 58 6.555 9.886 -19.210 1.00 0.00 ATOM 471 C ARG A 58 6.626 8.947 -18.375 1.00 0.00 ATOM 472 N ILE A 59 5.554 8.401 -17.807 1.00 0.00 ATOM 473 CA ILE A 59 4.240 9.024 -17.895 1.00 0.00 ATOM 474 CB ILE A 59 3.196 8.264 -17.030 1.00 0.00 ATOM 475 CG1 ILE A 59 2.819 6.942 -17.722 1.00 0.00 ATOM 476 CG2 ILE A 59 1.960 9.142 -16.725 1.00 0.00 ATOM 477 CD1 ILE A 59 2.387 5.826 -16.732 1.00 0.00 ATOM 478 O ILE A 59 3.688 11.338 -18.194 1.00 0.00 ATOM 479 C ILE A 59 4.319 10.513 -17.518 1.00 0.00 ATOM 480 N ALA A 60 5.059 10.814 -16.447 1.00 0.00 ATOM 481 CA ALA A 60 5.235 12.179 -15.875 1.00 0.00 ATOM 482 CB ALA A 60 6.019 12.109 -14.526 1.00 0.00 ATOM 483 O ALA A 60 5.644 14.371 -16.855 1.00 0.00 ATOM 484 C ALA A 60 5.937 13.162 -16.831 1.00 0.00 ATOM 485 N THR A 61 6.833 12.625 -17.652 1.00 0.00 ATOM 486 CA THR A 61 7.636 13.458 -18.537 1.00 0.00 ATOM 487 CB THR A 61 9.119 13.028 -18.504 1.00 0.00 ATOM 488 CG2 THR A 61 9.699 13.234 -17.086 1.00 0.00 ATOM 489 OG1 THR A 61 9.250 11.654 -18.821 1.00 0.00 ATOM 490 O THR A 61 7.647 14.198 -20.745 1.00 0.00 ATOM 491 C THR A 61 7.056 13.553 -19.913 1.00 0.00 ATOM 492 N GLY A 62 5.864 12.974 -20.130 1.00 0.00 ATOM 493 CA GLY A 62 5.094 13.183 -21.352 1.00 0.00 ATOM 494 O GLY A 62 4.781 12.160 -23.467 1.00 0.00 ATOM 495 C GLY A 62 5.013 11.983 -22.276 1.00 0.00 ATOM 496 N ALA A 63 5.198 10.760 -21.779 1.00 0.00 ATOM 497 CA ALA A 63 5.226 9.619 -22.698 1.00 0.00 ATOM 498 CB ALA A 63 5.648 8.306 -22.030 1.00 0.00 ATOM 499 O ALA A 63 2.855 9.768 -22.586 1.00 0.00 ATOM 500 C ALA A 63 3.842 9.496 -23.273 1.00 0.00 ATOM 501 N THR A 64 3.773 9.110 -24.540 1.00 0.00 ATOM 502 CA THR A 64 2.502 8.949 -25.184 1.00 0.00 ATOM 503 CB THR A 64 2.600 9.130 -26.719 1.00 0.00 ATOM 504 CG2 THR A 64 3.219 10.483 -27.032 1.00 0.00 ATOM 505 OG1 THR A 64 3.384 8.070 -27.296 1.00 0.00 ATOM 506 O THR A 64 2.549 6.715 -24.266 1.00 0.00 ATOM 507 C THR A 64 1.891 7.609 -24.831 1.00 0.00 ATOM 508 N ALA A 65 0.608 7.500 -25.153 1.00 0.00 ATOM 509 CA ALA A 65 -0.128 6.270 -24.974 1.00 0.00 ATOM 510 CB ALA A 65 -1.549 6.444 -25.419 1.00 0.00 ATOM 511 O ALA A 65 0.781 4.078 -25.092 1.00 0.00 ATOM 512 C ALA A 65 0.563 5.124 -25.707 1.00 0.00 ATOM 513 N ASP A 66 0.991 5.336 -26.957 1.00 0.00 ATOM 514 CA ASP A 66 1.684 4.285 -27.669 1.00 0.00 ATOM 515 CB ASP A 66 1.897 4.558 -29.146 1.00 0.00 ATOM 516 CG ASP A 66 2.303 3.277 -29.928 1.00 0.00 ATOM 517 OD1 ASP A 66 1.580 2.230 -29.850 1.00 0.00 ATOM 518 OD2 ASP A 66 3.324 3.348 -30.651 1.00 0.00 ATOM 519 O ASP A 66 3.415 2.811 -27.154 1.00 0.00 ATOM 520 C ASP A 66 3.017 3.959 -27.108 1.00 0.00 ATOM 521 N GLU A 67 3.731 4.957 -26.602 1.00 0.00 ATOM 522 CA GLU A 67 5.050 4.744 -26.037 1.00 0.00 ATOM 523 CB GLU A 67 5.709 6.096 -25.690 1.00 0.00 ATOM 524 CG GLU A 67 6.311 6.772 -26.941 1.00 0.00 ATOM 525 CD GLU A 67 6.896 8.184 -26.744 1.00 0.00 ATOM 526 OE1 GLU A 67 6.631 8.843 -25.737 1.00 0.00 ATOM 527 OE2 GLU A 67 7.598 8.642 -27.681 1.00 0.00 ATOM 528 O GLU A 67 5.724 2.982 -24.576 1.00 0.00 ATOM 529 C GLU A 67 4.916 3.879 -24.816 1.00 0.00 ATOM 530 N MET A 68 3.868 4.130 -24.041 1.00 0.00 ATOM 531 CA MET A 68 3.635 3.364 -22.839 1.00 0.00 ATOM 532 CB MET A 68 2.602 4.048 -21.913 1.00 0.00 ATOM 533 CG MET A 68 3.060 5.302 -21.226 1.00 0.00 ATOM 534 SD MET A 68 4.933 5.217 -20.526 1.00 0.00 ATOM 535 CE MET A 68 4.729 3.729 -19.243 1.00 0.00 ATOM 536 O MET A 68 3.569 1.016 -22.469 1.00 0.00 ATOM 537 C MET A 68 3.187 1.957 -23.169 1.00 0.00 ATOM 538 N ALA A 69 2.425 1.796 -24.257 1.00 0.00 ATOM 539 CA ALA A 69 1.984 0.489 -24.643 1.00 0.00 ATOM 540 CB ALA A 69 1.038 0.561 -25.839 1.00 0.00 ATOM 541 O ALA A 69 3.262 -1.508 -24.801 1.00 0.00 ATOM 542 C ALA A 69 3.197 -0.311 -25.033 1.00 0.00 ATOM 543 N GLN A 70 4.125 0.346 -25.706 1.00 0.00 ATOM 544 CA GLN A 70 5.334 -0.313 -26.159 1.00 0.00 ATOM 545 CB GLN A 70 6.111 0.613 -27.069 1.00 0.00 ATOM 546 CG GLN A 70 7.456 0.075 -27.460 1.00 0.00 ATOM 547 CD GLN A 70 8.111 0.887 -28.534 1.00 0.00 ATOM 548 OE1 GLN A 70 7.454 1.705 -29.239 1.00 0.00 ATOM 549 NE2 GLN A 70 9.419 0.656 -28.709 1.00 0.00 ATOM 550 O GLN A 70 6.789 -1.749 -24.971 1.00 0.00 ATOM 551 C GLN A 70 6.171 -0.693 -24.938 1.00 0.00 ATOM 552 N PHE A 71 6.117 0.133 -23.871 1.00 0.00 ATOM 553 CA PHE A 71 6.879 -0.049 -22.645 1.00 0.00 ATOM 554 CB PHE A 71 6.806 1.221 -21.742 1.00 0.00 ATOM 555 CG PHE A 71 7.510 1.081 -20.404 1.00 0.00 ATOM 556 CD1 PHE A 71 8.858 1.402 -20.258 1.00 0.00 ATOM 557 CD2 PHE A 71 6.818 0.683 -19.313 1.00 0.00 ATOM 558 CE1 PHE A 71 9.510 1.277 -19.022 1.00 0.00 ATOM 559 CE2 PHE A 71 7.457 0.539 -18.052 1.00 0.00 ATOM 560 CZ PHE A 71 8.795 0.840 -17.914 1.00 0.00 ATOM 561 O PHE A 71 7.072 -2.080 -21.455 1.00 0.00 ATOM 562 C PHE A 71 6.328 -1.223 -21.882 1.00 0.00 ATOM 563 N TYR A 72 5.010 -1.250 -21.710 1.00 0.00 ATOM 564 CA TYR A 72 4.371 -2.309 -20.980 1.00 0.00 ATOM 565 CB TYR A 72 2.911 -1.963 -20.685 1.00 0.00 ATOM 566 CG TYR A 72 2.718 -0.822 -19.726 1.00 0.00 ATOM 567 CD1 TYR A 72 3.386 -0.790 -18.506 1.00 0.00 ATOM 568 CD2 TYR A 72 1.868 0.231 -20.026 1.00 0.00 ATOM 569 CE1 TYR A 72 3.200 0.239 -17.611 1.00 0.00 ATOM 570 CE2 TYR A 72 1.694 1.285 -19.131 1.00 0.00 ATOM 571 CZ TYR A 72 2.361 1.277 -17.935 1.00 0.00 ATOM 572 OH TYR A 72 2.191 2.285 -17.019 1.00 0.00 ATOM 573 O TYR A 72 4.396 -4.653 -21.044 1.00 0.00 ATOM 574 C TYR A 72 4.444 -3.623 -21.691 1.00 0.00 ATOM 575 N ALA A 73 4.557 -3.600 -23.016 1.00 0.00 ATOM 576 CA ALA A 73 4.628 -4.825 -23.791 1.00 0.00 ATOM 577 CB ALA A 73 4.203 -4.576 -25.278 1.00 0.00 ATOM 578 O ALA A 73 6.063 -6.663 -24.180 1.00 0.00 ATOM 579 C ALA A 73 5.979 -5.532 -23.741 1.00 0.00 ATOM 580 N VAL A 74 7.036 -4.899 -23.244 1.00 0.00 ATOM 581 CA VAL A 74 8.322 -5.603 -23.195 1.00 0.00 ATOM 582 CB VAL A 74 9.543 -4.647 -23.065 1.00 0.00 ATOM 583 CG1 VAL A 74 10.810 -5.433 -22.764 1.00 0.00 ATOM 584 CG2 VAL A 74 9.751 -3.894 -24.387 1.00 0.00 ATOM 585 O VAL A 74 7.900 -6.352 -20.947 1.00 0.00 ATOM 586 C VAL A 74 8.222 -6.666 -22.083 1.00 0.00 ATOM 587 N PRO A 75 8.396 -7.946 -22.438 1.00 0.00 ATOM 588 CA PRO A 75 8.159 -9.000 -21.458 1.00 0.00 ATOM 589 CB PRO A 75 8.217 -10.285 -22.289 1.00 0.00 ATOM 590 CG PRO A 75 8.955 -9.931 -23.515 1.00 0.00 ATOM 591 CD PRO A 75 8.793 -8.477 -23.753 1.00 0.00 ATOM 592 O PRO A 75 10.384 -8.918 -20.574 1.00 0.00 ATOM 593 C PRO A 75 9.201 -9.044 -20.329 1.00 0.00 ATOM 594 N VAL A 76 8.736 -9.207 -19.103 1.00 0.00 ATOM 595 CA VAL A 76 9.638 -9.413 -17.978 1.00 0.00 ATOM 596 CB VAL A 76 9.452 -8.394 -16.875 1.00 0.00 ATOM 597 CG1 VAL A 76 10.522 -8.598 -15.825 1.00 0.00 ATOM 598 CG2 VAL A 76 9.562 -6.995 -17.420 1.00 0.00 ATOM 599 O VAL A 76 8.384 -11.064 -16.822 1.00 0.00 ATOM 600 C VAL A 76 9.386 -10.806 -17.466 1.00 0.00 ATOM 601 N LEU A 77 10.291 -11.717 -17.797 1.00 0.00 ATOM 602 CA LEU A 77 10.156 -13.098 -17.372 1.00 0.00 ATOM 603 CB LEU A 77 11.071 -13.990 -18.209 1.00 0.00 ATOM 604 CG LEU A 77 10.785 -14.002 -19.711 1.00 0.00 ATOM 605 CD1 LEU A 77 11.888 -14.791 -20.427 1.00 0.00 ATOM 606 CD2 LEU A 77 9.392 -14.588 -19.998 1.00 0.00 ATOM 607 O LEU A 77 11.219 -12.411 -15.332 1.00 0.00 ATOM 608 C LEU A 77 10.468 -13.227 -15.877 1.00 0.00 ATOM 609 N PRO A 78 9.877 -14.226 -15.200 1.00 0.00 ATOM 610 CA PRO A 78 10.043 -14.348 -13.754 1.00 0.00 ATOM 611 CB PRO A 78 9.453 -15.720 -13.466 1.00 0.00 ATOM 612 CG PRO A 78 8.424 -15.893 -14.516 1.00 0.00 ATOM 613 CD PRO A 78 9.005 -15.280 -15.732 1.00 0.00 ATOM 614 O PRO A 78 11.743 -13.672 -12.193 1.00 0.00 ATOM 615 C PRO A 78 11.490 -14.258 -13.251 1.00 0.00 ATOM 616 N GLU A 79 12.429 -14.799 -14.013 1.00 0.00 ATOM 617 CA GLU A 79 13.844 -14.793 -13.631 1.00 0.00 ATOM 618 CB GLU A 79 14.609 -15.906 -14.379 1.00 0.00 ATOM 619 CG GLU A 79 14.608 -15.780 -15.910 1.00 0.00 ATOM 620 CD GLU A 79 13.500 -16.595 -16.621 1.00 0.00 ATOM 621 OE1 GLU A 79 12.346 -16.687 -16.111 1.00 0.00 ATOM 622 OE2 GLU A 79 13.800 -17.128 -17.721 1.00 0.00 ATOM 623 O GLU A 79 15.621 -13.222 -13.308 1.00 0.00 ATOM 624 C GLU A 79 14.532 -13.435 -13.821 1.00 0.00 ATOM 625 N GLN A 80 13.910 -12.515 -14.555 1.00 0.00 ATOM 626 CA GLN A 80 14.477 -11.168 -14.732 1.00 0.00 ATOM 627 CB GLN A 80 14.312 -10.723 -16.170 1.00 0.00 ATOM 628 CG GLN A 80 14.941 -11.656 -17.181 1.00 0.00 ATOM 629 CD GLN A 80 14.259 -11.596 -18.546 1.00 0.00 ATOM 630 OE1 GLN A 80 13.079 -11.221 -18.672 1.00 0.00 ATOM 631 NE2 GLN A 80 15.003 -11.989 -19.581 1.00 0.00 ATOM 632 O GLN A 80 14.215 -8.943 -13.877 1.00 0.00 ATOM 633 C GLN A 80 13.839 -10.104 -13.825 1.00 0.00 ATOM 634 N LEU A 81 12.883 -10.510 -12.999 1.00 0.00 ATOM 635 CA LEU A 81 12.089 -9.560 -12.208 1.00 0.00 ATOM 636 CB LEU A 81 10.974 -10.268 -11.424 1.00 0.00 ATOM 637 CG LEU A 81 9.724 -10.539 -12.252 1.00 0.00 ATOM 638 CD1 LEU A 81 8.763 -11.379 -11.463 1.00 0.00 ATOM 639 CD2 LEU A 81 9.078 -9.211 -12.640 1.00 0.00 ATOM 640 O LEU A 81 12.773 -7.508 -11.253 1.00 0.00 ATOM 641 C LEU A 81 12.936 -8.728 -11.295 1.00 0.00 ATOM 642 N VAL A 82 13.841 -9.349 -10.548 1.00 0.00 ATOM 643 CA VAL A 82 14.680 -8.561 -9.640 1.00 0.00 ATOM 644 CB VAL A 82 15.536 -9.426 -8.699 1.00 0.00 ATOM 645 CG1 VAL A 82 16.556 -8.545 -7.946 1.00 0.00 ATOM 646 CG2 VAL A 82 14.640 -10.155 -7.725 1.00 0.00 ATOM 647 O VAL A 82 15.653 -6.423 -10.085 1.00 0.00 ATOM 648 C VAL A 82 15.542 -7.600 -10.438 1.00 0.00 ATOM 649 N ASP A 83 16.165 -8.097 -11.499 1.00 0.00 ATOM 650 CA ASP A 83 17.005 -7.272 -12.364 1.00 0.00 ATOM 651 CB ASP A 83 17.511 -8.064 -13.569 1.00 0.00 ATOM 652 CG ASP A 83 18.638 -9.035 -13.217 1.00 0.00 ATOM 653 OD1 ASP A 83 19.150 -8.980 -12.063 1.00 0.00 ATOM 654 OD2 ASP A 83 19.018 -9.849 -14.103 1.00 0.00 ATOM 655 O ASP A 83 16.766 -4.980 -12.932 1.00 0.00 ATOM 656 C ASP A 83 16.229 -6.080 -12.861 1.00 0.00 ATOM 657 N ARG A 84 14.960 -6.308 -13.194 1.00 0.00 ATOM 658 CA ARG A 84 14.083 -5.256 -13.694 1.00 0.00 ATOM 659 CB ARG A 84 12.800 -5.867 -14.328 1.00 0.00 ATOM 660 CG ARG A 84 12.003 -4.873 -15.173 1.00 0.00 ATOM 661 CD ARG A 84 12.977 -4.165 -16.104 1.00 0.00 ATOM 662 NE ARG A 84 12.384 -3.237 -17.039 1.00 0.00 ATOM 663 CZ ARG A 84 12.300 -1.920 -16.875 1.00 0.00 ATOM 664 NH1 ARG A 84 12.787 -1.291 -15.778 1.00 0.00 ATOM 665 NH2 ARG A 84 11.707 -1.219 -17.850 1.00 0.00 ATOM 666 O ARG A 84 13.767 -3.040 -12.919 1.00 0.00 ATOM 667 C ARG A 84 13.714 -4.215 -12.650 1.00 0.00 ATOM 668 N LEU A 85 13.341 -4.660 -11.463 1.00 0.00 ATOM 669 CA LEU A 85 13.139 -3.778 -10.323 1.00 0.00 ATOM 670 CB LEU A 85 12.819 -4.647 -9.101 1.00 0.00 ATOM 671 CG LEU A 85 12.626 -3.968 -7.733 1.00 0.00 ATOM 672 CD1 LEU A 85 11.550 -2.860 -7.787 1.00 0.00 ATOM 673 CD2 LEU A 85 12.305 -5.072 -6.695 1.00 0.00 ATOM 674 O LEU A 85 14.299 -1.630 -9.824 1.00 0.00 ATOM 675 C LEU A 85 14.391 -2.867 -10.070 1.00 0.00 ATOM 676 N ASP A 86 15.563 -3.476 -10.127 1.00 0.00 ATOM 677 CA ASP A 86 16.796 -2.756 -9.889 1.00 0.00 ATOM 678 CB ASP A 86 17.990 -3.720 -9.903 1.00 0.00 ATOM 679 CG ASP A 86 18.039 -4.656 -8.665 1.00 0.00 ATOM 680 OD1 ASP A 86 17.129 -4.618 -7.804 1.00 0.00 ATOM 681 OD2 ASP A 86 19.007 -5.456 -8.557 1.00 0.00 ATOM 682 O ASP A 86 17.480 -0.540 -10.564 1.00 0.00 ATOM 683 C ASP A 86 17.015 -1.645 -10.905 1.00 0.00 ATOM 684 N GLN A 87 16.733 -1.965 -12.161 1.00 0.00 ATOM 685 CA GLN A 87 16.793 -1.001 -13.238 1.00 0.00 ATOM 686 CB GLN A 87 16.447 -1.714 -14.527 1.00 0.00 ATOM 687 CG GLN A 87 16.423 -0.873 -15.750 1.00 0.00 ATOM 688 CD GLN A 87 16.201 -1.727 -17.021 1.00 0.00 ATOM 689 OE1 GLN A 87 16.686 -2.879 -17.128 1.00 0.00 ATOM 690 NE2 GLN A 87 15.452 -1.168 -17.979 1.00 0.00 ATOM 691 O GLN A 87 16.220 1.319 -13.209 1.00 0.00 ATOM 692 C GLN A 87 15.838 0.162 -13.034 1.00 0.00 ATOM 693 N SER A 88 14.588 -0.150 -12.656 1.00 0.00 ATOM 694 CA SER A 88 13.582 0.875 -12.346 1.00 0.00 ATOM 695 CB SER A 88 12.213 0.228 -12.063 1.00 0.00 ATOM 696 OG SER A 88 11.824 -0.530 -13.192 1.00 0.00 ATOM 697 O SER A 88 13.859 2.963 -11.191 1.00 0.00 ATOM 698 C SER A 88 14.014 1.756 -11.165 1.00 0.00 ATOM 699 N TRP A 89 14.574 1.135 -10.147 1.00 0.00 ATOM 700 CA TRP A 89 15.030 1.872 -8.954 1.00 0.00 ATOM 701 CB TRP A 89 15.425 0.856 -7.877 1.00 0.00 ATOM 702 CG TRP A 89 16.130 1.333 -6.709 1.00 0.00 ATOM 703 CD1 TRP A 89 17.218 0.741 -6.174 1.00 0.00 ATOM 704 CD2 TRP A 89 15.821 2.454 -5.865 1.00 0.00 ATOM 705 CE2 TRP A 89 16.799 2.480 -4.855 1.00 0.00 ATOM 706 CE3 TRP A 89 14.842 3.461 -5.875 1.00 0.00 ATOM 707 NE1 TRP A 89 17.626 1.409 -5.064 1.00 0.00 ATOM 708 CZ2 TRP A 89 16.823 3.450 -3.853 1.00 0.00 ATOM 709 CZ3 TRP A 89 14.870 4.440 -4.862 1.00 0.00 ATOM 710 CH2 TRP A 89 15.872 4.422 -3.877 1.00 0.00 ATOM 711 O TRP A 89 16.260 3.949 -8.828 1.00 0.00 ATOM 712 C TRP A 89 16.181 2.836 -9.331 1.00 0.00 ATOM 713 N GLN A 90 17.060 2.401 -10.230 1.00 0.00 ATOM 714 CA GLN A 90 18.159 3.258 -10.696 1.00 0.00 ATOM 715 CB GLN A 90 19.127 2.458 -11.575 1.00 0.00 ATOM 716 CG GLN A 90 20.393 3.225 -11.902 1.00 0.00 ATOM 717 CD GLN A 90 21.141 3.616 -10.635 1.00 0.00 ATOM 718 OE1 GLN A 90 21.498 2.753 -9.821 1.00 0.00 ATOM 719 NE2 GLN A 90 21.342 4.923 -10.443 1.00 0.00 ATOM 720 O GLN A 90 18.110 5.580 -11.344 1.00 0.00 ATOM 721 C GLN A 90 17.624 4.455 -11.476 1.00 0.00 ATOM 722 N TYR A 91 16.605 4.210 -12.294 1.00 0.00 ATOM 723 CA TYR A 91 16.012 5.248 -13.101 1.00 0.00 ATOM 724 CB TYR A 91 14.909 4.648 -13.971 1.00 0.00 ATOM 725 CG TYR A 91 14.317 5.591 -14.979 1.00 0.00 ATOM 726 CD1 TYR A 91 13.329 6.488 -14.605 1.00 0.00 ATOM 727 CD2 TYR A 91 14.752 5.600 -16.300 1.00 0.00 ATOM 728 CE1 TYR A 91 12.765 7.365 -15.506 1.00 0.00 ATOM 729 CE2 TYR A 91 14.175 6.467 -17.230 1.00 0.00 ATOM 730 CZ TYR A 91 13.184 7.354 -16.814 1.00 0.00 ATOM 731 OH TYR A 91 12.614 8.230 -17.696 1.00 0.00 ATOM 732 O TYR A 91 15.611 7.526 -12.375 1.00 0.00 ATOM 733 C TYR A 91 15.415 6.299 -12.171 1.00 0.00 ATOM 734 N TYR A 92 14.682 5.801 -11.181 1.00 0.00 ATOM 735 CA TYR A 92 14.055 6.657 -10.183 1.00 0.00 ATOM 736 CB TYR A 92 13.219 5.824 -9.220 1.00 0.00 ATOM 737 CG TYR A 92 12.430 6.634 -8.156 1.00 0.00 ATOM 738 CD1 TYR A 92 12.993 6.941 -6.915 1.00 0.00 ATOM 739 CD2 TYR A 92 11.127 7.070 -8.405 1.00 0.00 ATOM 740 CE1 TYR A 92 12.279 7.641 -5.959 1.00 0.00 ATOM 741 CE2 TYR A 92 10.403 7.784 -7.446 1.00 0.00 ATOM 742 CZ TYR A 92 10.994 8.079 -6.230 1.00 0.00 ATOM 743 OH TYR A 92 10.299 8.801 -5.294 1.00 0.00 ATOM 744 O TYR A 92 14.958 8.686 -9.236 1.00 0.00 ATOM 745 C TYR A 92 15.123 7.490 -9.436 1.00 0.00 ATOM 746 N GLN A 93 16.183 6.839 -9.002 1.00 0.00 ATOM 747 CA GLN A 93 17.209 7.549 -8.235 1.00 0.00 ATOM 748 CB GLN A 93 18.306 6.610 -7.772 1.00 0.00 ATOM 749 CG GLN A 93 17.888 5.684 -6.677 1.00 0.00 ATOM 750 CD GLN A 93 19.021 4.775 -6.291 1.00 0.00 ATOM 751 OE1 GLN A 93 19.066 3.596 -6.681 1.00 0.00 ATOM 752 NE2 GLN A 93 19.978 5.327 -5.570 1.00 0.00 ATOM 753 O GLN A 93 18.131 9.738 -8.549 1.00 0.00 ATOM 754 C GLN A 93 17.825 8.653 -9.057 1.00 0.00 ATOM 755 N ASP A 94 18.010 8.408 -10.347 1.00 0.00 ATOM 756 CA ASP A 94 18.603 9.433 -11.182 1.00 0.00 ATOM 757 CB ASP A 94 18.899 8.849 -12.552 1.00 0.00 ATOM 758 CG ASP A 94 19.976 7.757 -12.516 1.00 0.00 ATOM 759 OD1 ASP A 94 20.639 7.561 -11.451 1.00 0.00 ATOM 760 OD2 ASP A 94 20.160 7.102 -13.579 1.00 0.00 ATOM 761 O ASP A 94 18.132 11.780 -11.332 1.00 0.00 ATOM 762 C ASP A 94 17.679 10.641 -11.348 1.00 0.00 ATOM 763 N ARG A 95 16.381 10.385 -11.516 1.00 0.00 ATOM 764 CA ARG A 95 15.388 11.467 -11.613 1.00 0.00 ATOM 765 CB ARG A 95 14.042 10.934 -12.108 1.00 0.00 ATOM 766 CG ARG A 95 14.053 10.379 -13.555 1.00 0.00 ATOM 767 CD ARG A 95 15.172 10.955 -14.386 1.00 0.00 ATOM 768 NE ARG A 95 15.290 10.381 -15.725 1.00 0.00 ATOM 769 CZ ARG A 95 15.820 9.194 -16.038 1.00 0.00 ATOM 770 NH1 ARG A 95 16.258 8.350 -15.117 1.00 0.00 ATOM 771 NH2 ARG A 95 15.890 8.845 -17.319 1.00 0.00 ATOM 772 O ARG A 95 15.018 13.425 -10.179 1.00 0.00 ATOM 773 C ARG A 95 15.242 12.198 -10.259 1.00 0.00 ATOM 774 N LEU A 96 15.389 11.426 -9.207 1.00 0.00 ATOM 775 CA LEU A 96 15.230 11.943 -7.859 1.00 0.00 ATOM 776 CB LEU A 96 15.417 10.829 -6.837 1.00 0.00 ATOM 777 CG LEU A 96 15.325 11.166 -5.336 1.00 0.00 ATOM 778 CD1 LEU A 96 13.970 11.816 -5.018 1.00 0.00 ATOM 779 CD2 LEU A 96 15.554 9.930 -4.487 1.00 0.00 ATOM 780 O LEU A 96 15.839 14.083 -7.098 1.00 0.00 ATOM 781 C LEU A 96 16.202 13.059 -7.627 1.00 0.00 ATOM 782 N MET A 97 17.426 12.871 -8.088 1.00 0.00 ATOM 783 CA MET A 97 18.491 13.805 -7.815 1.00 0.00 ATOM 784 CB MET A 97 19.803 13.045 -7.728 1.00 0.00 ATOM 785 CG MET A 97 19.741 11.926 -6.700 1.00 0.00 ATOM 786 SD MET A 97 19.366 12.559 -4.843 1.00 0.00 ATOM 787 CE MET A 97 18.987 10.766 -3.926 1.00 0.00 ATOM 788 O MET A 97 19.000 16.013 -8.521 1.00 0.00 ATOM 789 C MET A 97 18.586 14.922 -8.843 1.00 0.00 ATOM 790 N ALA A 98 18.152 14.669 -10.062 1.00 0.00 ATOM 791 CA ALA A 98 18.228 15.654 -11.136 1.00 0.00 ATOM 792 CB ALA A 98 18.590 14.942 -12.392 1.00 0.00 ATOM 793 O ALA A 98 15.820 15.809 -11.378 1.00 0.00 ATOM 794 C ALA A 98 16.900 16.411 -11.337 1.00 0.00 ATOM 795 N ASP A 99 16.974 17.732 -11.479 1.00 0.00 ATOM 796 CA ASP A 99 15.787 18.526 -11.861 1.00 0.00 ATOM 797 CB ASP A 99 16.115 20.042 -11.941 1.00 0.00 ATOM 798 CG ASP A 99 14.994 20.863 -12.599 1.00 0.00 ATOM 799 O ASP A 99 15.881 18.361 -14.262 1.00 0.00 ATOM 800 C ASP A 99 15.270 18.040 -13.221 1.00 0.00 ATOM 801 N PHE A 100 14.178 17.264 -13.227 1.00 0.00 ATOM 802 CA PHE A 100 13.515 16.945 -14.494 1.00 0.00 ATOM 803 CB PHE A 100 13.292 15.431 -14.656 1.00 0.00 ATOM 804 CG PHE A 100 12.239 14.847 -13.767 1.00 0.00 ATOM 805 CD1 PHE A 100 12.555 14.403 -12.493 1.00 0.00 ATOM 806 CD2 PHE A 100 10.942 14.690 -14.225 1.00 0.00 ATOM 807 CE1 PHE A 100 11.575 13.827 -11.682 1.00 0.00 ATOM 808 CE2 PHE A 100 9.966 14.128 -13.424 1.00 0.00 ATOM 809 CZ PHE A 100 10.283 13.699 -12.146 1.00 0.00 ATOM 810 O PHE A 100 11.766 18.466 -13.814 1.00 0.00 ATOM 811 C PHE A 100 12.251 17.809 -14.727 1.00 0.00 ATOM 812 N SER A 101 11.781 17.858 -15.967 1.00 0.00 ATOM 813 CA SER A 101 10.587 18.630 -16.312 1.00 0.00 ATOM 814 CB SER A 101 10.778 19.424 -17.623 1.00 0.00 ATOM 815 O SER A 101 9.498 16.656 -17.136 1.00 0.00 ATOM 816 C SER A 101 9.406 17.675 -16.453 1.00 0.00 ATOM 817 N THR A 102 8.298 18.010 -15.808 1.00 0.00 ATOM 818 CA THR A 102 7.058 17.245 -15.977 1.00 0.00 ATOM 819 CB THR A 102 6.264 17.053 -14.652 1.00 0.00 ATOM 820 CG2 THR A 102 7.052 16.207 -13.679 1.00 0.00 ATOM 821 OG1 THR A 102 5.978 18.324 -14.050 1.00 0.00 ATOM 822 O THR A 102 6.322 19.134 -17.267 1.00 0.00 ATOM 823 C THR A 102 6.181 17.941 -16.994 1.00 0.00 ATOM 824 N GLU A 103 5.300 17.157 -17.576 1.00 0.00 ATOM 825 CA GLU A 103 4.319 17.618 -18.527 1.00 0.00 ATOM 826 CB GLU A 103 4.720 17.175 -19.933 1.00 0.00 ATOM 827 CG GLU A 103 6.137 17.622 -20.354 1.00 0.00 ATOM 828 O GLU A 103 2.900 15.967 -17.459 1.00 0.00 ATOM 829 C GLU A 103 2.971 16.997 -18.152 1.00 0.00 ATOM 830 N THR A 104 1.895 17.613 -18.618 1.00 0.00 ATOM 831 CA THR A 104 0.562 17.032 -18.422 1.00 0.00 ATOM 832 CB THR A 104 -0.517 17.956 -19.000 1.00 0.00 ATOM 833 CG2 THR A 104 -1.910 17.314 -18.911 1.00 0.00 ATOM 834 OG1 THR A 104 -0.468 19.217 -18.299 1.00 0.00 ATOM 835 O THR A 104 1.018 15.533 -20.229 1.00 0.00 ATOM 836 C THR A 104 0.535 15.674 -19.103 1.00 0.00 ATOM 837 N THR A 105 0.001 14.667 -18.424 1.00 0.00 ATOM 838 CA THR A 105 0.012 13.317 -18.967 1.00 0.00 ATOM 839 CB THR A 105 -0.374 12.222 -17.923 1.00 0.00 ATOM 840 CG2 THR A 105 0.315 12.473 -16.602 1.00 0.00 ATOM 841 OG1 THR A 105 -1.805 12.155 -17.743 1.00 0.00 ATOM 842 O THR A 105 -1.674 14.192 -20.502 1.00 0.00 ATOM 843 C THR A 105 -0.910 13.245 -20.196 1.00 0.00 ATOM 844 N TYR A 106 -0.833 12.127 -20.899 1.00 0.00 ATOM 845 CA TYR A 106 -1.580 12.001 -22.163 1.00 0.00 ATOM 846 CB TYR A 106 -1.035 10.856 -23.030 1.00 0.00 ATOM 847 CG TYR A 106 -1.187 9.482 -22.442 1.00 0.00 ATOM 848 CD1 TYR A 106 -0.215 8.947 -21.591 1.00 0.00 ATOM 849 CD2 TYR A 106 -2.288 8.705 -22.750 1.00 0.00 ATOM 850 CE1 TYR A 106 -0.345 7.680 -21.048 1.00 0.00 ATOM 851 CE2 TYR A 106 -2.424 7.446 -22.226 1.00 0.00 ATOM 852 CZ TYR A 106 -1.454 6.933 -21.378 1.00 0.00 ATOM 853 OH TYR A 106 -1.594 5.669 -20.863 1.00 0.00 ATOM 854 O TYR A 106 -3.924 12.385 -22.656 1.00 0.00 ATOM 855 C TYR A 106 -3.090 11.869 -21.895 1.00 0.00 ATOM 856 N TRP A 107 -3.428 11.206 -20.793 1.00 0.00 ATOM 857 CA TRP A 107 -4.803 11.199 -20.299 1.00 0.00 ATOM 858 CB TRP A 107 -5.099 9.871 -19.585 1.00 0.00 ATOM 859 CG TRP A 107 -4.641 9.822 -18.179 1.00 0.00 ATOM 860 CD1 TRP A 107 -5.263 10.373 -17.098 1.00 0.00 ATOM 861 CD2 TRP A 107 -3.465 9.182 -17.685 1.00 0.00 ATOM 862 CE2 TRP A 107 -3.442 9.378 -16.290 1.00 0.00 ATOM 863 CE3 TRP A 107 -2.429 8.463 -18.285 1.00 0.00 ATOM 864 NE1 TRP A 107 -4.551 10.114 -15.965 1.00 0.00 ATOM 865 CZ2 TRP A 107 -2.417 8.878 -15.473 1.00 0.00 ATOM 866 CZ3 TRP A 107 -1.410 7.973 -17.481 1.00 0.00 ATOM 867 CH2 TRP A 107 -1.411 8.187 -16.080 1.00 0.00 ATOM 868 O TRP A 107 -6.272 12.582 -18.967 1.00 0.00 ATOM 869 C TRP A 107 -5.130 12.430 -19.400 1.00 0.00 ATOM 870 N GLY A 108 -4.134 13.281 -19.108 1.00 0.00 ATOM 871 CA GLY A 108 -4.379 14.659 -18.638 1.00 0.00 ATOM 872 O GLY A 108 -4.565 16.034 -16.675 1.00 0.00 ATOM 873 C GLY A 108 -4.128 14.976 -17.157 1.00 0.00 ATOM 874 N VAL A 109 -3.417 14.116 -16.428 1.00 0.00 ATOM 875 CA VAL A 109 -3.078 14.462 -15.024 1.00 0.00 ATOM 876 CB VAL A 109 -2.816 13.276 -14.157 1.00 0.00 ATOM 877 CG1 VAL A 109 -2.233 13.734 -12.804 1.00 0.00 ATOM 878 CG2 VAL A 109 -4.099 12.532 -13.933 1.00 0.00 ATOM 879 O VAL A 109 -0.910 15.136 -15.767 1.00 0.00 ATOM 880 C VAL A 109 -1.871 15.371 -15.012 1.00 0.00 ATOM 881 N THR A 110 -1.980 16.450 -14.229 1.00 0.00 ATOM 882 CA THR A 110 -0.900 17.412 -14.043 1.00 0.00 ATOM 883 CB THR A 110 -1.372 18.831 -14.374 1.00 0.00 ATOM 884 CG2 THR A 110 -0.186 19.780 -14.430 1.00 0.00 ATOM 885 OG1 THR A 110 -2.048 18.826 -15.656 1.00 0.00 ATOM 886 O THR A 110 -1.197 17.269 -11.665 1.00 0.00 ATOM 887 C THR A 110 -0.397 17.361 -12.587 1.00 0.00 ATOM 888 N ASP A 111 0.919 17.373 -12.391 1.00 0.00 ATOM 889 CA ASP A 111 1.518 17.394 -11.032 1.00 0.00 ATOM 890 CB ASP A 111 1.477 15.993 -10.392 1.00 0.00 ATOM 891 CG ASP A 111 1.633 16.001 -8.844 1.00 0.00 ATOM 892 OD1 ASP A 111 1.892 17.092 -8.242 1.00 0.00 ATOM 893 OD2 ASP A 111 1.470 14.869 -8.293 1.00 0.00 ATOM 894 O ASP A 111 3.490 17.865 -12.300 1.00 0.00 ATOM 895 C ASP A 111 2.931 17.894 -11.195 1.00 0.00 ATOM 896 N SER A 112 3.487 18.405 -10.099 1.00 0.00 ATOM 897 CA SER A 112 4.872 18.849 -10.044 1.00 0.00 ATOM 898 CB SER A 112 5.103 19.612 -8.754 1.00 0.00 ATOM 899 OG SER A 112 4.966 18.770 -7.636 1.00 0.00 ATOM 900 O SER A 112 5.430 16.540 -9.945 1.00 0.00 ATOM 901 C SER A 112 5.840 17.678 -10.096 1.00 0.00 ATOM 902 N THR A 113 7.119 17.954 -10.342 1.00 0.00 ATOM 903 CA THR A 113 8.186 16.944 -10.252 1.00 0.00 ATOM 904 CB THR A 113 9.587 17.606 -10.498 1.00 0.00 ATOM 905 CG2 THR A 113 10.684 16.571 -10.600 1.00 0.00 ATOM 906 OG1 THR A 113 9.567 18.372 -11.712 1.00 0.00 ATOM 907 O THR A 113 8.231 15.039 -8.742 1.00 0.00 ATOM 908 C THR A 113 8.162 16.268 -8.876 1.00 0.00 ATOM 909 N THR A 114 8.050 17.090 -7.838 1.00 0.00 ATOM 910 CA THR A 114 8.036 16.545 -6.466 1.00 0.00 ATOM 911 CB THR A 114 8.156 17.692 -5.430 1.00 0.00 ATOM 912 CG2 THR A 114 8.385 17.172 -4.181 1.00 0.00 ATOM 913 OG1 THR A 114 9.294 18.477 -5.800 1.00 0.00 ATOM 914 O THR A 114 6.859 14.617 -5.597 1.00 0.00 ATOM 915 C THR A 114 6.794 15.688 -6.209 1.00 0.00 ATOM 916 N GLY A 115 5.643 16.130 -6.700 1.00 0.00 ATOM 917 CA GLY A 115 4.439 15.319 -6.631 1.00 0.00 ATOM 918 O GLY A 115 4.108 12.981 -6.824 1.00 0.00 ATOM 919 C GLY A 115 4.506 13.997 -7.368 1.00 0.00 ATOM 920 N TRP A 116 5.071 13.972 -8.556 1.00 0.00 ATOM 921 CA TRP A 116 5.250 12.719 -9.272 1.00 0.00 ATOM 922 CB TRP A 116 5.703 12.970 -10.728 1.00 0.00 ATOM 923 CG TRP A 116 4.565 13.352 -11.651 1.00 0.00 ATOM 924 CD1 TRP A 116 4.353 14.566 -12.260 1.00 0.00 ATOM 925 CD2 TRP A 116 3.477 12.499 -12.060 1.00 0.00 ATOM 926 CE2 TRP A 116 2.637 13.266 -12.902 1.00 0.00 ATOM 927 CE3 TRP A 116 3.136 11.175 -11.783 1.00 0.00 ATOM 928 NE1 TRP A 116 3.192 14.510 -13.017 1.00 0.00 ATOM 929 CZ2 TRP A 116 1.493 12.746 -13.475 1.00 0.00 ATOM 930 CZ3 TRP A 116 1.985 10.651 -12.377 1.00 0.00 ATOM 931 CH2 TRP A 116 1.196 11.452 -13.222 1.00 0.00 ATOM 932 O TRP A 116 5.973 10.549 -8.567 1.00 0.00 ATOM 933 C TRP A 116 6.203 11.748 -8.589 1.00 0.00 ATOM 934 N LEU A 117 7.297 12.259 -8.054 1.00 0.00 ATOM 935 CA LEU A 117 8.193 11.437 -7.275 1.00 0.00 ATOM 936 CB LEU A 117 9.410 12.247 -6.906 1.00 0.00 ATOM 937 CG LEU A 117 10.410 12.586 -8.003 1.00 0.00 ATOM 938 CD1 LEU A 117 11.403 13.726 -7.653 1.00 0.00 ATOM 939 CD2 LEU A 117 11.114 11.344 -8.567 1.00 0.00 ATOM 940 O LEU A 117 7.712 9.658 -5.722 1.00 0.00 ATOM 941 C LEU A 117 7.510 10.834 -6.042 1.00 0.00 ATOM 942 N LEU A 118 6.667 11.617 -5.382 1.00 0.00 ATOM 943 CA LEU A 118 5.872 11.054 -4.282 1.00 0.00 ATOM 944 CB LEU A 118 5.216 12.152 -3.440 1.00 0.00 ATOM 945 CG LEU A 118 4.240 11.731 -2.321 1.00 0.00 ATOM 946 CD1 LEU A 118 4.904 10.765 -1.330 1.00 0.00 ATOM 947 CD2 LEU A 118 3.722 13.008 -1.629 1.00 0.00 ATOM 948 O LEU A 118 4.572 9.007 -4.157 1.00 0.00 ATOM 949 C LEU A 118 4.807 10.062 -4.797 1.00 0.00 ATOM 950 N GLU A 119 4.161 10.343 -5.940 1.00 0.00 ATOM 951 CA GLU A 119 3.138 9.457 -6.473 1.00 0.00 ATOM 952 CB GLU A 119 2.533 10.045 -7.749 1.00 0.00 ATOM 953 CG GLU A 119 1.324 9.296 -8.351 1.00 0.00 ATOM 954 CD GLU A 119 1.696 7.973 -9.045 1.00 0.00 ATOM 955 OE1 GLU A 119 2.824 7.881 -9.568 1.00 0.00 ATOM 956 OE2 GLU A 119 0.880 7.022 -9.097 1.00 0.00 ATOM 957 O GLU A 119 3.068 7.086 -6.446 1.00 0.00 ATOM 958 C GLU A 119 3.710 8.084 -6.743 1.00 0.00 ATOM 959 N ALA A 120 4.939 8.013 -7.232 1.00 0.00 ATOM 960 CA ALA A 120 5.486 6.732 -7.636 1.00 0.00 ATOM 961 CB ALA A 120 6.744 6.927 -8.455 1.00 0.00 ATOM 962 O ALA A 120 5.626 4.784 -6.268 1.00 0.00 ATOM 963 C ALA A 120 5.788 5.993 -6.328 1.00 0.00 ATOM 964 N ALA A 121 6.251 6.708 -5.303 1.00 0.00 ATOM 965 CA ALA A 121 6.512 6.112 -3.981 1.00 0.00 ATOM 966 CB ALA A 121 7.111 7.161 -2.989 1.00 0.00 ATOM 967 O ALA A 121 5.275 4.232 -2.988 1.00 0.00 ATOM 968 C ALA A 121 5.255 5.413 -3.365 1.00 0.00 ATOM 969 N VAL A 122 4.162 6.149 -3.264 1.00 0.00 ATOM 970 CA VAL A 122 2.943 5.597 -2.701 1.00 0.00 ATOM 971 CB VAL A 122 1.879 6.702 -2.326 1.00 0.00 ATOM 972 CG1 VAL A 122 2.467 7.641 -1.273 1.00 0.00 ATOM 973 CG2 VAL A 122 1.380 7.497 -3.532 1.00 0.00 ATOM 974 O VAL A 122 1.733 3.602 -3.093 1.00 0.00 ATOM 975 C VAL A 122 2.338 4.531 -3.592 1.00 0.00 ATOM 976 N HIS A 123 2.500 4.640 -4.913 1.00 0.00 ATOM 977 CA HIS A 123 2.095 3.557 -5.816 1.00 0.00 ATOM 978 CB HIS A 123 2.238 4.090 -7.261 1.00 0.00 ATOM 979 CG HIS A 123 1.654 3.216 -8.289 1.00 0.00 ATOM 980 CD2 HIS A 123 0.794 2.184 -8.193 1.00 0.00 ATOM 981 ND1 HIS A 123 1.956 3.355 -9.616 1.00 0.00 ATOM 982 CE1 HIS A 123 1.302 2.445 -10.300 1.00 0.00 ATOM 983 NE2 HIS A 123 0.586 1.743 -9.451 1.00 0.00 ATOM 984 O HIS A 123 2.305 1.150 -5.476 1.00 0.00 ATOM 985 C HIS A 123 2.879 2.246 -5.576 1.00 0.00 ATOM 986 N LEU A 124 4.164 2.380 -5.304 1.00 0.00 ATOM 987 CA LEU A 124 4.994 1.255 -4.922 1.00 0.00 ATOM 988 CB LEU A 124 6.480 1.660 -4.799 1.00 0.00 ATOM 989 CG LEU A 124 7.449 0.499 -4.531 1.00 0.00 ATOM 990 CD1 LEU A 124 7.710 -0.307 -5.795 1.00 0.00 ATOM 991 CD2 LEU A 124 8.779 1.069 -3.923 1.00 0.00 ATOM 992 O LEU A 124 4.341 -0.696 -3.600 1.00 0.00 ATOM 993 C LEU A 124 4.519 0.552 -3.625 1.00 0.00 ATOM 994 N TYR A 125 4.237 1.317 -2.605 1.00 0.00 ATOM 995 CA TYR A 125 3.757 0.793 -1.321 1.00 0.00 ATOM 996 CB TYR A 125 3.835 1.884 -0.225 1.00 0.00 ATOM 997 CG TYR A 125 5.214 1.938 0.437 1.00 0.00 ATOM 998 CD1 TYR A 125 6.261 2.667 -0.162 1.00 0.00 ATOM 999 CD2 TYR A 125 5.444 1.342 1.652 1.00 0.00 ATOM 1000 CE1 TYR A 125 7.528 2.709 0.372 1.00 0.00 ATOM 1001 CE2 TYR A 125 6.694 1.399 2.236 1.00 0.00 ATOM 1002 CZ TYR A 125 7.719 2.129 1.625 1.00 0.00 ATOM 1003 OH TYR A 125 8.951 2.172 2.226 1.00 0.00 ATOM 1004 O TYR A 125 2.079 -0.797 -0.862 1.00 0.00 ATOM 1005 C TYR A 125 2.367 0.213 -1.467 1.00 0.00 ATOM 1006 N HIS A 126 1.516 0.788 -2.315 1.00 0.00 ATOM 1007 CA HIS A 126 0.199 0.188 -2.639 1.00 0.00 ATOM 1008 CB HIS A 126 -0.527 1.074 -3.665 1.00 0.00 ATOM 1009 CG HIS A 126 -1.805 0.493 -4.218 1.00 0.00 ATOM 1010 CD2 HIS A 126 -2.059 -0.168 -5.374 1.00 0.00 ATOM 1011 ND1 HIS A 126 -2.998 0.539 -3.529 1.00 0.00 ATOM 1012 CE1 HIS A 126 -3.946 -0.046 -4.251 1.00 0.00 ATOM 1013 NE2 HIS A 126 -3.405 -0.497 -5.372 1.00 0.00 ATOM 1014 O HIS A 126 -0.287 -2.187 -2.678 1.00 0.00 ATOM 1015 C HIS A 126 0.355 -1.263 -3.153 1.00 0.00 ATOM 1016 N HIS A 127 1.200 -1.458 -4.162 1.00 0.00 ATOM 1017 CA HIS A 127 1.330 -2.764 -4.715 1.00 0.00 ATOM 1018 CB HIS A 127 1.748 -2.739 -6.182 1.00 0.00 ATOM 1019 CG HIS A 127 0.725 -2.153 -7.089 1.00 0.00 ATOM 1020 CD2 HIS A 127 0.765 -1.055 -7.864 1.00 0.00 ATOM 1021 ND1 HIS A 127 -0.494 -2.757 -7.324 1.00 0.00 ATOM 1022 CE1 HIS A 127 -1.152 -2.029 -8.222 1.00 0.00 ATOM 1023 NE2 HIS A 127 -0.440 -0.949 -8.510 1.00 0.00 ATOM 1024 O HIS A 127 1.999 -4.916 -4.021 1.00 0.00 ATOM 1025 C HIS A 127 2.219 -3.697 -3.932 1.00 0.00 ATOM 1026 N ARG A 128 3.193 -3.201 -3.167 1.00 0.00 ATOM 1027 CA ARG A 128 3.958 -4.069 -2.271 1.00 0.00 ATOM 1028 CB ARG A 128 4.974 -3.279 -1.499 1.00 0.00 ATOM 1029 CG ARG A 128 5.930 -4.163 -0.680 1.00 0.00 ATOM 1030 CD ARG A 128 6.851 -3.383 0.251 1.00 0.00 ATOM 1031 NE ARG A 128 6.097 -2.730 1.326 1.00 0.00 ATOM 1032 CZ ARG A 128 6.623 -2.346 2.480 1.00 0.00 ATOM 1033 NH1 ARG A 128 7.910 -2.488 2.715 1.00 0.00 ATOM 1034 NH2 ARG A 128 5.847 -1.747 3.367 1.00 0.00 ATOM 1035 O ARG A 128 3.047 -5.950 -0.966 1.00 0.00 ATOM 1036 C ARG A 128 2.979 -4.732 -1.278 1.00 0.00 ATOM 1037 N SER A 129 2.038 -3.931 -0.761 1.00 0.00 ATOM 1038 CA SER A 129 0.992 -4.442 0.144 1.00 0.00 ATOM 1039 CB SER A 129 0.086 -3.305 0.611 1.00 0.00 ATOM 1040 OG SER A 129 -0.765 -3.735 1.663 1.00 0.00 ATOM 1041 O SER A 129 -0.139 -6.609 0.090 1.00 0.00 ATOM 1042 C SER A 129 0.153 -5.525 -0.524 1.00 0.00 ATOM 1043 N GLN A 130 -0.254 -5.274 -1.768 1.00 0.00 ATOM 1044 CA GLN A 130 -1.035 -6.260 -2.519 1.00 0.00 ATOM 1045 CB GLN A 130 -1.266 -5.761 -3.920 1.00 0.00 ATOM 1046 CG GLN A 130 -2.218 -6.570 -4.719 1.00 0.00 ATOM 1047 CD GLN A 130 -2.590 -5.893 -6.025 1.00 0.00 ATOM 1048 OE1 GLN A 130 -2.100 -4.810 -6.341 1.00 0.00 ATOM 1049 NE2 GLN A 130 -3.504 -6.531 -6.795 1.00 0.00 ATOM 1050 O GLN A 130 -0.861 -8.682 -2.336 1.00 0.00 ATOM 1051 C GLN A 130 -0.273 -7.592 -2.595 1.00 0.00 ATOM 1052 N LEU A 131 1.010 -7.512 -2.963 1.00 0.00 ATOM 1053 CA LEU A 131 1.837 -8.723 -3.126 1.00 0.00 ATOM 1054 CB LEU A 131 3.241 -8.417 -3.698 1.00 0.00 ATOM 1055 CG LEU A 131 4.145 -9.653 -3.879 1.00 0.00 ATOM 1056 CD1 LEU A 131 3.478 -10.761 -4.807 1.00 0.00 ATOM 1057 CD2 LEU A 131 5.548 -9.162 -4.344 1.00 0.00 ATOM 1058 O LEU A 131 1.785 -10.657 -1.725 1.00 0.00 ATOM 1059 C LEU A 131 1.933 -9.417 -1.800 1.00 0.00 ATOM 1060 N LEU A 132 2.124 -8.648 -0.737 1.00 0.00 ATOM 1061 CA LEU A 132 2.209 -9.251 0.587 1.00 0.00 ATOM 1062 CB LEU A 132 2.513 -8.175 1.616 1.00 0.00 ATOM 1063 CG LEU A 132 2.633 -8.592 3.083 1.00 0.00 ATOM 1064 CD1 LEU A 132 4.009 -9.166 3.331 1.00 0.00 ATOM 1065 CD2 LEU A 132 2.395 -7.323 3.966 1.00 0.00 ATOM 1066 O LEU A 132 0.907 -11.168 1.476 1.00 0.00 ATOM 1067 C LEU A 132 0.887 -10.006 0.954 1.00 0.00 ATOM 1068 N ASP A 133 -0.245 -9.368 0.684 1.00 0.00 ATOM 1069 CA ASP A 133 -1.550 -10.003 0.940 1.00 0.00 ATOM 1070 CB ASP A 133 -2.710 -9.094 0.592 1.00 0.00 ATOM 1071 CG ASP A 133 -2.872 -7.940 1.548 1.00 0.00 ATOM 1072 OD1 ASP A 133 -2.283 -7.977 2.666 1.00 0.00 ATOM 1073 OD2 ASP A 133 -3.635 -6.991 1.161 1.00 0.00 ATOM 1074 O ASP A 133 -2.200 -12.287 0.631 1.00 0.00 ATOM 1075 C ASP A 133 -1.701 -11.294 0.119 1.00 0.00 ATOM 1076 N TYR A 134 -1.268 -11.275 -1.136 1.00 0.00 ATOM 1077 CA TYR A 134 -1.349 -12.458 -1.962 1.00 0.00 ATOM 1078 CB TYR A 134 -0.770 -12.215 -3.344 1.00 0.00 ATOM 1079 CG TYR A 134 -1.660 -11.516 -4.344 1.00 0.00 ATOM 1080 CD1 TYR A 134 -2.789 -10.817 -3.953 1.00 0.00 ATOM 1081 CD2 TYR A 134 -1.344 -11.551 -5.694 1.00 0.00 ATOM 1082 CE1 TYR A 134 -3.569 -10.135 -4.884 1.00 0.00 ATOM 1083 CE2 TYR A 134 -2.132 -10.911 -6.629 1.00 0.00 ATOM 1084 CZ TYR A 134 -3.247 -10.210 -6.223 1.00 0.00 ATOM 1085 OH TYR A 134 -4.015 -9.565 -7.167 1.00 0.00 ATOM 1086 O TYR A 134 -1.007 -14.740 -1.312 1.00 0.00 ATOM 1087 C TYR A 134 -0.530 -13.605 -1.362 1.00 0.00 ATOM 1088 N LEU A 135 0.720 -13.317 -0.995 1.00 0.00 ATOM 1089 CA LEU A 135 1.599 -14.374 -0.498 1.00 0.00 ATOM 1090 CB LEU A 135 3.062 -13.880 -0.368 1.00 0.00 ATOM 1091 CG LEU A 135 3.775 -13.571 -1.698 1.00 0.00 ATOM 1092 CD1 LEU A 135 5.286 -13.253 -1.430 1.00 0.00 ATOM 1093 CD2 LEU A 135 3.612 -14.586 -2.799 1.00 0.00 ATOM 1094 O LEU A 135 0.999 -16.080 1.036 1.00 0.00 ATOM 1095 C LEU A 135 1.046 -14.897 0.826 1.00 0.00 ATOM 1096 N ASN A 136 0.546 -14.012 1.682 1.00 0.00 ATOM 1097 CA ASN A 136 -0.088 -14.456 2.926 1.00 0.00 ATOM 1098 CB ASN A 136 -0.351 -13.268 3.836 1.00 0.00 ATOM 1099 CG ASN A 136 0.903 -12.797 4.567 1.00 0.00 ATOM 1100 ND2 ASN A 136 0.966 -11.505 4.822 1.00 0.00 ATOM 1101 OD1 ASN A 136 1.796 -13.592 4.881 1.00 0.00 ATOM 1102 O ASN A 136 -1.656 -16.230 3.407 1.00 0.00 ATOM 1103 C ASN A 136 -1.384 -15.246 2.698 1.00 0.00 ATOM 1104 N LEU A 137 -2.174 -14.857 1.708 1.00 0.00 ATOM 1105 CA LEU A 137 -3.324 -15.679 1.258 1.00 0.00 ATOM 1106 CB LEU A 137 -4.031 -15.036 0.080 1.00 0.00 ATOM 1107 CG LEU A 137 -5.031 -13.912 0.443 1.00 0.00 ATOM 1108 CD1 LEU A 137 -5.439 -13.069 -0.775 1.00 0.00 ATOM 1109 CD2 LEU A 137 -6.225 -14.467 1.080 1.00 0.00 ATOM 1110 O LEU A 137 -3.612 -18.062 1.011 1.00 0.00 ATOM 1111 C LEU A 137 -2.884 -17.091 0.835 1.00 0.00 ATOM 1112 N LEU A 138 -1.660 -17.196 0.312 1.00 0.00 ATOM 1113 CA LEU A 138 -1.120 -18.466 -0.141 1.00 0.00 ATOM 1114 CB LEU A 138 -0.234 -18.244 -1.375 1.00 0.00 ATOM 1115 CG LEU A 138 -0.965 -17.816 -2.664 1.00 0.00 ATOM 1116 CD1 LEU A 138 0.020 -17.318 -3.766 1.00 0.00 ATOM 1117 CD2 LEU A 138 -1.849 -18.938 -3.206 1.00 0.00 ATOM 1118 O LEU A 138 0.313 -20.179 0.699 1.00 0.00 ATOM 1119 C LEU A 138 -0.372 -19.216 0.973 1.00 0.00 ATOM 1120 N GLY A 139 -0.488 -18.767 2.222 1.00 0.00 ATOM 1121 CA GLY A 139 0.112 -19.492 3.352 1.00 0.00 ATOM 1122 O GLY A 139 2.203 -19.957 4.358 1.00 0.00 ATOM 1123 C GLY A 139 1.579 -19.230 3.611 1.00 0.00 ATOM 1124 N TYR A 140 2.153 -18.168 3.069 1.00 0.00 ATOM 1125 CA TYR A 140 3.567 -17.921 3.278 1.00 0.00 ATOM 1126 CB TYR A 140 4.101 -16.925 2.251 1.00 0.00 ATOM 1127 CG TYR A 140 4.340 -17.439 0.848 1.00 0.00 ATOM 1128 CD1 TYR A 140 3.317 -17.993 0.083 1.00 0.00 ATOM 1129 CD2 TYR A 140 5.597 -17.316 0.259 1.00 0.00 ATOM 1130 CE1 TYR A 140 3.547 -18.445 -1.228 1.00 0.00 ATOM 1131 CE2 TYR A 140 5.840 -17.743 -1.042 1.00 0.00 ATOM 1132 CZ TYR A 140 4.807 -18.308 -1.786 1.00 0.00 ATOM 1133 OH TYR A 140 5.054 -18.723 -3.072 1.00 0.00 ATOM 1134 O TYR A 140 5.019 -17.353 5.124 1.00 0.00 ATOM 1135 C TYR A 140 3.869 -17.343 4.685 1.00 0.00 ATOM 1136 N ASP A 141 2.878 -16.761 5.363 1.00 0.00 ATOM 1137 CA ASP A 141 3.069 -16.284 6.741 1.00 0.00 ATOM 1138 CB ASP A 141 3.182 -17.512 7.683 1.00 0.00 ATOM 1139 CG ASP A 141 3.208 -17.139 9.168 1.00 0.00 ATOM 1140 OD1 ASP A 141 3.095 -15.938 9.505 1.00 0.00 ATOM 1141 OD2 ASP A 141 3.319 -18.075 9.997 1.00 0.00 ATOM 1142 O ASP A 141 5.236 -15.626 7.633 1.00 0.00 ATOM 1143 C ASP A 141 4.313 -15.378 6.843 1.00 0.00 ATOM 1144 N ILE A 142 4.336 -14.325 6.046 1.00 0.00 ATOM 1145 CA ILE A 142 5.562 -13.499 5.917 1.00 0.00 ATOM 1146 CB ILE A 142 5.472 -12.567 4.692 1.00 0.00 ATOM 1147 CG1 ILE A 142 5.636 -13.441 3.420 1.00 0.00 ATOM 1148 CG2 ILE A 142 6.513 -11.371 4.751 1.00 0.00 ATOM 1149 CD1 ILE A 142 4.753 -13.059 2.344 1.00 0.00 ATOM 1150 O ILE A 142 5.135 -12.056 7.805 1.00 0.00 ATOM 1151 C ILE A 142 5.954 -12.742 7.190 1.00 0.00 ATOM 1152 N LYS A 143 7.232 -12.887 7.573 1.00 0.00 ATOM 1153 CA LYS A 143 7.783 -12.283 8.784 1.00 0.00 ATOM 1154 CB LYS A 143 8.291 -13.371 9.753 1.00 0.00 ATOM 1155 CG LYS A 143 7.320 -14.561 10.040 1.00 0.00 ATOM 1156 CD LYS A 143 6.093 -14.162 10.863 1.00 0.00 ATOM 1157 O LYS A 143 9.941 -11.225 9.140 1.00 0.00 ATOM 1158 C LYS A 143 8.929 -11.295 8.433 1.00 0.00 ATOM 1159 N LEU A 144 8.747 -10.528 7.358 1.00 0.00 ATOM 1160 CA LEU A 144 9.743 -9.555 6.866 1.00 0.00 ATOM 1161 CB LEU A 144 9.642 -9.462 5.335 1.00 0.00 ATOM 1162 CG LEU A 144 10.861 -9.435 4.419 1.00 0.00 ATOM 1163 CD1 LEU A 144 11.028 -10.791 3.702 1.00 0.00 ATOM 1164 CD2 LEU A 144 10.619 -8.350 3.414 1.00 0.00 ATOM 1165 O LEU A 144 8.284 -7.720 7.385 1.00 0.00 ATOM 1166 C LEU A 144 9.429 -8.178 7.465 1.00 0.00 ATOM 1167 N ASP A 145 10.416 -7.510 8.055 1.00 0.00 ATOM 1168 CA ASP A 145 10.186 -6.161 8.581 1.00 0.00 ATOM 1169 CB ASP A 145 11.360 -5.698 9.474 1.00 0.00 ATOM 1170 CG ASP A 145 11.027 -4.434 10.302 1.00 0.00 ATOM 1171 OD1 ASP A 145 10.067 -3.700 9.942 1.00 0.00 ATOM 1172 OD2 ASP A 145 11.737 -4.171 11.312 1.00 0.00 ATOM 1173 O ASP A 145 10.843 -4.829 6.650 1.00 0.00 ATOM 1174 C ASP A 145 9.934 -5.173 7.413 1.00 0.00 ATOM 1175 N LEU A 146 8.686 -4.726 7.306 1.00 0.00 ATOM 1176 CA LEU A 146 8.211 -3.902 6.179 1.00 0.00 ATOM 1177 CB LEU A 146 6.716 -4.179 5.925 1.00 0.00 ATOM 1178 CG LEU A 146 6.264 -5.628 5.683 1.00 0.00 ATOM 1179 CD1 LEU A 146 4.757 -5.612 5.592 1.00 0.00 ATOM 1180 CD2 LEU A 146 6.892 -6.250 4.438 1.00 0.00 ATOM 1181 O LEU A 146 8.306 -1.604 5.444 1.00 0.00 ATOM 1182 C LEU A 146 8.411 -2.392 6.385 1.00 0.00 ATOM 1183 N PHE 147 8.655 -2.005 7.633 1.00 0.00 ATOM 1184 CA PHE 147 8.992 -0.635 7.999 1.00 0.00 ENDMDL # command:# Prefix for output files set to decoys/ # command:# request to SCWRL produces command: ulimit -t 134 ; scwrl3 -i /var/tmp/to_scwrl_1173249812.pdb -s /var/tmp/to_scwrl_1173249812.seq -o /var/tmp/from_scwrl_1173249812.pdb > /var/tmp/scwrl_1173249812.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1173249812.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 102 # 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 = -63.014 # GDT_score(maxd=8.000,maxw=2.900)= -65.660 # GDT_score(maxd=8.000,maxw=3.200)= -61.629 # GDT_score(maxd=8.000,maxw=3.500)= -57.840 # GDT_score(maxd=10.000,maxw=3.800)= -61.634 # GDT_score(maxd=10.000,maxw=4.000)= -59.272 # GDT_score(maxd=10.000,maxw=4.200)= -57.085 # GDT_score(maxd=12.000,maxw=4.300)= -61.372 # GDT_score(maxd=12.000,maxw=4.500)= -59.231 # GDT_score(maxd=12.000,maxw=4.700)= -57.181 # GDT_score(maxd=14.000,maxw=5.200)= -56.507 # GDT_score(maxd=14.000,maxw=5.500)= -53.888 # command:# request to SCWRL produces command: ulimit -t 134 ; scwrl3 -i /var/tmp/to_scwrl_310796335.pdb -s /var/tmp/to_scwrl_310796335.seq -o /var/tmp/from_scwrl_310796335.pdb > /var/tmp/scwrl_310796335.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_310796335.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 140 # 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 = -61.986 # GDT_score(maxd=8.000,maxw=2.900)= -64.058 # GDT_score(maxd=8.000,maxw=3.200)= -60.050 # GDT_score(maxd=8.000,maxw=3.500)= -56.257 # GDT_score(maxd=10.000,maxw=3.800)= -60.180 # GDT_score(maxd=10.000,maxw=4.000)= -57.822 # GDT_score(maxd=10.000,maxw=4.200)= -55.562 # GDT_score(maxd=12.000,maxw=4.300)= -59.998 # GDT_score(maxd=12.000,maxw=4.500)= -57.782 # GDT_score(maxd=12.000,maxw=4.700)= -55.714 # GDT_score(maxd=14.000,maxw=5.200)= -55.091 # GDT_score(maxd=14.000,maxw=5.500)= -52.514 # command:# request to SCWRL produces command: ulimit -t 134 ; scwrl3 -i /var/tmp/to_scwrl_1238581723.pdb -s /var/tmp/to_scwrl_1238581723.seq -o /var/tmp/from_scwrl_1238581723.pdb > /var/tmp/scwrl_1238581723.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1238581723.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 143 # 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 = -64.041 # GDT_score(maxd=8.000,maxw=2.900)= -66.257 # GDT_score(maxd=8.000,maxw=3.200)= -62.045 # GDT_score(maxd=8.000,maxw=3.500)= -58.333 # GDT_score(maxd=10.000,maxw=3.800)= -62.098 # GDT_score(maxd=10.000,maxw=4.000)= -59.823 # GDT_score(maxd=10.000,maxw=4.200)= -57.698 # GDT_score(maxd=12.000,maxw=4.300)= -61.902 # GDT_score(maxd=12.000,maxw=4.500)= -59.815 # GDT_score(maxd=12.000,maxw=4.700)= -57.861 # GDT_score(maxd=14.000,maxw=5.200)= -57.239 # GDT_score(maxd=14.000,maxw=5.500)= -54.659 # command:# request to SCWRL produces command: ulimit -t 134 ; scwrl3 -i /var/tmp/to_scwrl_2053956119.pdb -s /var/tmp/to_scwrl_2053956119.seq -o /var/tmp/from_scwrl_2053956119.pdb > /var/tmp/scwrl_2053956119.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2053956119.pdb # conformation set from SCWRL output # command:# naming current conformation model4-scwrl # command:# ReadConformPDB reading from PDB file model5.ts-submitted looking for model 1 # Found a chain break before 145 # copying to AlignedFragments data structure # command:Warning: Couldn't open file decoys/model5.gdt for output # fraction of real conformation used = 1.000 # GDT_score = -50.171 # GDT_score(maxd=8.000,maxw=2.900)= -50.644 # GDT_score(maxd=8.000,maxw=3.200)= -48.164 # GDT_score(maxd=8.000,maxw=3.500)= -45.952 # GDT_score(maxd=10.000,maxw=3.800)= -49.014 # GDT_score(maxd=10.000,maxw=4.000)= -47.583 # GDT_score(maxd=10.000,maxw=4.200)= -46.142 # GDT_score(maxd=12.000,maxw=4.300)= -49.609 # GDT_score(maxd=12.000,maxw=4.500)= -48.144 # GDT_score(maxd=12.000,maxw=4.700)= -46.681 # GDT_score(maxd=14.000,maxw=5.200)= -46.730 # GDT_score(maxd=14.000,maxw=5.500)= -44.739 # command:# request to SCWRL produces command: ulimit -t 134 ; scwrl3 -i /var/tmp/to_scwrl_1603645265.pdb -s /var/tmp/to_scwrl_1603645265.seq -o /var/tmp/from_scwrl_1603645265.pdb > /var/tmp/scwrl_1603645265.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1603645265.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 T0369.try1-opt2.pdb looking for model 1 # Found a chain break before 130 # 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 = -50.342 # GDT_score(maxd=8.000,maxw=2.900)= -50.689 # GDT_score(maxd=8.000,maxw=3.200)= -48.217 # GDT_score(maxd=8.000,maxw=3.500)= -46.023 # GDT_score(maxd=10.000,maxw=3.800)= -49.077 # GDT_score(maxd=10.000,maxw=4.000)= -47.642 # GDT_score(maxd=10.000,maxw=4.200)= -46.188 # GDT_score(maxd=12.000,maxw=4.300)= -49.658 # GDT_score(maxd=12.000,maxw=4.500)= -48.185 # GDT_score(maxd=12.000,maxw=4.700)= -46.727 # GDT_score(maxd=14.000,maxw=5.200)= -46.758 # GDT_score(maxd=14.000,maxw=5.500)= -44.747 # command:# Prefix for output files set to # command:Warning: Couldn't open file T0369.try1-real.pdb for output Error: Couldn't open file T0369.try1-real.pdb for output superimposing iter= 0 total_weight= 1766.000 rmsd (weighted)= 9.039 (unweighted)= 10.282 superimposing iter= 1 total_weight= 3279.433 rmsd (weighted)= 4.769 (unweighted)= 10.637 superimposing iter= 2 total_weight= 2151.460 rmsd (weighted)= 3.341 (unweighted)= 11.014 superimposing iter= 3 total_weight= 1675.090 rmsd (weighted)= 2.714 (unweighted)= 11.302 superimposing iter= 4 total_weight= 1523.063 rmsd (weighted)= 2.342 (unweighted)= 11.522 superimposing iter= 5 total_weight= 1427.009 rmsd (weighted)= 2.105 (unweighted)= 11.680 EXPDTA T0369.try1-opt2.pdb MODEL 1 REMARK 44 REMARK 44 model 1 is called T0369.try1-opt2.pdb ATOM 1 N MET A 1 16.059 19.425 -13.887 1.00 0.00 ATOM 2 CA MET A 1 17.463 19.359 -13.412 1.00 0.00 ATOM 3 CB MET A 1 17.574 19.919 -11.992 1.00 0.00 ATOM 4 CG MET A 1 18.999 20.027 -11.477 1.00 0.00 ATOM 5 SD MET A 1 19.089 20.727 -9.817 1.00 0.00 ATOM 6 CE MET A 1 18.780 22.457 -10.163 1.00 0.00 ATOM 7 O MET A 1 17.296 17.015 -12.912 1.00 0.00 ATOM 8 C MET A 1 17.967 17.911 -13.418 1.00 0.00 ATOM 9 N THR A 2 19.143 17.726 -13.937 1.00 0.00 ATOM 10 CA THR A 2 19.787 16.410 -14.034 1.00 0.00 ATOM 11 CB THR A 2 21.210 16.521 -14.611 1.00 0.00 ATOM 12 CG2 THR A 2 21.872 15.153 -14.661 1.00 0.00 ATOM 13 OG1 THR A 2 21.149 17.054 -15.940 1.00 0.00 ATOM 14 O THR A 2 19.721 14.483 -12.573 1.00 0.00 ATOM 15 C THR A 2 19.932 15.703 -12.676 1.00 0.00 ATOM 16 N ASP A 3 20.295 16.470 -11.642 1.00 0.00 ATOM 17 CA ASP A 3 20.494 15.896 -10.321 1.00 0.00 ATOM 18 CB ASP A 3 21.002 16.960 -9.346 1.00 0.00 ATOM 19 CG ASP A 3 22.447 17.340 -9.602 1.00 0.00 ATOM 20 OD1 ASP A 3 23.124 16.624 -10.369 1.00 0.00 ATOM 21 OD2 ASP A 3 22.903 18.356 -9.035 1.00 0.00 ATOM 22 O ASP A 3 19.178 14.237 -9.168 1.00 0.00 ATOM 23 C ASP A 3 19.189 15.312 -9.773 1.00 0.00 ATOM 24 N TRP A 4 18.085 16.007 -9.989 1.00 0.00 ATOM 25 CA TRP A 4 16.781 15.537 -9.529 1.00 0.00 ATOM 26 CB TRP A 4 15.627 16.473 -9.718 1.00 0.00 ATOM 27 CG TRP A 4 15.714 17.353 -8.493 1.00 0.00 ATOM 28 CD1 TRP A 4 16.351 18.542 -8.322 1.00 0.00 ATOM 29 CD2 TRP A 4 15.126 17.053 -7.212 1.00 0.00 ATOM 30 CE2 TRP A 4 15.439 18.099 -6.320 1.00 0.00 ATOM 31 CE3 TRP A 4 14.364 15.979 -6.781 1.00 0.00 ATOM 32 NE1 TRP A 4 16.187 18.993 -7.026 1.00 0.00 ATOM 33 CZ2 TRP A 4 15.011 18.106 -4.982 1.00 0.00 ATOM 34 CZ3 TRP A 4 13.945 15.996 -5.461 1.00 0.00 ATOM 35 CH2 TRP A 4 14.264 17.043 -4.595 1.00 0.00 ATOM 36 O TRP A 4 15.870 13.307 -9.621 1.00 0.00 ATOM 37 C TRP A 4 16.393 14.238 -10.240 1.00 0.00 ATOM 38 N GLN A 5 16.591 14.195 -11.542 1.00 0.00 ATOM 39 CA GLN A 5 16.256 13.011 -12.327 1.00 0.00 ATOM 40 CB GLN A 5 16.512 13.243 -13.817 1.00 0.00 ATOM 41 CG GLN A 5 15.524 14.191 -14.478 1.00 0.00 ATOM 42 CD GLN A 5 15.886 14.500 -15.916 1.00 0.00 ATOM 43 OE1 GLN A 5 16.926 14.069 -16.412 1.00 0.00 ATOM 44 NE2 GLN A 5 15.024 15.251 -16.594 1.00 0.00 ATOM 45 O GLN A 5 16.559 10.714 -11.666 1.00 0.00 ATOM 46 C GLN A 5 17.093 11.809 -11.869 1.00 0.00 ATOM 47 N GLN A 6 18.396 12.021 -11.715 1.00 0.00 ATOM 48 CA GLN A 6 19.279 10.946 -11.265 1.00 0.00 ATOM 49 CB GLN A 6 20.734 11.414 -11.221 1.00 0.00 ATOM 50 CG GLN A 6 21.363 11.622 -12.590 1.00 0.00 ATOM 51 CD GLN A 6 22.764 12.193 -12.508 1.00 0.00 ATOM 52 OE1 GLN A 6 23.247 12.524 -11.425 1.00 0.00 ATOM 53 NE2 GLN A 6 23.421 12.312 -13.656 1.00 0.00 ATOM 54 O GLN A 6 18.796 9.201 -9.676 1.00 0.00 ATOM 55 C GLN A 6 18.857 10.415 -9.894 1.00 0.00 ATOM 56 N ALA A 7 18.555 11.330 -8.966 1.00 0.00 ATOM 57 CA ALA A 7 18.152 10.955 -7.613 1.00 0.00 ATOM 58 CB ALA A 7 18.003 12.170 -6.711 1.00 0.00 ATOM 59 O ALA A 7 16.671 9.188 -6.906 1.00 0.00 ATOM 60 C ALA A 7 16.824 10.194 -7.602 1.00 0.00 ATOM 61 N LEU A 8 15.865 10.681 -8.371 1.00 0.00 ATOM 62 CA LEU A 8 14.546 10.046 -8.439 1.00 0.00 ATOM 63 CB LEU A 8 13.566 10.974 -9.242 1.00 0.00 ATOM 64 CG LEU A 8 13.302 12.346 -8.708 1.00 0.00 ATOM 65 CD1 LEU A 8 12.493 13.159 -9.724 1.00 0.00 ATOM 66 CD2 LEU A 8 12.543 12.300 -7.375 1.00 0.00 ATOM 67 O LEU A 8 13.948 7.700 -8.551 1.00 0.00 ATOM 68 C LEU A 8 14.656 8.612 -8.995 1.00 0.00 ATOM 69 N ASP A 9 15.542 8.408 -9.968 1.00 0.00 ATOM 70 CA ASP A 9 15.764 7.065 -10.508 1.00 0.00 ATOM 71 CB ASP A 9 16.806 7.105 -11.628 1.00 0.00 ATOM 72 CG ASP A 9 16.269 7.731 -12.900 1.00 0.00 ATOM 73 OD1 ASP A 9 15.039 7.917 -12.997 1.00 0.00 ATOM 74 OD2 ASP A 9 17.080 8.035 -13.801 1.00 0.00 ATOM 75 O ASP A 9 15.778 5.013 -9.243 1.00 0.00 ATOM 76 C ASP A 9 16.258 6.133 -9.392 1.00 0.00 ATOM 77 N ARG A 10 17.209 6.613 -8.605 1.00 0.00 ATOM 78 CA ARG A 10 17.745 5.849 -7.500 1.00 0.00 ATOM 79 CB ARG A 10 18.866 6.625 -6.807 1.00 0.00 ATOM 80 CG ARG A 10 20.140 6.745 -7.627 1.00 0.00 ATOM 81 CD ARG A 10 21.181 7.588 -6.911 1.00 0.00 ATOM 82 NE ARG A 10 22.403 7.736 -7.699 1.00 0.00 ATOM 83 CZ ARG A 10 23.441 8.483 -7.336 1.00 0.00 ATOM 84 NH1 ARG A 10 24.509 8.558 -8.118 1.00 0.00 ATOM 85 NH2 ARG A 10 23.407 9.154 -6.193 1.00 0.00 ATOM 86 O ARG A 10 16.521 4.423 -5.998 1.00 0.00 ATOM 87 C ARG A 10 16.643 5.550 -6.473 1.00 0.00 ATOM 88 N HIS A 11 15.828 6.551 -6.163 1.00 0.00 ATOM 89 CA HIS A 11 14.754 6.399 -5.199 1.00 0.00 ATOM 90 CB HIS A 11 14.037 7.733 -4.982 1.00 0.00 ATOM 91 CG HIS A 11 12.912 7.661 -3.997 1.00 0.00 ATOM 92 CD2 HIS A 11 11.459 7.701 -4.073 1.00 0.00 ATOM 93 ND1 HIS A 11 13.119 7.524 -2.641 1.00 0.00 ATOM 94 CE1 HIS A 11 11.928 7.488 -2.016 1.00 0.00 ATOM 95 NE2 HIS A 11 10.928 7.595 -2.870 1.00 0.00 ATOM 96 O HIS A 11 13.279 4.483 -4.972 1.00 0.00 ATOM 97 C HIS A 11 13.742 5.362 -5.723 1.00 0.00 ATOM 98 N VAL A 12 13.448 5.433 -7.022 1.00 0.00 ATOM 99 CA VAL A 12 12.505 4.517 -7.634 1.00 0.00 ATOM 100 CB VAL A 12 12.201 4.899 -9.091 1.00 0.00 ATOM 101 CG1 VAL A 12 11.322 3.871 -9.760 1.00 0.00 ATOM 102 CG2 VAL A 12 11.578 6.302 -9.167 1.00 0.00 ATOM 103 O VAL A 12 12.307 2.126 -7.317 1.00 0.00 ATOM 104 C VAL A 12 13.040 3.083 -7.588 1.00 0.00 ATOM 105 N GLY A 13 14.317 2.907 -7.934 1.00 0.00 ATOM 106 CA GLY A 13 14.960 1.630 -7.940 1.00 0.00 ATOM 107 O GLY A 13 14.492 -0.175 -6.397 1.00 0.00 ATOM 108 C GLY A 13 14.868 1.004 -6.542 1.00 0.00 ATOM 109 N VAL A 14 15.262 1.757 -5.509 1.00 0.00 ATOM 110 CA VAL A 14 15.246 1.220 -4.130 1.00 0.00 ATOM 111 CB VAL A 14 15.752 2.262 -3.113 1.00 0.00 ATOM 112 CG1 VAL A 14 15.541 1.765 -1.692 1.00 0.00 ATOM 113 CG2 VAL A 14 17.236 2.525 -3.315 1.00 0.00 ATOM 114 O VAL A 14 13.636 -0.245 -3.130 1.00 0.00 ATOM 115 C VAL A 14 13.847 0.832 -3.706 1.00 0.00 ATOM 116 N GLY A 15 12.865 1.679 -3.983 1.00 0.00 ATOM 117 CA GLY A 15 11.493 1.414 -3.631 1.00 0.00 ATOM 118 O GLY A 15 10.320 -0.689 -3.680 1.00 0.00 ATOM 119 C GLY A 15 10.949 0.167 -4.312 1.00 0.00 ATOM 120 N VAL A 16 11.169 0.049 -5.602 1.00 0.00 ATOM 121 CA VAL A 16 10.690 -1.102 -6.344 1.00 0.00 ATOM 122 CB VAL A 16 10.881 -0.844 -7.887 1.00 0.00 ATOM 123 CG1 VAL A 16 10.481 -2.072 -8.709 1.00 0.00 ATOM 124 CG2 VAL A 16 9.996 0.326 -8.335 1.00 0.00 ATOM 125 O VAL A 16 10.753 -3.473 -5.858 1.00 0.00 ATOM 126 C VAL A 16 11.381 -2.398 -5.914 1.00 0.00 ATOM 127 N ARG A 17 12.687 -2.344 -5.705 1.00 0.00 ATOM 128 CA ARG A 17 13.425 -3.519 -5.277 1.00 0.00 ATOM 129 CB ARG A 17 14.915 -3.110 -5.187 1.00 0.00 ATOM 130 CG ARG A 17 15.909 -4.213 -5.342 1.00 0.00 ATOM 131 CD ARG A 17 16.624 -4.079 -6.688 1.00 0.00 ATOM 132 NE ARG A 17 16.870 -2.681 -7.063 1.00 0.00 ATOM 133 CZ ARG A 17 17.787 -1.899 -6.501 1.00 0.00 ATOM 134 NH1 ARG A 17 18.558 -2.369 -5.529 1.00 0.00 ATOM 135 NH2 ARG A 17 17.942 -0.647 -6.910 1.00 0.00 ATOM 136 O ARG A 17 12.729 -5.223 -3.695 1.00 0.00 ATOM 137 C ARG A 17 12.855 -4.006 -3.925 1.00 0.00 ATOM 138 N THR A 18 12.501 -3.130 -3.033 1.00 0.00 ATOM 139 CA THR A 18 11.983 -3.515 -1.738 1.00 0.00 ATOM 140 CB THR A 18 11.777 -2.291 -0.827 1.00 0.00 ATOM 141 CG2 THR A 18 11.196 -2.717 0.513 1.00 0.00 ATOM 142 OG1 THR A 18 13.035 -1.642 -0.601 1.00 0.00 ATOM 143 O THR A 18 10.380 -5.226 -1.208 1.00 0.00 ATOM 144 C THR A 18 10.643 -4.231 -1.885 1.00 0.00 ATOM 145 N THR A 19 9.785 -3.739 -2.769 1.00 0.00 ATOM 146 CA THR A 19 8.496 -4.381 -2.991 1.00 0.00 ATOM 147 CB THR A 19 7.646 -3.603 -4.013 1.00 0.00 ATOM 148 CG2 THR A 19 6.319 -4.309 -4.250 1.00 0.00 ATOM 149 OG1 THR A 19 7.388 -2.283 -3.517 1.00 0.00 ATOM 150 O THR A 19 8.115 -6.785 -3.108 1.00 0.00 ATOM 151 C THR A 19 8.757 -5.787 -3.514 1.00 0.00 ATOM 152 N ARG A 20 9.675 -5.889 -4.472 1.00 0.00 ATOM 153 CA ARG A 20 9.953 -7.167 -5.109 1.00 0.00 ATOM 154 CB ARG A 20 10.965 -6.907 -6.244 1.00 0.00 ATOM 155 CG ARG A 20 11.308 -8.462 -6.726 1.00 0.00 ATOM 156 CD ARG A 20 11.578 -8.218 -8.231 1.00 0.00 ATOM 157 NE ARG A 20 12.323 -9.355 -8.812 1.00 0.00 ATOM 158 CZ ARG A 20 12.081 -10.308 -9.691 1.00 0.00 ATOM 159 NH1 ARG A 20 10.857 -10.504 -10.134 1.00 0.00 ATOM 160 NH2 ARG A 20 12.959 -11.288 -9.968 1.00 0.00 ATOM 161 O ARG A 20 10.358 -9.447 -4.425 1.00 0.00 ATOM 162 C ARG A 20 10.445 -8.233 -4.145 1.00 0.00 ATOM 163 N ASP A 21 10.957 -7.824 -2.993 1.00 0.00 ATOM 164 CA ASP A 21 11.451 -8.784 -1.990 1.00 0.00 ATOM 165 CB ASP A 21 11.984 -8.047 -0.760 1.00 0.00 ATOM 166 CG ASP A 21 13.316 -7.372 -1.018 1.00 0.00 ATOM 167 OD1 ASP A 21 13.937 -7.662 -2.062 1.00 0.00 ATOM 168 OD2 ASP A 21 13.739 -6.552 -0.176 1.00 0.00 ATOM 169 O ASP A 21 10.617 -10.919 -1.193 1.00 0.00 ATOM 170 C ASP A 21 10.347 -9.747 -1.549 1.00 0.00 ATOM 171 N LEU A 22 9.087 -9.268 -1.592 1.00 0.00 ATOM 172 CA LEU A 22 7.958 -10.127 -1.244 1.00 0.00 ATOM 173 CB LEU A 22 6.694 -9.303 -1.107 1.00 0.00 ATOM 174 CG LEU A 22 6.680 -8.260 0.020 1.00 0.00 ATOM 175 CD1 LEU A 22 5.356 -7.528 0.009 1.00 0.00 ATOM 176 CD2 LEU A 22 6.930 -8.899 1.358 1.00 0.00 ATOM 177 O LEU A 22 7.549 -12.396 -1.835 1.00 0.00 ATOM 178 C LEU A 22 7.686 -11.231 -2.227 1.00 0.00 ATOM 179 N ILE A 23 7.705 -10.880 -3.505 1.00 0.00 ATOM 180 CA ILE A 23 7.538 -11.853 -4.566 1.00 0.00 ATOM 181 CB ILE A 23 7.487 -11.177 -5.949 1.00 0.00 ATOM 182 CG1 ILE A 23 6.211 -10.344 -6.088 1.00 0.00 ATOM 183 CG2 ILE A 23 7.503 -12.222 -7.054 1.00 0.00 ATOM 184 CD1 ILE A 23 6.202 -9.438 -7.300 1.00 0.00 ATOM 185 O ILE A 23 8.521 -14.021 -4.801 1.00 0.00 ATOM 186 C ILE A 23 8.707 -12.834 -4.557 1.00 0.00 ATOM 187 N ARG A 24 9.917 -12.354 -4.326 1.00 0.00 ATOM 188 CA ARG A 24 11.039 -13.261 -4.220 1.00 0.00 ATOM 189 CB ARG A 24 12.328 -12.488 -3.933 1.00 0.00 ATOM 190 CG ARG A 24 12.830 -11.662 -5.107 1.00 0.00 ATOM 191 CD ARG A 24 14.084 -10.887 -4.740 1.00 0.00 ATOM 192 NE ARG A 24 14.552 -10.049 -5.841 1.00 0.00 ATOM 193 CZ ARG A 24 15.595 -9.229 -5.766 1.00 0.00 ATOM 194 NH1 ARG A 24 15.948 -8.505 -6.820 1.00 0.00 ATOM 195 NH2 ARG A 24 16.283 -9.134 -4.636 1.00 0.00 ATOM 196 O ARG A 24 11.129 -15.441 -3.297 1.00 0.00 ATOM 197 C ARG A 24 10.837 -14.259 -3.105 1.00 0.00 ATOM 198 N LEU A 25 10.389 -13.799 -1.935 1.00 0.00 ATOM 199 CA LEU A 25 10.183 -14.690 -0.783 1.00 0.00 ATOM 200 CB LEU A 25 9.725 -13.891 0.438 1.00 0.00 ATOM 201 CG LEU A 25 10.755 -12.946 1.057 1.00 0.00 ATOM 202 CD1 LEU A 25 10.121 -12.098 2.149 1.00 0.00 ATOM 203 CD2 LEU A 25 11.903 -13.731 1.672 1.00 0.00 ATOM 204 O LEU A 25 9.218 -16.915 -0.657 1.00 0.00 ATOM 205 C LEU A 25 9.142 -15.761 -1.113 1.00 0.00 ATOM 206 N ILE A 26 8.169 -15.373 -1.930 1.00 0.00 ATOM 207 CA ILE A 26 7.194 -16.341 -2.435 1.00 0.00 ATOM 208 CB ILE A 26 6.029 -15.798 -3.168 1.00 0.00 ATOM 209 CG1 ILE A 26 6.043 -14.320 -3.578 1.00 0.00 ATOM 210 CG2 ILE A 26 4.992 -16.114 -2.105 1.00 0.00 ATOM 211 CD1 ILE A 26 4.903 -13.858 -4.507 1.00 0.00 ATOM 212 O ILE A 26 8.319 -16.584 -4.523 1.00 0.00 ATOM 213 C ILE A 26 7.835 -17.146 -3.558 1.00 0.00 ATOM 214 N GLN A 27 7.949 -18.479 -3.088 1.00 0.00 ATOM 215 CA GLN A 27 8.586 -19.303 -4.120 1.00 0.00 ATOM 216 CB GLN A 27 8.623 -20.780 -3.638 1.00 0.00 ATOM 217 CG GLN A 27 9.240 -20.982 -2.261 1.00 0.00 ATOM 218 CD GLN A 27 10.673 -20.482 -2.171 1.00 0.00 ATOM 219 OE1 GLN A 27 11.468 -20.702 -3.091 1.00 0.00 ATOM 220 NE2 GLN A 27 11.086 -19.789 -1.109 1.00 0.00 ATOM 221 O GLN A 27 6.842 -18.878 -5.716 1.00 0.00 ATOM 222 C GLN A 27 8.046 -19.061 -5.530 1.00 0.00 ATOM 223 N PRO A 28 8.917 -19.034 -6.503 1.00 0.00 ATOM 224 CA PRO A 28 8.508 -18.819 -7.890 1.00 0.00 ATOM 225 CB PRO A 28 9.782 -19.134 -8.666 1.00 0.00 ATOM 226 CG PRO A 28 10.845 -18.678 -7.731 1.00 0.00 ATOM 227 CD PRO A 28 10.373 -19.236 -6.415 1.00 0.00 ATOM 228 O PRO A 28 6.697 -19.541 -9.277 1.00 0.00 ATOM 229 C PRO A 28 7.498 -19.849 -8.402 1.00 0.00 ATOM 230 N GLU A 29 7.511 -21.067 -7.847 1.00 0.00 ATOM 231 CA GLU A 29 6.507 -22.069 -8.154 1.00 0.00 ATOM 232 CB GLU A 29 6.724 -23.327 -7.312 1.00 0.00 ATOM 233 CG GLU A 29 7.961 -24.125 -7.695 1.00 0.00 ATOM 234 CD GLU A 29 8.193 -25.313 -6.782 1.00 0.00 ATOM 235 OE1 GLU A 29 7.437 -25.463 -5.799 1.00 0.00 ATOM 236 OE2 GLU A 29 9.130 -26.094 -7.051 1.00 0.00 ATOM 237 O GLU A 29 4.139 -22.199 -8.446 1.00 0.00 ATOM 238 C GLU A 29 5.077 -21.627 -7.891 1.00 0.00 ATOM 239 N ASP A 30 4.905 -20.574 -7.062 1.00 0.00 ATOM 240 CA ASP A 30 3.561 -20.082 -6.758 1.00 0.00 ATOM 241 CB ASP A 30 3.498 -19.711 -5.275 1.00 0.00 ATOM 242 CG ASP A 30 3.719 -20.905 -4.366 1.00 0.00 ATOM 243 OD1 ASP A 30 3.074 -21.951 -4.592 1.00 0.00 ATOM 244 OD2 ASP A 30 4.536 -20.795 -3.429 1.00 0.00 ATOM 245 O ASP A 30 2.085 -18.302 -7.374 1.00 0.00 ATOM 246 C ASP A 30 3.172 -18.827 -7.557 1.00 0.00 ATOM 247 N TRP A 31 4.043 -18.343 -8.437 1.00 0.00 ATOM 248 CA TRP A 31 3.799 -17.035 -9.060 1.00 0.00 ATOM 249 CB TRP A 31 5.082 -16.496 -9.697 1.00 0.00 ATOM 250 CG TRP A 31 6.128 -16.104 -8.697 1.00 0.00 ATOM 251 CD1 TRP A 31 5.975 -16.008 -7.346 1.00 0.00 ATOM 252 CD2 TRP A 31 7.489 -15.756 -8.975 1.00 0.00 ATOM 253 CE2 TRP A 31 8.103 -15.459 -7.740 1.00 0.00 ATOM 254 CE3 TRP A 31 8.252 -15.665 -10.144 1.00 0.00 ATOM 255 NE1 TRP A 31 7.156 -15.619 -6.760 1.00 0.00 ATOM 256 CZ2 TRP A 31 9.440 -15.079 -7.644 1.00 0.00 ATOM 257 CZ3 TRP A 31 9.578 -15.289 -10.043 1.00 0.00 ATOM 258 CH2 TRP A 31 10.161 -14.999 -8.803 1.00 0.00 ATOM 259 O TRP A 31 2.406 -15.970 -10.659 1.00 0.00 ATOM 260 C TRP A 31 2.728 -17.048 -10.137 1.00 0.00 ATOM 261 N ASP A 32 2.232 -18.183 -10.549 1.00 0.00 ATOM 262 CA ASP A 32 1.225 -18.303 -11.596 1.00 0.00 ATOM 263 CB ASP A 32 1.584 -19.293 -12.706 1.00 0.00 ATOM 264 CG ASP A 32 1.777 -20.704 -12.188 1.00 0.00 ATOM 265 OD1 ASP A 32 1.667 -20.906 -10.960 1.00 0.00 ATOM 266 OD2 ASP A 32 2.038 -21.608 -13.009 1.00 0.00 ATOM 267 O ASP A 32 -1.060 -18.999 -11.759 1.00 0.00 ATOM 268 C ASP A 32 -0.103 -18.758 -11.005 1.00 0.00 ATOM 269 N LYS A 33 -0.164 -18.908 -9.682 1.00 0.00 ATOM 270 CA LYS A 33 -1.427 -19.248 -9.010 1.00 0.00 ATOM 271 CB LYS A 33 -1.554 -20.083 -8.063 1.00 0.00 ATOM 272 CG LYS A 33 -0.545 -20.316 -6.963 1.00 0.00 ATOM 273 CD LYS A 33 -1.035 -21.618 -6.306 1.00 0.00 ATOM 274 CE LYS A 33 -1.180 -21.456 -4.800 1.00 0.00 ATOM 275 NZ LYS A 33 -0.096 -22.278 -4.204 1.00 0.00 ATOM 276 O LYS A 33 -2.124 -17.111 -8.152 1.00 0.00 ATOM 277 C LYS A 33 -2.422 -18.115 -8.799 1.00 0.00 ATOM 278 N ARG A 34 -3.660 -18.263 -9.504 1.00 0.00 ATOM 279 CA ARG A 34 -4.621 -17.190 -9.371 1.00 0.00 ATOM 280 CB ARG A 34 -5.811 -17.506 -10.279 1.00 0.00 ATOM 281 CG ARG A 34 -6.849 -16.397 -10.349 1.00 0.00 ATOM 282 CD ARG A 34 -8.033 -16.803 -11.214 1.00 0.00 ATOM 283 NE ARG A 34 -7.660 -16.948 -12.619 1.00 0.00 ATOM 284 CZ ARG A 34 -7.606 -15.942 -13.485 1.00 0.00 ATOM 285 NH1 ARG A 34 -7.256 -16.168 -14.744 1.00 0.00 ATOM 286 NH2 ARG A 34 -7.902 -14.710 -13.091 1.00 0.00 ATOM 287 O ARG A 34 -5.825 -18.002 -7.434 1.00 0.00 ATOM 288 C ARG A 34 -5.072 -17.137 -7.912 1.00 0.00 ATOM 289 N PRO A 35 -4.490 -16.218 -7.151 1.00 0.00 ATOM 290 CA PRO A 35 -4.718 -16.162 -5.700 1.00 0.00 ATOM 291 CB PRO A 35 -3.812 -15.024 -5.226 1.00 0.00 ATOM 292 CG PRO A 35 -3.604 -14.182 -6.441 1.00 0.00 ATOM 293 CD PRO A 35 -3.587 -15.130 -7.607 1.00 0.00 ATOM 294 O PRO A 35 -6.881 -16.641 -4.682 1.00 0.00 ATOM 295 C PRO A 35 -6.197 -15.884 -5.410 1.00 0.00 ATOM 296 N ILE A 36 -6.678 -14.763 -5.964 1.00 0.00 ATOM 297 CA ILE A 36 -8.090 -14.366 -5.959 1.00 0.00 ATOM 298 CB ILE A 36 -8.366 -13.301 -4.881 1.00 0.00 ATOM 299 CG1 ILE A 36 -7.503 -12.060 -5.123 1.00 0.00 ATOM 300 CG2 ILE A 36 -8.044 -13.847 -3.498 1.00 0.00 ATOM 301 CD1 ILE A 36 -7.838 -10.897 -4.217 1.00 0.00 ATOM 302 O ILE A 36 -7.485 -13.330 -8.038 1.00 0.00 ATOM 303 C ILE A 36 -8.403 -13.792 -7.347 1.00 0.00 ATOM 304 N SER A 37 -9.676 -13.841 -7.764 1.00 0.00 ATOM 305 CA SER A 37 -9.987 -13.348 -9.101 1.00 0.00 ATOM 306 CB SER A 37 -11.437 -13.673 -9.468 1.00 0.00 ATOM 307 OG SER A 37 -12.344 -12.958 -8.648 1.00 0.00 ATOM 308 O SER A 37 -9.428 -11.398 -10.395 1.00 0.00 ATOM 309 C SER A 37 -9.779 -11.847 -9.298 1.00 0.00 ATOM 310 N GLY A 38 -9.990 -11.062 -8.170 1.00 0.00 ATOM 311 CA GLY A 38 -9.847 -9.615 -8.228 1.00 0.00 ATOM 312 O GLY A 38 -8.348 -7.872 -8.851 1.00 0.00 ATOM 313 C GLY A 38 -8.465 -9.064 -8.574 1.00 0.00 ATOM 314 N LYS A 39 -7.420 -9.903 -8.549 1.00 0.00 ATOM 315 CA LYS A 39 -6.042 -9.458 -8.768 1.00 0.00 ATOM 316 CB LYS A 39 -5.359 -9.335 -7.374 1.00 0.00 ATOM 317 CG LYS A 39 -5.941 -8.218 -6.459 1.00 0.00 ATOM 318 CD LYS A 39 -6.467 -7.012 -7.271 1.00 0.00 ATOM 319 CE LYS A 39 -6.495 -5.642 -6.645 1.00 0.00 ATOM 320 NZ LYS A 39 -7.267 -5.642 -5.437 1.00 0.00 ATOM 321 O LYS A 39 -5.767 -11.597 -9.847 1.00 0.00 ATOM 322 C LYS A 39 -5.324 -10.463 -9.702 1.00 0.00 ATOM 323 N ARG A 40 -4.238 -9.931 -10.296 1.00 0.00 ATOM 324 CA ARG A 40 -3.370 -10.727 -11.150 1.00 0.00 ATOM 325 CB ARG A 40 -2.323 -9.871 -11.865 1.00 0.00 ATOM 326 CG ARG A 40 -2.907 -8.839 -12.817 1.00 0.00 ATOM 327 CD ARG A 40 -3.512 -9.500 -14.044 1.00 0.00 ATOM 328 NE ARG A 40 -4.018 -8.518 -15.000 1.00 0.00 ATOM 329 CZ ARG A 40 -4.621 -8.830 -16.143 1.00 0.00 ATOM 330 NH1 ARG A 40 -5.049 -7.869 -16.951 1.00 0.00 ATOM 331 NH2 ARG A 40 -4.794 -10.102 -16.476 1.00 0.00 ATOM 332 O ARG A 40 -2.542 -11.646 -9.093 1.00 0.00 ATOM 333 C ARG A 40 -2.626 -11.739 -10.310 1.00 0.00 ATOM 334 N SER A 41 -2.074 -12.732 -10.985 1.00 0.00 ATOM 335 CA SER A 41 -1.130 -13.621 -10.359 1.00 0.00 ATOM 336 CB SER A 41 -0.650 -14.676 -11.356 1.00 0.00 ATOM 337 OG SER A 41 0.138 -14.092 -12.378 1.00 0.00 ATOM 338 O SER A 41 0.201 -11.666 -10.294 1.00 0.00 ATOM 339 C SER A 41 0.102 -12.826 -9.849 1.00 0.00 ATOM 340 N VAL A 42 0.907 -13.437 -9.054 1.00 0.00 ATOM 341 CA VAL A 42 2.107 -12.667 -8.577 1.00 0.00 ATOM 342 CB VAL A 42 2.953 -13.520 -7.613 1.00 0.00 ATOM 343 CG1 VAL A 42 4.295 -12.853 -7.351 1.00 0.00 ATOM 344 CG2 VAL A 42 2.234 -13.692 -6.284 1.00 0.00 ATOM 345 O VAL A 42 3.593 -11.221 -9.810 1.00 0.00 ATOM 346 C VAL A 42 3.003 -12.306 -9.760 1.00 0.00 ATOM 347 N TYR A 43 3.149 -13.207 -10.721 1.00 0.00 ATOM 348 CA TYR A 43 3.981 -12.900 -11.867 1.00 0.00 ATOM 349 CB TYR A 43 4.001 -14.075 -12.846 1.00 0.00 ATOM 350 CG TYR A 43 4.829 -13.826 -14.087 1.00 0.00 ATOM 351 CD1 TYR A 43 6.214 -13.921 -14.047 1.00 0.00 ATOM 352 CD2 TYR A 43 4.223 -13.497 -15.292 1.00 0.00 ATOM 353 CE1 TYR A 43 6.979 -13.695 -15.176 1.00 0.00 ATOM 354 CE2 TYR A 43 4.972 -13.268 -16.431 1.00 0.00 ATOM 355 CZ TYR A 43 6.361 -13.369 -16.364 1.00 0.00 ATOM 356 OH TYR A 43 7.121 -13.144 -17.489 1.00 0.00 ATOM 357 O TYR A 43 4.229 -10.794 -13.001 1.00 0.00 ATOM 358 C TYR A 43 3.444 -11.665 -12.589 1.00 0.00 ATOM 359 N GLU A 44 2.135 -11.598 -12.817 1.00 0.00 ATOM 360 CA GLU A 44 1.549 -10.422 -13.465 1.00 0.00 ATOM 361 CB GLU A 44 0.042 -10.605 -13.614 1.00 0.00 ATOM 362 CG GLU A 44 -0.340 -11.496 -14.784 1.00 0.00 ATOM 363 CD GLU A 44 -1.806 -11.871 -14.796 1.00 0.00 ATOM 364 OE1 GLU A 44 -2.373 -12.010 -15.904 1.00 0.00 ATOM 365 OE2 GLU A 44 -2.390 -12.041 -13.704 1.00 0.00 ATOM 366 O GLU A 44 2.063 -8.101 -13.194 1.00 0.00 ATOM 367 C GLU A 44 1.786 -9.168 -12.631 1.00 0.00 ATOM 368 N VAL A 45 1.675 -9.280 -11.308 1.00 0.00 ATOM 369 CA VAL A 45 1.996 -8.125 -10.433 1.00 0.00 ATOM 370 CB VAL A 45 1.846 -8.485 -8.943 1.00 0.00 ATOM 371 CG1 VAL A 45 2.364 -7.354 -8.067 1.00 0.00 ATOM 372 CG2 VAL A 45 0.385 -8.730 -8.598 1.00 0.00 ATOM 373 O VAL A 45 3.680 -6.429 -10.721 1.00 0.00 ATOM 374 C VAL A 45 3.430 -7.632 -10.600 1.00 0.00 ATOM 375 N ALA A 46 4.365 -8.561 -10.603 1.00 0.00 ATOM 376 CA ALA A 46 5.772 -8.206 -10.749 1.00 0.00 ATOM 377 CB ALA A 46 6.668 -9.428 -10.617 1.00 0.00 ATOM 378 O ALA A 46 6.768 -6.513 -12.186 1.00 0.00 ATOM 379 C ALA A 46 6.057 -7.535 -12.097 1.00 0.00 ATOM 380 N VAL A 47 5.502 -8.107 -13.157 1.00 0.00 ATOM 381 CA VAL A 47 5.647 -7.483 -14.483 1.00 0.00 ATOM 382 CB VAL A 47 4.881 -8.270 -15.564 1.00 0.00 ATOM 383 CG1 VAL A 47 4.882 -7.505 -16.879 1.00 0.00 ATOM 384 CG2 VAL A 47 5.531 -9.625 -15.796 1.00 0.00 ATOM 385 O VAL A 47 5.699 -5.132 -15.017 1.00 0.00 ATOM 386 C VAL A 47 5.092 -6.051 -14.452 1.00 0.00 ATOM 387 N HIS A 48 3.928 -5.879 -13.817 1.00 0.00 ATOM 388 CA HIS A 48 3.276 -4.570 -13.708 1.00 0.00 ATOM 389 CB HIS A 48 1.932 -4.699 -12.988 1.00 0.00 ATOM 390 CG HIS A 48 0.886 -5.412 -13.785 1.00 0.00 ATOM 391 CD2 HIS A 48 0.744 -5.834 -15.172 1.00 0.00 ATOM 392 ND1 HIS A 48 -0.301 -5.850 -13.235 1.00 0.00 ATOM 393 CE1 HIS A 48 -1.032 -6.450 -14.192 1.00 0.00 ATOM 394 NE2 HIS A 48 -0.411 -6.443 -15.356 1.00 0.00 ATOM 395 O HIS A 48 4.251 -2.413 -13.297 1.00 0.00 ATOM 396 C HIS A 48 4.125 -3.563 -12.913 1.00 0.00 ATOM 397 N LEU A 49 4.690 -4.021 -11.794 1.00 0.00 ATOM 398 CA LEU A 49 5.480 -3.141 -10.909 1.00 0.00 ATOM 399 CB LEU A 49 5.941 -3.905 -9.667 1.00 0.00 ATOM 400 CG LEU A 49 6.794 -3.121 -8.667 1.00 0.00 ATOM 401 CD1 LEU A 49 6.014 -1.943 -8.102 1.00 0.00 ATOM 402 CD2 LEU A 49 7.216 -4.010 -7.507 1.00 0.00 ATOM 403 O LEU A 49 7.054 -1.426 -11.651 1.00 0.00 ATOM 404 C LEU A 49 6.720 -2.630 -11.654 1.00 0.00 ATOM 405 N ALA A 50 7.411 -3.548 -12.314 1.00 0.00 ATOM 406 CA ALA A 50 8.586 -3.172 -13.108 1.00 0.00 ATOM 407 CB ALA A 50 9.178 -4.396 -13.787 1.00 0.00 ATOM 408 O ALA A 50 8.914 -1.220 -14.469 1.00 0.00 ATOM 409 C ALA A 50 8.226 -2.234 -14.262 1.00 0.00 ATOM 410 N VAL A 51 7.126 -2.502 -14.935 1.00 0.00 ATOM 411 CA VAL A 51 6.644 -1.634 -16.002 1.00 0.00 ATOM 412 CB VAL A 51 5.363 -2.197 -16.647 1.00 0.00 ATOM 413 CG1 VAL A 51 4.787 -1.201 -17.642 1.00 0.00 ATOM 414 CG2 VAL A 51 5.664 -3.493 -17.382 1.00 0.00 ATOM 415 O VAL A 51 6.738 0.763 -16.111 1.00 0.00 ATOM 416 C VAL A 51 6.304 -0.226 -15.515 1.00 0.00 ATOM 417 N LEU A 52 5.557 -0.129 -14.427 1.00 0.00 ATOM 418 CA LEU A 52 5.166 1.173 -13.891 1.00 0.00 ATOM 419 CB LEU A 52 4.126 1.003 -12.783 1.00 0.00 ATOM 420 CG LEU A 52 2.762 0.459 -13.209 1.00 0.00 ATOM 421 CD1 LEU A 52 1.892 0.173 -11.994 1.00 0.00 ATOM 422 CD2 LEU A 52 2.034 1.463 -14.089 1.00 0.00 ATOM 423 O LEU A 52 6.476 3.167 -13.589 1.00 0.00 ATOM 424 C LEU A 52 6.369 1.962 -13.362 1.00 0.00 ATOM 425 N LEU A 53 7.261 1.305 -12.631 1.00 0.00 ATOM 426 CA LEU A 53 8.439 2.012 -12.127 1.00 0.00 ATOM 427 CB LEU A 53 9.620 0.853 -12.000 1.00 0.00 ATOM 428 CG LEU A 53 10.937 1.067 -11.235 1.00 0.00 ATOM 429 CD1 LEU A 53 10.641 1.100 -9.762 1.00 0.00 ATOM 430 CD2 LEU A 53 11.948 -0.059 -11.581 1.00 0.00 ATOM 431 O LEU A 53 9.697 3.744 -13.250 1.00 0.00 ATOM 432 C LEU A 53 9.224 2.586 -13.287 1.00 0.00 ATOM 433 N GLU A 54 9.391 1.805 -14.351 1.00 0.00 ATOM 434 CA GLU A 54 10.129 2.296 -15.525 1.00 0.00 ATOM 435 CB GLU A 54 10.308 1.178 -16.553 1.00 0.00 ATOM 436 CG GLU A 54 11.268 0.082 -16.117 1.00 0.00 ATOM 437 CD GLU A 54 11.326 -1.068 -17.102 1.00 0.00 ATOM 438 OE1 GLU A 54 10.562 -1.042 -18.091 1.00 0.00 ATOM 439 OE2 GLU A 54 12.135 -1.995 -16.887 1.00 0.00 ATOM 440 O GLU A 54 10.053 4.371 -16.708 1.00 0.00 ATOM 441 C GLU A 54 9.406 3.446 -16.206 1.00 0.00 ATOM 442 N ALA A 55 8.070 3.399 -16.231 1.00 0.00 ATOM 443 CA ALA A 55 7.290 4.543 -16.760 1.00 0.00 ATOM 444 CB ALA A 55 5.800 4.254 -16.672 1.00 0.00 ATOM 445 O ALA A 55 7.789 6.905 -16.534 1.00 0.00 ATOM 446 C ALA A 55 7.578 5.819 -15.952 1.00 0.00 ATOM 447 N ASP A 56 7.597 5.724 -14.633 1.00 0.00 ATOM 448 CA ASP A 56 7.853 6.902 -13.818 1.00 0.00 ATOM 449 CB ASP A 56 7.645 6.586 -12.335 1.00 0.00 ATOM 450 CG ASP A 56 6.181 6.438 -11.971 1.00 0.00 ATOM 451 OD1 ASP A 56 5.323 6.820 -12.792 1.00 0.00 ATOM 452 OD2 ASP A 56 5.893 5.942 -10.861 1.00 0.00 ATOM 453 O ASP A 56 9.560 8.582 -14.083 1.00 0.00 ATOM 454 C ASP A 56 9.291 7.375 -14.011 1.00 0.00 ATOM 455 N LEU A 57 10.225 6.457 -14.142 1.00 0.00 ATOM 456 CA LEU A 57 11.621 6.803 -14.396 1.00 0.00 ATOM 457 CB LEU A 57 12.500 5.554 -14.423 1.00 0.00 ATOM 458 CG LEU A 57 12.465 4.706 -13.147 1.00 0.00 ATOM 459 CD1 LEU A 57 13.313 3.458 -13.360 1.00 0.00 ATOM 460 CD2 LEU A 57 12.978 5.525 -11.986 1.00 0.00 ATOM 461 O LEU A 57 12.506 8.536 -15.847 1.00 0.00 ATOM 462 C LEU A 57 11.749 7.553 -15.735 1.00 0.00 ATOM 463 N ARG A 58 11.085 7.041 -16.783 1.00 0.00 ATOM 464 CA ARG A 58 11.114 7.709 -18.087 1.00 0.00 ATOM 465 CB ARG A 58 10.320 6.905 -19.119 1.00 0.00 ATOM 466 CG ARG A 58 10.960 5.579 -19.499 1.00 0.00 ATOM 467 CD ARG A 58 10.197 4.900 -20.626 1.00 0.00 ATOM 468 NE ARG A 58 10.739 3.581 -20.936 1.00 0.00 ATOM 469 CZ ARG A 58 10.290 2.446 -20.411 1.00 0.00 ATOM 470 NH1 ARG A 58 10.845 1.292 -20.753 1.00 0.00 ATOM 471 NH2 ARG A 58 9.287 2.468 -19.544 1.00 0.00 ATOM 472 O ARG A 58 10.970 10.058 -18.600 1.00 0.00 ATOM 473 C ARG A 58 10.488 9.107 -17.957 1.00 0.00 ATOM 474 N ILE A 59 9.469 9.278 -17.126 1.00 0.00 ATOM 475 CA ILE A 59 8.915 10.613 -16.901 1.00 0.00 ATOM 476 CB ILE A 59 7.712 10.538 -15.953 1.00 0.00 ATOM 477 CG1 ILE A 59 6.590 9.723 -16.611 1.00 0.00 ATOM 478 CG2 ILE A 59 7.246 11.928 -15.561 1.00 0.00 ATOM 479 CD1 ILE A 59 5.421 9.437 -15.708 1.00 0.00 ATOM 480 O ILE A 59 10.117 12.717 -16.774 1.00 0.00 ATOM 481 C ILE A 59 9.969 11.576 -16.351 1.00 0.00 ATOM 482 N ALA A 60 10.666 11.125 -15.315 1.00 0.00 ATOM 483 CA ALA A 60 11.691 11.930 -14.700 1.00 0.00 ATOM 484 CB ALA A 60 12.284 11.190 -13.490 1.00 0.00 ATOM 485 O ALA A 60 13.277 13.415 -15.721 1.00 0.00 ATOM 486 C ALA A 60 12.788 12.286 -15.707 1.00 0.00 ATOM 487 N THR A 61 13.151 11.351 -16.582 1.00 0.00 ATOM 488 CA THR A 61 14.185 11.590 -17.585 1.00 0.00 ATOM 489 CB THR A 61 14.623 10.250 -18.202 1.00 0.00 ATOM 490 CG2 THR A 61 15.117 9.302 -17.120 1.00 0.00 ATOM 491 OG1 THR A 61 13.515 9.646 -18.878 1.00 0.00 ATOM 492 O THR A 61 14.626 13.199 -19.312 1.00 0.00 ATOM 493 C THR A 61 13.783 12.497 -18.740 1.00 0.00 ATOM 494 N GLY A 62 12.436 12.659 -19.099 1.00 0.00 ATOM 495 CA GLY A 62 11.989 13.346 -20.309 1.00 0.00 ATOM 496 O GLY A 62 10.291 14.869 -21.028 1.00 0.00 ATOM 497 C GLY A 62 10.863 14.343 -20.071 1.00 0.00 ATOM 498 N ALA A 63 10.350 14.542 -18.917 1.00 0.00 ATOM 499 CA ALA A 63 9.260 15.450 -18.562 1.00 0.00 ATOM 500 CB ALA A 63 9.373 16.744 -19.353 1.00 0.00 ATOM 501 O ALA A 63 6.938 15.868 -18.395 1.00 0.00 ATOM 502 C ALA A 63 7.803 15.082 -18.758 1.00 0.00 ATOM 503 N THR A 64 7.400 13.857 -19.312 1.00 0.00 ATOM 504 CA THR A 64 6.029 13.411 -19.375 1.00 0.00 ATOM 505 CB THR A 64 5.400 13.714 -20.747 1.00 0.00 ATOM 506 CG2 THR A 64 3.946 13.265 -20.778 1.00 0.00 ATOM 507 OG1 THR A 64 5.455 15.123 -21.002 1.00 0.00 ATOM 508 O THR A 64 6.742 11.136 -19.666 1.00 0.00 ATOM 509 C THR A 64 5.944 11.919 -19.143 1.00 0.00 ATOM 510 N ALA A 65 4.880 11.642 -18.493 1.00 0.00 ATOM 511 CA ALA A 65 4.543 10.268 -18.140 1.00 0.00 ATOM 512 CB ALA A 65 3.546 10.253 -17.014 1.00 0.00 ATOM 513 O ALA A 65 2.947 10.418 -19.922 1.00 0.00 ATOM 514 C ALA A 65 3.812 9.744 -19.365 1.00 0.00 ATOM 515 N ASP A 66 4.189 8.540 -19.793 1.00 0.00 ATOM 516 CA ASP A 66 3.533 7.904 -20.921 1.00 0.00 ATOM 517 CB ASP A 66 4.517 6.937 -21.582 1.00 0.00 ATOM 518 CG ASP A 66 4.018 6.419 -22.917 1.00 0.00 ATOM 519 OD1 ASP A 66 2.946 6.876 -23.368 1.00 0.00 ATOM 520 OD2 ASP A 66 4.699 5.558 -23.512 1.00 0.00 ATOM 521 O ASP A 66 2.227 5.937 -20.365 1.00 0.00 ATOM 522 C ASP A 66 2.282 7.158 -20.508 1.00 0.00 ATOM 523 N GLU A 67 1.226 7.966 -20.262 1.00 0.00 ATOM 524 CA GLU A 67 -0.062 7.455 -19.835 1.00 0.00 ATOM 525 CB GLU A 67 -0.983 8.654 -19.469 1.00 0.00 ATOM 526 CG GLU A 67 -1.945 8.430 -18.315 1.00 0.00 ATOM 527 CD GLU A 67 -3.358 8.042 -18.773 1.00 0.00 ATOM 528 OE1 GLU A 67 -3.471 7.056 -19.539 1.00 0.00 ATOM 529 OE2 GLU A 67 -4.345 8.725 -18.371 1.00 0.00 ATOM 530 O GLU A 67 -1.359 5.530 -20.478 1.00 0.00 ATOM 531 C GLU A 67 -0.647 6.475 -20.849 1.00 0.00 ATOM 532 N MET A 68 -0.296 6.694 -22.117 1.00 0.00 ATOM 533 CA MET A 68 -0.790 5.815 -23.169 1.00 0.00 ATOM 534 CB MET A 68 -0.045 6.573 -24.557 1.00 0.00 ATOM 535 CG MET A 68 1.135 5.693 -24.868 1.00 0.00 ATOM 536 SD MET A 68 1.930 6.194 -26.388 1.00 0.00 ATOM 537 CE MET A 68 0.770 5.658 -27.607 1.00 0.00 ATOM 538 O MET A 68 -0.851 3.462 -23.632 1.00 0.00 ATOM 539 C MET A 68 -0.311 4.358 -23.000 1.00 0.00 ATOM 540 N ALA A 69 0.717 4.138 -22.188 1.00 0.00 ATOM 541 CA ALA A 69 1.202 2.803 -21.862 1.00 0.00 ATOM 542 CB ALA A 69 2.717 2.805 -21.731 1.00 0.00 ATOM 543 O ALA A 69 0.963 1.093 -20.242 1.00 0.00 ATOM 544 C ALA A 69 0.638 2.254 -20.548 1.00 0.00 ATOM 545 N GLN A 70 -0.089 3.004 -19.596 1.00 0.00 ATOM 546 CA GLN A 70 -0.600 2.460 -18.319 1.00 0.00 ATOM 547 CB GLN A 70 -0.832 3.588 -17.311 1.00 0.00 ATOM 548 CG GLN A 70 -1.270 3.111 -15.936 1.00 0.00 ATOM 549 CD GLN A 70 -1.476 4.255 -14.961 1.00 0.00 ATOM 550 OE1 GLN A 70 -1.055 5.382 -15.217 1.00 0.00 ATOM 551 NE2 GLN A 70 -2.125 3.965 -13.840 1.00 0.00 ATOM 552 O GLN A 70 -2.977 2.321 -18.602 1.00 0.00 ATOM 553 C GLN A 70 -1.921 1.706 -18.407 1.00 0.00 ATOM 554 N PHE A 71 -1.869 0.394 -18.183 1.00 0.00 ATOM 555 CA PHE A 71 -3.068 -0.430 -18.159 1.00 0.00 ATOM 556 CB PHE A 71 -3.831 -0.261 -16.887 1.00 0.00 ATOM 557 CG PHE A 71 -3.026 -0.679 -15.685 1.00 0.00 ATOM 558 CD1 PHE A 71 -2.206 -1.805 -15.737 1.00 0.00 ATOM 559 CD2 PHE A 71 -3.077 0.056 -14.504 1.00 0.00 ATOM 560 CE1 PHE A 71 -1.445 -2.194 -14.630 1.00 0.00 ATOM 561 CE2 PHE A 71 -2.321 -0.324 -13.390 1.00 0.00 ATOM 562 CZ PHE A 71 -1.503 -1.453 -13.455 1.00 0.00 ATOM 563 O PHE A 71 -5.054 -0.558 -19.514 1.00 0.00 ATOM 564 C PHE A 71 -3.821 -0.435 -19.482 1.00 0.00 ATOM 565 N TYR A 72 -3.069 -0.289 -20.572 1.00 0.00 ATOM 566 CA TYR A 72 -3.618 -0.299 -21.926 1.00 0.00 ATOM 567 CB TYR A 72 -3.167 0.944 -22.696 1.00 0.00 ATOM 568 CG TYR A 72 -3.600 2.248 -22.063 1.00 0.00 ATOM 569 CD1 TYR A 72 -2.683 3.053 -21.399 1.00 0.00 ATOM 570 CD2 TYR A 72 -4.921 2.667 -22.130 1.00 0.00 ATOM 571 CE1 TYR A 72 -3.070 4.246 -20.816 1.00 0.00 ATOM 572 CE2 TYR A 72 -5.326 3.857 -21.553 1.00 0.00 ATOM 573 CZ TYR A 72 -4.385 4.647 -20.894 1.00 0.00 ATOM 574 OH TYR A 72 -4.772 5.833 -20.315 1.00 0.00 ATOM 575 O TYR A 72 -3.557 -1.707 -23.868 1.00 0.00 ATOM 576 C TYR A 72 -3.153 -1.527 -22.712 1.00 0.00 ATOM 577 N ALA A 73 -2.209 -2.274 -22.137 1.00 0.00 ATOM 578 CA ALA A 73 -1.518 -3.341 -22.837 1.00 0.00 ATOM 579 CB ALA A 73 -2.493 -4.113 -23.713 1.00 0.00 ATOM 580 O ALA A 73 0.123 -3.663 -24.534 1.00 0.00 ATOM 581 C ALA A 73 -0.404 -2.862 -23.758 1.00 0.00 ATOM 582 N VAL A 74 -0.072 -1.567 -23.706 1.00 0.00 ATOM 583 CA VAL A 74 1.060 -1.002 -24.458 1.00 0.00 ATOM 584 CB VAL A 74 0.746 0.412 -24.981 1.00 0.00 ATOM 585 CG1 VAL A 74 1.948 0.987 -25.714 1.00 0.00 ATOM 586 CG2 VAL A 74 -0.432 0.375 -25.942 1.00 0.00 ATOM 587 O VAL A 74 2.324 0.049 -22.728 1.00 0.00 ATOM 588 C VAL A 74 2.356 -0.698 -23.706 1.00 0.00 ATOM 589 N PRO A 75 3.512 -1.218 -24.285 1.00 0.00 ATOM 590 CA PRO A 75 4.818 -0.919 -23.690 1.00 0.00 ATOM 591 CB PRO A 75 5.635 -2.178 -24.010 1.00 0.00 ATOM 592 CG PRO A 75 5.069 -2.671 -25.336 1.00 0.00 ATOM 593 CD PRO A 75 3.623 -2.229 -25.363 1.00 0.00 ATOM 594 O PRO A 75 5.284 0.596 -25.489 1.00 0.00 ATOM 595 C PRO A 75 5.509 0.274 -24.326 1.00 0.00 ATOM 596 N VAL A 76 6.370 0.912 -23.538 1.00 0.00 ATOM 597 CA VAL A 76 7.211 2.013 -23.994 1.00 0.00 ATOM 598 CB VAL A 76 7.032 3.276 -23.099 1.00 0.00 ATOM 599 CG1 VAL A 76 7.970 4.375 -23.548 1.00 0.00 ATOM 600 CG2 VAL A 76 5.596 3.757 -23.139 1.00 0.00 ATOM 601 O VAL A 76 9.287 1.264 -23.008 1.00 0.00 ATOM 602 C VAL A 76 8.674 1.631 -24.009 1.00 0.00 ATOM 603 N LEU A 77 9.314 1.698 -25.276 1.00 0.00 ATOM 604 CA LEU A 77 10.717 1.358 -25.406 1.00 0.00 ATOM 605 CB LEU A 77 11.000 0.998 -26.866 1.00 0.00 ATOM 606 CG LEU A 77 10.186 -0.161 -27.447 1.00 0.00 ATOM 607 CD1 LEU A 77 10.508 -0.359 -28.920 1.00 0.00 ATOM 608 CD2 LEU A 77 10.496 -1.457 -26.714 1.00 0.00 ATOM 609 O LEU A 77 11.126 3.678 -25.031 1.00 0.00 ATOM 610 C LEU A 77 11.591 2.536 -25.015 1.00 0.00 ATOM 611 N PRO A 78 12.860 2.283 -24.700 1.00 0.00 ATOM 612 CA PRO A 78 13.816 3.361 -24.458 1.00 0.00 ATOM 613 CB PRO A 78 15.151 2.638 -24.264 1.00 0.00 ATOM 614 CG PRO A 78 14.774 1.291 -23.746 1.00 0.00 ATOM 615 CD PRO A 78 13.520 0.898 -24.478 1.00 0.00 ATOM 616 O PRO A 78 14.037 5.560 -25.377 1.00 0.00 ATOM 617 C PRO A 78 13.909 4.361 -25.591 1.00 0.00 ATOM 618 N GLU A 79 13.797 3.901 -26.860 1.00 0.00 ATOM 619 CA GLU A 79 13.780 4.790 -28.019 1.00 0.00 ATOM 620 CB GLU A 79 13.439 4.071 -29.268 1.00 0.00 ATOM 621 CG GLU A 79 14.497 3.063 -29.726 1.00 0.00 ATOM 622 CD GLU A 79 14.688 1.870 -28.786 1.00 0.00 ATOM 623 OE1 GLU A 79 13.700 1.280 -28.308 1.00 0.00 ATOM 624 OE2 GLU A 79 15.858 1.511 -28.520 1.00 0.00 ATOM 625 O GLU A 79 12.732 6.908 -28.251 1.00 0.00 ATOM 626 C GLU A 79 12.602 5.741 -27.938 1.00 0.00 ATOM 627 N GLN A 80 11.438 5.226 -27.559 1.00 0.00 ATOM 628 CA GLN A 80 10.236 6.056 -27.464 1.00 0.00 ATOM 629 CB GLN A 80 9.007 5.189 -27.184 1.00 0.00 ATOM 630 CG GLN A 80 8.590 4.307 -28.349 1.00 0.00 ATOM 631 CD GLN A 80 7.409 3.418 -28.015 1.00 0.00 ATOM 632 OE1 GLN A 80 6.914 3.425 -26.888 1.00 0.00 ATOM 633 NE2 GLN A 80 6.953 2.647 -28.995 1.00 0.00 ATOM 634 O GLN A 80 9.858 8.211 -26.484 1.00 0.00 ATOM 635 C GLN A 80 10.348 7.084 -26.342 1.00 0.00 ATOM 636 N LEU A 81 11.013 6.711 -25.246 1.00 0.00 ATOM 637 CA LEU A 81 11.255 7.637 -24.147 1.00 0.00 ATOM 638 CB LEU A 81 12.184 7.010 -23.098 1.00 0.00 ATOM 639 CG LEU A 81 12.679 7.945 -21.987 1.00 0.00 ATOM 640 CD1 LEU A 81 11.489 8.550 -21.239 1.00 0.00 ATOM 641 CD2 LEU A 81 13.579 7.177 -21.032 1.00 0.00 ATOM 642 O LEU A 81 11.572 10.003 -24.325 1.00 0.00 ATOM 643 C LEU A 81 11.951 8.885 -24.671 1.00 0.00 ATOM 644 N VAL A 82 12.998 8.696 -25.466 1.00 0.00 ATOM 645 CA VAL A 82 13.742 9.823 -26.023 1.00 0.00 ATOM 646 CB VAL A 82 14.928 9.348 -26.881 1.00 0.00 ATOM 647 CG1 VAL A 82 15.562 10.522 -27.612 1.00 0.00 ATOM 648 CG2 VAL A 82 15.990 8.695 -26.008 1.00 0.00 ATOM 649 O VAL A 82 12.891 11.905 -26.835 1.00 0.00 ATOM 650 C VAL A 82 12.847 10.678 -26.919 1.00 0.00 ATOM 651 N ASP A 83 12.041 10.067 -27.788 1.00 0.00 ATOM 652 CA ASP A 83 11.119 10.851 -28.598 1.00 0.00 ATOM 653 CB ASP A 83 10.256 9.932 -29.464 1.00 0.00 ATOM 654 CG ASP A 83 11.028 9.323 -30.618 1.00 0.00 ATOM 655 OD1 ASP A 83 12.156 9.788 -30.889 1.00 0.00 ATOM 656 OD2 ASP A 83 10.506 8.382 -31.251 1.00 0.00 ATOM 657 O ASP A 83 9.956 12.861 -27.962 1.00 0.00 ATOM 658 C ASP A 83 10.199 11.688 -27.693 1.00 0.00 ATOM 659 N ARG A 84 9.673 11.089 -26.643 1.00 0.00 ATOM 660 CA ARG A 84 8.721 11.788 -25.778 1.00 0.00 ATOM 661 CB ARG A 84 8.096 10.816 -24.776 1.00 0.00 ATOM 662 CG ARG A 84 7.118 9.832 -25.394 1.00 0.00 ATOM 663 CD ARG A 84 6.549 8.887 -24.348 1.00 0.00 ATOM 664 NE ARG A 84 5.704 9.584 -23.382 1.00 0.00 ATOM 665 CZ ARG A 84 4.431 9.903 -23.595 1.00 0.00 ATOM 666 NH1 ARG A 84 3.741 10.539 -22.658 1.00 0.00 ATOM 667 NH2 ARG A 84 3.852 9.587 -24.745 1.00 0.00 ATOM 668 O ARG A 84 8.801 13.980 -24.804 1.00 0.00 ATOM 669 C ARG A 84 9.403 12.909 -24.995 1.00 0.00 ATOM 670 N LEU A 85 10.650 12.727 -24.579 1.00 0.00 ATOM 671 CA LEU A 85 11.405 13.797 -23.937 1.00 0.00 ATOM 672 CB LEU A 85 12.809 13.228 -23.513 1.00 0.00 ATOM 673 CG LEU A 85 13.825 14.258 -22.998 1.00 0.00 ATOM 674 CD1 LEU A 85 13.252 15.011 -21.799 1.00 0.00 ATOM 675 CD2 LEU A 85 15.129 13.546 -22.625 1.00 0.00 ATOM 676 O LEU A 85 11.405 16.159 -24.394 1.00 0.00 ATOM 677 C LEU A 85 11.540 15.009 -24.840 1.00 0.00 ATOM 678 N ASP A 86 11.760 14.764 -26.130 1.00 0.00 ATOM 679 CA ASP A 86 11.920 15.854 -27.096 1.00 0.00 ATOM 680 CB ASP A 86 12.287 15.301 -28.474 1.00 0.00 ATOM 681 CG ASP A 86 13.714 14.794 -28.537 1.00 0.00 ATOM 682 OD1 ASP A 86 14.488 15.082 -27.601 1.00 0.00 ATOM 683 OD2 ASP A 86 14.058 14.107 -29.524 1.00 0.00 ATOM 684 O ASP A 86 10.610 17.850 -27.258 1.00 0.00 ATOM 685 C ASP A 86 10.604 16.618 -27.196 1.00 0.00 ATOM 686 N GLN A 87 9.450 15.912 -27.212 1.00 0.00 ATOM 687 CA GLN A 87 8.154 16.581 -27.312 1.00 0.00 ATOM 688 CB GLN A 87 7.034 15.554 -27.493 1.00 0.00 ATOM 689 CG GLN A 87 7.042 14.860 -28.846 1.00 0.00 ATOM 690 CD GLN A 87 5.990 13.773 -28.949 1.00 0.00 ATOM 691 OE1 GLN A 87 5.309 13.459 -27.972 1.00 0.00 ATOM 692 NE2 GLN A 87 5.854 13.193 -30.136 1.00 0.00 ATOM 693 O GLN A 87 7.291 18.495 -26.127 1.00 0.00 ATOM 694 C GLN A 87 7.867 17.405 -26.039 1.00 0.00 ATOM 695 N SER A 88 8.203 16.878 -24.867 1.00 0.00 ATOM 696 CA SER A 88 7.983 17.611 -23.630 1.00 0.00 ATOM 697 CB SER A 88 8.387 16.760 -22.423 1.00 0.00 ATOM 698 OG SER A 88 7.548 15.624 -22.297 1.00 0.00 ATOM 699 O SER A 88 8.307 19.952 -23.183 1.00 0.00 ATOM 700 C SER A 88 8.798 18.903 -23.603 1.00 0.00 ATOM 701 N TRP A 89 10.031 18.868 -24.095 1.00 0.00 ATOM 702 CA TRP A 89 10.819 20.104 -24.119 1.00 0.00 ATOM 703 CB TRP A 89 12.257 19.815 -24.553 1.00 0.00 ATOM 704 CG TRP A 89 13.119 21.038 -24.628 1.00 0.00 ATOM 705 CD1 TRP A 89 13.601 21.632 -25.758 1.00 0.00 ATOM 706 CD2 TRP A 89 13.600 21.817 -23.526 1.00 0.00 ATOM 707 CE2 TRP A 89 14.368 22.869 -24.064 1.00 0.00 ATOM 708 CE3 TRP A 89 13.457 21.729 -22.138 1.00 0.00 ATOM 709 NE1 TRP A 89 14.353 22.734 -25.430 1.00 0.00 ATOM 710 CZ2 TRP A 89 14.991 23.824 -23.264 1.00 0.00 ATOM 711 CZ3 TRP A 89 14.076 22.679 -21.349 1.00 0.00 ATOM 712 CH2 TRP A 89 14.834 23.713 -21.908 1.00 0.00 ATOM 713 O TRP A 89 10.130 22.326 -24.839 1.00 0.00 ATOM 714 C TRP A 89 10.203 21.114 -25.105 1.00 0.00 ATOM 715 N GLN A 90 9.751 20.613 -26.253 1.00 0.00 ATOM 716 CA GLN A 90 9.046 21.452 -27.207 1.00 0.00 ATOM 717 CB GLN A 90 8.608 20.630 -28.422 1.00 0.00 ATOM 718 CG GLN A 90 9.752 20.192 -29.321 1.00 0.00 ATOM 719 CD GLN A 90 9.293 19.288 -30.448 1.00 0.00 ATOM 720 OE1 GLN A 90 8.126 18.907 -30.515 1.00 0.00 ATOM 721 NE2 GLN A 90 10.214 18.942 -31.339 1.00 0.00 ATOM 722 O GLN A 90 7.494 23.242 -26.824 1.00 0.00 ATOM 723 C GLN A 90 7.788 22.071 -26.595 1.00 0.00 ATOM 724 N TYR A 91 7.099 21.300 -25.788 1.00 0.00 ATOM 725 CA TYR A 91 5.887 21.785 -25.129 1.00 0.00 ATOM 726 CB TYR A 91 5.258 20.678 -24.281 1.00 0.00 ATOM 727 CG TYR A 91 4.022 21.112 -23.526 1.00 0.00 ATOM 728 CD1 TYR A 91 2.783 21.152 -24.153 1.00 0.00 ATOM 729 CD2 TYR A 91 4.098 21.482 -22.189 1.00 0.00 ATOM 730 CE1 TYR A 91 1.648 21.547 -23.470 1.00 0.00 ATOM 731 CE2 TYR A 91 2.974 21.881 -21.491 1.00 0.00 ATOM 732 CZ TYR A 91 1.742 21.911 -22.144 1.00 0.00 ATOM 733 OH TYR A 91 0.614 22.305 -21.462 1.00 0.00 ATOM 734 O TYR A 91 5.443 23.954 -24.206 1.00 0.00 ATOM 735 C TYR A 91 6.175 22.953 -24.218 1.00 0.00 ATOM 736 N TYR A 92 7.197 22.813 -23.397 1.00 0.00 ATOM 737 CA TYR A 92 7.537 23.900 -22.525 1.00 0.00 ATOM 738 CB TYR A 92 8.749 23.494 -21.682 1.00 0.00 ATOM 739 CG TYR A 92 8.440 22.457 -20.626 1.00 0.00 ATOM 740 CD1 TYR A 92 7.128 22.164 -20.278 1.00 0.00 ATOM 741 CD2 TYR A 92 9.463 21.774 -19.980 1.00 0.00 ATOM 742 CE1 TYR A 92 6.838 21.217 -19.314 1.00 0.00 ATOM 743 CE2 TYR A 92 9.191 20.825 -19.013 1.00 0.00 ATOM 744 CZ TYR A 92 7.865 20.551 -18.684 1.00 0.00 ATOM 745 OH TYR A 92 7.578 19.607 -17.724 1.00 0.00 ATOM 746 O TYR A 92 7.584 26.266 -22.944 1.00 0.00 ATOM 747 C TYR A 92 7.923 25.144 -23.318 1.00 0.00 ATOM 748 N GLN A 93 8.675 24.917 -24.397 1.00 0.00 ATOM 749 CA GLN A 93 9.120 26.004 -25.259 1.00 0.00 ATOM 750 CB GLN A 93 10.097 25.519 -26.354 1.00 0.00 ATOM 751 CG GLN A 93 10.489 26.572 -27.406 1.00 0.00 ATOM 752 CD GLN A 93 11.555 26.092 -28.429 1.00 0.00 ATOM 753 OE1 GLN A 93 11.492 24.967 -28.973 1.00 0.00 ATOM 754 NE2 GLN A 93 12.521 26.979 -28.722 1.00 0.00 ATOM 755 O GLN A 93 8.031 28.044 -25.849 1.00 0.00 ATOM 756 C GLN A 93 7.956 26.823 -25.801 1.00 0.00 ATOM 757 N ASP A 94 6.888 26.095 -26.243 1.00 0.00 ATOM 758 CA ASP A 94 5.755 26.770 -26.872 1.00 0.00 ATOM 759 CB ASP A 94 5.059 25.801 -27.831 1.00 0.00 ATOM 760 CG ASP A 94 5.939 25.408 -29.002 1.00 0.00 ATOM 761 OD1 ASP A 94 6.515 26.312 -29.642 1.00 0.00 ATOM 762 OD2 ASP A 94 6.053 24.195 -29.277 1.00 0.00 ATOM 763 O ASP A 94 3.877 28.138 -26.262 1.00 0.00 ATOM 764 C ASP A 94 4.672 27.275 -25.905 1.00 0.00 ATOM 765 N ARG A 95 4.637 26.736 -24.691 1.00 0.00 ATOM 766 CA ARG A 95 3.553 27.032 -23.776 1.00 0.00 ATOM 767 CB ARG A 95 2.880 25.737 -23.317 1.00 0.00 ATOM 768 CG ARG A 95 2.336 24.885 -24.451 1.00 0.00 ATOM 769 CD ARG A 95 1.261 25.626 -25.231 1.00 0.00 ATOM 770 NE ARG A 95 0.100 25.938 -24.401 1.00 0.00 ATOM 771 CZ ARG A 95 -0.851 25.063 -24.090 1.00 0.00 ATOM 772 NH1 ARG A 95 -1.871 25.437 -23.329 1.00 0.00 ATOM 773 NH2 ARG A 95 -0.781 23.818 -24.538 1.00 0.00 ATOM 774 O ARG A 95 3.397 28.899 -22.286 1.00 0.00 ATOM 775 C ARG A 95 4.081 27.951 -22.680 1.00 0.00 ATOM 776 N LEU A 96 5.272 27.700 -22.158 1.00 0.00 ATOM 777 CA LEU A 96 5.798 28.482 -21.042 1.00 0.00 ATOM 778 CB LEU A 96 6.458 27.509 -20.064 1.00 0.00 ATOM 779 CG LEU A 96 5.553 26.432 -19.464 1.00 0.00 ATOM 780 CD1 LEU A 96 6.358 25.470 -18.604 1.00 0.00 ATOM 781 CD2 LEU A 96 4.475 27.060 -18.595 1.00 0.00 ATOM 782 O LEU A 96 6.531 30.663 -21.629 1.00 0.00 ATOM 783 C LEU A 96 6.827 29.489 -21.540 1.00 0.00 ATOM 784 N MET A 97 8.032 28.917 -22.113 1.00 0.00 ATOM 785 CA MET A 97 9.098 29.791 -22.628 1.00 0.00 ATOM 786 CB MET A 97 9.496 30.827 -21.576 1.00 0.00 ATOM 787 CG MET A 97 10.485 31.869 -22.075 1.00 0.00 ATOM 788 SD MET A 97 10.960 33.047 -20.795 1.00 0.00 ATOM 789 CE MET A 97 9.455 34.005 -20.641 1.00 0.00 ATOM 790 O MET A 97 10.560 27.905 -22.411 1.00 0.00 ATOM 791 C MET A 97 10.335 28.977 -22.976 1.00 0.00 ATOM 792 N ALA A 98 11.160 29.508 -23.866 1.00 0.00 ATOM 793 CA ALA A 98 12.428 28.860 -24.175 1.00 0.00 ATOM 794 CB ALA A 98 13.169 29.581 -25.287 1.00 0.00 ATOM 795 O ALA A 98 13.927 27.709 -22.694 1.00 0.00 ATOM 796 C ALA A 98 13.300 28.751 -22.924 1.00 0.00 ATOM 797 N ASP A 99 13.300 29.782 -22.077 1.00 0.00 ATOM 798 CA ASP A 99 14.075 29.726 -20.858 1.00 0.00 ATOM 799 CB ASP A 99 14.086 31.111 -20.224 1.00 0.00 ATOM 800 CG ASP A 99 14.860 32.124 -21.043 1.00 0.00 ATOM 801 OD1 ASP A 99 15.709 31.721 -21.862 1.00 0.00 ATOM 802 OD2 ASP A 99 14.652 33.342 -20.869 1.00 0.00 ATOM 803 O ASP A 99 14.320 27.964 -19.261 1.00 0.00 ATOM 804 C ASP A 99 13.540 28.681 -19.889 1.00 0.00 ATOM 805 N PHE A 100 12.216 28.558 -19.816 1.00 0.00 ATOM 806 CA PHE A 100 11.661 27.500 -18.961 1.00 0.00 ATOM 807 CB PHE A 100 10.144 27.621 -18.933 1.00 0.00 ATOM 808 CG PHE A 100 9.492 26.517 -18.186 1.00 0.00 ATOM 809 CD1 PHE A 100 9.475 26.528 -16.790 1.00 0.00 ATOM 810 CD2 PHE A 100 9.002 25.401 -18.857 1.00 0.00 ATOM 811 CE1 PHE A 100 8.987 25.432 -16.071 1.00 0.00 ATOM 812 CE2 PHE A 100 8.513 24.300 -18.151 1.00 0.00 ATOM 813 CZ PHE A 100 8.508 24.311 -16.756 1.00 0.00 ATOM 814 O PHE A 100 12.475 25.262 -18.711 1.00 0.00 ATOM 815 C PHE A 100 12.050 26.122 -19.477 1.00 0.00 ATOM 816 N SER A 101 12.135 24.795 -17.093 1.00 0.00 ATOM 817 CA SER A 101 12.457 23.372 -17.170 1.00 0.00 ATOM 818 CB SER A 101 13.950 23.174 -17.429 1.00 0.00 ATOM 819 OG SER A 101 14.730 23.797 -16.422 1.00 0.00 ATOM 820 O SER A 101 12.834 21.637 -15.554 1.00 0.00 ATOM 821 C SER A 101 12.119 22.574 -15.915 1.00 0.00 ATOM 822 N THR A 102 11.045 22.961 -15.238 1.00 0.00 ATOM 823 CA THR A 102 10.616 22.286 -14.019 1.00 0.00 ATOM 824 CB THR A 102 10.697 23.232 -12.805 1.00 0.00 ATOM 825 CG2 THR A 102 12.111 23.769 -12.642 1.00 0.00 ATOM 826 OG1 THR A 102 9.800 24.334 -12.995 1.00 0.00 ATOM 827 O THR A 102 8.328 22.518 -14.704 1.00 0.00 ATOM 828 C THR A 102 9.172 21.808 -14.156 1.00 0.00 ATOM 829 N GLU A 103 8.418 20.790 -13.213 1.00 0.00 ATOM 830 CA GLU A 103 7.048 20.403 -13.485 1.00 0.00 ATOM 831 CB GLU A 103 6.151 21.628 -13.107 1.00 0.00 ATOM 832 CG GLU A 103 6.305 21.978 -11.623 1.00 0.00 ATOM 833 CD GLU A 103 5.461 23.124 -11.132 1.00 0.00 ATOM 834 OE1 GLU A 103 4.843 23.848 -11.944 1.00 0.00 ATOM 835 OE2 GLU A 103 5.459 23.361 -9.902 1.00 0.00 ATOM 836 O GLU A 103 7.896 19.224 -15.381 1.00 0.00 ATOM 837 C GLU A 103 7.072 19.211 -14.482 1.00 0.00 ATOM 838 N THR A 104 6.346 18.166 -14.204 1.00 0.00 ATOM 839 CA THR A 104 6.275 16.972 -15.062 1.00 0.00 ATOM 840 CB THR A 104 6.733 15.705 -14.317 1.00 0.00 ATOM 841 CG2 THR A 104 6.657 14.492 -15.232 1.00 0.00 ATOM 842 OG1 THR A 104 8.088 15.870 -13.876 1.00 0.00 ATOM 843 O THR A 104 3.893 16.910 -14.759 1.00 0.00 ATOM 844 C THR A 104 4.839 16.827 -15.548 1.00 0.00 ATOM 845 N THR A 105 4.661 16.621 -16.863 1.00 0.00 ATOM 846 CA THR A 105 3.325 16.438 -17.429 1.00 0.00 ATOM 847 CB THR A 105 3.294 16.791 -18.927 1.00 0.00 ATOM 848 CG2 THR A 105 1.926 16.487 -19.518 1.00 0.00 ATOM 849 OG1 THR A 105 3.575 18.185 -19.099 1.00 0.00 ATOM 850 O THR A 105 3.736 14.091 -17.613 1.00 0.00 ATOM 851 C THR A 105 2.937 14.982 -17.312 1.00 0.00 ATOM 852 N TYR A 106 1.701 14.745 -16.908 1.00 0.00 ATOM 853 CA TYR A 106 1.143 13.398 -16.915 1.00 0.00 ATOM 854 CB TYR A 106 1.149 12.816 -15.500 1.00 0.00 ATOM 855 CG TYR A 106 0.717 11.369 -15.430 1.00 0.00 ATOM 856 CD1 TYR A 106 1.591 10.348 -15.778 1.00 0.00 ATOM 857 CD2 TYR A 106 -0.565 11.028 -15.018 1.00 0.00 ATOM 858 CE1 TYR A 106 1.205 9.022 -15.718 1.00 0.00 ATOM 859 CE2 TYR A 106 -0.969 9.708 -14.951 1.00 0.00 ATOM 860 CZ TYR A 106 -0.070 8.703 -15.306 1.00 0.00 ATOM 861 OH TYR A 106 -0.457 7.385 -15.245 1.00 0.00 ATOM 862 O TYR A 106 -1.216 13.793 -16.689 1.00 0.00 ATOM 863 C TYR A 106 -0.279 13.469 -17.430 1.00 0.00 ATOM 864 N TRP A 107 -0.426 13.163 -18.710 1.00 0.00 ATOM 865 CA TRP A 107 -1.694 13.382 -19.412 1.00 0.00 ATOM 866 CB TRP A 107 -2.820 12.588 -18.745 1.00 0.00 ATOM 867 CG TRP A 107 -4.132 12.697 -19.457 1.00 0.00 ATOM 868 CD1 TRP A 107 -5.217 13.430 -19.070 1.00 0.00 ATOM 869 CD2 TRP A 107 -4.502 12.049 -20.682 1.00 0.00 ATOM 870 CE2 TRP A 107 -5.823 12.438 -20.976 1.00 0.00 ATOM 871 CE3 TRP A 107 -3.844 11.181 -21.557 1.00 0.00 ATOM 872 NE1 TRP A 107 -6.238 13.281 -19.977 1.00 0.00 ATOM 873 CZ2 TRP A 107 -6.499 11.986 -22.109 1.00 0.00 ATOM 874 CZ3 TRP A 107 -4.518 10.735 -22.679 1.00 0.00 ATOM 875 CH2 TRP A 107 -5.830 11.137 -22.948 1.00 0.00 ATOM 876 O TRP A 107 -1.169 15.691 -19.714 1.00 0.00 ATOM 877 C TRP A 107 -2.008 14.862 -19.354 1.00 0.00 ATOM 878 N GLY A 108 -3.219 15.184 -18.896 1.00 0.00 ATOM 879 CA GLY A 108 -3.666 16.565 -18.758 1.00 0.00 ATOM 880 O GLY A 108 -3.280 18.491 -17.398 1.00 0.00 ATOM 881 C GLY A 108 -3.097 17.290 -17.530 1.00 0.00 ATOM 882 N VAL A 109 -2.408 16.599 -16.531 1.00 0.00 ATOM 883 CA VAL A 109 -2.040 17.171 -15.241 1.00 0.00 ATOM 884 CB VAL A 109 -2.310 16.185 -14.088 1.00 0.00 ATOM 885 CG1 VAL A 109 -3.791 15.838 -14.022 1.00 0.00 ATOM 886 CG2 VAL A 109 -1.524 14.899 -14.292 1.00 0.00 ATOM 887 O VAL A 109 0.218 17.028 -16.109 1.00 0.00 ATOM 888 C VAL A 109 -0.567 17.503 -15.275 1.00 0.00 ATOM 889 N THR A 110 -0.254 18.265 -14.284 1.00 0.00 ATOM 890 CA THR A 110 1.128 18.606 -14.068 1.00 0.00 ATOM 891 CB THR A 110 1.414 20.073 -14.437 1.00 0.00 ATOM 892 CG2 THR A 110 2.881 20.404 -14.212 1.00 0.00 ATOM 893 OG1 THR A 110 1.096 20.291 -15.819 1.00 0.00 ATOM 894 O THR A 110 0.858 18.976 -11.739 1.00 0.00 ATOM 895 C THR A 110 1.510 18.408 -12.621 1.00 0.00 ATOM 896 N ASP A 111 2.613 17.689 -12.397 1.00 0.00 ATOM 897 CA ASP A 111 3.058 17.319 -11.059 1.00 0.00 ATOM 898 CB ASP A 111 3.245 15.805 -10.947 1.00 0.00 ATOM 899 CG ASP A 111 1.945 15.044 -11.111 1.00 0.00 ATOM 900 OD1 ASP A 111 0.965 15.383 -10.412 1.00 0.00 ATOM 901 OD2 ASP A 111 1.903 14.109 -11.939 1.00 0.00 ATOM 902 O ASP A 111 5.272 18.092 -11.618 1.00 0.00 ATOM 903 C ASP A 111 4.391 17.999 -10.755 1.00 0.00 ATOM 904 N SER A 112 4.571 18.468 -9.519 1.00 0.00 ATOM 905 CA SER A 112 5.888 18.914 -9.096 1.00 0.00 ATOM 906 CB SER A 112 5.790 19.717 -7.797 1.00 0.00 ATOM 907 OG SER A 112 5.404 18.890 -6.714 1.00 0.00 ATOM 908 O SER A 112 6.235 16.532 -8.816 1.00 0.00 ATOM 909 C SER A 112 6.760 17.660 -8.872 1.00 0.00 ATOM 910 N THR A 113 8.070 17.858 -8.725 1.00 0.00 ATOM 911 CA THR A 113 8.962 16.726 -8.476 1.00 0.00 ATOM 912 CB THR A 113 10.430 17.177 -8.368 1.00 0.00 ATOM 913 CG2 THR A 113 11.332 15.989 -8.069 1.00 0.00 ATOM 914 OG1 THR A 113 10.842 17.773 -9.603 1.00 0.00 ATOM 915 O THR A 113 8.588 14.827 -7.076 1.00 0.00 ATOM 916 C THR A 113 8.557 16.053 -7.172 1.00 0.00 ATOM 917 N THR A 114 8.144 16.847 -6.158 1.00 0.00 ATOM 918 CA THR A 114 7.739 16.270 -4.883 1.00 0.00 ATOM 919 CB THR A 114 7.507 17.369 -3.830 1.00 0.00 ATOM 920 CG2 THR A 114 7.001 16.763 -2.529 1.00 0.00 ATOM 921 OG1 THR A 114 8.737 18.058 -3.573 1.00 0.00 ATOM 922 O THR A 114 6.427 14.294 -4.472 1.00 0.00 ATOM 923 C THR A 114 6.497 15.421 -5.050 1.00 0.00 ATOM 924 N GLY A 115 5.518 15.913 -5.792 1.00 0.00 ATOM 925 CA GLY A 115 4.264 15.194 -6.019 1.00 0.00 ATOM 926 O GLY A 115 3.978 12.822 -6.385 1.00 0.00 ATOM 927 C GLY A 115 4.554 13.866 -6.724 1.00 0.00 ATOM 928 N TRP A 116 5.446 13.891 -7.710 1.00 0.00 ATOM 929 CA TRP A 116 5.819 12.643 -8.358 1.00 0.00 ATOM 930 CB TRP A 116 6.794 12.906 -9.508 1.00 0.00 ATOM 931 CG TRP A 116 7.221 11.665 -10.229 1.00 0.00 ATOM 932 CD1 TRP A 116 6.570 11.048 -11.257 1.00 0.00 ATOM 933 CD2 TRP A 116 8.398 10.888 -9.976 1.00 0.00 ATOM 934 CE2 TRP A 116 8.394 9.814 -10.889 1.00 0.00 ATOM 935 CE3 TRP A 116 9.456 10.994 -9.068 1.00 0.00 ATOM 936 NE1 TRP A 116 7.266 9.935 -11.660 1.00 0.00 ATOM 937 CZ2 TRP A 116 9.405 8.856 -10.919 1.00 0.00 ATOM 938 CZ3 TRP A 116 10.456 10.042 -9.101 1.00 0.00 ATOM 939 CH2 TRP A 116 10.426 8.986 -10.018 1.00 0.00 ATOM 940 O TRP A 116 6.233 10.472 -7.375 1.00 0.00 ATOM 941 C TRP A 116 6.508 11.676 -7.373 1.00 0.00 ATOM 942 N LEU A 117 7.425 12.206 -6.565 1.00 0.00 ATOM 943 CA LEU A 117 8.138 11.388 -5.586 1.00 0.00 ATOM 944 CB LEU A 117 9.073 12.257 -4.742 1.00 0.00 ATOM 945 CG LEU A 117 9.877 11.535 -3.658 1.00 0.00 ATOM 946 CD1 LEU A 117 10.801 10.498 -4.277 1.00 0.00 ATOM 947 CD2 LEU A 117 10.728 12.521 -2.873 1.00 0.00 ATOM 948 O LEU A 117 7.232 9.518 -4.353 1.00 0.00 ATOM 949 C LEU A 117 7.115 10.713 -4.674 1.00 0.00 ATOM 950 N LEU A 118 6.132 11.471 -4.220 1.00 0.00 ATOM 951 CA LEU A 118 5.075 10.884 -3.379 1.00 0.00 ATOM 952 CB LEU A 118 4.064 11.954 -2.963 1.00 0.00 ATOM 953 CG LEU A 118 4.562 13.010 -1.973 1.00 0.00 ATOM 954 CD1 LEU A 118 3.525 14.105 -1.788 1.00 0.00 ATOM 955 CD2 LEU A 118 4.840 12.384 -0.615 1.00 0.00 ATOM 956 O LEU A 118 4.000 8.752 -3.477 1.00 0.00 ATOM 957 C LEU A 118 4.293 9.791 -4.077 1.00 0.00 ATOM 958 N GLU A 119 3.962 9.999 -5.341 1.00 0.00 ATOM 959 CA GLU A 119 3.250 8.984 -6.121 1.00 0.00 ATOM 960 CB GLU A 119 2.976 9.492 -7.538 1.00 0.00 ATOM 961 CG GLU A 119 1.925 10.587 -7.613 1.00 0.00 ATOM 962 CD GLU A 119 1.779 11.160 -9.009 1.00 0.00 ATOM 963 OE1 GLU A 119 2.555 10.758 -9.900 1.00 0.00 ATOM 964 OE2 GLU A 119 0.887 12.011 -9.211 1.00 0.00 ATOM 965 O GLU A 119 3.546 6.575 -6.099 1.00 0.00 ATOM 966 C GLU A 119 4.078 7.695 -6.227 1.00 0.00 ATOM 967 N ALA A 120 5.369 7.847 -6.514 1.00 0.00 ATOM 968 CA ALA A 120 6.247 6.677 -6.641 1.00 0.00 ATOM 969 CB ALA A 120 7.675 7.114 -6.934 1.00 0.00 ATOM 970 O ALA A 120 6.066 4.633 -5.378 1.00 0.00 ATOM 971 C ALA A 120 6.261 5.854 -5.351 1.00 0.00 ATOM 972 N ALA A 121 6.464 6.513 -4.195 1.00 0.00 ATOM 973 CA ALA A 121 6.500 5.810 -2.913 1.00 0.00 ATOM 974 CB ALA A 121 6.874 6.767 -1.793 1.00 0.00 ATOM 975 O ALA A 121 5.072 4.068 -2.068 1.00 0.00 ATOM 976 C ALA A 121 5.145 5.193 -2.564 1.00 0.00 ATOM 977 N VAL A 122 4.051 5.943 -2.812 1.00 0.00 ATOM 978 CA VAL A 122 2.718 5.444 -2.522 1.00 0.00 ATOM 979 CB VAL A 122 1.641 6.501 -2.830 1.00 0.00 ATOM 980 CG1 VAL A 122 0.251 5.900 -2.694 1.00 0.00 ATOM 981 CG2 VAL A 122 1.754 7.673 -1.866 1.00 0.00 ATOM 982 O VAL A 122 1.844 3.242 -2.848 1.00 0.00 ATOM 983 C VAL A 122 2.420 4.207 -3.355 1.00 0.00 ATOM 984 N HIS A 123 2.860 4.221 -4.603 1.00 0.00 ATOM 985 CA HIS A 123 2.636 3.090 -5.509 1.00 0.00 ATOM 986 CB HIS A 123 3.181 3.406 -6.904 1.00 0.00 ATOM 987 CG HIS A 123 2.397 4.450 -7.636 1.00 0.00 ATOM 988 CD2 HIS A 123 1.107 5.100 -7.452 1.00 0.00 ATOM 989 ND1 HIS A 123 2.855 5.053 -8.787 1.00 0.00 ATOM 990 CE1 HIS A 123 1.938 5.941 -9.211 1.00 0.00 ATOM 991 NE2 HIS A 123 0.888 5.975 -8.414 1.00 0.00 ATOM 992 O HIS A 123 2.747 0.730 -4.990 1.00 0.00 ATOM 993 C HIS A 123 3.336 1.832 -4.997 1.00 0.00 ATOM 994 N LEU A 124 4.591 1.960 -4.589 1.00 0.00 ATOM 995 CA LEU A 124 5.301 0.821 -4.023 1.00 0.00 ATOM 996 CB LEU A 124 6.713 1.229 -3.594 1.00 0.00 ATOM 997 CG LEU A 124 7.699 1.542 -4.721 1.00 0.00 ATOM 998 CD1 LEU A 124 8.992 2.114 -4.159 1.00 0.00 ATOM 999 CD2 LEU A 124 8.037 0.283 -5.504 1.00 0.00 ATOM 1000 O LEU A 124 4.382 -0.925 -2.622 1.00 0.00 ATOM 1001 C LEU A 124 4.565 0.295 -2.787 1.00 0.00 ATOM 1002 N TYR A 125 4.098 1.202 -1.942 1.00 0.00 ATOM 1003 CA TYR A 125 3.335 0.798 -0.765 1.00 0.00 ATOM 1004 CB TYR A 125 2.980 2.018 0.088 1.00 0.00 ATOM 1005 CG TYR A 125 2.146 1.693 1.307 1.00 0.00 ATOM 1006 CD1 TYR A 125 2.732 1.151 2.443 1.00 0.00 ATOM 1007 CD2 TYR A 125 0.778 1.929 1.315 1.00 0.00 ATOM 1008 CE1 TYR A 125 1.978 0.850 3.562 1.00 0.00 ATOM 1009 CE2 TYR A 125 0.008 1.634 2.426 1.00 0.00 ATOM 1010 CZ TYR A 125 0.621 1.091 3.554 1.00 0.00 ATOM 1011 OH TYR A 125 -0.132 0.793 4.667 1.00 0.00 ATOM 1012 O TYR A 125 1.633 -0.837 -0.331 1.00 0.00 ATOM 1013 C TYR A 125 2.022 0.077 -1.057 1.00 0.00 ATOM 1014 N HIS A 126 1.321 0.513 -2.098 1.00 0.00 ATOM 1015 CA HIS A 126 0.050 -0.091 -2.494 1.00 0.00 ATOM 1016 CB HIS A 126 -0.575 0.621 -3.694 1.00 0.00 ATOM 1017 CG HIS A 126 -1.823 -0.033 -4.203 1.00 0.00 ATOM 1018 CD2 HIS A 126 -2.172 -0.843 -5.360 1.00 0.00 ATOM 1019 ND1 HIS A 126 -3.028 0.050 -3.541 1.00 0.00 ATOM 1020 CE1 HIS A 126 -3.956 -0.633 -4.236 1.00 0.00 ATOM 1021 NE2 HIS A 126 -3.449 -1.171 -5.328 1.00 0.00 ATOM 1022 O HIS A 126 -0.414 -2.461 -2.388 1.00 0.00 ATOM 1023 C HIS A 126 0.279 -1.562 -2.870 1.00 0.00 ATOM 1024 N HIS A 127 1.256 -1.814 -3.743 1.00 0.00 ATOM 1025 CA HIS A 127 1.560 -3.173 -4.173 1.00 0.00 ATOM 1026 CB HIS A 127 2.609 -3.202 -5.285 1.00 0.00 ATOM 1027 CG HIS A 127 2.116 -2.665 -6.593 1.00 0.00 ATOM 1028 CD2 HIS A 127 2.446 -1.526 -7.438 1.00 0.00 ATOM 1029 ND1 HIS A 127 1.111 -3.269 -7.315 1.00 0.00 ATOM 1030 CE1 HIS A 127 0.889 -2.561 -8.437 1.00 0.00 ATOM 1031 NE2 HIS A 127 1.686 -1.513 -8.517 1.00 0.00 ATOM 1032 O HIS A 127 1.675 -5.217 -2.925 1.00 0.00 ATOM 1033 C HIS A 127 2.026 -4.040 -3.006 1.00 0.00 ATOM 1034 N ARG A 128 2.816 -3.454 -2.070 1.00 0.00 ATOM 1035 CA ARG A 128 3.295 -4.199 -0.912 1.00 0.00 ATOM 1036 CB ARG A 128 4.248 -3.382 -0.053 1.00 0.00 ATOM 1037 CG ARG A 128 5.591 -3.120 -0.713 1.00 0.00 ATOM 1038 CD ARG A 128 6.445 -2.190 0.141 1.00 0.00 ATOM 1039 NE ARG A 128 6.102 -0.786 -0.094 1.00 0.00 ATOM 1040 CZ ARG A 128 6.587 0.232 0.606 1.00 0.00 ATOM 1041 NH1 ARG A 128 7.445 0.017 1.599 1.00 0.00 ATOM 1042 NH2 ARG A 128 6.227 1.478 0.293 1.00 0.00 ATOM 1043 O ARG A 128 2.045 -5.766 0.403 1.00 0.00 ATOM 1044 C ARG A 128 2.096 -4.645 -0.104 1.00 0.00 ATOM 1045 N SER A 129 1.141 -3.753 0.123 1.00 0.00 ATOM 1046 CA SER A 129 -0.024 -4.134 0.922 1.00 0.00 ATOM 1047 CB SER A 129 -0.912 -2.917 1.192 1.00 0.00 ATOM 1048 OG SER A 129 -0.250 -1.978 2.022 1.00 0.00 ATOM 1049 O SER A 129 -1.371 -6.093 0.887 1.00 0.00 ATOM 1050 C SER A 129 -0.888 -5.167 0.229 1.00 0.00 ATOM 1051 N GLN A 130 -1.066 -5.033 -1.075 1.00 0.00 ATOM 1052 CA GLN A 130 -1.880 -6.012 -1.809 1.00 0.00 ATOM 1053 CB GLN A 130 -2.066 -5.758 -3.270 1.00 0.00 ATOM 1054 CG GLN A 130 -3.155 -6.622 -3.871 1.00 0.00 ATOM 1055 CD GLN A 130 -4.538 -6.350 -3.267 1.00 0.00 ATOM 1056 OE1 GLN A 130 -4.975 -5.178 -3.269 1.00 0.00 ATOM 1057 NE2 GLN A 130 -5.176 -7.304 -2.771 1.00 0.00 ATOM 1058 O GLN A 130 -1.951 -8.387 -1.430 1.00 0.00 ATOM 1059 C GLN A 130 -1.262 -7.414 -1.728 1.00 0.00 ATOM 1060 N LEU A 131 0.104 -7.532 -1.974 1.00 0.00 ATOM 1061 CA LEU A 131 0.777 -8.823 -1.854 1.00 0.00 ATOM 1062 CB LEU A 131 2.167 -8.729 -2.486 1.00 0.00 ATOM 1063 CG LEU A 131 2.211 -8.432 -3.987 1.00 0.00 ATOM 1064 CD1 LEU A 131 3.647 -8.270 -4.460 1.00 0.00 ATOM 1065 CD2 LEU A 131 1.574 -9.566 -4.777 1.00 0.00 ATOM 1066 O LEU A 131 0.962 -10.520 -0.199 1.00 0.00 ATOM 1067 C LEU A 131 0.864 -9.330 -0.421 1.00 0.00 ATOM 1068 N LEU A 132 0.901 -8.427 0.542 1.00 0.00 ATOM 1069 CA LEU A 132 0.820 -8.853 1.948 1.00 0.00 ATOM 1070 CB LEU A 132 0.676 -7.714 2.893 1.00 0.00 ATOM 1071 CG LEU A 132 1.953 -6.861 3.020 1.00 0.00 ATOM 1072 CD1 LEU A 132 1.642 -5.538 3.708 1.00 0.00 ATOM 1073 CD2 LEU A 132 3.031 -7.622 3.787 1.00 0.00 ATOM 1074 O LEU A 132 -0.315 -10.887 2.573 1.00 0.00 ATOM 1075 C LEU A 132 -0.394 -9.775 2.064 1.00 0.00 ATOM 1076 N ASP A 133 -1.531 -9.327 1.555 1.00 0.00 ATOM 1077 CA ASP A 133 -2.761 -10.115 1.687 1.00 0.00 ATOM 1078 CB ASP A 133 -3.972 -9.302 1.230 1.00 0.00 ATOM 1079 CG ASP A 133 -4.347 -8.212 2.215 1.00 0.00 ATOM 1080 OD1 ASP A 133 -3.836 -8.240 3.353 1.00 0.00 ATOM 1081 OD2 ASP A 133 -5.151 -7.330 1.846 1.00 0.00 ATOM 1082 O ASP A 133 -2.953 -12.468 1.281 1.00 0.00 ATOM 1083 C ASP A 133 -2.643 -11.373 0.819 1.00 0.00 ATOM 1084 N TYR A 134 -2.156 -11.242 -0.399 1.00 0.00 ATOM 1085 CA TYR A 134 -2.098 -12.389 -1.284 1.00 0.00 ATOM 1086 CB TYR A 134 -1.603 -12.010 -2.673 1.00 0.00 ATOM 1087 CG TYR A 134 -2.612 -11.380 -3.578 1.00 0.00 ATOM 1088 CD1 TYR A 134 -2.401 -10.126 -4.130 1.00 0.00 ATOM 1089 CD2 TYR A 134 -3.773 -12.075 -3.913 1.00 0.00 ATOM 1090 CE1 TYR A 134 -3.308 -9.537 -4.976 1.00 0.00 ATOM 1091 CE2 TYR A 134 -4.681 -11.460 -4.758 1.00 0.00 ATOM 1092 CZ TYR A 134 -4.463 -10.201 -5.287 1.00 0.00 ATOM 1093 OH TYR A 134 -5.437 -9.674 -6.139 1.00 0.00 ATOM 1094 O TYR A 134 -1.516 -14.735 -0.832 1.00 0.00 ATOM 1095 C TYR A 134 -1.158 -13.525 -0.781 1.00 0.00 ATOM 1096 N LEU A 135 -0.030 -13.143 -0.208 1.00 0.00 ATOM 1097 CA LEU A 135 0.893 -14.117 0.327 1.00 0.00 ATOM 1098 CB LEU A 135 2.194 -13.445 0.782 1.00 0.00 ATOM 1099 CG LEU A 135 2.980 -12.700 -0.301 1.00 0.00 ATOM 1100 CD1 LEU A 135 4.238 -12.111 0.319 1.00 0.00 ATOM 1101 CD2 LEU A 135 3.334 -13.642 -1.451 1.00 0.00 ATOM 1102 O LEU A 135 0.353 -16.109 1.548 1.00 0.00 ATOM 1103 C LEU A 135 0.278 -14.883 1.494 1.00 0.00 ATOM 1104 N ASN A 136 -0.336 -14.169 2.415 1.00 0.00 ATOM 1105 CA ASN A 136 -0.953 -14.809 3.571 1.00 0.00 ATOM 1106 CB ASN A 136 -1.583 -13.754 4.483 1.00 0.00 ATOM 1107 CG ASN A 136 -0.549 -12.965 5.261 1.00 0.00 ATOM 1108 ND2 ASN A 136 -0.945 -11.798 5.756 1.00 0.00 ATOM 1109 OD1 ASN A 136 0.592 -13.400 5.415 1.00 0.00 ATOM 1110 O ASN A 136 -2.113 -16.905 3.644 1.00 0.00 ATOM 1111 C ASN A 136 -2.059 -15.775 3.150 1.00 0.00 ATOM 1112 N LEU A 137 -2.918 -15.337 2.230 1.00 0.00 ATOM 1113 CA LEU A 137 -4.012 -16.172 1.734 1.00 0.00 ATOM 1114 CB LEU A 137 -4.861 -15.399 0.723 1.00 0.00 ATOM 1115 CG LEU A 137 -5.665 -14.220 1.275 1.00 0.00 ATOM 1116 CD1 LEU A 137 -6.352 -13.463 0.147 1.00 0.00 ATOM 1117 CD2 LEU A 137 -6.734 -14.703 2.242 1.00 0.00 ATOM 1118 O LEU A 137 -4.208 -18.429 0.936 1.00 0.00 ATOM 1119 C LEU A 137 -3.490 -17.431 1.054 1.00 0.00 ATOM 1120 N LEU A 138 -2.245 -17.364 0.582 1.00 0.00 ATOM 1121 CA LEU A 138 -1.607 -18.498 -0.079 1.00 0.00 ATOM 1122 CB LEU A 138 -0.734 -18.016 -1.239 1.00 0.00 ATOM 1123 CG LEU A 138 -1.451 -17.262 -2.360 1.00 0.00 ATOM 1124 CD1 LEU A 138 -0.455 -16.759 -3.394 1.00 0.00 ATOM 1125 CD2 LEU A 138 -2.450 -18.168 -3.064 1.00 0.00 ATOM 1126 O LEU A 138 -0.141 -20.331 0.446 1.00 0.00 ATOM 1127 C LEU A 138 -0.753 -19.348 0.867 1.00 0.00 ATOM 1128 N GLY A 139 -0.653 -18.968 2.109 1.00 0.00 ATOM 1129 CA GLY A 139 0.100 -19.694 3.122 1.00 0.00 ATOM 1130 O GLY A 139 2.232 -19.778 4.172 1.00 0.00 ATOM 1131 C GLY A 139 1.514 -19.208 3.351 1.00 0.00 ATOM 1132 N TYR A 140 1.932 -18.173 2.625 1.00 0.00 ATOM 1133 CA TYR A 140 3.277 -17.628 2.788 1.00 0.00 ATOM 1134 CB TYR A 140 4.253 -17.581 1.861 1.00 0.00 ATOM 1135 CG TYR A 140 5.438 -16.702 2.227 1.00 0.00 ATOM 1136 CD1 TYR A 140 6.601 -17.230 2.773 1.00 0.00 ATOM 1137 CD2 TYR A 140 5.394 -15.320 2.060 1.00 0.00 ATOM 1138 CE1 TYR A 140 7.675 -16.422 3.121 1.00 0.00 ATOM 1139 CE2 TYR A 140 6.447 -14.497 2.408 1.00 0.00 ATOM 1140 CZ TYR A 140 7.594 -15.053 2.949 1.00 0.00 ATOM 1141 OH TYR A 140 8.667 -14.248 3.307 1.00 0.00 ATOM 1142 O TYR A 140 2.598 -15.617 3.903 1.00 0.00 ATOM 1143 C TYR A 140 3.254 -16.656 3.954 1.00 0.00 ATOM 1144 N ASP A 141 3.932 -17.036 5.027 1.00 0.00 ATOM 1145 CA ASP A 141 3.981 -16.226 6.224 1.00 0.00 ATOM 1146 CB ASP A 141 4.499 -17.049 7.407 1.00 0.00 ATOM 1147 CG ASP A 141 4.411 -16.298 8.721 1.00 0.00 ATOM 1148 OD1 ASP A 141 3.767 -15.228 8.753 1.00 0.00 ATOM 1149 OD2 ASP A 141 4.987 -16.779 9.720 1.00 0.00 ATOM 1150 O ASP A 141 5.937 -14.916 6.726 1.00 0.00 ATOM 1151 C ASP A 141 4.895 -15.013 6.073 1.00 0.00 ATOM 1152 N ILE A 142 4.519 -14.067 5.225 1.00 0.00 ATOM 1153 CA ILE A 142 5.293 -12.857 4.971 1.00 0.00 ATOM 1154 CB ILE A 142 4.765 -12.103 3.736 1.00 0.00 ATOM 1155 CG1 ILE A 142 5.770 -11.036 3.294 1.00 0.00 ATOM 1156 CG2 ILE A 142 3.444 -11.418 4.053 1.00 0.00 ATOM 1157 CD1 ILE A 142 5.457 -10.424 1.946 1.00 0.00 ATOM 1158 O ILE A 142 4.259 -12.028 6.995 1.00 0.00 ATOM 1159 C ILE A 142 5.254 -12.043 6.273 1.00 0.00 ATOM 1160 N LYS A 143 6.209 -11.138 6.200 1.00 0.00 ATOM 1161 CA LYS A 143 6.261 -10.249 7.354 1.00 0.00 ATOM 1162 CB LYS A 143 7.705 -9.808 7.604 1.00 0.00 ATOM 1163 CG LYS A 143 8.622 -10.927 8.072 1.00 0.00 ATOM 1164 CD LYS A 143 10.025 -10.412 8.342 1.00 0.00 ATOM 1165 CE LYS A 143 10.955 -11.538 8.763 1.00 0.00 ATOM 1166 NZ LYS A 143 12.331 -11.047 9.051 1.00 0.00 ATOM 1167 O LYS A 143 5.352 -8.416 6.105 1.00 0.00 ATOM 1168 C LYS A 143 5.425 -8.986 7.194 1.00 0.00 ATOM 1169 N LEU A 144 4.726 -8.574 8.266 1.00 0.00 ATOM 1170 CA LEU A 144 3.876 -7.380 8.259 1.00 0.00 ATOM 1171 CB LEU A 144 2.859 -7.435 9.401 1.00 0.00 ATOM 1172 CG LEU A 144 1.838 -8.574 9.345 1.00 0.00 ATOM 1173 CD1 LEU A 144 0.963 -8.574 10.588 1.00 0.00 ATOM 1174 CD2 LEU A 144 0.937 -8.428 8.128 1.00 0.00 ATOM 1175 O LEU A 144 4.141 -4.997 8.441 1.00 0.00 ATOM 1176 C LEU A 144 4.698 -6.096 8.406 1.00 0.00 ATOM 1177 N ASP A 145 6.037 -6.277 8.520 1.00 0.00 ATOM 1178 CA ASP A 145 6.896 -5.114 8.646 1.00 0.00 ATOM 1179 CB ASP A 145 8.331 -5.472 8.866 1.00 0.00 ATOM 1180 CG ASP A 145 8.581 -6.104 10.228 1.00 0.00 ATOM 1181 OD1 ASP A 145 7.748 -5.927 11.125 1.00 0.00 ATOM 1182 OD2 ASP A 145 9.713 -6.709 10.352 1.00 0.00 ATOM 1183 O ASP A 145 6.672 -3.006 7.523 1.00 0.00 ATOM 1184 C ASP A 145 6.788 -4.233 7.408 1.00 0.00 ATOM 1185 N LEU A 146 6.839 -4.835 6.216 1.00 0.00 ATOM 1186 CA LEU A 146 6.742 -4.028 5.001 1.00 0.00 ATOM 1187 CB LEU A 146 6.958 -4.911 3.758 1.00 0.00 ATOM 1188 CG LEU A 146 8.413 -5.394 3.538 1.00 0.00 ATOM 1189 CD1 LEU A 146 8.469 -6.396 2.407 1.00 0.00 ATOM 1190 CD2 LEU A 146 9.303 -4.223 3.198 1.00 0.00 ATOM 1191 O LEU A 146 5.314 -2.102 4.557 1.00 0.00 ATOM 1192 C LEU A 146 5.385 -3.292 4.938 1.00 0.00 ATOM 1193 N PHE A 147 4.321 -3.976 5.344 1.00 0.00 ATOM 1194 CA PHE A 147 3.008 -3.329 5.332 1.00 0.00 ATOM 1195 CB PHE A 147 1.926 -4.319 5.707 1.00 0.00 ATOM 1196 CG PHE A 147 0.602 -3.678 5.894 1.00 0.00 ATOM 1197 CD1 PHE A 147 -0.123 -3.235 4.808 1.00 0.00 ATOM 1198 CD2 PHE A 147 0.110 -3.473 7.153 1.00 0.00 ATOM 1199 CE1 PHE A 147 -1.335 -2.576 4.984 1.00 0.00 ATOM 1200 CE2 PHE A 147 -1.088 -2.822 7.346 1.00 0.00 ATOM 1201 CZ PHE A 147 -1.812 -2.374 6.271 1.00 0.00 ATOM 1202 O PHE A 147 2.455 -1.079 5.985 1.00 0.00 ATOM 1203 C PHE A 147 2.971 -2.149 6.308 1.00 0.00 ATOM 1204 N GLU A 148 3.525 -2.346 7.501 1.00 0.00 ATOM 1205 CA GLU A 148 3.549 -1.293 8.511 1.00 0.00 ATOM 1206 CB GLU A 148 4.085 -1.806 9.855 1.00 0.00 ATOM 1207 CG GLU A 148 3.153 -2.809 10.569 1.00 0.00 ATOM 1208 CD GLU A 148 3.819 -3.553 11.733 1.00 0.00 ATOM 1209 OE1 GLU A 148 5.061 -3.432 11.899 1.00 0.00 ATOM 1210 OE2 GLU A 148 3.102 -4.287 12.473 1.00 0.00 ATOM 1211 O GLU A 148 4.039 1.046 8.282 1.00 0.00 ATOM 1212 C GLU A 148 4.391 -0.113 8.040 1.00 0.00 ENDMDL EXPDTA 2hkvA MODEL 2 REMARK 44 REMARK 44 model 2 is called 2hkvA ATOM 1 N MET A 1 21.756 16.450 -1.237 1.00 0.00 ATOM 2 CA MET A 1 20.366 16.353 -1.598 1.00 0.00 ATOM 3 CB MET A 1 19.941 14.881 -1.708 1.00 0.00 ATOM 4 CG MET A 1 20.366 14.122 -0.526 1.00 0.00 ATOM 5 SD MET A 1 19.948 12.180 -0.577 1.00 0.00 ATOM 6 CE MET A 1 20.314 11.791 1.392 1.00 0.00 ATOM 7 O MET A 1 19.987 17.178 0.604 1.00 0.00 ATOM 8 C MET A 1 19.551 17.020 -0.523 1.00 0.00 ATOM 9 N THR A 2 18.345 17.419 -0.860 1.00 0.00 ATOM 10 CA THR A 2 17.469 18.050 0.113 1.00 0.00 ATOM 11 CB THR A 2 16.280 18.705 -0.637 1.00 0.00 ATOM 12 CG2 THR A 2 16.765 19.734 -1.711 1.00 0.00 ATOM 13 OG1 THR A 2 15.536 17.679 -1.266 1.00 0.00 ATOM 14 O THR A 2 16.953 15.826 0.902 1.00 0.00 ATOM 15 C THR A 2 16.881 17.060 1.092 1.00 0.00 ATOM 16 N ASP A 3 16.250 17.589 2.129 1.00 0.00 ATOM 17 CA ASP A 3 15.625 16.726 3.115 1.00 0.00 ATOM 18 CB ASP A 3 15.136 17.557 4.302 1.00 0.00 ATOM 19 CG ASP A 3 16.228 17.726 5.379 1.00 0.00 ATOM 20 OD1 ASP A 3 17.415 17.804 4.996 1.00 0.00 ATOM 21 OD2 ASP A 3 15.900 17.728 6.597 1.00 0.00 ATOM 22 O ASP A 3 14.401 14.652 2.857 1.00 0.00 ATOM 23 C ASP A 3 14.512 15.841 2.506 1.00 0.00 ATOM 24 N TRP A 4 13.746 16.367 1.552 1.00 0.00 ATOM 25 CA TRP A 4 12.738 15.528 0.879 1.00 0.00 ATOM 26 CB TRP A 4 11.700 16.365 0.103 1.00 0.00 ATOM 27 CG TRP A 4 12.200 17.079 -1.134 1.00 0.00 ATOM 28 CD1 TRP A 4 12.672 18.352 -1.221 1.00 0.00 ATOM 29 CD2 TRP A 4 12.221 16.561 -2.457 1.00 0.00 ATOM 30 CE2 TRP A 4 12.739 17.569 -3.302 1.00 0.00 ATOM 31 CE3 TRP A 4 11.846 15.331 -3.021 1.00 0.00 ATOM 32 NE1 TRP A 4 13.048 18.657 -2.521 1.00 0.00 ATOM 33 CZ2 TRP A 4 12.892 17.382 -4.696 1.00 0.00 ATOM 34 CZ3 TRP A 4 12.008 15.143 -4.376 1.00 0.00 ATOM 35 CH2 TRP A 4 12.517 16.170 -5.207 1.00 0.00 ATOM 36 O TRP A 4 12.912 13.357 -0.095 1.00 0.00 ATOM 37 C TRP A 4 13.387 14.482 -0.022 1.00 0.00 ATOM 38 N GLN A 5 14.484 14.822 -0.732 1.00 0.00 ATOM 39 CA GLN A 5 15.173 13.821 -1.547 1.00 0.00 ATOM 40 CB GLN A 5 16.298 14.432 -2.356 1.00 0.00 ATOM 41 CG GLN A 5 15.789 15.345 -3.507 1.00 0.00 ATOM 42 CD GLN A 5 16.800 16.329 -4.070 1.00 0.00 ATOM 43 OE1 GLN A 5 17.720 16.787 -3.418 1.00 0.00 ATOM 44 NE2 GLN A 5 16.557 16.697 -5.311 1.00 0.00 ATOM 45 O GLN A 5 15.694 11.520 -1.062 1.00 0.00 ATOM 46 C GLN A 5 15.746 12.710 -0.686 1.00 0.00 ATOM 47 N GLN A 6 16.309 13.096 0.469 1.00 0.00 ATOM 48 CA GLN A 6 16.815 12.125 1.446 1.00 0.00 ATOM 49 CB GLN A 6 17.384 12.870 2.645 1.00 0.00 ATOM 50 CG GLN A 6 17.827 11.982 3.746 1.00 0.00 ATOM 51 CD GLN A 6 18.436 12.755 4.967 1.00 0.00 ATOM 52 OE1 GLN A 6 17.892 13.768 5.480 1.00 0.00 ATOM 53 NE2 GLN A 6 19.593 12.273 5.414 1.00 0.00 ATOM 54 O GLN A 6 15.915 9.967 2.015 1.00 0.00 ATOM 55 C GLN A 6 15.715 11.184 1.918 1.00 0.00 ATOM 56 N ALA A 7 14.547 11.747 2.192 1.00 0.00 ATOM 57 CA ALA A 7 13.379 10.994 2.692 1.00 0.00 ATOM 58 CB ALA A 7 12.308 11.919 2.989 1.00 0.00 ATOM 59 O ALA A 7 12.643 8.825 1.920 1.00 0.00 ATOM 60 C ALA A 7 12.898 10.002 1.644 1.00 0.00 ATOM 61 N LEU A 8 12.793 10.483 0.406 1.00 0.00 ATOM 62 CA LEU A 8 12.393 9.596 -0.669 1.00 0.00 ATOM 63 CB LEU A 8 12.064 10.338 -1.959 1.00 0.00 ATOM 64 CG LEU A 8 10.722 11.061 -2.051 1.00 0.00 ATOM 65 CD1 LEU A 8 10.665 12.010 -3.284 1.00 0.00 ATOM 66 CD2 LEU A 8 9.560 10.056 -1.990 1.00 0.00 ATOM 67 O LEU A 8 12.998 7.348 -1.082 1.00 0.00 ATOM 68 C LEU A 8 13.411 8.478 -0.900 1.00 0.00 ATOM 69 N ASP A 9 14.704 8.805 -0.953 1.00 0.00 ATOM 70 CA ASP A 9 15.740 7.793 -1.150 1.00 0.00 ATOM 71 CB ASP A 9 17.105 8.446 -1.189 1.00 0.00 ATOM 72 CG ASP A 9 18.209 7.479 -1.525 1.00 0.00 ATOM 73 OD1 ASP A 9 18.159 6.903 -2.615 1.00 0.00 ATOM 74 OD2 ASP A 9 19.123 7.280 -0.690 1.00 0.00 ATOM 75 O ASP A 9 15.704 5.508 -0.284 1.00 0.00 ATOM 76 C ASP A 9 15.629 6.720 -0.034 1.00 0.00 ATOM 77 N ARG A 10 15.405 7.166 1.184 1.00 0.00 ATOM 78 CA ARG A 10 15.278 6.231 2.341 1.00 0.00 ATOM 79 CB ARG A 10 15.213 7.030 3.636 1.00 0.00 ATOM 80 CG ARG A 10 14.965 6.206 4.892 1.00 0.00 ATOM 81 CD ARG A 10 15.170 6.996 6.145 1.00 0.00 ATOM 82 NE ARG A 10 14.807 6.216 7.341 1.00 0.00 ATOM 83 CZ ARG A 10 15.178 6.540 8.583 1.00 0.00 ATOM 84 NH1 ARG A 10 15.896 7.599 8.808 1.00 0.00 ATOM 85 NH2 ARG A 10 14.821 5.755 9.606 1.00 0.00 ATOM 86 O ARG A 10 14.195 4.069 2.233 1.00 0.00 ATOM 87 C ARG A 10 14.066 5.295 2.202 1.00 0.00 ATOM 88 N HIS A 11 12.891 5.896 2.072 1.00 0.00 ATOM 89 CA HIS A 11 11.630 5.177 2.120 1.00 0.00 ATOM 90 CB HIS A 11 10.491 6.121 2.596 1.00 0.00 ATOM 91 CG HIS A 11 10.643 6.534 4.026 1.00 0.00 ATOM 92 CD2 HIS A 11 11.204 7.627 4.592 1.00 0.00 ATOM 93 ND1 HIS A 11 10.250 5.713 5.081 1.00 0.00 ATOM 94 CE1 HIS A 11 10.592 6.290 6.221 1.00 0.00 ATOM 95 NE2 HIS A 11 11.187 7.437 5.962 1.00 0.00 ATOM 96 O HIS A 11 10.830 3.303 0.868 1.00 0.00 ATOM 97 C HIS A 11 11.335 4.445 0.840 1.00 0.00 ATOM 98 N VAL A 12 11.671 5.018 -0.312 1.00 0.00 ATOM 99 CA VAL A 12 11.528 4.249 -1.543 1.00 0.00 ATOM 100 CB VAL A 12 11.573 5.100 -2.853 1.00 0.00 ATOM 101 CG1 VAL A 12 11.380 4.169 -4.042 1.00 0.00 ATOM 102 CG2 VAL A 12 10.497 6.172 -2.881 1.00 0.00 ATOM 103 O VAL A 12 12.280 1.999 -2.027 1.00 0.00 ATOM 104 C VAL A 12 12.568 3.109 -1.591 1.00 0.00 ATOM 105 N GLY A 13 13.771 3.348 -1.090 1.00 0.00 ATOM 106 CA GLY A 13 14.771 2.257 -0.996 1.00 0.00 ATOM 107 O GLY A 13 14.540 -0.094 -0.430 1.00 0.00 ATOM 108 C GLY A 13 14.291 1.089 -0.121 1.00 0.00 ATOM 109 N VAL A 14 13.622 1.388 0.993 1.00 0.00 ATOM 110 CA VAL A 14 13.052 0.324 1.821 1.00 0.00 ATOM 111 CB VAL A 14 12.291 0.836 3.109 1.00 0.00 ATOM 112 CG1 VAL A 14 11.500 -0.290 3.766 1.00 0.00 ATOM 113 CG2 VAL A 14 13.238 1.526 4.152 1.00 0.00 ATOM 114 O VAL A 14 12.007 -1.671 1.045 1.00 0.00 ATOM 115 C VAL A 14 12.037 -0.439 1.020 1.00 0.00 ATOM 116 N GLY A 15 11.131 0.309 0.392 1.00 0.00 ATOM 117 CA GLY A 15 10.134 -0.266 -0.506 1.00 0.00 ATOM 118 O GLY A 15 10.231 -2.306 -1.742 1.00 0.00 ATOM 119 C GLY A 15 10.732 -1.205 -1.521 1.00 0.00 ATOM 120 N VAL A 16 11.816 -0.796 -2.141 1.00 0.00 ATOM 121 CA VAL A 16 12.434 -1.591 -3.176 1.00 0.00 ATOM 122 CB VAL A 16 13.431 -0.746 -3.991 1.00 0.00 ATOM 123 CG1 VAL A 16 14.321 -1.645 -4.902 1.00 0.00 ATOM 124 CG2 VAL A 16 12.670 0.310 -4.810 1.00 0.00 ATOM 125 O VAL A 16 12.983 -3.907 -3.092 1.00 0.00 ATOM 126 C VAL A 16 13.141 -2.808 -2.590 1.00 0.00 ATOM 127 N ARG A 17 13.900 -2.630 -1.511 1.00 0.00 ATOM 128 CA ARG A 17 14.590 -3.796 -0.967 1.00 0.00 ATOM 129 CB ARG A 17 15.596 -3.404 0.070 1.00 0.00 ATOM 130 CG ARG A 17 16.717 -2.600 -0.563 1.00 0.00 ATOM 131 CD ARG A 17 17.835 -2.332 0.384 1.00 0.00 ATOM 132 NE ARG A 17 17.336 -1.673 1.574 1.00 0.00 ATOM 133 CZ ARG A 17 17.316 -0.357 1.785 1.00 0.00 ATOM 134 NH1 ARG A 17 17.779 0.526 0.872 1.00 0.00 ATOM 135 NH2 ARG A 17 16.807 0.072 2.946 1.00 0.00 ATOM 136 O ARG A 17 13.894 -6.081 -0.599 1.00 0.00 ATOM 137 C ARG A 17 13.657 -4.870 -0.406 1.00 0.00 ATOM 138 N THR A 18 12.600 -4.443 0.282 1.00 0.00 ATOM 139 CA THR A 18 11.587 -5.388 0.753 1.00 0.00 ATOM 140 CB THR A 18 10.627 -4.767 1.759 1.00 0.00 ATOM 141 CG2 THR A 18 11.395 -4.394 3.103 1.00 0.00 ATOM 142 OG1 THR A 18 9.992 -3.605 1.195 1.00 0.00 ATOM 143 O THR A 18 10.589 -7.229 -0.326 1.00 0.00 ATOM 144 C THR A 18 10.839 -6.039 -0.381 1.00 0.00 ATOM 145 N THR A 19 10.520 -5.321 -1.453 1.00 0.00 ATOM 146 CA THR A 19 9.902 -5.940 -2.611 1.00 0.00 ATOM 147 CB THR A 19 9.464 -4.905 -3.660 1.00 0.00 ATOM 148 CG2 THR A 19 8.803 -5.559 -4.900 1.00 0.00 ATOM 149 OG1 THR A 19 8.524 -4.020 -3.049 1.00 0.00 ATOM 150 O THR A 19 10.287 -8.089 -3.607 1.00 0.00 ATOM 151 C THR A 19 10.787 -6.998 -3.242 1.00 0.00 ATOM 152 N ARG A 20 12.082 -6.696 -3.338 1.00 0.00 ATOM 153 CA ARG A 20 13.060 -7.627 -3.890 1.00 0.00 ATOM 154 CB ARG A 20 14.463 -6.994 -3.917 1.00 0.00 ATOM 155 CG ARG A 20 15.420 -7.666 -4.815 1.00 0.00 ATOM 156 CD ARG A 20 16.855 -7.156 -4.581 1.00 0.00 ATOM 157 NE ARG A 20 16.953 -5.728 -4.892 1.00 0.00 ATOM 158 CZ ARG A 20 17.538 -4.805 -4.131 1.00 0.00 ATOM 159 NH1 ARG A 20 18.122 -5.116 -2.974 1.00 0.00 ATOM 160 NH2 ARG A 20 17.558 -3.542 -4.545 1.00 0.00 ATOM 161 O ARG A 20 12.997 -10.017 -3.603 1.00 0.00 ATOM 162 C ARG A 20 13.022 -8.918 -3.059 1.00 0.00 ATOM 163 N ASP A 21 12.978 -8.784 -1.730 1.00 0.00 ATOM 164 CA ASP A 21 12.961 -9.956 -0.861 1.00 0.00 ATOM 165 CB ASP A 21 13.060 -9.557 0.602 1.00 0.00 ATOM 166 CG ASP A 21 14.420 -8.962 0.959 1.00 0.00 ATOM 167 OD1 ASP A 21 15.437 -9.327 0.289 1.00 0.00 ATOM 168 OD2 ASP A 21 14.466 -8.140 1.921 1.00 0.00 ATOM 169 O ASP A 21 11.743 -12.003 -1.150 1.00 0.00 ATOM 170 C ASP A 21 11.694 -10.761 -1.077 1.00 0.00 ATOM 171 N LEU A 22 10.561 -10.062 -1.223 1.00 0.00 ATOM 172 CA LEU A 22 9.286 -10.770 -1.418 1.00 0.00 ATOM 173 CB LEU A 22 8.070 -9.815 -1.409 1.00 0.00 ATOM 174 CG LEU A 22 7.622 -9.210 -0.065 1.00 0.00 ATOM 175 CD1 LEU A 22 6.494 -8.175 -0.310 1.00 0.00 ATOM 176 CD2 LEU A 22 7.119 -10.294 0.899 1.00 0.00 ATOM 177 O LEU A 22 8.881 -12.714 -2.717 1.00 0.00 ATOM 178 C LEU A 22 9.297 -11.568 -2.716 1.00 0.00 ATOM 179 N ILE A 23 9.788 -10.956 -3.789 1.00 0.00 ATOM 180 CA ILE A 23 9.842 -11.596 -5.091 1.00 0.00 ATOM 181 CB ILE A 23 10.354 -10.611 -6.213 1.00 0.00 ATOM 182 CG1 ILE A 23 9.286 -9.542 -6.488 1.00 0.00 ATOM 183 CG2 ILE A 23 10.741 -11.366 -7.510 1.00 0.00 ATOM 184 CD1 ILE A 23 9.755 -8.382 -7.374 1.00 0.00 ATOM 185 O ILE A 23 10.263 -13.901 -5.436 1.00 0.00 ATOM 186 C ILE A 23 10.682 -12.852 -4.966 1.00 0.00 ATOM 187 N ARG A 24 11.816 -12.777 -4.248 1.00 0.00 ATOM 188 CA ARG A 24 12.659 -13.976 -4.054 1.00 0.00 ATOM 189 CB ARG A 24 13.999 -13.581 -3.456 1.00 0.00 ATOM 190 CG ARG A 24 14.867 -12.749 -4.383 1.00 0.00 ATOM 191 CD ARG A 24 15.936 -12.056 -3.552 1.00 0.00 ATOM 192 NE ARG A 24 16.982 -11.458 -4.368 1.00 0.00 ATOM 193 CZ ARG A 24 17.763 -10.444 -3.983 1.00 0.00 ATOM 194 NH1 ARG A 24 17.617 -9.875 -2.782 1.00 0.00 ATOM 195 NH2 ARG A 24 18.693 -9.980 -4.813 1.00 0.00 ATOM 196 O ARG A 24 12.496 -16.241 -3.228 1.00 0.00 ATOM 197 C ARG A 24 12.008 -15.106 -3.225 1.00 0.00 ATOM 198 N LEU A 25 10.903 -14.828 -2.547 1.00 0.00 ATOM 199 CA LEU A 25 10.193 -15.861 -1.798 1.00 0.00 ATOM 200 CB LEU A 25 9.383 -15.249 -0.639 1.00 0.00 ATOM 201 CG LEU A 25 10.185 -14.490 0.427 1.00 0.00 ATOM 202 CD1 LEU A 25 9.271 -14.122 1.596 1.00 0.00 ATOM 203 CD2 LEU A 25 11.347 -15.323 0.911 1.00 0.00 ATOM 204 O LEU A 25 8.995 -17.822 -2.409 1.00 0.00 ATOM 205 C LEU A 25 9.294 -16.676 -2.696 1.00 0.00 ATOM 206 N ILE A 26 8.873 -16.091 -3.814 1.00 0.00 ATOM 207 CA ILE A 26 7.817 -16.668 -4.585 1.00 0.00 ATOM 208 CB ILE A 26 7.333 -15.719 -5.687 1.00 0.00 ATOM 209 CG1 ILE A 26 6.811 -14.391 -5.084 1.00 0.00 ATOM 210 CG2 ILE A 26 6.267 -16.481 -6.571 1.00 0.00 ATOM 211 CD1 ILE A 26 6.394 -13.331 -6.126 1.00 0.00 ATOM 212 O ILE A 26 9.353 -18.119 -5.756 1.00 0.00 ATOM 213 C ILE A 26 8.269 -18.020 -5.181 1.00 0.00 ATOM 214 N GLN A 27 7.452 -19.052 -5.004 1.00 0.00 ATOM 215 CA GLN A 27 7.758 -20.388 -5.486 1.00 0.00 ATOM 216 CB GLN A 27 7.088 -21.428 -4.582 1.00 0.00 ATOM 217 CG GLN A 27 7.370 -21.272 -3.070 1.00 0.00 ATOM 218 CD GLN A 27 6.247 -21.852 -2.212 1.00 0.00 ATOM 219 O GLN A 27 6.237 -19.962 -7.248 1.00 0.00 ATOM 220 C GLN A 27 7.258 -20.532 -6.911 1.00 0.00 ATOM 221 N PRO A 28 7.916 -21.382 -7.726 1.00 0.00 ATOM 222 CA PRO A 28 7.525 -21.595 -9.130 1.00 0.00 ATOM 223 CB PRO A 28 8.246 -22.902 -9.510 1.00 0.00 ATOM 224 CG PRO A 28 8.755 -23.484 -8.179 1.00 0.00 ATOM 225 CD PRO A 28 9.030 -22.282 -7.356 1.00 0.00 ATOM 226 O PRO A 28 5.468 -21.304 -10.252 1.00 0.00 ATOM 227 C PRO A 28 6.056 -21.841 -9.330 1.00 0.00 ATOM 228 N GLU A 29 5.469 -22.676 -8.485 1.00 0.00 ATOM 229 CA GLU A 29 4.083 -23.080 -8.666 1.00 0.00 ATOM 230 CB GLU A 29 3.682 -24.186 -7.652 1.00 0.00 ATOM 231 CG GLU A 29 3.920 -23.858 -6.130 1.00 0.00 ATOM 232 CD GLU A 29 5.153 -24.549 -5.480 1.00 0.00 ATOM 233 OE1 GLU A 29 5.662 -25.549 -6.023 1.00 0.00 ATOM 234 OE2 GLU A 29 5.595 -24.092 -4.399 1.00 0.00 ATOM 235 O GLU A 29 2.018 -22.007 -9.101 1.00 0.00 ATOM 236 C GLU A 29 3.104 -21.913 -8.582 1.00 0.00 ATOM 237 N ASP A 30 3.507 -20.806 -7.959 1.00 0.00 ATOM 238 CA ASP A 30 2.556 -19.772 -7.531 1.00 0.00 ATOM 239 CB ASP A 30 2.974 -19.260 -6.139 1.00 0.00 ATOM 240 CG ASP A 30 2.759 -20.314 -5.046 1.00 0.00 ATOM 241 OD1 ASP A 30 1.862 -21.189 -5.207 1.00 0.00 ATOM 242 OD2 ASP A 30 3.464 -20.261 -4.021 1.00 0.00 ATOM 243 O ASP A 30 1.477 -17.734 -8.263 1.00 0.00 ATOM 244 C ASP A 30 2.369 -18.581 -8.482 1.00 0.00 ATOM 245 N TRP A 31 3.207 -18.495 -9.509 1.00 0.00 ATOM 246 CA TRP A 31 3.232 -17.313 -10.363 1.00 0.00 ATOM 247 CB TRP A 31 4.336 -17.419 -11.405 1.00 0.00 ATOM 248 CG TRP A 31 5.721 -17.303 -10.852 1.00 0.00 ATOM 249 CD1 TRP A 31 6.653 -18.309 -10.744 1.00 0.00 ATOM 250 CD2 TRP A 31 6.352 -16.128 -10.381 1.00 0.00 ATOM 251 CE2 TRP A 31 7.658 -16.490 -9.964 1.00 0.00 ATOM 252 CE3 TRP A 31 5.953 -14.805 -10.247 1.00 0.00 ATOM 253 NE1 TRP A 31 7.815 -17.823 -10.226 1.00 0.00 ATOM 254 CZ2 TRP A 31 8.565 -15.565 -9.463 1.00 0.00 ATOM 255 CZ3 TRP A 31 6.854 -13.889 -9.719 1.00 0.00 ATOM 256 CH2 TRP A 31 8.147 -14.275 -9.341 1.00 0.00 ATOM 257 O TRP A 31 1.505 -15.897 -11.205 1.00 0.00 ATOM 258 C TRP A 31 1.903 -17.040 -11.056 1.00 0.00 ATOM 259 N ASP A 32 1.207 -18.066 -11.505 1.00 0.00 ATOM 260 CA ASP A 32 -0.079 -17.828 -12.168 1.00 0.00 ATOM 261 CB ASP A 32 -0.294 -18.854 -13.302 1.00 0.00 ATOM 262 CG ASP A 32 0.634 -18.601 -14.469 1.00 0.00 ATOM 263 OD1 ASP A 32 0.782 -17.403 -14.845 1.00 0.00 ATOM 264 OD2 ASP A 32 1.237 -19.579 -14.977 1.00 0.00 ATOM 265 O ASP A 32 -2.422 -17.672 -11.718 1.00 0.00 ATOM 266 C ASP A 32 -1.291 -17.850 -11.251 1.00 0.00 ATOM 267 N LYS A 33 -1.072 -18.101 -9.969 1.00 0.00 ATOM 268 CA LYS A 33 -2.153 -18.071 -8.999 1.00 0.00 ATOM 269 CB LYS A 33 -1.659 -18.543 -7.612 1.00 0.00 ATOM 270 CG LYS A 33 -1.386 -20.050 -7.498 1.00 0.00 ATOM 271 CD LYS A 33 -2.132 -20.658 -6.267 1.00 0.00 ATOM 272 CE LYS A 33 -1.814 -22.152 -5.961 1.00 0.00 ATOM 273 NZ LYS A 33 -0.431 -22.693 -6.352 1.00 0.00 ATOM 274 O LYS A 33 -2.056 -15.627 -8.996 1.00 0.00 ATOM 275 C LYS A 33 -2.767 -16.658 -8.912 1.00 0.00 ATOM 276 N ARG A 34 -4.089 -16.626 -8.749 1.00 0.00 ATOM 277 CA ARG A 34 -4.844 -15.378 -8.533 1.00 0.00 ATOM 278 CB ARG A 34 -5.838 -15.115 -9.687 1.00 0.00 ATOM 279 CG ARG A 34 -5.176 -15.126 -11.048 1.00 0.00 ATOM 280 CD ARG A 34 -6.180 -14.900 -12.214 1.00 0.00 ATOM 281 NE ARG A 34 -5.541 -14.101 -13.263 1.00 0.00 ATOM 282 CZ ARG A 34 -4.607 -14.560 -14.101 1.00 0.00 ATOM 283 NH1 ARG A 34 -4.181 -15.830 -14.042 1.00 0.00 ATOM 284 NH2 ARG A 34 -4.076 -13.735 -15.004 1.00 0.00 ATOM 285 O ARG A 34 -6.772 -15.962 -7.269 1.00 0.00 ATOM 286 C ARG A 34 -5.628 -15.519 -7.241 1.00 0.00 ATOM 287 N PRO A 35 -5.009 -15.177 -6.103 1.00 0.00 ATOM 288 CA PRO A 35 -5.642 -15.330 -4.800 1.00 0.00 ATOM 289 CB PRO A 35 -4.545 -14.867 -3.811 1.00 0.00 ATOM 290 CG PRO A 35 -3.267 -14.871 -4.578 1.00 0.00 ATOM 291 CD PRO A 35 -3.653 -14.611 -6.002 1.00 0.00 ATOM 292 O PRO A 35 -7.721 -14.790 -3.801 1.00 0.00 ATOM 293 C PRO A 35 -6.901 -14.467 -4.627 1.00 0.00 ATOM 294 N ILE A 36 -7.014 -13.353 -5.343 1.00 0.00 ATOM 295 CA ILE A 36 -8.229 -12.535 -5.326 1.00 0.00 ATOM 296 CB ILE A 36 -7.916 -11.056 -4.987 1.00 0.00 ATOM 297 CG1 ILE A 36 -7.017 -10.973 -3.750 1.00 0.00 ATOM 298 CG2 ILE A 36 -9.196 -10.259 -4.797 1.00 0.00 ATOM 299 CD1 ILE A 36 -6.959 -9.595 -3.131 1.00 0.00 ATOM 300 O ILE A 36 -8.445 -11.952 -7.648 1.00 0.00 ATOM 301 C ILE A 36 -8.894 -12.600 -6.705 1.00 0.00 ATOM 302 N SER A 37 -9.954 -13.397 -6.813 1.00 0.00 ATOM 303 CA SER A 37 -10.624 -13.632 -8.104 1.00 0.00 ATOM 304 CB SER A 37 -11.839 -14.565 -7.951 1.00 0.00 ATOM 305 OG SER A 37 -12.982 -13.861 -7.482 1.00 0.00 ATOM 306 O SER A 37 -11.549 -11.454 -7.949 1.00 0.00 ATOM 307 C SER A 37 -11.032 -12.294 -8.675 1.00 0.00 ATOM 308 N GLY A 38 -10.735 -12.085 -9.954 1.00 0.00 ATOM 309 CA GLY A 38 -10.965 -10.806 -10.618 1.00 0.00 ATOM 310 O GLY A 38 -9.760 -8.990 -11.605 1.00 0.00 ATOM 311 C GLY A 38 -9.748 -9.921 -10.789 1.00 0.00 ATOM 312 N LYS A 39 -8.691 -10.190 -10.030 1.00 0.00 ATOM 313 CA LYS A 39 -7.538 -9.310 -10.015 1.00 0.00 ATOM 314 CB LYS A 39 -7.305 -8.819 -8.580 1.00 0.00 ATOM 315 CG LYS A 39 -8.543 -8.142 -7.963 1.00 0.00 ATOM 316 CD LYS A 39 -9.122 -7.053 -8.897 1.00 0.00 ATOM 317 CE LYS A 39 -9.880 -5.952 -8.156 1.00 0.00 ATOM 318 NZ LYS A 39 -10.726 -5.121 -9.070 1.00 0.00 ATOM 319 O LYS A 39 -6.288 -11.117 -10.966 1.00 0.00 ATOM 320 C LYS A 39 -6.280 -9.945 -10.607 1.00 0.00 ATOM 321 N ARG A 40 -5.216 -9.145 -10.710 1.00 0.00 ATOM 322 CA ARG A 40 -3.938 -9.570 -11.276 1.00 0.00 ATOM 323 CB ARG A 40 -2.897 -8.489 -11.084 1.00 0.00 ATOM 324 CG ARG A 40 -2.782 -7.404 -12.150 1.00 0.00 ATOM 325 CD ARG A 40 -1.978 -6.282 -11.632 1.00 0.00 ATOM 326 NE ARG A 40 -1.490 -5.400 -12.683 1.00 0.00 ATOM 327 CZ ARG A 40 -1.967 -4.176 -12.886 1.00 0.00 ATOM 328 NH1 ARG A 40 -2.902 -3.682 -12.085 1.00 0.00 ATOM 329 NH2 ARG A 40 -1.513 -3.434 -13.892 1.00 0.00 ATOM 330 O ARG A 40 -3.713 -11.106 -9.422 1.00 0.00 ATOM 331 C ARG A 40 -3.459 -10.874 -10.599 1.00 0.00 ATOM 332 N SER A 41 -2.784 -11.723 -11.355 1.00 0.00 ATOM 333 CA SER A 41 -2.079 -12.850 -10.776 1.00 0.00 ATOM 334 CB SER A 41 -1.650 -13.819 -11.869 1.00 0.00 ATOM 335 OG SER A 41 -0.579 -13.264 -12.610 1.00 0.00 ATOM 336 O SER A 41 -0.459 -11.225 -10.039 1.00 0.00 ATOM 337 C SER A 41 -0.827 -12.387 -9.976 1.00 0.00 ATOM 338 N VAL A 42 -0.210 -13.294 -9.195 1.00 0.00 ATOM 339 CA VAL A 42 1.035 -13.030 -8.506 1.00 0.00 ATOM 340 CB VAL A 42 1.601 -14.344 -7.863 1.00 0.00 ATOM 341 CG1 VAL A 42 2.982 -14.138 -7.381 1.00 0.00 ATOM 342 CG2 VAL A 42 0.721 -14.805 -6.747 1.00 0.00 ATOM 343 O VAL A 42 2.747 -11.478 -9.211 1.00 0.00 ATOM 344 C VAL A 42 2.079 -12.498 -9.474 1.00 0.00 ATOM 345 N TYR A 43 2.227 -13.182 -10.615 1.00 0.00 ATOM 346 CA TYR A 43 3.258 -12.764 -11.540 1.00 0.00 ATOM 347 CB TYR A 43 3.432 -13.765 -12.679 1.00 0.00 ATOM 348 CG TYR A 43 4.199 -13.241 -13.874 1.00 0.00 ATOM 349 CD1 TYR A 43 5.570 -13.115 -13.852 1.00 0.00 ATOM 350 CD2 TYR A 43 3.527 -12.885 -15.045 1.00 0.00 ATOM 351 CE1 TYR A 43 6.260 -12.641 -14.946 1.00 0.00 ATOM 352 CE2 TYR A 43 4.202 -12.416 -16.153 1.00 0.00 ATOM 353 CZ TYR A 43 5.566 -12.302 -16.111 1.00 0.00 ATOM 354 OH TYR A 43 6.230 -11.840 -17.232 1.00 0.00 ATOM 355 O TYR A 43 3.801 -10.545 -12.241 1.00 0.00 ATOM 356 C TYR A 43 2.920 -11.368 -12.090 1.00 0.00 ATOM 357 N GLU A 44 1.662 -11.122 -12.413 1.00 0.00 ATOM 358 CA GLU A 44 1.290 -9.827 -12.985 1.00 0.00 ATOM 359 CB GLU A 44 -0.137 -9.865 -13.538 1.00 0.00 ATOM 360 CG GLU A 44 -0.319 -10.731 -14.781 1.00 0.00 ATOM 361 CD GLU A 44 -1.804 -11.025 -15.105 1.00 0.00 ATOM 362 OE1 GLU A 44 -2.711 -10.673 -14.319 1.00 0.00 ATOM 363 OE2 GLU A 44 -2.076 -11.663 -16.162 1.00 0.00 ATOM 364 O GLU A 44 1.878 -7.579 -12.388 1.00 0.00 ATOM 365 C GLU A 44 1.461 -8.648 -11.991 1.00 0.00 ATOM 366 N VAL A 45 1.164 -8.871 -10.705 1.00 0.00 ATOM 367 CA VAL A 45 1.485 -7.887 -9.657 1.00 0.00 ATOM 368 CB VAL A 45 0.998 -8.316 -8.287 1.00 0.00 ATOM 369 CG1 VAL A 45 1.230 -7.184 -7.240 1.00 0.00 ATOM 370 CG2 VAL A 45 -0.489 -8.539 -8.325 1.00 0.00 ATOM 371 O VAL A 45 3.404 -6.468 -9.556 1.00 0.00 ATOM 372 C VAL A 45 2.973 -7.615 -9.609 1.00 0.00 ATOM 373 N ALA A 46 3.763 -8.696 -9.582 1.00 0.00 ATOM 374 CA ALA A 46 5.207 -8.600 -9.563 1.00 0.00 ATOM 375 CB ALA A 46 5.875 -9.996 -9.437 1.00 0.00 ATOM 376 O ALA A 46 6.685 -7.020 -10.486 1.00 0.00 ATOM 377 C ALA A 46 5.803 -7.825 -10.714 1.00 0.00 ATOM 378 N VAL A 47 5.347 -8.055 -11.944 1.00 0.00 ATOM 379 CA VAL A 47 5.859 -7.303 -13.081 1.00 0.00 ATOM 380 CB VAL A 47 5.312 -7.862 -14.431 1.00 0.00 ATOM 381 CG1 VAL A 47 5.761 -6.995 -15.616 1.00 0.00 ATOM 382 CG2 VAL A 47 5.737 -9.331 -14.622 1.00 0.00 ATOM 383 O VAL A 47 6.349 -4.932 -13.297 1.00 0.00 ATOM 384 C VAL A 47 5.519 -5.786 -12.966 1.00 0.00 ATOM 385 N HIS A 48 4.296 -5.475 -12.551 1.00 0.00 ATOM 386 CA HIS A 48 3.842 -4.065 -12.414 1.00 0.00 ATOM 387 CB HIS A 48 2.348 -4.047 -12.038 1.00 0.00 ATOM 388 CG HIS A 48 1.727 -2.678 -11.833 1.00 0.00 ATOM 389 CD2 HIS A 48 0.945 -2.200 -10.823 1.00 0.00 ATOM 390 ND1 HIS A 48 1.770 -1.682 -12.771 1.00 0.00 ATOM 391 CE1 HIS A 48 1.068 -0.638 -12.347 1.00 0.00 ATOM 392 NE2 HIS A 48 0.595 -0.897 -11.135 1.00 0.00 ATOM 393 O HIS A 48 5.256 -2.302 -11.597 1.00 0.00 ATOM 394 C HIS A 48 4.744 -3.396 -11.371 1.00 0.00 ATOM 395 N LEU A 49 4.968 -4.071 -10.238 1.00 0.00 ATOM 396 CA LEU A 49 5.908 -3.564 -9.210 1.00 0.00 ATOM 397 CB LEU A 49 5.961 -4.538 -8.051 1.00 0.00 ATOM 398 CG LEU A 49 4.982 -4.397 -6.897 1.00 0.00 ATOM 399 CD1 LEU A 49 4.914 -5.763 -6.111 1.00 0.00 ATOM 400 CD2 LEU A 49 5.390 -3.197 -5.991 1.00 0.00 ATOM 401 O LEU A 49 8.004 -2.297 -9.460 1.00 0.00 ATOM 402 C LEU A 49 7.348 -3.326 -9.749 1.00 0.00 ATOM 403 N ALA A 50 7.826 -4.282 -10.528 1.00 0.00 ATOM 404 CA ALA A 50 9.167 -4.221 -11.103 1.00 0.00 ATOM 405 CB ALA A 50 9.475 -5.521 -11.896 1.00 0.00 ATOM 406 O ALA A 50 10.460 -2.448 -12.062 1.00 0.00 ATOM 407 C ALA A 50 9.359 -2.997 -12.014 1.00 0.00 ATOM 408 N VAL A 51 8.318 -2.592 -12.759 1.00 0.00 ATOM 409 CA VAL A 51 8.448 -1.501 -13.727 1.00 0.00 ATOM 410 CB VAL A 51 7.841 -1.849 -15.105 1.00 0.00 ATOM 411 CG1 VAL A 51 8.369 -3.169 -15.610 1.00 0.00 ATOM 412 CG2 VAL A 51 6.315 -1.873 -15.013 1.00 0.00 ATOM 413 O VAL A 51 8.202 0.896 -13.859 1.00 0.00 ATOM 414 C VAL A 51 7.871 -0.154 -13.269 1.00 0.00 ATOM 415 N LEU A 52 7.070 -0.113 -12.208 1.00 0.00 ATOM 416 CA LEU A 52 6.282 1.091 -12.053 1.00 0.00 ATOM 417 CB LEU A 52 5.106 0.889 -11.090 1.00 0.00 ATOM 418 CG LEU A 52 5.324 0.679 -9.586 1.00 0.00 ATOM 419 CD1 LEU A 52 5.706 1.993 -8.751 1.00 0.00 ATOM 420 CD2 LEU A 52 4.011 0.058 -9.041 1.00 0.00 ATOM 421 O LEU A 52 6.627 3.480 -11.974 1.00 0.00 ATOM 422 C LEU A 52 7.087 2.359 -11.704 1.00 0.00 ATOM 423 N LEU A 53 8.239 2.206 -11.047 1.00 0.00 ATOM 424 CA LEU A 53 8.989 3.412 -10.635 1.00 0.00 ATOM 425 CB LEU A 53 10.158 3.095 -9.704 1.00 0.00 ATOM 426 CG LEU A 53 9.875 2.684 -8.258 1.00 0.00 ATOM 427 CD1 LEU A 53 11.216 2.380 -7.560 1.00 0.00 ATOM 428 CD2 LEU A 53 9.093 3.768 -7.503 1.00 0.00 ATOM 429 O LEU A 53 9.522 5.376 -11.860 1.00 0.00 ATOM 430 C LEU A 53 9.457 4.153 -11.875 1.00 0.00 ATOM 431 N GLU A 54 9.734 3.427 -12.959 1.00 0.00 ATOM 432 CA GLU A 54 10.165 4.047 -14.226 1.00 0.00 ATOM 433 CB GLU A 54 11.096 3.085 -14.960 1.00 0.00 ATOM 434 CG GLU A 54 11.481 3.472 -16.343 1.00 0.00 ATOM 435 CD GLU A 54 12.562 2.590 -16.950 1.00 0.00 ATOM 436 OE1 GLU A 54 13.190 1.760 -16.239 1.00 0.00 ATOM 437 OE2 GLU A 54 12.787 2.725 -18.178 1.00 0.00 ATOM 438 O GLU A 54 8.896 5.571 -15.562 1.00 0.00 ATOM 439 C GLU A 54 8.951 4.457 -15.049 1.00 0.00 ATOM 440 N ALA A 55 7.956 3.569 -15.136 1.00 0.00 ATOM 441 CA ALA A 55 6.719 3.811 -15.870 1.00 0.00 ATOM 442 CB ALA A 55 5.680 2.596 -15.720 1.00 0.00 ATOM 443 O ALA A 55 5.814 5.990 -16.234 1.00 0.00 ATOM 444 C ALA A 55 6.110 5.116 -15.420 1.00 0.00 ATOM 445 N ASP A 56 5.951 5.292 -14.110 1.00 0.00 ATOM 446 CA ASP A 56 5.278 6.487 -13.655 1.00 0.00 ATOM 447 CB ASP A 56 5.024 6.458 -12.139 1.00 0.00 ATOM 448 CG ASP A 56 3.931 5.451 -11.723 1.00 0.00 ATOM 449 OD1 ASP A 56 3.475 4.565 -12.531 1.00 0.00 ATOM 450 OD2 ASP A 56 3.514 5.499 -10.530 1.00 0.00 ATOM 451 O ASP A 56 5.448 8.756 -14.307 1.00 0.00 ATOM 452 C ASP A 56 6.050 7.732 -14.023 1.00 0.00 ATOM 453 N LEU A 57 7.369 7.682 -13.986 1.00 0.00 ATOM 454 CA LEU A 57 8.144 8.879 -14.265 1.00 0.00 ATOM 455 CB LEU A 57 9.560 8.783 -13.667 1.00 0.00 ATOM 456 CG LEU A 57 9.618 8.855 -12.120 1.00 0.00 ATOM 457 CD1 LEU A 57 11.045 8.905 -11.677 1.00 0.00 ATOM 458 CD2 LEU A 57 8.877 10.034 -11.585 1.00 0.00 ATOM 459 O LEU A 57 8.235 10.341 -16.118 1.00 0.00 ATOM 460 C LEU A 57 8.179 9.179 -15.750 1.00 0.00 ATOM 461 N ARG A 58 8.117 8.146 -16.583 1.00 0.00 ATOM 462 CA ARG A 58 7.968 8.317 -18.028 1.00 0.00 ATOM 463 CB ARG A 58 8.115 6.956 -18.724 1.00 0.00 ATOM 464 CG ARG A 58 9.542 6.436 -18.743 1.00 0.00 ATOM 465 CD ARG A 58 9.795 5.210 -19.642 1.00 0.00 ATOM 466 NE ARG A 58 11.220 4.881 -19.593 1.00 0.00 ATOM 467 CZ ARG A 58 12.138 5.310 -20.451 1.00 0.00 ATOM 468 NH1 ARG A 58 11.806 6.042 -21.498 1.00 0.00 ATOM 469 NH2 ARG A 58 13.411 4.987 -20.262 1.00 0.00 ATOM 470 O ARG A 58 6.555 9.886 -19.210 1.00 0.00 ATOM 471 C ARG A 58 6.626 8.947 -18.375 1.00 0.00 ATOM 472 N ILE A 59 5.554 8.401 -17.807 1.00 0.00 ATOM 473 CA ILE A 59 4.240 9.024 -17.895 1.00 0.00 ATOM 474 CB ILE A 59 3.196 8.264 -17.030 1.00 0.00 ATOM 475 CG1 ILE A 59 2.819 6.942 -17.722 1.00 0.00 ATOM 476 CG2 ILE A 59 1.960 9.142 -16.725 1.00 0.00 ATOM 477 CD1 ILE A 59 2.387 5.826 -16.732 1.00 0.00 ATOM 478 O ILE A 59 3.688 11.338 -18.194 1.00 0.00 ATOM 479 C ILE A 59 4.319 10.513 -17.518 1.00 0.00 ATOM 480 N ALA A 60 5.059 10.814 -16.447 1.00 0.00 ATOM 481 CA ALA A 60 5.235 12.179 -15.875 1.00 0.00 ATOM 482 CB ALA A 60 6.019 12.109 -14.526 1.00 0.00 ATOM 483 O ALA A 60 5.644 14.371 -16.855 1.00 0.00 ATOM 484 C ALA A 60 5.937 13.162 -16.831 1.00 0.00 ATOM 485 N THR A 61 6.833 12.625 -17.652 1.00 0.00 ATOM 486 CA THR A 61 7.636 13.458 -18.537 1.00 0.00 ATOM 487 CB THR A 61 9.119 13.028 -18.504 1.00 0.00 ATOM 488 CG2 THR A 61 9.699 13.234 -17.086 1.00 0.00 ATOM 489 OG1 THR A 61 9.250 11.654 -18.821 1.00 0.00 ATOM 490 O THR A 61 7.647 14.198 -20.745 1.00 0.00 ATOM 491 C THR A 61 7.056 13.553 -19.913 1.00 0.00 ATOM 492 N GLY A 62 5.864 12.974 -20.130 1.00 0.00 ATOM 493 CA GLY A 62 5.094 13.183 -21.352 1.00 0.00 ATOM 494 O GLY A 62 4.781 12.160 -23.467 1.00 0.00 ATOM 495 C GLY A 62 5.013 11.983 -22.276 1.00 0.00 ATOM 496 N ALA A 63 5.198 10.760 -21.779 1.00 0.00 ATOM 497 CA ALA A 63 5.226 9.619 -22.698 1.00 0.00 ATOM 498 CB ALA A 63 5.648 8.306 -22.030 1.00 0.00 ATOM 499 O ALA A 63 2.855 9.768 -22.586 1.00 0.00 ATOM 500 C ALA A 63 3.842 9.496 -23.273 1.00 0.00 ATOM 501 N THR A 64 3.773 9.110 -24.540 1.00 0.00 ATOM 502 CA THR A 64 2.502 8.949 -25.184 1.00 0.00 ATOM 503 CB THR A 64 2.600 9.130 -26.719 1.00 0.00 ATOM 504 CG2 THR A 64 3.219 10.483 -27.032 1.00 0.00 ATOM 505 OG1 THR A 64 3.384 8.070 -27.296 1.00 0.00 ATOM 506 O THR A 64 2.549 6.715 -24.266 1.00 0.00 ATOM 507 C THR A 64 1.891 7.609 -24.831 1.00 0.00 ATOM 508 N ALA A 65 0.608 7.500 -25.153 1.00 0.00 ATOM 509 CA ALA A 65 -0.128 6.270 -24.974 1.00 0.00 ATOM 510 CB ALA A 65 -1.549 6.444 -25.419 1.00 0.00 ATOM 511 O ALA A 65 0.781 4.078 -25.092 1.00 0.00 ATOM 512 C ALA A 65 0.563 5.124 -25.707 1.00 0.00 ATOM 513 N ASP A 66 0.991 5.336 -26.957 1.00 0.00 ATOM 514 CA ASP A 66 1.684 4.285 -27.669 1.00 0.00 ATOM 515 CB ASP A 66 1.897 4.558 -29.146 1.00 0.00 ATOM 516 CG ASP A 66 2.303 3.277 -29.928 1.00 0.00 ATOM 517 OD1 ASP A 66 1.580 2.230 -29.850 1.00 0.00 ATOM 518 OD2 ASP A 66 3.324 3.348 -30.651 1.00 0.00 ATOM 519 O ASP A 66 3.415 2.811 -27.154 1.00 0.00 ATOM 520 C ASP A 66 3.017 3.959 -27.108 1.00 0.00 ATOM 521 N GLU A 67 3.731 4.957 -26.602 1.00 0.00 ATOM 522 CA GLU A 67 5.050 4.744 -26.037 1.00 0.00 ATOM 523 CB GLU A 67 5.709 6.096 -25.690 1.00 0.00 ATOM 524 CG GLU A 67 6.311 6.772 -26.941 1.00 0.00 ATOM 525 CD GLU A 67 6.896 8.184 -26.744 1.00 0.00 ATOM 526 OE1 GLU A 67 6.631 8.843 -25.737 1.00 0.00 ATOM 527 OE2 GLU A 67 7.598 8.642 -27.681 1.00 0.00 ATOM 528 O GLU A 67 5.724 2.982 -24.576 1.00 0.00 ATOM 529 C GLU A 67 4.916 3.879 -24.816 1.00 0.00 ATOM 530 N MET A 68 3.868 4.130 -24.041 1.00 0.00 ATOM 531 CA MET A 68 3.635 3.364 -22.839 1.00 0.00 ATOM 532 CB MET A 68 2.602 4.048 -21.913 1.00 0.00 ATOM 533 CG MET A 68 3.060 5.302 -21.226 1.00 0.00 ATOM 534 SD MET A 68 4.933 5.217 -20.526 1.00 0.00 ATOM 535 CE MET A 68 4.729 3.729 -19.243 1.00 0.00 ATOM 536 O MET A 68 3.569 1.016 -22.469 1.00 0.00 ATOM 537 C MET A 68 3.187 1.957 -23.169 1.00 0.00 ATOM 538 N ALA A 69 2.425 1.796 -24.257 1.00 0.00 ATOM 539 CA ALA A 69 1.984 0.489 -24.643 1.00 0.00 ATOM 540 CB ALA A 69 1.038 0.561 -25.839 1.00 0.00 ATOM 541 O ALA A 69 3.262 -1.508 -24.801 1.00 0.00 ATOM 542 C ALA A 69 3.197 -0.311 -25.033 1.00 0.00 ATOM 543 N GLN A 70 4.125 0.346 -25.706 1.00 0.00 ATOM 544 CA GLN A 70 5.334 -0.313 -26.159 1.00 0.00 ATOM 545 CB GLN A 70 6.111 0.613 -27.069 1.00 0.00 ATOM 546 CG GLN A 70 7.456 0.075 -27.460 1.00 0.00 ATOM 547 CD GLN A 70 8.111 0.887 -28.534 1.00 0.00 ATOM 548 OE1 GLN A 70 7.454 1.705 -29.239 1.00 0.00 ATOM 549 NE2 GLN A 70 9.419 0.656 -28.709 1.00 0.00 ATOM 550 O GLN A 70 6.789 -1.749 -24.971 1.00 0.00 ATOM 551 C GLN A 70 6.171 -0.693 -24.938 1.00 0.00 ATOM 552 N PHE A 71 6.117 0.133 -23.871 1.00 0.00 ATOM 553 CA PHE A 71 6.879 -0.049 -22.645 1.00 0.00 ATOM 554 CB PHE A 71 6.806 1.221 -21.742 1.00 0.00 ATOM 555 CG PHE A 71 7.510 1.081 -20.404 1.00 0.00 ATOM 556 CD1 PHE A 71 8.858 1.402 -20.258 1.00 0.00 ATOM 557 CD2 PHE A 71 6.818 0.683 -19.313 1.00 0.00 ATOM 558 CE1 PHE A 71 9.510 1.277 -19.022 1.00 0.00 ATOM 559 CE2 PHE A 71 7.457 0.539 -18.052 1.00 0.00 ATOM 560 CZ PHE A 71 8.795 0.840 -17.914 1.00 0.00 ATOM 561 O PHE A 71 7.072 -2.080 -21.455 1.00 0.00 ATOM 562 C PHE A 71 6.328 -1.223 -21.882 1.00 0.00 ATOM 563 N TYR A 72 5.010 -1.250 -21.710 1.00 0.00 ATOM 564 CA TYR A 72 4.371 -2.309 -20.980 1.00 0.00 ATOM 565 CB TYR A 72 2.911 -1.963 -20.685 1.00 0.00 ATOM 566 CG TYR A 72 2.718 -0.822 -19.726 1.00 0.00 ATOM 567 CD1 TYR A 72 3.386 -0.790 -18.506 1.00 0.00 ATOM 568 CD2 TYR A 72 1.868 0.231 -20.026 1.00 0.00 ATOM 569 CE1 TYR A 72 3.200 0.239 -17.611 1.00 0.00 ATOM 570 CE2 TYR A 72 1.694 1.285 -19.131 1.00 0.00 ATOM 571 CZ TYR A 72 2.361 1.277 -17.935 1.00 0.00 ATOM 572 OH TYR A 72 2.191 2.285 -17.019 1.00 0.00 ATOM 573 O TYR A 72 4.396 -4.653 -21.044 1.00 0.00 ATOM 574 C TYR A 72 4.444 -3.623 -21.691 1.00 0.00 ATOM 575 N ALA A 73 4.557 -3.600 -23.016 1.00 0.00 ATOM 576 CA ALA A 73 4.628 -4.825 -23.791 1.00 0.00 ATOM 577 CB ALA A 73 4.203 -4.576 -25.278 1.00 0.00 ATOM 578 O ALA A 73 6.063 -6.663 -24.180 1.00 0.00 ATOM 579 C ALA A 73 5.979 -5.532 -23.741 1.00 0.00 ATOM 580 N VAL A 74 7.036 -4.899 -23.244 1.00 0.00 ATOM 581 CA VAL A 74 8.322 -5.603 -23.195 1.00 0.00 ATOM 582 CB VAL A 74 9.543 -4.647 -23.065 1.00 0.00 ATOM 583 CG1 VAL A 74 10.810 -5.433 -22.764 1.00 0.00 ATOM 584 CG2 VAL A 74 9.751 -3.894 -24.387 1.00 0.00 ATOM 585 O VAL A 74 7.900 -6.352 -20.947 1.00 0.00 ATOM 586 C VAL A 74 8.222 -6.666 -22.083 1.00 0.00 ATOM 587 N PRO A 75 8.396 -7.946 -22.438 1.00 0.00 ATOM 588 CA PRO A 75 8.159 -9.000 -21.458 1.00 0.00 ATOM 589 CB PRO A 75 8.217 -10.285 -22.289 1.00 0.00 ATOM 590 CG PRO A 75 8.955 -9.931 -23.515 1.00 0.00 ATOM 591 CD PRO A 75 8.793 -8.477 -23.753 1.00 0.00 ATOM 592 O PRO A 75 10.384 -8.918 -20.574 1.00 0.00 ATOM 593 C PRO A 75 9.201 -9.044 -20.329 1.00 0.00 ATOM 594 N VAL A 76 8.736 -9.207 -19.103 1.00 0.00 ATOM 595 CA VAL A 76 9.638 -9.413 -17.978 1.00 0.00 ATOM 596 CB VAL A 76 9.452 -8.394 -16.875 1.00 0.00 ATOM 597 CG1 VAL A 76 10.522 -8.598 -15.825 1.00 0.00 ATOM 598 CG2 VAL A 76 9.562 -6.995 -17.420 1.00 0.00 ATOM 599 O VAL A 76 8.384 -11.064 -16.822 1.00 0.00 ATOM 600 C VAL A 76 9.386 -10.806 -17.466 1.00 0.00 ATOM 601 N LEU A 77 10.291 -11.717 -17.797 1.00 0.00 ATOM 602 CA LEU A 77 10.156 -13.098 -17.372 1.00 0.00 ATOM 603 CB LEU A 77 11.071 -13.990 -18.209 1.00 0.00 ATOM 604 CG LEU A 77 10.785 -14.002 -19.711 1.00 0.00 ATOM 605 CD1 LEU A 77 11.888 -14.791 -20.427 1.00 0.00 ATOM 606 CD2 LEU A 77 9.392 -14.588 -19.998 1.00 0.00 ATOM 607 O LEU A 77 11.219 -12.411 -15.332 1.00 0.00 ATOM 608 C LEU A 77 10.468 -13.227 -15.877 1.00 0.00 ATOM 609 N PRO A 78 9.877 -14.226 -15.200 1.00 0.00 ATOM 610 CA PRO A 78 10.043 -14.348 -13.754 1.00 0.00 ATOM 611 CB PRO A 78 9.453 -15.720 -13.466 1.00 0.00 ATOM 612 CG PRO A 78 8.424 -15.893 -14.516 1.00 0.00 ATOM 613 CD PRO A 78 9.005 -15.280 -15.732 1.00 0.00 ATOM 614 O PRO A 78 11.743 -13.672 -12.193 1.00 0.00 ATOM 615 C PRO A 78 11.490 -14.258 -13.251 1.00 0.00 ATOM 616 N GLU A 79 12.429 -14.799 -14.013 1.00 0.00 ATOM 617 CA GLU A 79 13.844 -14.793 -13.631 1.00 0.00 ATOM 618 CB GLU A 79 14.609 -15.906 -14.379 1.00 0.00 ATOM 619 CG GLU A 79 14.608 -15.780 -15.910 1.00 0.00 ATOM 620 CD GLU A 79 13.500 -16.595 -16.621 1.00 0.00 ATOM 621 OE1 GLU A 79 12.346 -16.687 -16.111 1.00 0.00 ATOM 622 OE2 GLU A 79 13.800 -17.128 -17.721 1.00 0.00 ATOM 623 O GLU A 79 15.621 -13.222 -13.308 1.00 0.00 ATOM 624 C GLU A 79 14.532 -13.435 -13.821 1.00 0.00 ATOM 625 N GLN A 80 13.910 -12.515 -14.555 1.00 0.00 ATOM 626 CA GLN A 80 14.477 -11.168 -14.732 1.00 0.00 ATOM 627 CB GLN A 80 14.312 -10.723 -16.170 1.00 0.00 ATOM 628 CG GLN A 80 14.941 -11.656 -17.181 1.00 0.00 ATOM 629 CD GLN A 80 14.259 -11.596 -18.546 1.00 0.00 ATOM 630 OE1 GLN A 80 13.079 -11.221 -18.672 1.00 0.00 ATOM 631 NE2 GLN A 80 15.003 -11.989 -19.581 1.00 0.00 ATOM 632 O GLN A 80 14.215 -8.943 -13.877 1.00 0.00 ATOM 633 C GLN A 80 13.839 -10.104 -13.825 1.00 0.00 ATOM 634 N LEU A 81 12.883 -10.510 -12.999 1.00 0.00 ATOM 635 CA LEU A 81 12.089 -9.560 -12.208 1.00 0.00 ATOM 636 CB LEU A 81 10.974 -10.268 -11.424 1.00 0.00 ATOM 637 CG LEU A 81 9.724 -10.539 -12.252 1.00 0.00 ATOM 638 CD1 LEU A 81 8.763 -11.379 -11.463 1.00 0.00 ATOM 639 CD2 LEU A 81 9.078 -9.211 -12.640 1.00 0.00 ATOM 640 O LEU A 81 12.773 -7.508 -11.253 1.00 0.00 ATOM 641 C LEU A 81 12.936 -8.728 -11.295 1.00 0.00 ATOM 642 N VAL A 82 13.841 -9.349 -10.548 1.00 0.00 ATOM 643 CA VAL A 82 14.680 -8.561 -9.640 1.00 0.00 ATOM 644 CB VAL A 82 15.536 -9.426 -8.699 1.00 0.00 ATOM 645 CG1 VAL A 82 16.556 -8.545 -7.946 1.00 0.00 ATOM 646 CG2 VAL A 82 14.640 -10.155 -7.725 1.00 0.00 ATOM 647 O VAL A 82 15.653 -6.423 -10.085 1.00 0.00 ATOM 648 C VAL A 82 15.542 -7.600 -10.438 1.00 0.00 ATOM 649 N ASP A 83 16.165 -8.097 -11.499 1.00 0.00 ATOM 650 CA ASP A 83 17.005 -7.272 -12.364 1.00 0.00 ATOM 651 CB ASP A 83 17.511 -8.064 -13.569 1.00 0.00 ATOM 652 CG ASP A 83 18.638 -9.035 -13.217 1.00 0.00 ATOM 653 OD1 ASP A 83 19.150 -8.980 -12.063 1.00 0.00 ATOM 654 OD2 ASP A 83 19.018 -9.849 -14.103 1.00 0.00 ATOM 655 O ASP A 83 16.766 -4.980 -12.932 1.00 0.00 ATOM 656 C ASP A 83 16.229 -6.080 -12.861 1.00 0.00 ATOM 657 N ARG A 84 14.960 -6.308 -13.194 1.00 0.00 ATOM 658 CA ARG A 84 14.083 -5.256 -13.694 1.00 0.00 ATOM 659 CB ARG A 84 12.800 -5.867 -14.328 1.00 0.00 ATOM 660 CG ARG A 84 12.003 -4.873 -15.173 1.00 0.00 ATOM 661 CD ARG A 84 12.977 -4.165 -16.104 1.00 0.00 ATOM 662 NE ARG A 84 12.384 -3.237 -17.039 1.00 0.00 ATOM 663 CZ ARG A 84 12.300 -1.920 -16.875 1.00 0.00 ATOM 664 NH1 ARG A 84 12.787 -1.291 -15.778 1.00 0.00 ATOM 665 NH2 ARG A 84 11.707 -1.219 -17.850 1.00 0.00 ATOM 666 O ARG A 84 13.767 -3.040 -12.919 1.00 0.00 ATOM 667 C ARG A 84 13.714 -4.215 -12.650 1.00 0.00 ATOM 668 N LEU A 85 13.341 -4.660 -11.463 1.00 0.00 ATOM 669 CA LEU A 85 13.139 -3.778 -10.323 1.00 0.00 ATOM 670 CB LEU A 85 12.819 -4.647 -9.101 1.00 0.00 ATOM 671 CG LEU A 85 12.626 -3.968 -7.733 1.00 0.00 ATOM 672 CD1 LEU A 85 11.550 -2.860 -7.787 1.00 0.00 ATOM 673 CD2 LEU A 85 12.305 -5.072 -6.695 1.00 0.00 ATOM 674 O LEU A 85 14.299 -1.630 -9.824 1.00 0.00 ATOM 675 C LEU A 85 14.391 -2.867 -10.070 1.00 0.00 ATOM 676 N ASP A 86 15.563 -3.476 -10.127 1.00 0.00 ATOM 677 CA ASP A 86 16.796 -2.756 -9.889 1.00 0.00 ATOM 678 CB ASP A 86 17.990 -3.720 -9.903 1.00 0.00 ATOM 679 CG ASP A 86 18.039 -4.656 -8.665 1.00 0.00 ATOM 680 OD1 ASP A 86 17.129 -4.618 -7.804 1.00 0.00 ATOM 681 OD2 ASP A 86 19.007 -5.456 -8.557 1.00 0.00 ATOM 682 O ASP A 86 17.480 -0.540 -10.564 1.00 0.00 ATOM 683 C ASP A 86 17.015 -1.645 -10.905 1.00 0.00 ATOM 684 N GLN A 87 16.733 -1.965 -12.161 1.00 0.00 ATOM 685 CA GLN A 87 16.793 -1.001 -13.238 1.00 0.00 ATOM 686 CB GLN A 87 16.447 -1.714 -14.527 1.00 0.00 ATOM 687 CG GLN A 87 16.423 -0.873 -15.750 1.00 0.00 ATOM 688 CD GLN A 87 16.201 -1.727 -17.021 1.00 0.00 ATOM 689 OE1 GLN A 87 16.686 -2.879 -17.128 1.00 0.00 ATOM 690 NE2 GLN A 87 15.452 -1.168 -17.979 1.00 0.00 ATOM 691 O GLN A 87 16.220 1.319 -13.209 1.00 0.00 ATOM 692 C GLN A 87 15.838 0.162 -13.034 1.00 0.00 ATOM 693 N SER A 88 14.588 -0.150 -12.656 1.00 0.00 ATOM 694 CA SER A 88 13.582 0.875 -12.346 1.00 0.00 ATOM 695 CB SER A 88 12.213 0.228 -12.063 1.00 0.00 ATOM 696 OG SER A 88 11.824 -0.530 -13.192 1.00 0.00 ATOM 697 O SER A 88 13.859 2.963 -11.191 1.00 0.00 ATOM 698 C SER A 88 14.014 1.756 -11.165 1.00 0.00 ATOM 699 N TRP A 89 14.574 1.135 -10.147 1.00 0.00 ATOM 700 CA TRP A 89 15.030 1.872 -8.954 1.00 0.00 ATOM 701 CB TRP A 89 15.425 0.856 -7.877 1.00 0.00 ATOM 702 CG TRP A 89 16.130 1.333 -6.709 1.00 0.00 ATOM 703 CD1 TRP A 89 17.218 0.741 -6.174 1.00 0.00 ATOM 704 CD2 TRP A 89 15.821 2.454 -5.865 1.00 0.00 ATOM 705 CE2 TRP A 89 16.799 2.480 -4.855 1.00 0.00 ATOM 706 CE3 TRP A 89 14.842 3.461 -5.875 1.00 0.00 ATOM 707 NE1 TRP A 89 17.626 1.409 -5.064 1.00 0.00 ATOM 708 CZ2 TRP A 89 16.823 3.450 -3.853 1.00 0.00 ATOM 709 CZ3 TRP A 89 14.870 4.440 -4.862 1.00 0.00 ATOM 710 CH2 TRP A 89 15.872 4.422 -3.877 1.00 0.00 ATOM 711 O TRP A 89 16.260 3.949 -8.828 1.00 0.00 ATOM 712 C TRP A 89 16.181 2.836 -9.331 1.00 0.00 ATOM 713 N GLN A 90 17.060 2.401 -10.230 1.00 0.00 ATOM 714 CA GLN A 90 18.159 3.258 -10.696 1.00 0.00 ATOM 715 CB GLN A 90 19.127 2.458 -11.575 1.00 0.00 ATOM 716 CG GLN A 90 20.393 3.225 -11.902 1.00 0.00 ATOM 717 CD GLN A 90 21.141 3.616 -10.635 1.00 0.00 ATOM 718 OE1 GLN A 90 21.498 2.753 -9.821 1.00 0.00 ATOM 719 NE2 GLN A 90 21.342 4.923 -10.443 1.00 0.00 ATOM 720 O GLN A 90 18.110 5.580 -11.344 1.00 0.00 ATOM 721 C GLN A 90 17.624 4.455 -11.476 1.00 0.00 ATOM 722 N TYR A 91 16.605 4.210 -12.294 1.00 0.00 ATOM 723 CA TYR A 91 16.012 5.248 -13.101 1.00 0.00 ATOM 724 CB TYR A 91 14.909 4.648 -13.971 1.00 0.00 ATOM 725 CG TYR A 91 14.317 5.591 -14.979 1.00 0.00 ATOM 726 CD1 TYR A 91 13.329 6.488 -14.605 1.00 0.00 ATOM 727 CD2 TYR A 91 14.752 5.600 -16.300 1.00 0.00 ATOM 728 CE1 TYR A 91 12.765 7.365 -15.506 1.00 0.00 ATOM 729 CE2 TYR A 91 14.175 6.467 -17.230 1.00 0.00 ATOM 730 CZ TYR A 91 13.184 7.354 -16.814 1.00 0.00 ATOM 731 OH TYR A 91 12.614 8.230 -17.696 1.00 0.00 ATOM 732 O TYR A 91 15.611 7.526 -12.375 1.00 0.00 ATOM 733 C TYR A 91 15.415 6.299 -12.171 1.00 0.00 ATOM 734 N TYR A 92 14.682 5.801 -11.181 1.00 0.00 ATOM 735 CA TYR A 92 14.055 6.657 -10.183 1.00 0.00 ATOM 736 CB TYR A 92 13.219 5.824 -9.220 1.00 0.00 ATOM 737 CG TYR A 92 12.430 6.634 -8.156 1.00 0.00 ATOM 738 CD1 TYR A 92 12.993 6.941 -6.915 1.00 0.00 ATOM 739 CD2 TYR A 92 11.127 7.070 -8.405 1.00 0.00 ATOM 740 CE1 TYR A 92 12.279 7.641 -5.959 1.00 0.00 ATOM 741 CE2 TYR A 92 10.403 7.784 -7.446 1.00 0.00 ATOM 742 CZ TYR A 92 10.994 8.079 -6.230 1.00 0.00 ATOM 743 OH TYR A 92 10.299 8.801 -5.294 1.00 0.00 ATOM 744 O TYR A 92 14.958 8.686 -9.236 1.00 0.00 ATOM 745 C TYR A 92 15.123 7.490 -9.436 1.00 0.00 ATOM 746 N GLN A 93 16.183 6.839 -9.002 1.00 0.00 ATOM 747 CA GLN A 93 17.209 7.549 -8.235 1.00 0.00 ATOM 748 CB GLN A 93 18.306 6.610 -7.772 1.00 0.00 ATOM 749 CG GLN A 93 17.888 5.684 -6.677 1.00 0.00 ATOM 750 CD GLN A 93 19.021 4.775 -6.291 1.00 0.00 ATOM 751 OE1 GLN A 93 19.066 3.596 -6.681 1.00 0.00 ATOM 752 NE2 GLN A 93 19.978 5.327 -5.570 1.00 0.00 ATOM 753 O GLN A 93 18.131 9.738 -8.549 1.00 0.00 ATOM 754 C GLN A 93 17.825 8.653 -9.057 1.00 0.00 ATOM 755 N ASP A 94 18.010 8.408 -10.347 1.00 0.00 ATOM 756 CA ASP A 94 18.603 9.433 -11.182 1.00 0.00 ATOM 757 CB ASP A 94 18.899 8.849 -12.552 1.00 0.00 ATOM 758 CG ASP A 94 19.976 7.757 -12.516 1.00 0.00 ATOM 759 OD1 ASP A 94 20.639 7.561 -11.451 1.00 0.00 ATOM 760 OD2 ASP A 94 20.160 7.102 -13.579 1.00 0.00 ATOM 761 O ASP A 94 18.132 11.780 -11.332 1.00 0.00 ATOM 762 C ASP A 94 17.679 10.641 -11.348 1.00 0.00 ATOM 763 N ARG A 95 16.381 10.385 -11.516 1.00 0.00 ATOM 764 CA ARG A 95 15.388 11.467 -11.613 1.00 0.00 ATOM 765 CB ARG A 95 14.042 10.934 -12.108 1.00 0.00 ATOM 766 CG ARG A 95 14.053 10.379 -13.555 1.00 0.00 ATOM 767 CD ARG A 95 15.172 10.955 -14.386 1.00 0.00 ATOM 768 NE ARG A 95 15.290 10.381 -15.725 1.00 0.00 ATOM 769 CZ ARG A 95 15.820 9.194 -16.038 1.00 0.00 ATOM 770 NH1 ARG A 95 16.258 8.350 -15.117 1.00 0.00 ATOM 771 NH2 ARG A 95 15.890 8.845 -17.319 1.00 0.00 ATOM 772 O ARG A 95 15.018 13.425 -10.179 1.00 0.00 ATOM 773 C ARG A 95 15.242 12.198 -10.259 1.00 0.00 ATOM 774 N LEU A 96 15.389 11.426 -9.207 1.00 0.00 ATOM 775 CA LEU A 96 15.230 11.943 -7.859 1.00 0.00 ATOM 776 CB LEU A 96 15.417 10.829 -6.837 1.00 0.00 ATOM 777 CG LEU A 96 15.325 11.166 -5.336 1.00 0.00 ATOM 778 CD1 LEU A 96 13.970 11.816 -5.018 1.00 0.00 ATOM 779 CD2 LEU A 96 15.554 9.930 -4.487 1.00 0.00 ATOM 780 O LEU A 96 15.839 14.083 -7.098 1.00 0.00 ATOM 781 C LEU A 96 16.202 13.059 -7.627 1.00 0.00 ATOM 782 N MET A 97 17.426 12.871 -8.088 1.00 0.00 ATOM 783 CA MET A 97 18.491 13.805 -7.815 1.00 0.00 ATOM 784 CB MET A 97 19.803 13.045 -7.728 1.00 0.00 ATOM 785 CG MET A 97 19.741 11.926 -6.700 1.00 0.00 ATOM 786 SD MET A 97 19.366 12.559 -4.843 1.00 0.00 ATOM 787 CE MET A 97 18.987 10.766 -3.926 1.00 0.00 ATOM 788 O MET A 97 19.000 16.013 -8.521 1.00 0.00 ATOM 789 C MET A 97 18.586 14.922 -8.843 1.00 0.00 ATOM 790 N ALA A 98 18.152 14.669 -10.062 1.00 0.00 ATOM 791 CA ALA A 98 18.228 15.654 -11.136 1.00 0.00 ATOM 792 CB ALA A 98 18.590 14.942 -12.392 1.00 0.00 ATOM 793 O ALA A 98 15.820 15.809 -11.378 1.00 0.00 ATOM 794 C ALA A 98 16.900 16.411 -11.337 1.00 0.00 ATOM 795 N ASP A 99 16.974 17.732 -11.479 1.00 0.00 ATOM 796 CA ASP A 99 15.787 18.526 -11.861 1.00 0.00 ATOM 797 CB ASP A 99 16.115 20.042 -11.941 1.00 0.00 ATOM 798 CG ASP A 99 14.994 20.863 -12.599 1.00 0.00 ATOM 799 O ASP A 99 15.881 18.361 -14.262 1.00 0.00 ATOM 800 C ASP A 99 15.270 18.040 -13.221 1.00 0.00 ATOM 801 N PHE A 100 14.178 17.264 -13.227 1.00 0.00 ATOM 802 CA PHE A 100 13.515 16.945 -14.494 1.00 0.00 ATOM 803 CB PHE A 100 13.292 15.431 -14.656 1.00 0.00 ATOM 804 CG PHE A 100 12.239 14.847 -13.767 1.00 0.00 ATOM 805 CD1 PHE A 100 12.555 14.403 -12.493 1.00 0.00 ATOM 806 CD2 PHE A 100 10.942 14.690 -14.225 1.00 0.00 ATOM 807 CE1 PHE A 100 11.575 13.827 -11.682 1.00 0.00 ATOM 808 CE2 PHE A 100 9.966 14.128 -13.424 1.00 0.00 ATOM 809 CZ PHE A 100 10.283 13.699 -12.146 1.00 0.00 ATOM 810 O PHE A 100 11.766 18.466 -13.814 1.00 0.00 ATOM 811 C PHE A 100 12.251 17.809 -14.727 1.00 0.00 ATOM 812 N SER A 101 11.781 17.858 -15.967 1.00 0.00 ATOM 813 CA SER A 101 10.587 18.630 -16.312 1.00 0.00 ATOM 814 CB SER A 101 10.778 19.424 -17.623 1.00 0.00 ATOM 815 O SER A 101 9.498 16.656 -17.136 1.00 0.00 ATOM 816 C SER A 101 9.406 17.675 -16.453 1.00 0.00 ATOM 817 N THR A 102 8.298 18.010 -15.808 1.00 0.00 ATOM 818 CA THR A 102 7.058 17.245 -15.977 1.00 0.00 ATOM 819 CB THR A 102 6.264 17.053 -14.652 1.00 0.00 ATOM 820 CG2 THR A 102 7.052 16.207 -13.679 1.00 0.00 ATOM 821 OG1 THR A 102 5.978 18.324 -14.050 1.00 0.00 ATOM 822 O THR A 102 6.322 19.134 -17.267 1.00 0.00 ATOM 823 C THR A 102 6.181 17.941 -16.994 1.00 0.00 ATOM 824 N GLU A 103 5.300 17.157 -17.576 1.00 0.00 ATOM 825 CA GLU A 103 4.319 17.618 -18.527 1.00 0.00 ATOM 826 CB GLU A 103 4.720 17.175 -19.933 1.00 0.00 ATOM 827 CG GLU A 103 6.137 17.622 -20.354 1.00 0.00 ATOM 828 O GLU A 103 2.900 15.967 -17.459 1.00 0.00 ATOM 829 C GLU A 103 2.971 16.997 -18.152 1.00 0.00 ATOM 830 N THR A 104 1.895 17.613 -18.618 1.00 0.00 ATOM 831 CA THR A 104 0.562 17.032 -18.422 1.00 0.00 ATOM 832 CB THR A 104 -0.517 17.956 -19.000 1.00 0.00 ATOM 833 CG2 THR A 104 -1.910 17.314 -18.911 1.00 0.00 ATOM 834 OG1 THR A 104 -0.468 19.217 -18.299 1.00 0.00 ATOM 835 O THR A 104 1.018 15.533 -20.229 1.00 0.00 ATOM 836 C THR A 104 0.535 15.674 -19.103 1.00 0.00 ATOM 837 N THR A 105 0.001 14.667 -18.424 1.00 0.00 ATOM 838 CA THR A 105 0.012 13.317 -18.967 1.00 0.00 ATOM 839 CB THR A 105 -0.374 12.222 -17.923 1.00 0.00 ATOM 840 CG2 THR A 105 0.315 12.473 -16.602 1.00 0.00 ATOM 841 OG1 THR A 105 -1.805 12.155 -17.743 1.00 0.00 ATOM 842 O THR A 105 -1.674 14.192 -20.502 1.00 0.00 ATOM 843 C THR A 105 -0.910 13.245 -20.196 1.00 0.00 ATOM 844 N TYR A 106 -0.833 12.127 -20.899 1.00 0.00 ATOM 845 CA TYR A 106 -1.580 12.001 -22.163 1.00 0.00 ATOM 846 CB TYR A 106 -1.035 10.856 -23.030 1.00 0.00 ATOM 847 CG TYR A 106 -1.187 9.482 -22.442 1.00 0.00 ATOM 848 CD1 TYR A 106 -0.215 8.947 -21.591 1.00 0.00 ATOM 849 CD2 TYR A 106 -2.288 8.705 -22.750 1.00 0.00 ATOM 850 CE1 TYR A 106 -0.345 7.680 -21.048 1.00 0.00 ATOM 851 CE2 TYR A 106 -2.424 7.446 -22.226 1.00 0.00 ATOM 852 CZ TYR A 106 -1.454 6.933 -21.378 1.00 0.00 ATOM 853 OH TYR A 106 -1.594 5.669 -20.863 1.00 0.00 ATOM 854 O TYR A 106 -3.924 12.385 -22.656 1.00 0.00 ATOM 855 C TYR A 106 -3.090 11.869 -21.895 1.00 0.00 ATOM 856 N TRP A 107 -3.428 11.206 -20.793 1.00 0.00 ATOM 857 CA TRP A 107 -4.803 11.199 -20.299 1.00 0.00 ATOM 858 CB TRP A 107 -5.099 9.871 -19.585 1.00 0.00 ATOM 859 CG TRP A 107 -4.641 9.822 -18.179 1.00 0.00 ATOM 860 CD1 TRP A 107 -5.263 10.373 -17.098 1.00 0.00 ATOM 861 CD2 TRP A 107 -3.465 9.182 -17.685 1.00 0.00 ATOM 862 CE2 TRP A 107 -3.442 9.378 -16.290 1.00 0.00 ATOM 863 CE3 TRP A 107 -2.429 8.463 -18.285 1.00 0.00 ATOM 864 NE1 TRP A 107 -4.551 10.114 -15.965 1.00 0.00 ATOM 865 CZ2 TRP A 107 -2.417 8.878 -15.473 1.00 0.00 ATOM 866 CZ3 TRP A 107 -1.410 7.973 -17.481 1.00 0.00 ATOM 867 CH2 TRP A 107 -1.411 8.187 -16.080 1.00 0.00 ATOM 868 O TRP A 107 -6.272 12.582 -18.967 1.00 0.00 ATOM 869 C TRP A 107 -5.130 12.430 -19.400 1.00 0.00 ATOM 870 N GLY A 108 -4.134 13.281 -19.108 1.00 0.00 ATOM 871 CA GLY A 108 -4.379 14.659 -18.638 1.00 0.00 ATOM 872 O GLY A 108 -4.565 16.034 -16.675 1.00 0.00 ATOM 873 C GLY A 108 -4.128 14.976 -17.157 1.00 0.00 ATOM 874 N VAL A 109 -3.417 14.116 -16.428 1.00 0.00 ATOM 875 CA VAL A 109 -3.078 14.462 -15.024 1.00 0.00 ATOM 876 CB VAL A 109 -2.816 13.276 -14.157 1.00 0.00 ATOM 877 CG1 VAL A 109 -2.233 13.734 -12.804 1.00 0.00 ATOM 878 CG2 VAL A 109 -4.099 12.532 -13.933 1.00 0.00 ATOM 879 O VAL A 109 -0.910 15.136 -15.767 1.00 0.00 ATOM 880 C VAL A 109 -1.871 15.371 -15.012 1.00 0.00 ATOM 881 N THR A 110 -1.980 16.450 -14.229 1.00 0.00 ATOM 882 CA THR A 110 -0.900 17.412 -14.043 1.00 0.00 ATOM 883 CB THR A 110 -1.372 18.831 -14.374 1.00 0.00 ATOM 884 CG2 THR A 110 -0.186 19.780 -14.430 1.00 0.00 ATOM 885 OG1 THR A 110 -2.048 18.826 -15.656 1.00 0.00 ATOM 886 O THR A 110 -1.197 17.269 -11.665 1.00 0.00 ATOM 887 C THR A 110 -0.397 17.361 -12.587 1.00 0.00 ATOM 888 N ASP A 111 0.919 17.373 -12.391 1.00 0.00 ATOM 889 CA ASP A 111 1.518 17.394 -11.032 1.00 0.00 ATOM 890 CB ASP A 111 1.477 15.993 -10.392 1.00 0.00 ATOM 891 CG ASP A 111 1.633 16.001 -8.844 1.00 0.00 ATOM 892 OD1 ASP A 111 1.892 17.092 -8.242 1.00 0.00 ATOM 893 OD2 ASP A 111 1.470 14.869 -8.293 1.00 0.00 ATOM 894 O ASP A 111 3.490 17.865 -12.300 1.00 0.00 ATOM 895 C ASP A 111 2.931 17.894 -11.195 1.00 0.00 ATOM 896 N SER A 112 3.487 18.405 -10.099 1.00 0.00 ATOM 897 CA SER A 112 4.872 18.849 -10.044 1.00 0.00 ATOM 898 CB SER A 112 5.103 19.612 -8.754 1.00 0.00 ATOM 899 OG SER A 112 4.966 18.770 -7.636 1.00 0.00 ATOM 900 O SER A 112 5.430 16.540 -9.945 1.00 0.00 ATOM 901 C SER A 112 5.840 17.678 -10.096 1.00 0.00 ATOM 902 N THR A 113 7.119 17.954 -10.342 1.00 0.00 ATOM 903 CA THR A 113 8.186 16.944 -10.252 1.00 0.00 ATOM 904 CB THR A 113 9.587 17.606 -10.498 1.00 0.00 ATOM 905 CG2 THR A 113 10.684 16.571 -10.600 1.00 0.00 ATOM 906 OG1 THR A 113 9.567 18.372 -11.712 1.00 0.00 ATOM 907 O THR A 113 8.231 15.039 -8.742 1.00 0.00 ATOM 908 C THR A 113 8.162 16.268 -8.876 1.00 0.00 ATOM 909 N THR A 114 8.050 17.090 -7.838 1.00 0.00 ATOM 910 CA THR A 114 8.036 16.545 -6.466 1.00 0.00 ATOM 911 CB THR A 114 8.156 17.692 -5.430 1.00 0.00 ATOM 912 CG2 THR A 114 8.385 17.172 -4.181 1.00 0.00 ATOM 913 OG1 THR A 114 9.294 18.477 -5.800 1.00 0.00 ATOM 914 O THR A 114 6.859 14.617 -5.597 1.00 0.00 ATOM 915 C THR A 114 6.794 15.688 -6.209 1.00 0.00 ATOM 916 N GLY A 115 5.643 16.130 -6.700 1.00 0.00 ATOM 917 CA GLY A 115 4.439 15.319 -6.631 1.00 0.00 ATOM 918 O GLY A 115 4.108 12.981 -6.824 1.00 0.00 ATOM 919 C GLY A 115 4.506 13.997 -7.368 1.00 0.00 ATOM 920 N TRP A 116 5.071 13.972 -8.556 1.00 0.00 ATOM 921 CA TRP A 116 5.250 12.719 -9.272 1.00 0.00 ATOM 922 CB TRP A 116 5.703 12.970 -10.728 1.00 0.00 ATOM 923 CG TRP A 116 4.565 13.352 -11.651 1.00 0.00 ATOM 924 CD1 TRP A 116 4.353 14.566 -12.260 1.00 0.00 ATOM 925 CD2 TRP A 116 3.477 12.499 -12.060 1.00 0.00 ATOM 926 CE2 TRP A 116 2.637 13.266 -12.902 1.00 0.00 ATOM 927 CE3 TRP A 116 3.136 11.175 -11.783 1.00 0.00 ATOM 928 NE1 TRP A 116 3.192 14.510 -13.017 1.00 0.00 ATOM 929 CZ2 TRP A 116 1.493 12.746 -13.475 1.00 0.00 ATOM 930 CZ3 TRP A 116 1.985 10.651 -12.377 1.00 0.00 ATOM 931 CH2 TRP A 116 1.196 11.452 -13.222 1.00 0.00 ATOM 932 O TRP A 116 5.973 10.549 -8.567 1.00 0.00 ATOM 933 C TRP A 116 6.203 11.748 -8.589 1.00 0.00 ATOM 934 N LEU A 117 7.297 12.259 -8.054 1.00 0.00 ATOM 935 CA LEU A 117 8.193 11.437 -7.275 1.00 0.00 ATOM 936 CB LEU A 117 9.410 12.247 -6.906 1.00 0.00 ATOM 937 CG LEU A 117 10.410 12.586 -8.003 1.00 0.00 ATOM 938 CD1 LEU A 117 11.403 13.726 -7.653 1.00 0.00 ATOM 939 CD2 LEU A 117 11.114 11.344 -8.567 1.00 0.00 ATOM 940 O LEU A 117 7.712 9.658 -5.722 1.00 0.00 ATOM 941 C LEU A 117 7.510 10.834 -6.042 1.00 0.00 ATOM 942 N LEU A 118 6.667 11.617 -5.382 1.00 0.00 ATOM 943 CA LEU A 118 5.872 11.054 -4.282 1.00 0.00 ATOM 944 CB LEU A 118 5.216 12.152 -3.440 1.00 0.00 ATOM 945 CG LEU A 118 4.240 11.731 -2.321 1.00 0.00 ATOM 946 CD1 LEU A 118 4.904 10.765 -1.330 1.00 0.00 ATOM 947 CD2 LEU A 118 3.722 13.008 -1.629 1.00 0.00 ATOM 948 O LEU A 118 4.572 9.007 -4.157 1.00 0.00 ATOM 949 C LEU A 118 4.807 10.062 -4.797 1.00 0.00 ATOM 950 N GLU A 119 4.161 10.343 -5.940 1.00 0.00 ATOM 951 CA GLU A 119 3.138 9.457 -6.473 1.00 0.00 ATOM 952 CB GLU A 119 2.533 10.045 -7.749 1.00 0.00 ATOM 953 CG GLU A 119 1.324 9.296 -8.351 1.00 0.00 ATOM 954 CD GLU A 119 1.696 7.973 -9.045 1.00 0.00 ATOM 955 OE1 GLU A 119 2.824 7.881 -9.568 1.00 0.00 ATOM 956 OE2 GLU A 119 0.880 7.022 -9.097 1.00 0.00 ATOM 957 O GLU A 119 3.068 7.086 -6.446 1.00 0.00 ATOM 958 C GLU A 119 3.710 8.084 -6.743 1.00 0.00 ATOM 959 N ALA A 120 4.939 8.013 -7.232 1.00 0.00 ATOM 960 CA ALA A 120 5.486 6.732 -7.636 1.00 0.00 ATOM 961 CB ALA A 120 6.744 6.927 -8.455 1.00 0.00 ATOM 962 O ALA A 120 5.626 4.784 -6.268 1.00 0.00 ATOM 963 C ALA A 120 5.788 5.993 -6.328 1.00 0.00 ATOM 964 N ALA A 121 6.251 6.708 -5.303 1.00 0.00 ATOM 965 CA ALA A 121 6.512 6.112 -3.981 1.00 0.00 ATOM 966 CB ALA A 121 7.111 7.161 -2.989 1.00 0.00 ATOM 967 O ALA A 121 5.275 4.232 -2.988 1.00 0.00 ATOM 968 C ALA A 121 5.255 5.413 -3.365 1.00 0.00 ATOM 969 N VAL A 122 4.162 6.149 -3.264 1.00 0.00 ATOM 970 CA VAL A 122 2.943 5.597 -2.701 1.00 0.00 ATOM 971 CB VAL A 122 1.879 6.702 -2.326 1.00 0.00 ATOM 972 CG1 VAL A 122 2.467 7.641 -1.273 1.00 0.00 ATOM 973 CG2 VAL A 122 1.380 7.497 -3.532 1.00 0.00 ATOM 974 O VAL A 122 1.733 3.602 -3.093 1.00 0.00 ATOM 975 C VAL A 122 2.338 4.531 -3.592 1.00 0.00 ATOM 976 N HIS A 123 2.500 4.640 -4.913 1.00 0.00 ATOM 977 CA HIS A 123 2.095 3.557 -5.816 1.00 0.00 ATOM 978 CB HIS A 123 2.238 4.090 -7.261 1.00 0.00 ATOM 979 CG HIS A 123 1.654 3.216 -8.289 1.00 0.00 ATOM 980 CD2 HIS A 123 0.794 2.184 -8.193 1.00 0.00 ATOM 981 ND1 HIS A 123 1.956 3.355 -9.616 1.00 0.00 ATOM 982 CE1 HIS A 123 1.302 2.445 -10.300 1.00 0.00 ATOM 983 NE2 HIS A 123 0.586 1.743 -9.451 1.00 0.00 ATOM 984 O HIS A 123 2.305 1.150 -5.476 1.00 0.00 ATOM 985 C HIS A 123 2.879 2.246 -5.576 1.00 0.00 ATOM 986 N LEU A 124 4.164 2.380 -5.304 1.00 0.00 ATOM 987 CA LEU A 124 4.994 1.255 -4.922 1.00 0.00 ATOM 988 CB LEU A 124 6.480 1.660 -4.799 1.00 0.00 ATOM 989 CG LEU A 124 7.449 0.499 -4.531 1.00 0.00 ATOM 990 CD1 LEU A 124 7.710 -0.307 -5.795 1.00 0.00 ATOM 991 CD2 LEU A 124 8.779 1.069 -3.923 1.00 0.00 ATOM 992 O LEU A 124 4.341 -0.696 -3.600 1.00 0.00 ATOM 993 C LEU A 124 4.519 0.552 -3.625 1.00 0.00 ATOM 994 N TYR A 125 4.237 1.317 -2.605 1.00 0.00 ATOM 995 CA TYR A 125 3.757 0.793 -1.321 1.00 0.00 ATOM 996 CB TYR A 125 3.835 1.884 -0.225 1.00 0.00 ATOM 997 CG TYR A 125 5.214 1.938 0.437 1.00 0.00 ATOM 998 CD1 TYR A 125 6.261 2.667 -0.162 1.00 0.00 ATOM 999 CD2 TYR A 125 5.444 1.342 1.652 1.00 0.00 ATOM 1000 CE1 TYR A 125 7.528 2.709 0.372 1.00 0.00 ATOM 1001 CE2 TYR A 125 6.694 1.399 2.236 1.00 0.00 ATOM 1002 CZ TYR A 125 7.719 2.129 1.625 1.00 0.00 ATOM 1003 OH TYR A 125 8.951 2.172 2.226 1.00 0.00 ATOM 1004 O TYR A 125 2.079 -0.797 -0.862 1.00 0.00 ATOM 1005 C TYR A 125 2.367 0.213 -1.467 1.00 0.00 ATOM 1006 N HIS A 126 1.516 0.788 -2.315 1.00 0.00 ATOM 1007 CA HIS A 126 0.199 0.188 -2.639 1.00 0.00 ATOM 1008 CB HIS A 126 -0.527 1.074 -3.665 1.00 0.00 ATOM 1009 CG HIS A 126 -1.805 0.493 -4.218 1.00 0.00 ATOM 1010 CD2 HIS A 126 -2.059 -0.168 -5.374 1.00 0.00 ATOM 1011 ND1 HIS A 126 -2.998 0.539 -3.529 1.00 0.00 ATOM 1012 CE1 HIS A 126 -3.946 -0.046 -4.251 1.00 0.00 ATOM 1013 NE2 HIS A 126 -3.405 -0.497 -5.372 1.00 0.00 ATOM 1014 O HIS A 126 -0.287 -2.187 -2.678 1.00 0.00 ATOM 1015 C HIS A 126 0.355 -1.263 -3.153 1.00 0.00 ATOM 1016 N HIS A 127 1.200 -1.458 -4.162 1.00 0.00 ATOM 1017 CA HIS A 127 1.330 -2.764 -4.715 1.00 0.00 ATOM 1018 CB HIS A 127 1.748 -2.739 -6.182 1.00 0.00 ATOM 1019 CG HIS A 127 0.725 -2.153 -7.089 1.00 0.00 ATOM 1020 CD2 HIS A 127 0.765 -1.055 -7.864 1.00 0.00 ATOM 1021 ND1 HIS A 127 -0.494 -2.757 -7.324 1.00 0.00 ATOM 1022 CE1 HIS A 127 -1.152 -2.029 -8.222 1.00 0.00 ATOM 1023 NE2 HIS A 127 -0.440 -0.949 -8.510 1.00 0.00 ATOM 1024 O HIS A 127 1.999 -4.916 -4.021 1.00 0.00 ATOM 1025 C HIS A 127 2.219 -3.697 -3.932 1.00 0.00 ATOM 1026 N ARG A 128 3.193 -3.201 -3.167 1.00 0.00 ATOM 1027 CA ARG A 128 3.958 -4.069 -2.271 1.00 0.00 ATOM 1028 CB ARG A 128 4.974 -3.279 -1.499 1.00 0.00 ATOM 1029 CG ARG A 128 5.930 -4.163 -0.680 1.00 0.00 ATOM 1030 CD ARG A 128 6.851 -3.383 0.251 1.00 0.00 ATOM 1031 NE ARG A 128 6.097 -2.730 1.326 1.00 0.00 ATOM 1032 CZ ARG A 128 6.623 -2.346 2.480 1.00 0.00 ATOM 1033 NH1 ARG A 128 7.910 -2.488 2.715 1.00 0.00 ATOM 1034 NH2 ARG A 128 5.847 -1.747 3.367 1.00 0.00 ATOM 1035 O ARG A 128 3.047 -5.950 -0.966 1.00 0.00 ATOM 1036 C ARG A 128 2.979 -4.732 -1.278 1.00 0.00 ATOM 1037 N SER A 129 2.038 -3.931 -0.761 1.00 0.00 ATOM 1038 CA SER A 129 0.992 -4.442 0.144 1.00 0.00 ATOM 1039 CB SER A 129 0.086 -3.305 0.611 1.00 0.00 ATOM 1040 OG SER A 129 -0.765 -3.735 1.663 1.00 0.00 ATOM 1041 O SER A 129 -0.139 -6.609 0.090 1.00 0.00 ATOM 1042 C SER A 129 0.153 -5.525 -0.524 1.00 0.00 ATOM 1043 N GLN A 130 -0.254 -5.274 -1.768 1.00 0.00 ATOM 1044 CA GLN A 130 -1.035 -6.260 -2.519 1.00 0.00 ATOM 1045 CB GLN A 130 -1.266 -5.761 -3.920 1.00 0.00 ATOM 1046 CG GLN A 130 -2.218 -6.570 -4.719 1.00 0.00 ATOM 1047 CD GLN A 130 -2.590 -5.893 -6.025 1.00 0.00 ATOM 1048 OE1 GLN A 130 -2.100 -4.810 -6.341 1.00 0.00 ATOM 1049 NE2 GLN A 130 -3.504 -6.531 -6.795 1.00 0.00 ATOM 1050 O GLN A 130 -0.861 -8.682 -2.336 1.00 0.00 ATOM 1051 C GLN A 130 -0.273 -7.592 -2.595 1.00 0.00 ATOM 1052 N LEU A 131 1.010 -7.512 -2.963 1.00 0.00 ATOM 1053 CA LEU A 131 1.837 -8.723 -3.126 1.00 0.00 ATOM 1054 CB LEU A 131 3.241 -8.417 -3.698 1.00 0.00 ATOM 1055 CG LEU A 131 4.145 -9.653 -3.879 1.00 0.00 ATOM 1056 CD1 LEU A 131 3.478 -10.761 -4.807 1.00 0.00 ATOM 1057 CD2 LEU A 131 5.548 -9.162 -4.344 1.00 0.00 ATOM 1058 O LEU A 131 1.785 -10.657 -1.725 1.00 0.00 ATOM 1059 C LEU A 131 1.933 -9.417 -1.800 1.00 0.00 ATOM 1060 N LEU A 132 2.124 -8.648 -0.737 1.00 0.00 ATOM 1061 CA LEU A 132 2.209 -9.251 0.587 1.00 0.00 ATOM 1062 CB LEU A 132 2.513 -8.175 1.616 1.00 0.00 ATOM 1063 CG LEU A 132 2.633 -8.592 3.083 1.00 0.00 ATOM 1064 CD1 LEU A 132 4.009 -9.166 3.331 1.00 0.00 ATOM 1065 CD2 LEU A 132 2.395 -7.323 3.966 1.00 0.00 ATOM 1066 O LEU A 132 0.907 -11.168 1.476 1.00 0.00 ATOM 1067 C LEU A 132 0.887 -10.006 0.954 1.00 0.00 ATOM 1068 N ASP A 133 -0.245 -9.368 0.684 1.00 0.00 ATOM 1069 CA ASP A 133 -1.550 -10.003 0.940 1.00 0.00 ATOM 1070 CB ASP A 133 -2.710 -9.094 0.592 1.00 0.00 ATOM 1071 CG ASP A 133 -2.872 -7.940 1.548 1.00 0.00 ATOM 1072 OD1 ASP A 133 -2.283 -7.977 2.666 1.00 0.00 ATOM 1073 OD2 ASP A 133 -3.635 -6.991 1.161 1.00 0.00 ATOM 1074 O ASP A 133 -2.200 -12.287 0.631 1.00 0.00 ATOM 1075 C ASP A 133 -1.701 -11.294 0.119 1.00 0.00 ATOM 1076 N TYR A 134 -1.268 -11.275 -1.136 1.00 0.00 ATOM 1077 CA TYR A 134 -1.349 -12.458 -1.962 1.00 0.00 ATOM 1078 CB TYR A 134 -0.770 -12.215 -3.344 1.00 0.00 ATOM 1079 CG TYR A 134 -1.660 -11.516 -4.344 1.00 0.00 ATOM 1080 CD1 TYR A 134 -2.789 -10.817 -3.953 1.00 0.00 ATOM 1081 CD2 TYR A 134 -1.344 -11.551 -5.694 1.00 0.00 ATOM 1082 CE1 TYR A 134 -3.569 -10.135 -4.884 1.00 0.00 ATOM 1083 CE2 TYR A 134 -2.132 -10.911 -6.629 1.00 0.00 ATOM 1084 CZ TYR A 134 -3.247 -10.210 -6.223 1.00 0.00 ATOM 1085 OH TYR A 134 -4.015 -9.565 -7.167 1.00 0.00 ATOM 1086 O TYR A 134 -1.007 -14.740 -1.312 1.00 0.00 ATOM 1087 C TYR A 134 -0.530 -13.605 -1.362 1.00 0.00 ATOM 1088 N LEU A 135 0.720 -13.317 -0.995 1.00 0.00 ATOM 1089 CA LEU A 135 1.599 -14.374 -0.498 1.00 0.00 ATOM 1090 CB LEU A 135 3.062 -13.880 -0.368 1.00 0.00 ATOM 1091 CG LEU A 135 3.775 -13.571 -1.698 1.00 0.00 ATOM 1092 CD1 LEU A 135 5.286 -13.253 -1.430 1.00 0.00 ATOM 1093 CD2 LEU A 135 3.612 -14.586 -2.799 1.00 0.00 ATOM 1094 O LEU A 135 0.999 -16.080 1.036 1.00 0.00 ATOM 1095 C LEU A 135 1.046 -14.897 0.826 1.00 0.00 ATOM 1096 N ASN A 136 0.546 -14.012 1.682 1.00 0.00 ATOM 1097 CA ASN A 136 -0.088 -14.456 2.926 1.00 0.00 ATOM 1098 CB ASN A 136 -0.351 -13.268 3.836 1.00 0.00 ATOM 1099 CG ASN A 136 0.903 -12.797 4.567 1.00 0.00 ATOM 1100 ND2 ASN A 136 0.966 -11.505 4.822 1.00 0.00 ATOM 1101 OD1 ASN A 136 1.796 -13.592 4.881 1.00 0.00 ATOM 1102 O ASN A 136 -1.656 -16.230 3.407 1.00 0.00 ATOM 1103 C ASN A 136 -1.384 -15.246 2.698 1.00 0.00 ATOM 1104 N LEU A 137 -2.174 -14.857 1.708 1.00 0.00 ATOM 1105 CA LEU A 137 -3.324 -15.679 1.258 1.00 0.00 ATOM 1106 CB LEU A 137 -4.031 -15.036 0.080 1.00 0.00 ATOM 1107 CG LEU A 137 -5.031 -13.912 0.443 1.00 0.00 ATOM 1108 CD1 LEU A 137 -5.439 -13.069 -0.775 1.00 0.00 ATOM 1109 CD2 LEU A 137 -6.225 -14.467 1.080 1.00 0.00 ATOM 1110 O LEU A 137 -3.612 -18.062 1.011 1.00 0.00 ATOM 1111 C LEU A 137 -2.884 -17.091 0.835 1.00 0.00 ATOM 1112 N LEU A 138 -1.660 -17.196 0.312 1.00 0.00 ATOM 1113 CA LEU A 138 -1.120 -18.466 -0.141 1.00 0.00 ATOM 1114 CB LEU A 138 -0.234 -18.244 -1.375 1.00 0.00 ATOM 1115 CG LEU A 138 -0.965 -17.816 -2.664 1.00 0.00 ATOM 1116 CD1 LEU A 138 0.020 -17.318 -3.766 1.00 0.00 ATOM 1117 CD2 LEU A 138 -1.849 -18.938 -3.206 1.00 0.00 ATOM 1118 O LEU A 138 0.313 -20.179 0.699 1.00 0.00 ATOM 1119 C LEU A 138 -0.372 -19.216 0.973 1.00 0.00 ATOM 1120 N GLY A 139 -0.488 -18.767 2.222 1.00 0.00 ATOM 1121 CA GLY A 139 0.112 -19.492 3.352 1.00 0.00 ATOM 1122 O GLY A 139 2.203 -19.957 4.358 1.00 0.00 ATOM 1123 C GLY A 139 1.579 -19.230 3.611 1.00 0.00 ATOM 1124 N TYR A 140 2.153 -18.168 3.069 1.00 0.00 ATOM 1125 CA TYR A 140 3.567 -17.921 3.278 1.00 0.00 ATOM 1126 CB TYR A 140 4.101 -16.925 2.251 1.00 0.00 ATOM 1127 CG TYR A 140 4.340 -17.439 0.848 1.00 0.00 ATOM 1128 CD1 TYR A 140 3.317 -17.993 0.083 1.00 0.00 ATOM 1129 CD2 TYR A 140 5.597 -17.316 0.259 1.00 0.00 ATOM 1130 CE1 TYR A 140 3.547 -18.445 -1.228 1.00 0.00 ATOM 1131 CE2 TYR A 140 5.840 -17.743 -1.042 1.00 0.00 ATOM 1132 CZ TYR A 140 4.807 -18.308 -1.786 1.00 0.00 ATOM 1133 OH TYR A 140 5.054 -18.723 -3.072 1.00 0.00 ATOM 1134 O TYR A 140 5.019 -17.353 5.124 1.00 0.00 ATOM 1135 C TYR A 140 3.869 -17.343 4.685 1.00 0.00 ATOM 1136 N ASP A 141 2.878 -16.761 5.363 1.00 0.00 ATOM 1137 CA ASP A 141 3.069 -16.284 6.741 1.00 0.00 ATOM 1138 CB ASP A 141 3.182 -17.512 7.683 1.00 0.00 ATOM 1139 CG ASP A 141 3.208 -17.139 9.168 1.00 0.00 ATOM 1140 OD1 ASP A 141 3.095 -15.938 9.505 1.00 0.00 ATOM 1141 OD2 ASP A 141 3.319 -18.075 9.997 1.00 0.00 ATOM 1142 O ASP A 141 5.236 -15.626 7.633 1.00 0.00 ATOM 1143 C ASP A 141 4.313 -15.378 6.843 1.00 0.00 ATOM 1144 N ILE A 142 4.336 -14.325 6.046 1.00 0.00 ATOM 1145 CA ILE A 142 5.562 -13.499 5.917 1.00 0.00 ATOM 1146 CB ILE A 142 5.472 -12.567 4.692 1.00 0.00 ATOM 1147 CG1 ILE A 142 5.636 -13.441 3.420 1.00 0.00 ATOM 1148 CG2 ILE A 142 6.513 -11.371 4.751 1.00 0.00 ATOM 1149 CD1 ILE A 142 4.753 -13.059 2.344 1.00 0.00 ATOM 1150 O ILE A 142 5.135 -12.056 7.805 1.00 0.00 ATOM 1151 C ILE A 142 5.954 -12.742 7.190 1.00 0.00 ATOM 1152 N LYS A 143 7.232 -12.887 7.573 1.00 0.00 ATOM 1153 CA LYS A 143 7.783 -12.283 8.784 1.00 0.00 ATOM 1154 CB LYS A 143 8.291 -13.371 9.753 1.00 0.00 ATOM 1155 CG LYS A 143 7.320 -14.561 10.040 1.00 0.00 ATOM 1156 CD LYS A 143 6.093 -14.162 10.863 1.00 0.00 ATOM 1157 O LYS A 143 9.941 -11.225 9.140 1.00 0.00 ATOM 1158 C LYS A 143 8.929 -11.295 8.433 1.00 0.00 ATOM 1159 N LEU A 144 8.747 -10.528 7.358 1.00 0.00 ATOM 1160 CA LEU A 144 9.743 -9.555 6.866 1.00 0.00 ATOM 1161 CB LEU A 144 9.642 -9.462 5.335 1.00 0.00 ATOM 1162 CG LEU A 144 10.861 -9.435 4.419 1.00 0.00 ATOM 1163 CD1 LEU A 144 11.028 -10.791 3.702 1.00 0.00 ATOM 1164 CD2 LEU A 144 10.619 -8.350 3.414 1.00 0.00 ATOM 1165 O LEU A 144 8.284 -7.720 7.385 1.00 0.00 ATOM 1166 C LEU A 144 9.429 -8.178 7.465 1.00 0.00 ATOM 1167 N ASP A 145 10.416 -7.510 8.055 1.00 0.00 ATOM 1168 CA ASP A 145 10.186 -6.161 8.581 1.00 0.00 ATOM 1169 CB ASP A 145 11.360 -5.698 9.474 1.00 0.00 ATOM 1170 CG ASP A 145 11.027 -4.434 10.302 1.00 0.00 ATOM 1171 OD1 ASP A 145 10.067 -3.700 9.942 1.00 0.00 ATOM 1172 OD2 ASP A 145 11.737 -4.171 11.312 1.00 0.00 ATOM 1173 O ASP A 145 10.843 -4.829 6.650 1.00 0.00 ATOM 1174 C ASP A 145 9.934 -5.173 7.413 1.00 0.00 ATOM 1175 N LEU A 146 8.686 -4.726 7.306 1.00 0.00 ATOM 1176 CA LEU A 146 8.211 -3.902 6.179 1.00 0.00 ATOM 1177 CB LEU A 146 6.716 -4.179 5.925 1.00 0.00 ATOM 1178 CG LEU A 146 6.264 -5.628 5.683 1.00 0.00 ATOM 1179 CD1 LEU A 146 4.757 -5.612 5.592 1.00 0.00 ATOM 1180 CD2 LEU A 146 6.892 -6.250 4.438 1.00 0.00 ATOM 1181 O LEU A 146 8.306 -1.604 5.444 1.00 0.00 ATOM 1182 C LEU A 146 8.411 -2.392 6.385 1.00 0.00 ATOM 1183 N PHE 147 8.655 -2.005 7.633 1.00 0.00 ATOM 1184 CA PHE 147 8.992 -0.635 7.999 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 T0369.undertaker-align.pdb looking for model 1 WARNING: atoms too close: (T0369)L96.C and (T0369)F100.C only 0.000 apart, marking (T0369)F100.C as missing WARNING: atoms too close: (T0369)M97.N and (T0369)S101.N only 0.000 apart, marking (T0369)M97.N as missing WARNING: atoms too close: (T0369)M97.CA and (T0369)S101.CA only 0.000 apart, marking (T0369)M97.CA as missing # WARNING: incomplete conformation T0369 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 = 0.870 # GDT_score = -52.226 # GDT_score(maxd=8.000,maxw=2.900)= -53.326 # GDT_score(maxd=8.000,maxw=3.200)= -50.147 # GDT_score(maxd=8.000,maxw=3.500)= -47.397 # GDT_score(maxd=10.000,maxw=3.800)= -50.875 # GDT_score(maxd=10.000,maxw=4.000)= -49.194 # GDT_score(maxd=10.000,maxw=4.200)= -47.555 # GDT_score(maxd=12.000,maxw=4.300)= -51.222 # GDT_score(maxd=12.000,maxw=4.500)= -49.582 # GDT_score(maxd=12.000,maxw=4.700)= -48.037 # GDT_score(maxd=14.000,maxw=5.200)= -47.731 # GDT_score(maxd=14.000,maxw=5.500)= -45.605 # command:# ReadConformPDB reading from PDB file T0369.undertaker-align.pdb looking for model 2 # WARNING: incomplete conformation T0369 can't currently be optimized by undertaker # command:# naming current conformation align2 # command:Warning: Couldn't open file decoys/align2.gdt for output # fraction of real conformation used = 0.945 # GDT_score = -53.938 # GDT_score(maxd=8.000,maxw=2.900)= -55.608 # GDT_score(maxd=8.000,maxw=3.200)= -52.391 # GDT_score(maxd=8.000,maxw=3.500)= -49.533 # GDT_score(maxd=10.000,maxw=3.800)= -53.061 # GDT_score(maxd=10.000,maxw=4.000)= -51.290 # GDT_score(maxd=10.000,maxw=4.200)= -49.584 # GDT_score(maxd=12.000,maxw=4.300)= -53.490 # GDT_score(maxd=12.000,maxw=4.500)= -51.784 # GDT_score(maxd=12.000,maxw=4.700)= -50.166 # GDT_score(maxd=14.000,maxw=5.200)= -50.012 # GDT_score(maxd=14.000,maxw=5.500)= -47.798 # command:# ReadConformPDB reading from PDB file T0369.undertaker-align.pdb looking for model 3 WARNING: atoms too close: (T0369)I26.C and (T0369)D30.C only 0.000 apart, marking (T0369)D30.C as missing WARNING: atoms too close: (T0369)Q27.N and (T0369)W31.N only 0.000 apart, marking (T0369)Q27.N as missing WARNING: atoms too close: (T0369)Q27.CA and (T0369)W31.CA only 0.000 apart, marking (T0369)Q27.CA as missing WARNING: atoms too close: (T0369)V47.C and (T0369)L52.C only 0.000 apart, marking (T0369)L52.C as missing WARNING: atoms too close: (T0369)H48.N and (T0369)L53.N only 0.000 apart, marking (T0369)H48.N as missing WARNING: atoms too close: (T0369)H48.CA and (T0369)L53.CA only 0.000 apart, marking (T0369)H48.CA as missing WARNING: atoms too close: (T0369)E119.C and (T0369)Y134.C only 0.000 apart, marking (T0369)Y134.C as missing WARNING: atoms too close: (T0369)A120.N and (T0369)L135.N only 0.000 apart, marking (T0369)A120.N as missing WARNING: atoms too close: (T0369)A120.CA and (T0369)L135.CA only 0.000 apart, marking (T0369)A120.CA as missing # WARNING: incomplete conformation T0369 can't currently be optimized by undertaker # command:# naming current conformation align3 # command:# ReadConformPDB reading from PDB file T0369.undertaker-align.pdb looking for model 4 WARNING: atoms too close: (T0369)D32.C and (T0369)R40.C only 0.000 apart, marking (T0369)R40.C as missing WARNING: atoms too close: (T0369)K33.N and (T0369)S41.N only 0.000 apart, marking (T0369)K33.N as missing WARNING: atoms too close: (T0369)K33.CA and (T0369)S41.CA only 0.000 apart, marking (T0369)K33.CA as missing WARNING: atoms too close: (T0369)T102.C and (T0369)W107.C only 0.000 apart, marking (T0369)W107.C as missing WARNING: atoms too close: (T0369)E103.N and (T0369)G108.N only 0.000 apart, marking (T0369)E103.N as missing WARNING: atoms too close: (T0369)E103.CA and (T0369)G108.CA only 0.000 apart, marking (T0369)E103.CA as missing WARNING: atoms too close: (T0369)H126.C and (T0369)S129.C only 0.000 apart, marking (T0369)S129.C as missing WARNING: atoms too close: (T0369)H127.N and (T0369)Q130.N only 0.000 apart, marking (T0369)H127.N as missing WARNING: atoms too close: (T0369)H127.CA and (T0369)Q130.CA only 0.000 apart, marking (T0369)H127.CA as missing # WARNING: incomplete conformation T0369 can't currently be optimized by undertaker # command:# naming current conformation align4 # command:# ReadConformPDB reading from PDB file T0369.undertaker-align.pdb looking for model 5 WARNING: atoms too close: (T0369)R58.C and (T0369)A60.C only 0.000 apart, marking (T0369)A60.C as missing WARNING: atoms too close: (T0369)I59.N and (T0369)T61.N only 0.000 apart, marking (T0369)I59.N as missing WARNING: atoms too close: (T0369)I59.CA and (T0369)T61.CA only 0.000 apart, marking (T0369)I59.CA as missing WARNING: atoms too close: (T0369)M68.C and (T0369)F71.C only 0.000 apart, marking (T0369)F71.C as missing WARNING: atoms too close: (T0369)A69.N and (T0369)Y72.N only 0.000 apart, marking (T0369)A69.N as missing WARNING: atoms too close: (T0369)A69.CA and (T0369)Y72.CA only 0.000 apart, marking (T0369)A69.CA as missing WARNING: atoms too close: (T0369)Y72.C and (T0369)V82.C only 0.000 apart, marking (T0369)V82.C as missing WARNING: atoms too close: (T0369)A73.N and (T0369)D83.N only 0.000 apart, marking (T0369)A73.N as missing WARNING: atoms too close: (T0369)A73.CA and (T0369)D83.CA only 0.000 apart, marking (T0369)A73.CA as missing # WARNING: incomplete conformation T0369 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 107 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file ../model2.ts-submitted looking for model 1 # Found a chain break before 102 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file ../model3.ts-submitted looking for model 1 # Found a chain break before 140 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file ../model4.ts-submitted looking for model 1 # Found a chain break before 143 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file ../model5.ts-submitted looking for model 1 # Found a chain break before 145 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0369.try1-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 109 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0369.try1-opt1.pdb.gz looking for model 1 # Found a chain break before 109 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0369.try1-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 67 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0369.try1-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 67 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0369.try1-opt2.pdb.gz looking for model 1 # Found a chain break before 130 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0369.try1-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 130 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0369.try10-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 140 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0369.try10-opt1.pdb.gz looking for model 1 # Found a chain break before 140 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0369.try10-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 102 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0369.try10-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 102 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0369.try10-opt2.pdb.gz looking for model 1 # Found a chain break before 146 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0369.try10-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 146 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0369.try11-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 109 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0369.try11-opt1.pdb.gz looking for model 1 # Found a chain break before 109 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0369.try11-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 102 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0369.try11-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 102 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0369.try11-opt2.pdb.gz looking for model 1 # Found a chain break before 107 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0369.try11-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 107 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0369.try12-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 109 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0369.try12-opt1.pdb.gz looking for model 1 # Found a chain break before 109 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0369.try12-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 79 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0369.try12-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 79 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0369.try12-opt2.pdb.gz looking for model 1 # Found a chain break before 145 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0369.try12-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 145 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0369.try13-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 140 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0369.try13-opt1.pdb.gz looking for model 1 # Found a chain break before 140 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0369.try13-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 69 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0369.try13-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 69 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0369.try13-opt2.pdb.gz looking for model 1 # Found a chain break before 140 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0369.try13-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 140 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0369.try14-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 140 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0369.try14-opt1.pdb.gz looking for model 1 # Found a chain break before 140 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0369.try14-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 69 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0369.try14-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 69 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0369.try14-opt2.pdb.gz looking for model 1 # Found a chain break before 140 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0369.try14-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 140 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0369.try15-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 143 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0369.try15-opt1.pdb.gz looking for model 1 # Found a chain break before 143 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0369.try15-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 79 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0369.try15-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 79 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0369.try15-opt2.pdb.gz looking for model 1 # Found a chain break before 143 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0369.try15-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 143 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0369.try16-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 140 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0369.try16-opt1.pdb.gz looking for model 1 # Found a chain break before 140 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0369.try16-opt2.gromacs0.pdb.gz looking for model 1 # ReadConformPDB reading from PDB file T0369.try16-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # ReadConformPDB reading from PDB file T0369.try16-opt2.pdb.gz looking for model 1 # Found a chain break before 140 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0369.try16-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 140 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0369.try17-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 140 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0369.try17-opt1.pdb.gz looking for model 1 # Found a chain break before 140 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0369.try17-opt2.gromacs0.pdb.gz looking for model 1 # ReadConformPDB reading from PDB file T0369.try17-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # ReadConformPDB reading from PDB file T0369.try17-opt2.pdb.gz looking for model 1 # Found a chain break before 140 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0369.try17-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 140 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0369.try18-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 107 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0369.try18-opt1.pdb.gz looking for model 1 # Found a chain break before 107 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0369.try18-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 102 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0369.try18-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 102 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0369.try18-opt2.pdb.gz looking for model 1 # Found a chain break before 107 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0369.try18-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 107 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0369.try19-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 107 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0369.try19-opt1.pdb.gz looking for model 1 # Found a chain break before 107 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0369.try19-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 102 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0369.try19-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 102 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0369.try19-opt2.pdb.gz looking for model 1 # Found a chain break before 107 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0369.try19-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 107 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0369.try2-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 130 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0369.try2-opt1.pdb.gz looking for model 1 # Found a chain break before 130 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0369.try2-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 61 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0369.try2-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 61 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0369.try2-opt2.pdb.gz looking for model 1 # Found a chain break before 145 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0369.try2-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 145 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0369.try20-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 107 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0369.try20-opt1.pdb.gz looking for model 1 # Found a chain break before 107 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0369.try20-opt2.gromacs0.pdb.gz looking for model 1 # ReadConformPDB reading from PDB file T0369.try20-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # ReadConformPDB reading from PDB file T0369.try20-opt2.pdb.gz looking for model 1 # Found a chain break before 107 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0369.try20-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 107 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0369.try4-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 130 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0369.try4-opt1.pdb.gz looking for model 1 # Found a chain break before 130 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0369.try4-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 61 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0369.try4-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 61 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0369.try4-opt2.pdb.gz looking for model 1 # Found a chain break before 130 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0369.try4-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 130 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0369.try5-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 130 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0369.try5-opt1.pdb.gz looking for model 1 # Found a chain break before 130 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0369.try5-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 88 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0369.try5-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 88 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0369.try5-opt2.pdb.gz looking for model 1 # Found a chain break before 145 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0369.try5-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 145 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0369.try6-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 130 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0369.try6-opt1.pdb.gz looking for model 1 # Found a chain break before 130 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0369.try6-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 87 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0369.try6-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 87 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0369.try6-opt2.pdb.gz looking for model 1 # Found a chain break before 144 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0369.try6-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 144 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0369.try7-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 109 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0369.try7-opt1.pdb.gz looking for model 1 # Found a chain break before 109 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0369.try7-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 70 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0369.try7-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 70 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0369.try7-opt2.pdb.gz looking for model 1 # Found a chain break before 146 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0369.try7-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 146 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0369.try8-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 108 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0369.try8-opt1.pdb.gz looking for model 1 # Found a chain break before 108 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0369.try8-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 98 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0369.try8-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 98 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0369.try8-opt2.pdb.gz looking for model 1 # Found a chain break before 108 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0369.try8-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 108 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0369.try9-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 131 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0369.try9-opt1.pdb.gz looking for model 1 # Found a chain break before 131 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0369.try9-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 102 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0369.try9-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 102 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0369.try9-opt2.pdb.gz looking for model 1 # Found a chain break before 131 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0369.try9-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 131 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file servers/3D-JIGSAW_POPULUS_TS1.pdb.gz looking for model 1 # Found a chain break before 144 # copying to AlignedFragments data structure # naming current conformation 3D-JIGSAW_POPULUS_TS1 # request to SCWRL produces command: ulimit -t 134 ; scwrl3 -i /var/tmp/to_scwrl_327509318.pdb -s /var/tmp/to_scwrl_327509318.seq -o /var/tmp/from_scwrl_327509318.pdb > /var/tmp/scwrl_327509318.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_327509318.pdb # conformation set from SCWRL output # naming current conformation 3D-JIGSAW_POPULUS_TS1-scwrl # ReadConformPDB reading from PDB file servers/3D-JIGSAW_POPULUS_TS2.pdb.gz looking for model 1 # Found a chain break before 146 # copying to AlignedFragments data structure # naming current conformation 3D-JIGSAW_POPULUS_TS2 # request to SCWRL produces command: ulimit -t 134 ; scwrl3 -i /var/tmp/to_scwrl_797147988.pdb -s /var/tmp/to_scwrl_797147988.seq -o /var/tmp/from_scwrl_797147988.pdb > /var/tmp/scwrl_797147988.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_797147988.pdb # conformation set from SCWRL output # naming current conformation 3D-JIGSAW_POPULUS_TS2-scwrl # ReadConformPDB reading from PDB file servers/3D-JIGSAW_POPULUS_TS3.pdb.gz looking for model 1 # Found a chain break before 139 # copying to AlignedFragments data structure # naming current conformation 3D-JIGSAW_POPULUS_TS3 # request to SCWRL produces command: ulimit -t 134 ; scwrl3 -i /var/tmp/to_scwrl_1976365400.pdb -s /var/tmp/to_scwrl_1976365400.seq -o /var/tmp/from_scwrl_1976365400.pdb > /var/tmp/scwrl_1976365400.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1976365400.pdb # conformation set from SCWRL output # naming current conformation 3D-JIGSAW_POPULUS_TS3-scwrl # ReadConformPDB reading from PDB file servers/3D-JIGSAW_POPULUS_TS4.pdb.gz looking for model 1 # Found a chain break before 144 # copying to AlignedFragments data structure # naming current conformation 3D-JIGSAW_POPULUS_TS4 # request to SCWRL produces command: ulimit -t 134 ; scwrl3 -i /var/tmp/to_scwrl_81945234.pdb -s /var/tmp/to_scwrl_81945234.seq -o /var/tmp/from_scwrl_81945234.pdb > /var/tmp/scwrl_81945234.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_81945234.pdb # conformation set from SCWRL output # naming current conformation 3D-JIGSAW_POPULUS_TS4-scwrl # ReadConformPDB reading from PDB file servers/3D-JIGSAW_POPULUS_TS5.pdb.gz looking for model 1 # Found a chain break before 144 # copying to AlignedFragments data structure # naming current conformation 3D-JIGSAW_POPULUS_TS5 # request to SCWRL produces command: ulimit -t 134 ; scwrl3 -i /var/tmp/to_scwrl_2030770867.pdb -s /var/tmp/to_scwrl_2030770867.seq -o /var/tmp/from_scwrl_2030770867.pdb > /var/tmp/scwrl_2030770867.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2030770867.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 T0369 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS1 # request to SCWRL produces command: ulimit -t 134 ; scwrl3 -i /var/tmp/to_scwrl_1809108615.pdb -s /var/tmp/to_scwrl_1809108615.seq -o /var/tmp/from_scwrl_1809108615.pdb > /var/tmp/scwrl_1809108615.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1809108615.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 T0369 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS2 # request to SCWRL produces command: ulimit -t 134 ; scwrl3 -i /var/tmp/to_scwrl_514959919.pdb -s /var/tmp/to_scwrl_514959919.seq -o /var/tmp/from_scwrl_514959919.pdb > /var/tmp/scwrl_514959919.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_514959919.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 T0369 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS3 # request to SCWRL produces command: ulimit -t 134 ; scwrl3 -i /var/tmp/to_scwrl_1532058897.pdb -s /var/tmp/to_scwrl_1532058897.seq -o /var/tmp/from_scwrl_1532058897.pdb > /var/tmp/scwrl_1532058897.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1532058897.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 T0369 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS4 # request to SCWRL produces command: ulimit -t 134 ; scwrl3 -i /var/tmp/to_scwrl_543608929.pdb -s /var/tmp/to_scwrl_543608929.seq -o /var/tmp/from_scwrl_543608929.pdb > /var/tmp/scwrl_543608929.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_543608929.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 T0369 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS5 # request to SCWRL produces command: ulimit -t 134 ; scwrl3 -i /var/tmp/to_scwrl_1347520262.pdb -s /var/tmp/to_scwrl_1347520262.seq -o /var/tmp/from_scwrl_1347520262.pdb > /var/tmp/scwrl_1347520262.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1347520262.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 T0369 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_TS1 # request to SCWRL produces command: ulimit -t 134 ; scwrl3 -i /var/tmp/to_scwrl_605534768.pdb -s /var/tmp/to_scwrl_605534768.seq -o /var/tmp/from_scwrl_605534768.pdb > /var/tmp/scwrl_605534768.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_605534768.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 T0369 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_TS2 # request to SCWRL produces command: ulimit -t 134 ; scwrl3 -i /var/tmp/to_scwrl_515629352.pdb -s /var/tmp/to_scwrl_515629352.seq -o /var/tmp/from_scwrl_515629352.pdb > /var/tmp/scwrl_515629352.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_515629352.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 # Found a chain break before 143 # copying to AlignedFragments data structure # naming current conformation 3D-JIGSAW_TS3 # request to SCWRL produces command: ulimit -t 134 ; scwrl3 -i /var/tmp/to_scwrl_321499725.pdb -s /var/tmp/to_scwrl_321499725.seq -o /var/tmp/from_scwrl_321499725.pdb > /var/tmp/scwrl_321499725.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_321499725.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 T0369 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_TS4 # request to SCWRL produces command: ulimit -t 134 ; scwrl3 -i /var/tmp/to_scwrl_485199123.pdb -s /var/tmp/to_scwrl_485199123.seq -o /var/tmp/from_scwrl_485199123.pdb > /var/tmp/scwrl_485199123.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_485199123.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 T0369 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_TS5 # request to SCWRL produces command: ulimit -t 134 ; scwrl3 -i /var/tmp/to_scwrl_1386132812.pdb -s /var/tmp/to_scwrl_1386132812.seq -o /var/tmp/from_scwrl_1386132812.pdb > /var/tmp/scwrl_1386132812.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1386132812.pdb # conformation set from SCWRL output # naming current conformation 3D-JIGSAW_TS5-scwrl # ReadConformPDB reading from PDB file servers/3Dpro_TS1.pdb.gz looking for model 1 # Found a chain break before 146 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS1 # request to SCWRL produces command: ulimit -t 134 ; scwrl3 -i /var/tmp/to_scwrl_377565111.pdb -s /var/tmp/to_scwrl_377565111.seq -o /var/tmp/from_scwrl_377565111.pdb > /var/tmp/scwrl_377565111.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_377565111.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 66 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS2 # request to SCWRL produces command: ulimit -t 134 ; scwrl3 -i /var/tmp/to_scwrl_721555290.pdb -s /var/tmp/to_scwrl_721555290.seq -o /var/tmp/from_scwrl_721555290.pdb > /var/tmp/scwrl_721555290.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_721555290.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 103 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS3 # request to SCWRL produces command: ulimit -t 134 ; scwrl3 -i /var/tmp/to_scwrl_876404629.pdb -s /var/tmp/to_scwrl_876404629.seq -o /var/tmp/from_scwrl_876404629.pdb > /var/tmp/scwrl_876404629.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_876404629.pdb # conformation set from SCWRL output # naming current conformation 3Dpro_TS3-scwrl # ReadConformPDB reading from PDB file servers/3Dpro_TS4.pdb.gz looking for model 1 # Found a chain break before 134 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS4 # request to SCWRL produces command: ulimit -t 134 ; scwrl3 -i /var/tmp/to_scwrl_1709703311.pdb -s /var/tmp/to_scwrl_1709703311.seq -o /var/tmp/from_scwrl_1709703311.pdb > /var/tmp/scwrl_1709703311.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1709703311.pdb # conformation set from SCWRL output # naming current conformation 3Dpro_TS4-scwrl # ReadConformPDB reading from PDB file servers/3Dpro_TS5.pdb.gz looking for model 1 # Found a chain break before 140 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS5 # request to SCWRL produces command: ulimit -t 134 ; scwrl3 -i /var/tmp/to_scwrl_1675942790.pdb -s /var/tmp/to_scwrl_1675942790.seq -o /var/tmp/from_scwrl_1675942790.pdb > /var/tmp/scwrl_1675942790.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1675942790.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 103 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS1 # request to SCWRL produces command: ulimit -t 134 ; scwrl3 -i /var/tmp/to_scwrl_1339261446.pdb -s /var/tmp/to_scwrl_1339261446.seq -o /var/tmp/from_scwrl_1339261446.pdb > /var/tmp/scwrl_1339261446.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1339261446.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 146 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS2 # request to SCWRL produces command: ulimit -t 134 ; scwrl3 -i /var/tmp/to_scwrl_1102837342.pdb -s /var/tmp/to_scwrl_1102837342.seq -o /var/tmp/from_scwrl_1102837342.pdb > /var/tmp/scwrl_1102837342.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1102837342.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 104 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS3 # request to SCWRL produces command: ulimit -t 134 ; scwrl3 -i /var/tmp/to_scwrl_911123520.pdb -s /var/tmp/to_scwrl_911123520.seq -o /var/tmp/from_scwrl_911123520.pdb > /var/tmp/scwrl_911123520.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_911123520.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 142 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS4 # request to SCWRL produces command: ulimit -t 134 ; scwrl3 -i /var/tmp/to_scwrl_753653945.pdb -s /var/tmp/to_scwrl_753653945.seq -o /var/tmp/from_scwrl_753653945.pdb > /var/tmp/scwrl_753653945.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_753653945.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 141 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS5 # request to SCWRL produces command: ulimit -t 134 ; scwrl3 -i /var/tmp/to_scwrl_1357501543.pdb -s /var/tmp/to_scwrl_1357501543.seq -o /var/tmp/from_scwrl_1357501543.pdb > /var/tmp/scwrl_1357501543.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1357501543.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 144 # copying to AlignedFragments data structure # naming current conformation BayesHH_TS1 # request to SCWRL produces command: ulimit -t 134 ; scwrl3 -i /var/tmp/to_scwrl_698710481.pdb -s /var/tmp/to_scwrl_698710481.seq -o /var/tmp/from_scwrl_698710481.pdb > /var/tmp/scwrl_698710481.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_698710481.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 67 # copying to AlignedFragments data structure # naming current conformation Bilab-ENABLE_TS1 # request to SCWRL produces command: ulimit -t 134 ; scwrl3 -i /var/tmp/to_scwrl_1926903757.pdb -s /var/tmp/to_scwrl_1926903757.seq -o /var/tmp/from_scwrl_1926903757.pdb > /var/tmp/scwrl_1926903757.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1926903757.pdb # conformation set from SCWRL output # naming current conformation Bilab-ENABLE_TS1-scwrl # ReadConformPDB reading from PDB file servers/CIRCLE_TS1.pdb.gz looking for model 1 # Found a chain break before 71 # copying to AlignedFragments data structure # naming current conformation CIRCLE_TS1 # request to SCWRL produces command: ulimit -t 134 ; scwrl3 -i /var/tmp/to_scwrl_1668297878.pdb -s /var/tmp/to_scwrl_1668297878.seq -o /var/tmp/from_scwrl_1668297878.pdb > /var/tmp/scwrl_1668297878.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1668297878.pdb # conformation set from SCWRL output # naming current conformation CIRCLE_TS1-scwrl # ReadConformPDB reading from PDB file servers/CIRCLE_TS2.pdb.gz looking for model 1 # Found a chain break before 144 # copying to AlignedFragments data structure # naming current conformation CIRCLE_TS2 # request to SCWRL produces command: ulimit -t 134 ; scwrl3 -i /var/tmp/to_scwrl_1937292204.pdb -s /var/tmp/to_scwrl_1937292204.seq -o /var/tmp/from_scwrl_1937292204.pdb > /var/tmp/scwrl_1937292204.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1937292204.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 # WARNING: incomplete conformation T0369 can't currently be optimized by undertaker # naming current conformation CIRCLE_TS3 # request to SCWRL produces command: ulimit -t 134 ; scwrl3 -i /var/tmp/to_scwrl_1833376229.pdb -s /var/tmp/to_scwrl_1833376229.seq -o /var/tmp/from_scwrl_1833376229.pdb > /var/tmp/scwrl_1833376229.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1833376229.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 T0369 can't currently be optimized by undertaker # naming current conformation CIRCLE_TS4 # request to SCWRL produces command: ulimit -t 134 ; scwrl3 -i /var/tmp/to_scwrl_1124459496.pdb -s /var/tmp/to_scwrl_1124459496.seq -o /var/tmp/from_scwrl_1124459496.pdb > /var/tmp/scwrl_1124459496.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1124459496.pdb # conformation set from SCWRL output # naming current conformation CIRCLE_TS4-scwrl # ReadConformPDB reading from PDB file servers/CIRCLE_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0369 can't currently be optimized by undertaker # naming current conformation CIRCLE_TS5 # request to SCWRL produces command: ulimit -t 134 ; scwrl3 -i /var/tmp/to_scwrl_117317876.pdb -s /var/tmp/to_scwrl_117317876.seq -o /var/tmp/from_scwrl_117317876.pdb > /var/tmp/scwrl_117317876.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_117317876.pdb # conformation set from SCWRL output # naming current conformation CIRCLE_TS5-scwrl # ReadConformPDB reading from PDB file servers/CaspIta-FOX_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0369 can't currently be optimized by undertaker # naming current conformation CaspIta-FOX_TS1 # request to SCWRL produces command: ulimit -t 134 ; scwrl3 -i /var/tmp/to_scwrl_483040571.pdb -s /var/tmp/to_scwrl_483040571.seq -o /var/tmp/from_scwrl_483040571.pdb > /var/tmp/scwrl_483040571.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_483040571.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 T0369 can't currently be optimized by undertaker # naming current conformation CaspIta-FOX_TS2 # request to SCWRL produces command: ulimit -t 134 ; scwrl3 -i /var/tmp/to_scwrl_953341251.pdb -s /var/tmp/to_scwrl_953341251.seq -o /var/tmp/from_scwrl_953341251.pdb > /var/tmp/scwrl_953341251.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_953341251.pdb # conformation set from SCWRL output # naming current conformation CaspIta-FOX_TS2-scwrl # ReadConformPDB reading from PDB file servers/CaspIta-FOX_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0369 can't currently be optimized by undertaker # naming current conformation CaspIta-FOX_TS3 # request to SCWRL produces command: ulimit -t 134 ; scwrl3 -i /var/tmp/to_scwrl_199263110.pdb -s /var/tmp/to_scwrl_199263110.seq -o /var/tmp/from_scwrl_199263110.pdb > /var/tmp/scwrl_199263110.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_199263110.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 T0369 can't currently be optimized by undertaker # naming current conformation CaspIta-FOX_TS4 # request to SCWRL produces command: ulimit -t 134 ; scwrl3 -i /var/tmp/to_scwrl_366327791.pdb -s /var/tmp/to_scwrl_366327791.seq -o /var/tmp/from_scwrl_366327791.pdb > /var/tmp/scwrl_366327791.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_366327791.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 T0369 can't currently be optimized by undertaker # naming current conformation CaspIta-FOX_TS5 # request to SCWRL produces command: ulimit -t 134 ; scwrl3 -i /var/tmp/to_scwrl_614966219.pdb -s /var/tmp/to_scwrl_614966219.seq -o /var/tmp/from_scwrl_614966219.pdb > /var/tmp/scwrl_614966219.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_614966219.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 T0369 can't currently be optimized by undertaker # naming current conformation Distill_TS1 # request to SCWRL produces command: ulimit -t 134 ; scwrl3 -i /var/tmp/to_scwrl_714223029.pdb -s /var/tmp/to_scwrl_714223029.seq -o /var/tmp/from_scwrl_714223029.pdb > /var/tmp/scwrl_714223029.log Error: Couldn't open file /var/tmp/from_scwrl_714223029.pdb or /var/tmp/from_scwrl_714223029.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_714223029_b.pdb or decoys//var/tmp/from_scwrl_714223029_b.pdb.gz for input Trying /var/tmp/from_scwrl_714223029_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_714223029_b.pdb or /var/tmp/from_scwrl_714223029_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_714223029_a.pdb or decoys//var/tmp/from_scwrl_714223029_a.pdb.gz for input Trying /var/tmp/from_scwrl_714223029_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_714223029_a.pdb or /var/tmp/from_scwrl_714223029_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_714223029.pdb or /var/tmp/from_scwrl_714223029_b.pdb or /var/tmp/from_scwrl_714223029_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 T0369 can't currently be optimized by undertaker # naming current conformation Distill_TS2 # request to SCWRL produces command: ulimit -t 134 ; scwrl3 -i /var/tmp/to_scwrl_1898386688.pdb -s /var/tmp/to_scwrl_1898386688.seq -o /var/tmp/from_scwrl_1898386688.pdb > /var/tmp/scwrl_1898386688.log Error: Couldn't open file /var/tmp/from_scwrl_1898386688.pdb or /var/tmp/from_scwrl_1898386688.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1898386688_b.pdb or decoys//var/tmp/from_scwrl_1898386688_b.pdb.gz for input Trying /var/tmp/from_scwrl_1898386688_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1898386688_b.pdb or /var/tmp/from_scwrl_1898386688_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1898386688_a.pdb or decoys//var/tmp/from_scwrl_1898386688_a.pdb.gz for input Trying /var/tmp/from_scwrl_1898386688_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1898386688_a.pdb or /var/tmp/from_scwrl_1898386688_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1898386688.pdb or /var/tmp/from_scwrl_1898386688_b.pdb or /var/tmp/from_scwrl_1898386688_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 T0369 can't currently be optimized by undertaker # naming current conformation Distill_TS3 # request to SCWRL produces command: ulimit -t 134 ; scwrl3 -i /var/tmp/to_scwrl_1158575147.pdb -s /var/tmp/to_scwrl_1158575147.seq -o /var/tmp/from_scwrl_1158575147.pdb > /var/tmp/scwrl_1158575147.log Error: Couldn't open file /var/tmp/from_scwrl_1158575147.pdb or /var/tmp/from_scwrl_1158575147.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1158575147_b.pdb or decoys//var/tmp/from_scwrl_1158575147_b.pdb.gz for input Trying /var/tmp/from_scwrl_1158575147_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1158575147_b.pdb or /var/tmp/from_scwrl_1158575147_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1158575147_a.pdb or decoys//var/tmp/from_scwrl_1158575147_a.pdb.gz for input Trying /var/tmp/from_scwrl_1158575147_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1158575147_a.pdb or /var/tmp/from_scwrl_1158575147_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1158575147.pdb or /var/tmp/from_scwrl_1158575147_b.pdb or /var/tmp/from_scwrl_1158575147_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 T0369 can't currently be optimized by undertaker # naming current conformation Distill_TS4 # request to SCWRL produces command: ulimit -t 134 ; scwrl3 -i /var/tmp/to_scwrl_2061743291.pdb -s /var/tmp/to_scwrl_2061743291.seq -o /var/tmp/from_scwrl_2061743291.pdb > /var/tmp/scwrl_2061743291.log Error: Couldn't open file /var/tmp/from_scwrl_2061743291.pdb or /var/tmp/from_scwrl_2061743291.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2061743291_b.pdb or decoys//var/tmp/from_scwrl_2061743291_b.pdb.gz for input Trying /var/tmp/from_scwrl_2061743291_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_2061743291_b.pdb or /var/tmp/from_scwrl_2061743291_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2061743291_a.pdb or decoys//var/tmp/from_scwrl_2061743291_a.pdb.gz for input Trying /var/tmp/from_scwrl_2061743291_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_2061743291_a.pdb or /var/tmp/from_scwrl_2061743291_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_2061743291.pdb or /var/tmp/from_scwrl_2061743291_b.pdb or /var/tmp/from_scwrl_2061743291_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 T0369 can't currently be optimized by undertaker # naming current conformation Distill_TS5 # request to SCWRL produces command: ulimit -t 134 ; scwrl3 -i /var/tmp/to_scwrl_356437809.pdb -s /var/tmp/to_scwrl_356437809.seq -o /var/tmp/from_scwrl_356437809.pdb > /var/tmp/scwrl_356437809.log Error: Couldn't open file /var/tmp/from_scwrl_356437809.pdb or /var/tmp/from_scwrl_356437809.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_356437809_b.pdb or decoys//var/tmp/from_scwrl_356437809_b.pdb.gz for input Trying /var/tmp/from_scwrl_356437809_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_356437809_b.pdb or /var/tmp/from_scwrl_356437809_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_356437809_a.pdb or decoys//var/tmp/from_scwrl_356437809_a.pdb.gz for input Trying /var/tmp/from_scwrl_356437809_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_356437809_a.pdb or /var/tmp/from_scwrl_356437809_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_356437809.pdb or /var/tmp/from_scwrl_356437809_b.pdb or /var/tmp/from_scwrl_356437809_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 132 # copying to AlignedFragments data structure # naming current conformation FAMSD_TS1 # request to SCWRL produces command: ulimit -t 134 ; scwrl3 -i /var/tmp/to_scwrl_1674204499.pdb -s /var/tmp/to_scwrl_1674204499.seq -o /var/tmp/from_scwrl_1674204499.pdb > /var/tmp/scwrl_1674204499.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1674204499.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 T0369 can't currently be optimized by undertaker # naming current conformation FAMSD_TS2 # request to SCWRL produces command: ulimit -t 134 ; scwrl3 -i /var/tmp/to_scwrl_235759369.pdb -s /var/tmp/to_scwrl_235759369.seq -o /var/tmp/from_scwrl_235759369.pdb > /var/tmp/scwrl_235759369.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_235759369.pdb # conformation set from SCWRL output # naming current conformation FAMSD_TS2-scwrl # ReadConformPDB reading from PDB file servers/FAMSD_TS3.pdb.gz looking for model 1 # Found a chain break before 140 # copying to AlignedFragments data structure # naming current conformation FAMSD_TS3 # request to SCWRL produces command: ulimit -t 134 ; scwrl3 -i /var/tmp/to_scwrl_841636932.pdb -s /var/tmp/to_scwrl_841636932.seq -o /var/tmp/from_scwrl_841636932.pdb > /var/tmp/scwrl_841636932.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_841636932.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 T0369 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FAMSD_TS4 # request to SCWRL produces command: ulimit -t 134 ; scwrl3 -i /var/tmp/to_scwrl_912853665.pdb -s /var/tmp/to_scwrl_912853665.seq -o /var/tmp/from_scwrl_912853665.pdb > /var/tmp/scwrl_912853665.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_912853665.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 T0369 can't currently be optimized by undertaker # naming current conformation FAMSD_TS5 # request to SCWRL produces command: ulimit -t 134 ; scwrl3 -i /var/tmp/to_scwrl_613324480.pdb -s /var/tmp/to_scwrl_613324480.seq -o /var/tmp/from_scwrl_613324480.pdb > /var/tmp/scwrl_613324480.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_613324480.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 115 # copying to AlignedFragments data structure # naming current conformation FAMS_TS1 # request to SCWRL produces command: ulimit -t 134 ; scwrl3 -i /var/tmp/to_scwrl_1563192222.pdb -s /var/tmp/to_scwrl_1563192222.seq -o /var/tmp/from_scwrl_1563192222.pdb > /var/tmp/scwrl_1563192222.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1563192222.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 T0369 can't currently be optimized by undertaker # naming current conformation FAMS_TS2 # request to SCWRL produces command: ulimit -t 134 ; scwrl3 -i /var/tmp/to_scwrl_1789258294.pdb -s /var/tmp/to_scwrl_1789258294.seq -o /var/tmp/from_scwrl_1789258294.pdb > /var/tmp/scwrl_1789258294.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1789258294.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 T0369 can't currently be optimized by undertaker # naming current conformation FAMS_TS3 # request to SCWRL produces command: ulimit -t 134 ; scwrl3 -i /var/tmp/to_scwrl_175544144.pdb -s /var/tmp/to_scwrl_175544144.seq -o /var/tmp/from_scwrl_175544144.pdb > /var/tmp/scwrl_175544144.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_175544144.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 # WARNING: incomplete conformation T0369 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FAMS_TS4 # request to SCWRL produces command: ulimit -t 134 ; scwrl3 -i /var/tmp/to_scwrl_1091651365.pdb -s /var/tmp/to_scwrl_1091651365.seq -o /var/tmp/from_scwrl_1091651365.pdb > /var/tmp/scwrl_1091651365.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1091651365.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 T0369 can't currently be optimized by undertaker # naming current conformation FAMS_TS5 # request to SCWRL produces command: ulimit -t 134 ; scwrl3 -i /var/tmp/to_scwrl_981036094.pdb -s /var/tmp/to_scwrl_981036094.seq -o /var/tmp/from_scwrl_981036094.pdb > /var/tmp/scwrl_981036094.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_981036094.pdb # conformation set from SCWRL output # naming current conformation FAMS_TS5-scwrl # ReadConformPDB reading from PDB file servers/FOLDpro_TS1.pdb.gz looking for model 1 # Found a chain break before 95 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS1 # request to SCWRL produces command: ulimit -t 134 ; scwrl3 -i /var/tmp/to_scwrl_1278381487.pdb -s /var/tmp/to_scwrl_1278381487.seq -o /var/tmp/from_scwrl_1278381487.pdb > /var/tmp/scwrl_1278381487.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1278381487.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 134 ; scwrl3 -i /var/tmp/to_scwrl_2002774885.pdb -s /var/tmp/to_scwrl_2002774885.seq -o /var/tmp/from_scwrl_2002774885.pdb > /var/tmp/scwrl_2002774885.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2002774885.pdb # conformation set from SCWRL output # naming current conformation FOLDpro_TS2-scwrl # ReadConformPDB reading from PDB file servers/FOLDpro_TS3.pdb.gz looking for model 1 # Found a chain break before 145 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS3 # request to SCWRL produces command: ulimit -t 134 ; scwrl3 -i /var/tmp/to_scwrl_1734690038.pdb -s /var/tmp/to_scwrl_1734690038.seq -o /var/tmp/from_scwrl_1734690038.pdb > /var/tmp/scwrl_1734690038.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1734690038.pdb # conformation set from SCWRL output # naming current conformation FOLDpro_TS3-scwrl # ReadConformPDB reading from PDB file servers/FOLDpro_TS4.pdb.gz looking for model 1 # naming current conformation FOLDpro_TS4 # request to SCWRL produces command: ulimit -t 134 ; scwrl3 -i /var/tmp/to_scwrl_488399384.pdb -s /var/tmp/to_scwrl_488399384.seq -o /var/tmp/from_scwrl_488399384.pdb > /var/tmp/scwrl_488399384.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_488399384.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 76 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS5 # request to SCWRL produces command: ulimit -t 134 ; scwrl3 -i /var/tmp/to_scwrl_554001719.pdb -s /var/tmp/to_scwrl_554001719.seq -o /var/tmp/from_scwrl_554001719.pdb > /var/tmp/scwrl_554001719.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_554001719.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 T0369 can't currently be optimized by undertaker # naming current conformation FORTE1_AL1 # request to SCWRL produces command: ulimit -t 134 ; scwrl3 -i /var/tmp/to_scwrl_1514110148.pdb -s /var/tmp/to_scwrl_1514110148.seq -o /var/tmp/from_scwrl_1514110148.pdb > /var/tmp/scwrl_1514110148.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1514110148.pdb # conformation set from SCWRL output # naming current conformation FORTE1_AL1-scwrl # ReadConformPDB reading from PDB file servers/FORTE1_AL2.pdb.gz looking for model 1 Skipped atom 2, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL2.pdb.gz Skipped atom 4, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL2.pdb.gz Skipped atom 6, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL2.pdb.gz Skipped atom 8, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL2.pdb.gz Skipped atom 11, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL2.pdb.gz Skipped atom 52, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL2.pdb.gz Skipped atom 57, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL2.pdb.gz Skipped atom 58, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL2.pdb.gz Skipped atom 87, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL2.pdb.gz Skipped atom 92, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL2.pdb.gz Skipped atom 109, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL2.pdb.gz Skipped atom 234, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL2.pdb.gz Skipped atom 307, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL2.pdb.gz Skipped atom 415, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL2.pdb.gz Skipped atom 417, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL2.pdb.gz Skipped atom 419, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL2.pdb.gz Skipped atom 421, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL2.pdb.gz Skipped atom 424, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL2.pdb.gz Skipped atom 525, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL2.pdb.gz Skipped atom 534, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL2.pdb.gz Skipped atom 559, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL2.pdb.gz Skipped atom 564, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL2.pdb.gz # WARNING: incomplete conformation T0369 can't currently be optimized by undertaker # naming current conformation FORTE1_AL2 # request to SCWRL produces command: ulimit -t 134 ; scwrl3 -i /var/tmp/to_scwrl_9213615.pdb -s /var/tmp/to_scwrl_9213615.seq -o /var/tmp/from_scwrl_9213615.pdb > /var/tmp/scwrl_9213615.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_9213615.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 T0369 can't currently be optimized by undertaker # naming current conformation FORTE1_AL3 # request to SCWRL produces command: ulimit -t 134 ; scwrl3 -i /var/tmp/to_scwrl_343810277.pdb -s /var/tmp/to_scwrl_343810277.seq -o /var/tmp/from_scwrl_343810277.pdb > /var/tmp/scwrl_343810277.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_343810277.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 Skipped atom 98, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz Skipped atom 100, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz Skipped atom 102, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz Skipped atom 104, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz Skipped atom 146, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz Skipped atom 148, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz Skipped atom 150, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz Skipped atom 152, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz Skipped atom 178, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz Skipped atom 180, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz Skipped atom 182, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz Skipped atom 184, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz Skipped atom 262, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz Skipped atom 264, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz Skipped atom 266, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz Skipped atom 268, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz Skipped atom 362, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz Skipped atom 364, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz Skipped atom 366, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz Skipped atom 368, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz Skipped atom 522, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz Skipped atom 524, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz Skipped atom 526, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz Skipped atom 528, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz # WARNING: incomplete conformation T0369 can't currently be optimized by undertaker # naming current conformation FORTE1_AL4 # request to SCWRL produces command: ulimit -t 134 ; scwrl3 -i /var/tmp/to_scwrl_1200002730.pdb -s /var/tmp/to_scwrl_1200002730.seq -o /var/tmp/from_scwrl_1200002730.pdb > /var/tmp/scwrl_1200002730.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1200002730.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 T0369 can't currently be optimized by undertaker # naming current conformation FORTE1_AL5 # request to SCWRL produces command: ulimit -t 134 ; scwrl3 -i /var/tmp/to_scwrl_1133673111.pdb -s /var/tmp/to_scwrl_1133673111.seq -o /var/tmp/from_scwrl_1133673111.pdb > /var/tmp/scwrl_1133673111.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1133673111.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 T0369 can't currently be optimized by undertaker # naming current conformation FORTE2_AL1 # request to SCWRL produces command: ulimit -t 134 ; scwrl3 -i /var/tmp/to_scwrl_461128153.pdb -s /var/tmp/to_scwrl_461128153.seq -o /var/tmp/from_scwrl_461128153.pdb > /var/tmp/scwrl_461128153.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_461128153.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 Skipped atom 2, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL2.pdb.gz Skipped atom 4, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL2.pdb.gz Skipped atom 6, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL2.pdb.gz Skipped atom 8, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL2.pdb.gz Skipped atom 11, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL2.pdb.gz Skipped atom 52, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL2.pdb.gz Skipped atom 57, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL2.pdb.gz Skipped atom 58, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL2.pdb.gz Skipped atom 87, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL2.pdb.gz Skipped atom 92, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL2.pdb.gz Skipped atom 109, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL2.pdb.gz Skipped atom 234, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL2.pdb.gz Skipped atom 307, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL2.pdb.gz Skipped atom 415, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL2.pdb.gz Skipped atom 417, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL2.pdb.gz Skipped atom 419, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL2.pdb.gz Skipped atom 421, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL2.pdb.gz Skipped atom 424, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL2.pdb.gz Skipped atom 525, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL2.pdb.gz Skipped atom 534, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL2.pdb.gz Skipped atom 559, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL2.pdb.gz Skipped atom 564, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL2.pdb.gz # WARNING: incomplete conformation T0369 can't currently be optimized by undertaker # naming current conformation FORTE2_AL2 # request to SCWRL produces command: ulimit -t 134 ; scwrl3 -i /var/tmp/to_scwrl_1683043301.pdb -s /var/tmp/to_scwrl_1683043301.seq -o /var/tmp/from_scwrl_1683043301.pdb > /var/tmp/scwrl_1683043301.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1683043301.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 T0369 can't currently be optimized by undertaker # naming current conformation FORTE2_AL3 # request to SCWRL produces command: ulimit -t 134 ; scwrl3 -i /var/tmp/to_scwrl_2087014362.pdb -s /var/tmp/to_scwrl_2087014362.seq -o /var/tmp/from_scwrl_2087014362.pdb > /var/tmp/scwrl_2087014362.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2087014362.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 Skipped atom 98, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL4.pdb.gz Skipped atom 100, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL4.pdb.gz Skipped atom 102, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL4.pdb.gz Skipped atom 104, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL4.pdb.gz Skipped atom 146, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL4.pdb.gz Skipped atom 148, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL4.pdb.gz Skipped atom 150, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL4.pdb.gz Skipped atom 152, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL4.pdb.gz Skipped atom 178, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL4.pdb.gz Skipped atom 180, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL4.pdb.gz Skipped atom 182, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL4.pdb.gz Skipped atom 184, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL4.pdb.gz Skipped atom 262, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL4.pdb.gz Skipped atom 264, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL4.pdb.gz Skipped atom 266, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL4.pdb.gz Skipped atom 268, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL4.pdb.gz Skipped atom 362, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL4.pdb.gz Skipped atom 364, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL4.pdb.gz Skipped atom 366, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL4.pdb.gz Skipped atom 368, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL4.pdb.gz Skipped atom 522, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL4.pdb.gz Skipped atom 524, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL4.pdb.gz Skipped atom 526, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL4.pdb.gz Skipped atom 528, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL4.pdb.gz # WARNING: incomplete conformation T0369 can't currently be optimized by undertaker # naming current conformation FORTE2_AL4 # request to SCWRL produces command: ulimit -t 134 ; scwrl3 -i /var/tmp/to_scwrl_660391263.pdb -s /var/tmp/to_scwrl_660391263.seq -o /var/tmp/from_scwrl_660391263.pdb > /var/tmp/scwrl_660391263.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_660391263.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 T0369 can't currently be optimized by undertaker # naming current conformation FORTE2_AL5 # request to SCWRL produces command: ulimit -t 134 ; scwrl3 -i /var/tmp/to_scwrl_2049371092.pdb -s /var/tmp/to_scwrl_2049371092.seq -o /var/tmp/from_scwrl_2049371092.pdb > /var/tmp/scwrl_2049371092.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2049371092.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 103 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS1 # request to SCWRL produces command: ulimit -t 134 ; scwrl3 -i /var/tmp/to_scwrl_554496934.pdb -s /var/tmp/to_scwrl_554496934.seq -o /var/tmp/from_scwrl_554496934.pdb > /var/tmp/scwrl_554496934.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_554496934.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 133 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS2 # request to SCWRL produces command: ulimit -t 134 ; scwrl3 -i /var/tmp/to_scwrl_1374614291.pdb -s /var/tmp/to_scwrl_1374614291.seq -o /var/tmp/from_scwrl_1374614291.pdb > /var/tmp/scwrl_1374614291.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1374614291.pdb # conformation set from SCWRL output # naming current conformation FPSOLVER-SERVER_TS2-scwrl # ReadConformPDB reading from PDB file servers/FPSOLVER-SERVER_TS3.pdb.gz looking for model 1 # naming current conformation FPSOLVER-SERVER_TS3 # request to SCWRL produces command: ulimit -t 134 ; scwrl3 -i /var/tmp/to_scwrl_1800274133.pdb -s /var/tmp/to_scwrl_1800274133.seq -o /var/tmp/from_scwrl_1800274133.pdb > /var/tmp/scwrl_1800274133.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1800274133.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 147 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS4 # request to SCWRL produces command: ulimit -t 134 ; scwrl3 -i /var/tmp/to_scwrl_1713072081.pdb -s /var/tmp/to_scwrl_1713072081.seq -o /var/tmp/from_scwrl_1713072081.pdb > /var/tmp/scwrl_1713072081.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1713072081.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 61 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS5 # request to SCWRL produces command: ulimit -t 134 ; scwrl3 -i /var/tmp/to_scwrl_1288873935.pdb -s /var/tmp/to_scwrl_1288873935.seq -o /var/tmp/from_scwrl_1288873935.pdb > /var/tmp/scwrl_1288873935.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1288873935.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 T0369 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FUGMOD_TS1 # request to SCWRL produces command: ulimit -t 134 ; scwrl3 -i /var/tmp/to_scwrl_9228296.pdb -s /var/tmp/to_scwrl_9228296.seq -o /var/tmp/from_scwrl_9228296.pdb > /var/tmp/scwrl_9228296.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_9228296.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 # Found a chain break before 97 # copying to AlignedFragments data structure # naming current conformation FUGMOD_TS2 # request to SCWRL produces command: ulimit -t 134 ; scwrl3 -i /var/tmp/to_scwrl_1239792934.pdb -s /var/tmp/to_scwrl_1239792934.seq -o /var/tmp/from_scwrl_1239792934.pdb > /var/tmp/scwrl_1239792934.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1239792934.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 # Found a chain break before 65 # copying to AlignedFragments data structure # naming current conformation FUGMOD_TS3 # request to SCWRL produces command: ulimit -t 134 ; scwrl3 -i /var/tmp/to_scwrl_1524633304.pdb -s /var/tmp/to_scwrl_1524633304.seq -o /var/tmp/from_scwrl_1524633304.pdb > /var/tmp/scwrl_1524633304.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1524633304.pdb # conformation set from SCWRL output # naming current conformation FUGMOD_TS3-scwrl # ReadConformPDB reading from PDB file servers/FUGMOD_TS4.pdb.gz looking for model 1 # Found a chain break before 73 # copying to AlignedFragments data structure # naming current conformation FUGMOD_TS4 # request to SCWRL produces command: ulimit -t 134 ; scwrl3 -i /var/tmp/to_scwrl_850865228.pdb -s /var/tmp/to_scwrl_850865228.seq -o /var/tmp/from_scwrl_850865228.pdb > /var/tmp/scwrl_850865228.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_850865228.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 134 ; scwrl3 -i /var/tmp/to_scwrl_5162952.pdb -s /var/tmp/to_scwrl_5162952.seq -o /var/tmp/from_scwrl_5162952.pdb > /var/tmp/scwrl_5162952.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_5162952.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 Skipped atom 2, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL1.pdb.gz Skipped atom 4, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL1.pdb.gz Skipped atom 6, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL1.pdb.gz Skipped atom 8, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL1.pdb.gz Skipped atom 47, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL1.pdb.gz Skipped atom 76, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL1.pdb.gz Skipped atom 81, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL1.pdb.gz Skipped atom 98, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL1.pdb.gz Skipped atom 223, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL1.pdb.gz Skipped atom 300, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL1.pdb.gz Skipped atom 400, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL1.pdb.gz Skipped atom 402, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL1.pdb.gz Skipped atom 404, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL1.pdb.gz Skipped atom 406, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL1.pdb.gz Skipped atom 409, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL1.pdb.gz Skipped atom 506, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL1.pdb.gz Skipped atom 515, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL1.pdb.gz Skipped atom 540, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL1.pdb.gz Skipped atom 545, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL1.pdb.gz # WARNING: incomplete conformation T0369 can't currently be optimized by undertaker # naming current conformation FUGUE_AL1 # request to SCWRL produces command: ulimit -t 134 ; scwrl3 -i /var/tmp/to_scwrl_2137957785.pdb -s /var/tmp/to_scwrl_2137957785.seq -o /var/tmp/from_scwrl_2137957785.pdb > /var/tmp/scwrl_2137957785.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2137957785.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 T0369 can't currently be optimized by undertaker # naming current conformation FUGUE_AL2 # request to SCWRL produces command: ulimit -t 134 ; scwrl3 -i /var/tmp/to_scwrl_266573803.pdb -s /var/tmp/to_scwrl_266573803.seq -o /var/tmp/from_scwrl_266573803.pdb > /var/tmp/scwrl_266573803.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_266573803.pdb # conformation set from SCWRL output # naming current conformation FUGUE_AL2-scwrl # ReadConformPDB reading from PDB file servers/FUGUE_AL3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0369 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FUGUE_AL3 # request to SCWRL produces command: ulimit -t 134 ; scwrl3 -i /var/tmp/to_scwrl_1794421246.pdb -s /var/tmp/to_scwrl_1794421246.seq -o /var/tmp/from_scwrl_1794421246.pdb > /var/tmp/scwrl_1794421246.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1794421246.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 T0369 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FUGUE_AL4 # request to SCWRL produces command: ulimit -t 134 ; scwrl3 -i /var/tmp/to_scwrl_166018282.pdb -s /var/tmp/to_scwrl_166018282.seq -o /var/tmp/from_scwrl_166018282.pdb > /var/tmp/scwrl_166018282.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_166018282.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 T0369 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FUGUE_AL5 # request to SCWRL produces command: ulimit -t 134 ; scwrl3 -i /var/tmp/to_scwrl_1358225169.pdb -s /var/tmp/to_scwrl_1358225169.seq -o /var/tmp/from_scwrl_1358225169.pdb > /var/tmp/scwrl_1358225169.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1358225169.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 142 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS1 # request to SCWRL produces command: ulimit -t 134 ; scwrl3 -i /var/tmp/to_scwrl_627973693.pdb -s /var/tmp/to_scwrl_627973693.seq -o /var/tmp/from_scwrl_627973693.pdb > /var/tmp/scwrl_627973693.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_627973693.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 116 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS2 # request to SCWRL produces command: ulimit -t 134 ; scwrl3 -i /var/tmp/to_scwrl_1444399769.pdb -s /var/tmp/to_scwrl_1444399769.seq -o /var/tmp/from_scwrl_1444399769.pdb > /var/tmp/scwrl_1444399769.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1444399769.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 139 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS3 # request to SCWRL produces command: ulimit -t 134 ; scwrl3 -i /var/tmp/to_scwrl_1213516407.pdb -s /var/tmp/to_scwrl_1213516407.seq -o /var/tmp/from_scwrl_1213516407.pdb > /var/tmp/scwrl_1213516407.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1213516407.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 147 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS4 # request to SCWRL produces command: ulimit -t 134 ; scwrl3 -i /var/tmp/to_scwrl_215180084.pdb -s /var/tmp/to_scwrl_215180084.seq -o /var/tmp/from_scwrl_215180084.pdb > /var/tmp/scwrl_215180084.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_215180084.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 144 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS5 # request to SCWRL produces command: ulimit -t 134 ; scwrl3 -i /var/tmp/to_scwrl_1932799153.pdb -s /var/tmp/to_scwrl_1932799153.seq -o /var/tmp/from_scwrl_1932799153.pdb > /var/tmp/scwrl_1932799153.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1932799153.pdb # conformation set from SCWRL output # naming current conformation FUNCTION_TS5-scwrl # ReadConformPDB reading from PDB file servers/Frankenstein_TS1.pdb.gz looking for model 1 # naming current conformation Frankenstein_TS1 # request to SCWRL produces command: ulimit -t 134 ; scwrl3 -i /var/tmp/to_scwrl_1767518127.pdb -s /var/tmp/to_scwrl_1767518127.seq -o /var/tmp/from_scwrl_1767518127.pdb > /var/tmp/scwrl_1767518127.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1767518127.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 76 # copying to AlignedFragments data structure # naming current conformation Frankenstein_TS2 # request to SCWRL produces command: ulimit -t 134 ; scwrl3 -i /var/tmp/to_scwrl_1729290232.pdb -s /var/tmp/to_scwrl_1729290232.seq -o /var/tmp/from_scwrl_1729290232.pdb > /var/tmp/scwrl_1729290232.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1729290232.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 # naming current conformation Frankenstein_TS3 # request to SCWRL produces command: ulimit -t 134 ; scwrl3 -i /var/tmp/to_scwrl_1942012768.pdb -s /var/tmp/to_scwrl_1942012768.seq -o /var/tmp/from_scwrl_1942012768.pdb > /var/tmp/scwrl_1942012768.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1942012768.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 72 # copying to AlignedFragments data structure # naming current conformation Frankenstein_TS4 # request to SCWRL produces command: ulimit -t 134 ; scwrl3 -i /var/tmp/to_scwrl_2111328404.pdb -s /var/tmp/to_scwrl_2111328404.seq -o /var/tmp/from_scwrl_2111328404.pdb > /var/tmp/scwrl_2111328404.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2111328404.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 134 ; scwrl3 -i /var/tmp/to_scwrl_781809317.pdb -s /var/tmp/to_scwrl_781809317.seq -o /var/tmp/from_scwrl_781809317.pdb > /var/tmp/scwrl_781809317.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_781809317.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 # WARNING: incomplete conformation T0369 can't currently be optimized by undertaker # naming current conformation GeneSilicoMetaServer_TS1 # request to SCWRL produces command: ulimit -t 134 ; scwrl3 -i /var/tmp/to_scwrl_928202234.pdb -s /var/tmp/to_scwrl_928202234.seq -o /var/tmp/from_scwrl_928202234.pdb > /var/tmp/scwrl_928202234.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_928202234.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 # WARNING: incomplete conformation T0369 can't currently be optimized by undertaker # naming current conformation GeneSilicoMetaServer_TS2 # request to SCWRL produces command: ulimit -t 134 ; scwrl3 -i /var/tmp/to_scwrl_424972910.pdb -s /var/tmp/to_scwrl_424972910.seq -o /var/tmp/from_scwrl_424972910.pdb > /var/tmp/scwrl_424972910.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_424972910.pdb # conformation set from SCWRL output # naming current conformation GeneSilicoMetaServer_TS2-scwrl # ReadConformPDB reading from PDB file servers/GeneSilicoMetaServer_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0369 can't currently be optimized by undertaker # naming current conformation GeneSilicoMetaServer_TS3 # request to SCWRL produces command: ulimit -t 134 ; scwrl3 -i /var/tmp/to_scwrl_317368971.pdb -s /var/tmp/to_scwrl_317368971.seq -o /var/tmp/from_scwrl_317368971.pdb > /var/tmp/scwrl_317368971.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_317368971.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 # Found a chain break before 73 # copying to AlignedFragments data structure # naming current conformation GeneSilicoMetaServer_TS4 # request to SCWRL produces command: ulimit -t 134 ; scwrl3 -i /var/tmp/to_scwrl_867732949.pdb -s /var/tmp/to_scwrl_867732949.seq -o /var/tmp/from_scwrl_867732949.pdb > /var/tmp/scwrl_867732949.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_867732949.pdb # conformation set from SCWRL output # naming current conformation GeneSilicoMetaServer_TS4-scwrl # ReadConformPDB reading from PDB file servers/GeneSilicoMetaServer_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0369 can't currently be optimized by undertaker # naming current conformation GeneSilicoMetaServer_TS5 # request to SCWRL produces command: ulimit -t 134 ; scwrl3 -i /var/tmp/to_scwrl_1085364172.pdb -s /var/tmp/to_scwrl_1085364172.seq -o /var/tmp/from_scwrl_1085364172.pdb > /var/tmp/scwrl_1085364172.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1085364172.pdb # conformation set from SCWRL output # naming current conformation GeneSilicoMetaServer_TS5-scwrl # ReadConformPDB reading from PDB file servers/HHpred1_TS1.pdb.gz looking for model 1 # naming current conformation HHpred1_TS1 # request to SCWRL produces command: ulimit -t 134 ; scwrl3 -i /var/tmp/to_scwrl_219256417.pdb -s /var/tmp/to_scwrl_219256417.seq -o /var/tmp/from_scwrl_219256417.pdb > /var/tmp/scwrl_219256417.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_219256417.pdb # conformation set from SCWRL output # naming current conformation HHpred1_TS1-scwrl # ReadConformPDB reading from PDB file servers/HHpred2_TS1.pdb.gz looking for model 1 # Found a chain break before 25 # copying to AlignedFragments data structure # naming current conformation HHpred2_TS1 # request to SCWRL produces command: ulimit -t 134 ; scwrl3 -i /var/tmp/to_scwrl_1422229883.pdb -s /var/tmp/to_scwrl_1422229883.seq -o /var/tmp/from_scwrl_1422229883.pdb > /var/tmp/scwrl_1422229883.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1422229883.pdb # conformation set from SCWRL output # naming current conformation HHpred2_TS1-scwrl # ReadConformPDB reading from PDB file servers/HHpred3_TS1.pdb.gz looking for model 1 # Found a chain break before 87 # copying to AlignedFragments data structure # naming current conformation HHpred3_TS1 # request to SCWRL produces command: ulimit -t 134 ; scwrl3 -i /var/tmp/to_scwrl_312494817.pdb -s /var/tmp/to_scwrl_312494817.seq -o /var/tmp/from_scwrl_312494817.pdb > /var/tmp/scwrl_312494817.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_312494817.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 T0369 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS1 # request to SCWRL produces command: ulimit -t 134 ; scwrl3 -i /var/tmp/to_scwrl_2019530550.pdb -s /var/tmp/to_scwrl_2019530550.seq -o /var/tmp/from_scwrl_2019530550.pdb > /var/tmp/scwrl_2019530550.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2019530550.pdb # conformation set from SCWRL output # naming current conformation Huber-Torda-Server_TS1-scwrl # ReadConformPDB reading from PDB file servers/Huber-Torda-Server_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0369 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS2 # request to SCWRL produces command: ulimit -t 134 ; scwrl3 -i /var/tmp/to_scwrl_987818318.pdb -s /var/tmp/to_scwrl_987818318.seq -o /var/tmp/from_scwrl_987818318.pdb > /var/tmp/scwrl_987818318.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_987818318.pdb # conformation set from SCWRL output # naming current conformation Huber-Torda-Server_TS2-scwrl # ReadConformPDB reading from PDB file servers/Huber-Torda-Server_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0369 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS3 # request to SCWRL produces command: ulimit -t 134 ; scwrl3 -i /var/tmp/to_scwrl_1601368752.pdb -s /var/tmp/to_scwrl_1601368752.seq -o /var/tmp/from_scwrl_1601368752.pdb > /var/tmp/scwrl_1601368752.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1601368752.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 T0369 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS4 # request to SCWRL produces command: ulimit -t 134 ; scwrl3 -i /var/tmp/to_scwrl_2028758846.pdb -s /var/tmp/to_scwrl_2028758846.seq -o /var/tmp/from_scwrl_2028758846.pdb > /var/tmp/scwrl_2028758846.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2028758846.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 T0369 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS5 # request to SCWRL produces command: ulimit -t 134 ; scwrl3 -i /var/tmp/to_scwrl_80127605.pdb -s /var/tmp/to_scwrl_80127605.seq -o /var/tmp/from_scwrl_80127605.pdb > /var/tmp/scwrl_80127605.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_80127605.pdb # conformation set from SCWRL output # naming current conformation Huber-Torda-Server_TS5-scwrl # ReadConformPDB reading from PDB file servers/LOOPP_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0369 can't currently be optimized by undertaker # naming current conformation LOOPP_TS1 # request to SCWRL produces command: ulimit -t 134 ; scwrl3 -i /var/tmp/to_scwrl_978518410.pdb -s /var/tmp/to_scwrl_978518410.seq -o /var/tmp/from_scwrl_978518410.pdb > /var/tmp/scwrl_978518410.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_978518410.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 # Found a chain break before 111 # copying to AlignedFragments data structure # naming current conformation LOOPP_TS2 # request to SCWRL produces command: ulimit -t 134 ; scwrl3 -i /var/tmp/to_scwrl_732140428.pdb -s /var/tmp/to_scwrl_732140428.seq -o /var/tmp/from_scwrl_732140428.pdb > /var/tmp/scwrl_732140428.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_732140428.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 T0369 can't currently be optimized by undertaker # naming current conformation LOOPP_TS3 # request to SCWRL produces command: ulimit -t 134 ; scwrl3 -i /var/tmp/to_scwrl_85290558.pdb -s /var/tmp/to_scwrl_85290558.seq -o /var/tmp/from_scwrl_85290558.pdb > /var/tmp/scwrl_85290558.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_85290558.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 T0369 can't currently be optimized by undertaker # naming current conformation LOOPP_TS4 # request to SCWRL produces command: ulimit -t 134 ; scwrl3 -i /var/tmp/to_scwrl_968992548.pdb -s /var/tmp/to_scwrl_968992548.seq -o /var/tmp/from_scwrl_968992548.pdb > /var/tmp/scwrl_968992548.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_968992548.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 T0369 can't currently be optimized by undertaker # naming current conformation LOOPP_TS5 # request to SCWRL produces command: ulimit -t 134 ; scwrl3 -i /var/tmp/to_scwrl_998714231.pdb -s /var/tmp/to_scwrl_998714231.seq -o /var/tmp/from_scwrl_998714231.pdb > /var/tmp/scwrl_998714231.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_998714231.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 T0369 can't currently be optimized by undertaker # naming current conformation MIG_FROST_AL1 # request to SCWRL produces command: ulimit -t 134 ; scwrl3 -i /var/tmp/to_scwrl_1879711804.pdb -s /var/tmp/to_scwrl_1879711804.seq -o /var/tmp/from_scwrl_1879711804.pdb > /var/tmp/scwrl_1879711804.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1879711804.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 131 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server2_TS1 # request to SCWRL produces command: ulimit -t 134 ; scwrl3 -i /var/tmp/to_scwrl_1135010830.pdb -s /var/tmp/to_scwrl_1135010830.seq -o /var/tmp/from_scwrl_1135010830.pdb > /var/tmp/scwrl_1135010830.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1135010830.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 136 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server2_TS2 # request to SCWRL produces command: ulimit -t 134 ; scwrl3 -i /var/tmp/to_scwrl_209455753.pdb -s /var/tmp/to_scwrl_209455753.seq -o /var/tmp/from_scwrl_209455753.pdb > /var/tmp/scwrl_209455753.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_209455753.pdb # conformation set from SCWRL output # naming current conformation Ma-OPUS-server2_TS2-scwrl # ReadConformPDB reading from PDB file servers/Ma-OPUS-server2_TS3.pdb.gz looking for model 1 # naming current conformation Ma-OPUS-server2_TS3 # request to SCWRL produces command: ulimit -t 134 ; scwrl3 -i /var/tmp/to_scwrl_360201851.pdb -s /var/tmp/to_scwrl_360201851.seq -o /var/tmp/from_scwrl_360201851.pdb > /var/tmp/scwrl_360201851.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_360201851.pdb # conformation set from SCWRL output # naming current conformation Ma-OPUS-server2_TS3-scwrl # ReadConformPDB reading from PDB file servers/Ma-OPUS-server2_TS4.pdb.gz looking for model 1 # Found a chain break before 74 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server2_TS4 # request to SCWRL produces command: ulimit -t 134 ; scwrl3 -i /var/tmp/to_scwrl_431926953.pdb -s /var/tmp/to_scwrl_431926953.seq -o /var/tmp/from_scwrl_431926953.pdb > /var/tmp/scwrl_431926953.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_431926953.pdb # conformation set from SCWRL output # naming current conformation Ma-OPUS-server2_TS4-scwrl # ReadConformPDB reading from PDB file servers/Ma-OPUS-server2_TS5.pdb.gz looking for model 1 # Found a chain break before 133 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server2_TS5 # request to SCWRL produces command: ulimit -t 134 ; scwrl3 -i /var/tmp/to_scwrl_1422972161.pdb -s /var/tmp/to_scwrl_1422972161.seq -o /var/tmp/from_scwrl_1422972161.pdb > /var/tmp/scwrl_1422972161.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1422972161.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 131 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS1 # request to SCWRL produces command: ulimit -t 134 ; scwrl3 -i /var/tmp/to_scwrl_575381935.pdb -s /var/tmp/to_scwrl_575381935.seq -o /var/tmp/from_scwrl_575381935.pdb > /var/tmp/scwrl_575381935.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_575381935.pdb # conformation set from SCWRL output # naming current conformation Ma-OPUS-server_TS1-scwrl # ReadConformPDB reading from PDB file servers/Ma-OPUS-server_TS2.pdb.gz looking for model 1 # naming current conformation Ma-OPUS-server_TS2 # request to SCWRL produces command: ulimit -t 134 ; scwrl3 -i /var/tmp/to_scwrl_217242460.pdb -s /var/tmp/to_scwrl_217242460.seq -o /var/tmp/from_scwrl_217242460.pdb > /var/tmp/scwrl_217242460.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_217242460.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 14 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS3 # request to SCWRL produces command: ulimit -t 134 ; scwrl3 -i /var/tmp/to_scwrl_1043006642.pdb -s /var/tmp/to_scwrl_1043006642.seq -o /var/tmp/from_scwrl_1043006642.pdb > /var/tmp/scwrl_1043006642.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1043006642.pdb # conformation set from SCWRL output # naming current conformation Ma-OPUS-server_TS3-scwrl # ReadConformPDB reading from PDB file servers/Ma-OPUS-server_TS4.pdb.gz looking for model 1 # naming current conformation Ma-OPUS-server_TS4 # request to SCWRL produces command: ulimit -t 134 ; scwrl3 -i /var/tmp/to_scwrl_157188521.pdb -s /var/tmp/to_scwrl_157188521.seq -o /var/tmp/from_scwrl_157188521.pdb > /var/tmp/scwrl_157188521.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_157188521.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 145 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS5 # request to SCWRL produces command: ulimit -t 134 ; scwrl3 -i /var/tmp/to_scwrl_11771581.pdb -s /var/tmp/to_scwrl_11771581.seq -o /var/tmp/from_scwrl_11771581.pdb > /var/tmp/scwrl_11771581.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_11771581.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 139 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS1 # request to SCWRL produces command: ulimit -t 134 ; scwrl3 -i /var/tmp/to_scwrl_1006851399.pdb -s /var/tmp/to_scwrl_1006851399.seq -o /var/tmp/from_scwrl_1006851399.pdb > /var/tmp/scwrl_1006851399.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1006851399.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 112 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS2 # request to SCWRL produces command: ulimit -t 134 ; scwrl3 -i /var/tmp/to_scwrl_938997838.pdb -s /var/tmp/to_scwrl_938997838.seq -o /var/tmp/from_scwrl_938997838.pdb > /var/tmp/scwrl_938997838.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_938997838.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 139 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS3 # request to SCWRL produces command: ulimit -t 134 ; scwrl3 -i /var/tmp/to_scwrl_939973815.pdb -s /var/tmp/to_scwrl_939973815.seq -o /var/tmp/from_scwrl_939973815.pdb > /var/tmp/scwrl_939973815.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_939973815.pdb # conformation set from SCWRL output # naming current conformation MetaTasser_TS3-scwrl # ReadConformPDB reading from PDB file servers/MetaTasser_TS4.pdb.gz looking for model 1 # Found a chain break before 140 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS4 # request to SCWRL produces command: ulimit -t 134 ; scwrl3 -i /var/tmp/to_scwrl_1431824308.pdb -s /var/tmp/to_scwrl_1431824308.seq -o /var/tmp/from_scwrl_1431824308.pdb > /var/tmp/scwrl_1431824308.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1431824308.pdb # conformation set from SCWRL output # naming current conformation MetaTasser_TS4-scwrl # ReadConformPDB reading from PDB file servers/MetaTasser_TS5.pdb.gz looking for model 1 # Found a chain break before 112 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS5 # request to SCWRL produces command: ulimit -t 134 ; scwrl3 -i /var/tmp/to_scwrl_1256366808.pdb -s /var/tmp/to_scwrl_1256366808.seq -o /var/tmp/from_scwrl_1256366808.pdb > /var/tmp/scwrl_1256366808.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1256366808.pdb # conformation set from SCWRL output # naming current conformation MetaTasser_TS5-scwrl # ReadConformPDB reading from PDB file servers/NN_PUT_lab_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0369 can't currently be optimized by undertaker # naming current conformation NN_PUT_lab_TS1 # request to SCWRL produces command: ulimit -t 134 ; scwrl3 -i /var/tmp/to_scwrl_1807706764.pdb -s /var/tmp/to_scwrl_1807706764.seq -o /var/tmp/from_scwrl_1807706764.pdb > /var/tmp/scwrl_1807706764.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1807706764.pdb # conformation set from SCWRL output # naming current conformation NN_PUT_lab_TS1-scwrl # ReadConformPDB reading from PDB file servers/POMYSL_TS1.pdb.gz looking for model 1 WARNING: atom 1 has residue number 27 < previous residue 148 in servers/POMYSL_TS1.pdb.gz # WARNING: incomplete conformation T0369 can't currently be optimized by undertaker # naming current conformation POMYSL_TS1 # request to SCWRL produces command: ulimit -t 134 ; scwrl3 -i /var/tmp/to_scwrl_369704834.pdb -s /var/tmp/to_scwrl_369704834.seq -o /var/tmp/from_scwrl_369704834.pdb > /var/tmp/scwrl_369704834.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_369704834.pdb # conformation set from SCWRL output # naming current conformation POMYSL_TS1-scwrl # ReadConformPDB reading from PDB file servers/POMYSL_TS2.pdb.gz looking for model 1 WARNING: atom 1 has residue number 27 < previous residue 148 in servers/POMYSL_TS2.pdb.gz # WARNING: incomplete conformation T0369 can't currently be optimized by undertaker # naming current conformation POMYSL_TS2 # request to SCWRL produces command: ulimit -t 134 ; scwrl3 -i /var/tmp/to_scwrl_1475623225.pdb -s /var/tmp/to_scwrl_1475623225.seq -o /var/tmp/from_scwrl_1475623225.pdb > /var/tmp/scwrl_1475623225.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1475623225.pdb # conformation set from SCWRL output # naming current conformation POMYSL_TS2-scwrl # ReadConformPDB reading from PDB file servers/POMYSL_TS3.pdb.gz looking for model 1 # Found a chain break before 134 # copying to AlignedFragments data structure # naming current conformation POMYSL_TS3 # request to SCWRL produces command: ulimit -t 134 ; scwrl3 -i /var/tmp/to_scwrl_1082453000.pdb -s /var/tmp/to_scwrl_1082453000.seq -o /var/tmp/from_scwrl_1082453000.pdb > /var/tmp/scwrl_1082453000.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1082453000.pdb # conformation set from SCWRL output # naming current conformation POMYSL_TS3-scwrl # ReadConformPDB reading from PDB file servers/POMYSL_TS4.pdb.gz looking for model 1 # Found a chain break before 142 # copying to AlignedFragments data structure # naming current conformation POMYSL_TS4 # request to SCWRL produces command: ulimit -t 134 ; scwrl3 -i /var/tmp/to_scwrl_682199651.pdb -s /var/tmp/to_scwrl_682199651.seq -o /var/tmp/from_scwrl_682199651.pdb > /var/tmp/scwrl_682199651.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_682199651.pdb # conformation set from SCWRL output # naming current conformation POMYSL_TS4-scwrl # ReadConformPDB reading from PDB file servers/POMYSL_TS5.pdb.gz looking for model 1 # Found a chain break before 129 # copying to AlignedFragments data structure # naming current conformation POMYSL_TS5 # request to SCWRL produces command: ulimit -t 134 ; scwrl3 -i /var/tmp/to_scwrl_1347670129.pdb -s /var/tmp/to_scwrl_1347670129.seq -o /var/tmp/from_scwrl_1347670129.pdb > /var/tmp/scwrl_1347670129.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1347670129.pdb # conformation set from SCWRL output # naming current conformation POMYSL_TS5-scwrl # ReadConformPDB reading from PDB file servers/PROTINFO-AB_TS1.pdb.gz looking for model 1 # Found a chain break before 88 # copying to AlignedFragments data structure # naming current conformation PROTINFO-AB_TS1 # request to SCWRL produces command: ulimit -t 134 ; scwrl3 -i /var/tmp/to_scwrl_2070271318.pdb -s /var/tmp/to_scwrl_2070271318.seq -o /var/tmp/from_scwrl_2070271318.pdb > /var/tmp/scwrl_2070271318.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2070271318.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 # Found a chain break before 92 # copying to AlignedFragments data structure # naming current conformation PROTINFO-AB_TS2 # request to SCWRL produces command: ulimit -t 134 ; scwrl3 -i /var/tmp/to_scwrl_136084756.pdb -s /var/tmp/to_scwrl_136084756.seq -o /var/tmp/from_scwrl_136084756.pdb > /var/tmp/scwrl_136084756.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_136084756.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 # Found a chain break before 96 # copying to AlignedFragments data structure # naming current conformation PROTINFO-AB_TS3 # request to SCWRL produces command: ulimit -t 134 ; scwrl3 -i /var/tmp/to_scwrl_1228945328.pdb -s /var/tmp/to_scwrl_1228945328.seq -o /var/tmp/from_scwrl_1228945328.pdb > /var/tmp/scwrl_1228945328.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1228945328.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 # Found a chain break before 88 # copying to AlignedFragments data structure # naming current conformation PROTINFO-AB_TS4 # request to SCWRL produces command: ulimit -t 134 ; scwrl3 -i /var/tmp/to_scwrl_2915277.pdb -s /var/tmp/to_scwrl_2915277.seq -o /var/tmp/from_scwrl_2915277.pdb > /var/tmp/scwrl_2915277.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2915277.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 134 ; scwrl3 -i /var/tmp/to_scwrl_1114603165.pdb -s /var/tmp/to_scwrl_1114603165.seq -o /var/tmp/from_scwrl_1114603165.pdb > /var/tmp/scwrl_1114603165.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1114603165.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 134 ; scwrl3 -i /var/tmp/to_scwrl_1961085756.pdb -s /var/tmp/to_scwrl_1961085756.seq -o /var/tmp/from_scwrl_1961085756.pdb > /var/tmp/scwrl_1961085756.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1961085756.pdb # conformation set from SCWRL output # naming current conformation PROTINFO_TS1-scwrl # ReadConformPDB reading from PDB file servers/PROTINFO_TS2.pdb.gz looking for model 1 # naming current conformation PROTINFO_TS2 # request to SCWRL produces command: ulimit -t 134 ; scwrl3 -i /var/tmp/to_scwrl_88205835.pdb -s /var/tmp/to_scwrl_88205835.seq -o /var/tmp/from_scwrl_88205835.pdb > /var/tmp/scwrl_88205835.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_88205835.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 146 # copying to AlignedFragments data structure # naming current conformation PROTINFO_TS3 # request to SCWRL produces command: ulimit -t 134 ; scwrl3 -i /var/tmp/to_scwrl_2083595714.pdb -s /var/tmp/to_scwrl_2083595714.seq -o /var/tmp/from_scwrl_2083595714.pdb > /var/tmp/scwrl_2083595714.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2083595714.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 119 # copying to AlignedFragments data structure # naming current conformation PROTINFO_TS4 # request to SCWRL produces command: ulimit -t 134 ; scwrl3 -i /var/tmp/to_scwrl_812316341.pdb -s /var/tmp/to_scwrl_812316341.seq -o /var/tmp/from_scwrl_812316341.pdb > /var/tmp/scwrl_812316341.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_812316341.pdb # conformation set from SCWRL output # naming current conformation PROTINFO_TS4-scwrl # ReadConformPDB reading from PDB file servers/PROTINFO_TS5.pdb.gz looking for model 1 # Found a chain break before 88 # copying to AlignedFragments data structure # naming current conformation PROTINFO_TS5 # request to SCWRL produces command: ulimit -t 134 ; scwrl3 -i /var/tmp/to_scwrl_1967917639.pdb -s /var/tmp/to_scwrl_1967917639.seq -o /var/tmp/from_scwrl_1967917639.pdb > /var/tmp/scwrl_1967917639.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1967917639.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 T0369 can't currently be optimized by undertaker # naming current conformation Pcons6_TS1 # request to SCWRL produces command: ulimit -t 134 ; scwrl3 -i /var/tmp/to_scwrl_1071122898.pdb -s /var/tmp/to_scwrl_1071122898.seq -o /var/tmp/from_scwrl_1071122898.pdb > /var/tmp/scwrl_1071122898.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1071122898.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 T0369 can't currently be optimized by undertaker # naming current conformation Pcons6_TS2 # request to SCWRL produces command: ulimit -t 134 ; scwrl3 -i /var/tmp/to_scwrl_1021772094.pdb -s /var/tmp/to_scwrl_1021772094.seq -o /var/tmp/from_scwrl_1021772094.pdb > /var/tmp/scwrl_1021772094.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1021772094.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 T0369 can't currently be optimized by undertaker # naming current conformation Pcons6_TS3 # request to SCWRL produces command: ulimit -t 134 ; scwrl3 -i /var/tmp/to_scwrl_180635843.pdb -s /var/tmp/to_scwrl_180635843.seq -o /var/tmp/from_scwrl_180635843.pdb > /var/tmp/scwrl_180635843.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_180635843.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 T0369 can't currently be optimized by undertaker # naming current conformation Pcons6_TS4 # request to SCWRL produces command: ulimit -t 134 ; scwrl3 -i /var/tmp/to_scwrl_1503049850.pdb -s /var/tmp/to_scwrl_1503049850.seq -o /var/tmp/from_scwrl_1503049850.pdb > /var/tmp/scwrl_1503049850.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1503049850.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 T0369 can't currently be optimized by undertaker # naming current conformation Pcons6_TS5 # request to SCWRL produces command: ulimit -t 134 ; scwrl3 -i /var/tmp/to_scwrl_297260608.pdb -s /var/tmp/to_scwrl_297260608.seq -o /var/tmp/from_scwrl_297260608.pdb > /var/tmp/scwrl_297260608.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_297260608.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 T0369 can't currently be optimized by undertaker # naming current conformation Phyre-1_TS1 # request to SCWRL produces command: ulimit -t 134 ; scwrl3 -i /var/tmp/to_scwrl_756017779.pdb -s /var/tmp/to_scwrl_756017779.seq -o /var/tmp/from_scwrl_756017779.pdb > /var/tmp/scwrl_756017779.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_756017779.pdb # conformation set from SCWRL output # naming current conformation Phyre-1_TS1-scwrl # ReadConformPDB reading from PDB file servers/Phyre-2_TS1.pdb.gz looking for model 1 # Found a chain break before 80 # copying to AlignedFragments data structure # naming current conformation Phyre-2_TS1 # request to SCWRL produces command: ulimit -t 134 ; scwrl3 -i /var/tmp/to_scwrl_1720292310.pdb -s /var/tmp/to_scwrl_1720292310.seq -o /var/tmp/from_scwrl_1720292310.pdb > /var/tmp/scwrl_1720292310.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1720292310.pdb # conformation set from SCWRL output # naming current conformation Phyre-2_TS1-scwrl # ReadConformPDB reading from PDB file servers/Phyre-2_TS2.pdb.gz looking for model 1 # Found a chain break before 145 # copying to AlignedFragments data structure # naming current conformation Phyre-2_TS2 # request to SCWRL produces command: ulimit -t 134 ; scwrl3 -i /var/tmp/to_scwrl_1340267249.pdb -s /var/tmp/to_scwrl_1340267249.seq -o /var/tmp/from_scwrl_1340267249.pdb > /var/tmp/scwrl_1340267249.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1340267249.pdb # conformation set from SCWRL output # naming current conformation Phyre-2_TS2-scwrl # ReadConformPDB reading from PDB file servers/Phyre-2_TS3.pdb.gz looking for model 1 # Found a chain break before 146 # copying to AlignedFragments data structure # naming current conformation Phyre-2_TS3 # request to SCWRL produces command: ulimit -t 134 ; scwrl3 -i /var/tmp/to_scwrl_913206300.pdb -s /var/tmp/to_scwrl_913206300.seq -o /var/tmp/from_scwrl_913206300.pdb > /var/tmp/scwrl_913206300.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_913206300.pdb # conformation set from SCWRL output # naming current conformation Phyre-2_TS3-scwrl # ReadConformPDB reading from PDB file servers/Phyre-2_TS4.pdb.gz looking for model 1 # Found a chain break before 143 # copying to AlignedFragments data structure # naming current conformation Phyre-2_TS4 # request to SCWRL produces command: ulimit -t 134 ; scwrl3 -i /var/tmp/to_scwrl_1732063892.pdb -s /var/tmp/to_scwrl_1732063892.seq -o /var/tmp/from_scwrl_1732063892.pdb > /var/tmp/scwrl_1732063892.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1732063892.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 T0369 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 134 ; scwrl3 -i /var/tmp/to_scwrl_199635001.pdb -s /var/tmp/to_scwrl_199635001.seq -o /var/tmp/from_scwrl_199635001.pdb > /var/tmp/scwrl_199635001.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_199635001.pdb # conformation set from SCWRL output # naming current conformation Phyre-2_TS5-scwrl # ReadConformPDB reading from PDB file servers/Pmodeller6_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0369 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation Pmodeller6_TS1 # request to SCWRL produces command: ulimit -t 134 ; scwrl3 -i /var/tmp/to_scwrl_1852204137.pdb -s /var/tmp/to_scwrl_1852204137.seq -o /var/tmp/from_scwrl_1852204137.pdb > /var/tmp/scwrl_1852204137.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1852204137.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 # Found a chain break before 97 # copying to AlignedFragments data structure # naming current conformation Pmodeller6_TS2 # request to SCWRL produces command: ulimit -t 134 ; scwrl3 -i /var/tmp/to_scwrl_524554060.pdb -s /var/tmp/to_scwrl_524554060.seq -o /var/tmp/from_scwrl_524554060.pdb > /var/tmp/scwrl_524554060.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_524554060.pdb # conformation set from SCWRL output # naming current conformation Pmodeller6_TS2-scwrl # ReadConformPDB reading from PDB file servers/Pmodeller6_TS3.pdb.gz looking for model 1 # Found a chain break before 108 # copying to AlignedFragments data structure # naming current conformation Pmodeller6_TS3 # request to SCWRL produces command: ulimit -t 134 ; scwrl3 -i /var/tmp/to_scwrl_1631459309.pdb -s /var/tmp/to_scwrl_1631459309.seq -o /var/tmp/from_scwrl_1631459309.pdb > /var/tmp/scwrl_1631459309.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1631459309.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 T0369 can't currently be optimized by undertaker # naming current conformation Pmodeller6_TS4 # request to SCWRL produces command: ulimit -t 134 ; scwrl3 -i /var/tmp/to_scwrl_961087299.pdb -s /var/tmp/to_scwrl_961087299.seq -o /var/tmp/from_scwrl_961087299.pdb > /var/tmp/scwrl_961087299.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_961087299.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 # Found a chain break before 106 # copying to AlignedFragments data structure # naming current conformation Pmodeller6_TS5 # request to SCWRL produces command: ulimit -t 134 ; scwrl3 -i /var/tmp/to_scwrl_184777177.pdb -s /var/tmp/to_scwrl_184777177.seq -o /var/tmp/from_scwrl_184777177.pdb > /var/tmp/scwrl_184777177.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_184777177.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 # WARNING: incomplete conformation T0369 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS1 # request to SCWRL produces command: ulimit -t 134 ; scwrl3 -i /var/tmp/to_scwrl_2001164143.pdb -s /var/tmp/to_scwrl_2001164143.seq -o /var/tmp/from_scwrl_2001164143.pdb > /var/tmp/scwrl_2001164143.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2001164143.pdb # conformation set from SCWRL output # naming current conformation RAPTOR-ACE_TS1-scwrl # ReadConformPDB reading from PDB file servers/RAPTOR-ACE_TS2.pdb.gz looking for model 1 # Found a chain break before 67 # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS2 # request to SCWRL produces command: ulimit -t 134 ; scwrl3 -i /var/tmp/to_scwrl_289226878.pdb -s /var/tmp/to_scwrl_289226878.seq -o /var/tmp/from_scwrl_289226878.pdb > /var/tmp/scwrl_289226878.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_289226878.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 # WARNING: incomplete conformation T0369 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS3 # request to SCWRL produces command: ulimit -t 134 ; scwrl3 -i /var/tmp/to_scwrl_1267230177.pdb -s /var/tmp/to_scwrl_1267230177.seq -o /var/tmp/from_scwrl_1267230177.pdb > /var/tmp/scwrl_1267230177.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1267230177.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 114 # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS4 # request to SCWRL produces command: ulimit -t 134 ; scwrl3 -i /var/tmp/to_scwrl_535880147.pdb -s /var/tmp/to_scwrl_535880147.seq -o /var/tmp/from_scwrl_535880147.pdb > /var/tmp/scwrl_535880147.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_535880147.pdb # conformation set from SCWRL output # naming current conformation RAPTOR-ACE_TS4-scwrl # ReadConformPDB reading from PDB file servers/RAPTOR-ACE_TS5.pdb.gz looking for model 1 # Found a chain break before 77 # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS5 # request to SCWRL produces command: ulimit -t 134 ; scwrl3 -i /var/tmp/to_scwrl_1636897007.pdb -s /var/tmp/to_scwrl_1636897007.seq -o /var/tmp/from_scwrl_1636897007.pdb > /var/tmp/scwrl_1636897007.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1636897007.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 74 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS1 # request to SCWRL produces command: ulimit -t 134 ; scwrl3 -i /var/tmp/to_scwrl_1190017849.pdb -s /var/tmp/to_scwrl_1190017849.seq -o /var/tmp/from_scwrl_1190017849.pdb > /var/tmp/scwrl_1190017849.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1190017849.pdb # conformation set from SCWRL output # naming current conformation RAPTORESS_TS1-scwrl # ReadConformPDB reading from PDB file servers/RAPTORESS_TS2.pdb.gz looking for model 1 # Found a chain break before 143 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS2 # request to SCWRL produces command: ulimit -t 134 ; scwrl3 -i /var/tmp/to_scwrl_671964903.pdb -s /var/tmp/to_scwrl_671964903.seq -o /var/tmp/from_scwrl_671964903.pdb > /var/tmp/scwrl_671964903.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_671964903.pdb # conformation set from SCWRL output # naming current conformation RAPTORESS_TS2-scwrl # ReadConformPDB reading from PDB file servers/RAPTORESS_TS3.pdb.gz looking for model 1 # Found a chain break before 146 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS3 # request to SCWRL produces command: ulimit -t 134 ; scwrl3 -i /var/tmp/to_scwrl_718358689.pdb -s /var/tmp/to_scwrl_718358689.seq -o /var/tmp/from_scwrl_718358689.pdb > /var/tmp/scwrl_718358689.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_718358689.pdb # conformation set from SCWRL output # naming current conformation RAPTORESS_TS3-scwrl # ReadConformPDB reading from PDB file servers/RAPTORESS_TS4.pdb.gz looking for model 1 # Found a chain break before 147 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS4 # request to SCWRL produces command: ulimit -t 134 ; scwrl3 -i /var/tmp/to_scwrl_1192933126.pdb -s /var/tmp/to_scwrl_1192933126.seq -o /var/tmp/from_scwrl_1192933126.pdb > /var/tmp/scwrl_1192933126.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1192933126.pdb # conformation set from SCWRL output # naming current conformation RAPTORESS_TS4-scwrl # ReadConformPDB reading from PDB file servers/RAPTORESS_TS5.pdb.gz looking for model 1 # Found a chain break before 116 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS5 # request to SCWRL produces command: ulimit -t 134 ; scwrl3 -i /var/tmp/to_scwrl_1786568069.pdb -s /var/tmp/to_scwrl_1786568069.seq -o /var/tmp/from_scwrl_1786568069.pdb > /var/tmp/scwrl_1786568069.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1786568069.pdb # conformation set from SCWRL output # naming current conformation RAPTORESS_TS5-scwrl # ReadConformPDB reading from PDB file servers/RAPTOR_TS1.pdb.gz looking for model 1 # naming current conformation RAPTOR_TS1 # request to SCWRL produces command: ulimit -t 134 ; scwrl3 -i /var/tmp/to_scwrl_531960799.pdb -s /var/tmp/to_scwrl_531960799.seq -o /var/tmp/from_scwrl_531960799.pdb > /var/tmp/scwrl_531960799.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_531960799.pdb # conformation set from SCWRL output # naming current conformation RAPTOR_TS1-scwrl # ReadConformPDB reading from PDB file servers/RAPTOR_TS2.pdb.gz looking for model 1 # naming current conformation RAPTOR_TS2 # request to SCWRL produces command: ulimit -t 134 ; scwrl3 -i /var/tmp/to_scwrl_1281138961.pdb -s /var/tmp/to_scwrl_1281138961.seq -o /var/tmp/from_scwrl_1281138961.pdb > /var/tmp/scwrl_1281138961.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1281138961.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 134 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS3 # request to SCWRL produces command: ulimit -t 134 ; scwrl3 -i /var/tmp/to_scwrl_1722680136.pdb -s /var/tmp/to_scwrl_1722680136.seq -o /var/tmp/from_scwrl_1722680136.pdb > /var/tmp/scwrl_1722680136.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1722680136.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 134 ; scwrl3 -i /var/tmp/to_scwrl_1344277139.pdb -s /var/tmp/to_scwrl_1344277139.seq -o /var/tmp/from_scwrl_1344277139.pdb > /var/tmp/scwrl_1344277139.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1344277139.pdb # conformation set from SCWRL output # naming current conformation RAPTOR_TS4-scwrl # ReadConformPDB reading from PDB file servers/RAPTOR_TS5.pdb.gz looking for model 1 # Found a chain break before 90 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS5 # request to SCWRL produces command: ulimit -t 134 ; scwrl3 -i /var/tmp/to_scwrl_1101572953.pdb -s /var/tmp/to_scwrl_1101572953.seq -o /var/tmp/from_scwrl_1101572953.pdb > /var/tmp/scwrl_1101572953.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1101572953.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 # Found a chain break before 108 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS1 # request to SCWRL produces command: ulimit -t 134 ; scwrl3 -i /var/tmp/to_scwrl_646319387.pdb -s /var/tmp/to_scwrl_646319387.seq -o /var/tmp/from_scwrl_646319387.pdb > /var/tmp/scwrl_646319387.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_646319387.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 # Found a chain break before 97 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS2 # request to SCWRL produces command: ulimit -t 134 ; scwrl3 -i /var/tmp/to_scwrl_218565586.pdb -s /var/tmp/to_scwrl_218565586.seq -o /var/tmp/from_scwrl_218565586.pdb > /var/tmp/scwrl_218565586.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_218565586.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 68 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS3 # request to SCWRL produces command: ulimit -t 134 ; scwrl3 -i /var/tmp/to_scwrl_1282208797.pdb -s /var/tmp/to_scwrl_1282208797.seq -o /var/tmp/from_scwrl_1282208797.pdb > /var/tmp/scwrl_1282208797.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1282208797.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 # Found a chain break before 65 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS4 # request to SCWRL produces command: ulimit -t 134 ; scwrl3 -i /var/tmp/to_scwrl_1885590.pdb -s /var/tmp/to_scwrl_1885590.seq -o /var/tmp/from_scwrl_1885590.pdb > /var/tmp/scwrl_1885590.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1885590.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 # Found a chain break before 110 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS5 # request to SCWRL produces command: ulimit -t 134 ; scwrl3 -i /var/tmp/to_scwrl_515826195.pdb -s /var/tmp/to_scwrl_515826195.seq -o /var/tmp/from_scwrl_515826195.pdb > /var/tmp/scwrl_515826195.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_515826195.pdb # conformation set from SCWRL output # naming current conformation ROBETTA_TS5-scwrl # ReadConformPDB reading from PDB file servers/ROKKY_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0369 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation ROKKY_TS1 # request to SCWRL produces command: ulimit -t 134 ; scwrl3 -i /var/tmp/to_scwrl_2038226576.pdb -s /var/tmp/to_scwrl_2038226576.seq -o /var/tmp/from_scwrl_2038226576.pdb > /var/tmp/scwrl_2038226576.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2038226576.pdb # conformation set from SCWRL output # naming current conformation ROKKY_TS1-scwrl # ReadConformPDB reading from PDB file servers/ROKKY_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0369 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation ROKKY_TS2 # request to SCWRL produces command: ulimit -t 134 ; scwrl3 -i /var/tmp/to_scwrl_1722177901.pdb -s /var/tmp/to_scwrl_1722177901.seq -o /var/tmp/from_scwrl_1722177901.pdb > /var/tmp/scwrl_1722177901.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1722177901.pdb # conformation set from SCWRL output # naming current conformation ROKKY_TS2-scwrl # ReadConformPDB reading from PDB file servers/ROKKY_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0369 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation ROKKY_TS3 # request to SCWRL produces command: ulimit -t 134 ; scwrl3 -i /var/tmp/to_scwrl_1856093444.pdb -s /var/tmp/to_scwrl_1856093444.seq -o /var/tmp/from_scwrl_1856093444.pdb > /var/tmp/scwrl_1856093444.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1856093444.pdb # conformation set from SCWRL output # naming current conformation ROKKY_TS3-scwrl # ReadConformPDB reading from PDB file servers/ROKKY_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0369 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation ROKKY_TS4 # request to SCWRL produces command: ulimit -t 134 ; scwrl3 -i /var/tmp/to_scwrl_803949229.pdb -s /var/tmp/to_scwrl_803949229.seq -o /var/tmp/from_scwrl_803949229.pdb > /var/tmp/scwrl_803949229.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_803949229.pdb # conformation set from SCWRL output # naming current conformation ROKKY_TS4-scwrl # ReadConformPDB reading from PDB file servers/ROKKY_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0369 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation ROKKY_TS5 # request to SCWRL produces command: ulimit -t 134 ; scwrl3 -i /var/tmp/to_scwrl_1306758146.pdb -s /var/tmp/to_scwrl_1306758146.seq -o /var/tmp/from_scwrl_1306758146.pdb > /var/tmp/scwrl_1306758146.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1306758146.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 Skipped atom 27, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 32, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 33, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 62, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 67, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 84, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 209, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 282, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 390, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 392, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 394, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 396, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 399, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 500, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 509, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz # WARNING: incomplete conformation T0369 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL1 # request to SCWRL produces command: ulimit -t 134 ; scwrl3 -i /var/tmp/to_scwrl_2055728446.pdb -s /var/tmp/to_scwrl_2055728446.seq -o /var/tmp/from_scwrl_2055728446.pdb > /var/tmp/scwrl_2055728446.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2055728446.pdb # conformation set from SCWRL output # naming current conformation SAM-T02_AL1-scwrl # ReadConformPDB reading from PDB file servers/SAM-T02_AL2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0369 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL2 # request to SCWRL produces command: ulimit -t 134 ; scwrl3 -i /var/tmp/to_scwrl_508669719.pdb -s /var/tmp/to_scwrl_508669719.seq -o /var/tmp/from_scwrl_508669719.pdb > /var/tmp/scwrl_508669719.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_508669719.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 T0369 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL3 # request to SCWRL produces command: ulimit -t 134 ; scwrl3 -i /var/tmp/to_scwrl_1831312206.pdb -s /var/tmp/to_scwrl_1831312206.seq -o /var/tmp/from_scwrl_1831312206.pdb > /var/tmp/scwrl_1831312206.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1831312206.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 T0369 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL4 # request to SCWRL produces command: ulimit -t 134 ; scwrl3 -i /var/tmp/to_scwrl_1539704108.pdb -s /var/tmp/to_scwrl_1539704108.seq -o /var/tmp/from_scwrl_1539704108.pdb > /var/tmp/scwrl_1539704108.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1539704108.pdb # conformation set from SCWRL output # naming current conformation SAM-T02_AL4-scwrl # ReadConformPDB reading from PDB file servers/SAM-T99_AL1.pdb.gz looking for model 1 Skipped atom 31, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL1.pdb.gz Skipped atom 36, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL1.pdb.gz Skipped atom 37, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL1.pdb.gz Skipped atom 66, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL1.pdb.gz Skipped atom 71, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL1.pdb.gz Skipped atom 88, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL1.pdb.gz Skipped atom 213, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL1.pdb.gz Skipped atom 290, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL1.pdb.gz Skipped atom 398, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL1.pdb.gz Skipped atom 400, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL1.pdb.gz Skipped atom 402, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL1.pdb.gz Skipped atom 404, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL1.pdb.gz Skipped atom 407, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL1.pdb.gz Skipped atom 508, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL1.pdb.gz Skipped atom 517, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL1.pdb.gz # WARNING: incomplete conformation T0369 can't currently be optimized by undertaker # naming current conformation SAM-T99_AL1 # request to SCWRL produces command: ulimit -t 134 ; scwrl3 -i /var/tmp/to_scwrl_1469757017.pdb -s /var/tmp/to_scwrl_1469757017.seq -o /var/tmp/from_scwrl_1469757017.pdb > /var/tmp/scwrl_1469757017.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1469757017.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 Skipped atom 31, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL2.pdb.gz Skipped atom 84, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL2.pdb.gz Skipped atom 97, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL2.pdb.gz Skipped atom 142, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL2.pdb.gz Skipped atom 171, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL2.pdb.gz Skipped atom 348, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL2.pdb.gz Skipped atom 369, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL2.pdb.gz Skipped atom 402, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL2.pdb.gz Skipped atom 503, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL2.pdb.gz # WARNING: incomplete conformation T0369 can't currently be optimized by undertaker # naming current conformation SAM-T99_AL2 # request to SCWRL produces command: ulimit -t 134 ; scwrl3 -i /var/tmp/to_scwrl_2016089384.pdb -s /var/tmp/to_scwrl_2016089384.seq -o /var/tmp/from_scwrl_2016089384.pdb > /var/tmp/scwrl_2016089384.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2016089384.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 T0369 can't currently be optimized by undertaker # naming current conformation SAM-T99_AL3 # request to SCWRL produces command: ulimit -t 134 ; scwrl3 -i /var/tmp/to_scwrl_1393384605.pdb -s /var/tmp/to_scwrl_1393384605.seq -o /var/tmp/from_scwrl_1393384605.pdb > /var/tmp/scwrl_1393384605.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1393384605.pdb # conformation set from SCWRL output # naming current conformation SAM-T99_AL3-scwrl # ReadConformPDB reading from PDB file servers/SAM_T06_server_TS1.pdb.gz looking for model 1 # Found a chain break before 145 # copying to AlignedFragments data structure # naming current conformation SAM_T06_server_TS1 # request to SCWRL produces command: ulimit -t 134 ; scwrl3 -i /var/tmp/to_scwrl_1758983895.pdb -s /var/tmp/to_scwrl_1758983895.seq -o /var/tmp/from_scwrl_1758983895.pdb > /var/tmp/scwrl_1758983895.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1758983895.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 T0369 can't currently be optimized by undertaker # naming current conformation SAM_T06_server_TS2 # request to SCWRL produces command: ulimit -t 134 ; scwrl3 -i /var/tmp/to_scwrl_1135835914.pdb -s /var/tmp/to_scwrl_1135835914.seq -o /var/tmp/from_scwrl_1135835914.pdb > /var/tmp/scwrl_1135835914.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1135835914.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 T0369 can't currently be optimized by undertaker # naming current conformation SAM_T06_server_TS3 # request to SCWRL produces command: ulimit -t 134 ; scwrl3 -i /var/tmp/to_scwrl_1929264752.pdb -s /var/tmp/to_scwrl_1929264752.seq -o /var/tmp/from_scwrl_1929264752.pdb > /var/tmp/scwrl_1929264752.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1929264752.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 T0369 can't currently be optimized by undertaker # naming current conformation SAM_T06_server_TS4 # request to SCWRL produces command: ulimit -t 134 ; scwrl3 -i /var/tmp/to_scwrl_1248397255.pdb -s /var/tmp/to_scwrl_1248397255.seq -o /var/tmp/from_scwrl_1248397255.pdb > /var/tmp/scwrl_1248397255.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1248397255.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 T0369 can't currently be optimized by undertaker # naming current conformation SAM_T06_server_TS5 # request to SCWRL produces command: ulimit -t 134 ; scwrl3 -i /var/tmp/to_scwrl_178370117.pdb -s /var/tmp/to_scwrl_178370117.seq -o /var/tmp/from_scwrl_178370117.pdb > /var/tmp/scwrl_178370117.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_178370117.pdb # conformation set from SCWRL output # naming current conformation SAM_T06_server_TS5-scwrl # ReadConformPDB reading from PDB file servers/SP3_TS1.pdb.gz looking for model 1 # Found a chain break before 114 # copying to AlignedFragments data structure # naming current conformation SP3_TS1 # request to SCWRL produces command: ulimit -t 134 ; scwrl3 -i /var/tmp/to_scwrl_453746009.pdb -s /var/tmp/to_scwrl_453746009.seq -o /var/tmp/from_scwrl_453746009.pdb > /var/tmp/scwrl_453746009.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_453746009.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 73 # copying to AlignedFragments data structure # naming current conformation SP3_TS2 # request to SCWRL produces command: ulimit -t 134 ; scwrl3 -i /var/tmp/to_scwrl_1966755945.pdb -s /var/tmp/to_scwrl_1966755945.seq -o /var/tmp/from_scwrl_1966755945.pdb > /var/tmp/scwrl_1966755945.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1966755945.pdb # conformation set from SCWRL output # naming current conformation SP3_TS2-scwrl # ReadConformPDB reading from PDB file servers/SP3_TS3.pdb.gz looking for model 1 # Found a chain break before 69 # copying to AlignedFragments data structure # naming current conformation SP3_TS3 # request to SCWRL produces command: ulimit -t 134 ; scwrl3 -i /var/tmp/to_scwrl_1371303243.pdb -s /var/tmp/to_scwrl_1371303243.seq -o /var/tmp/from_scwrl_1371303243.pdb > /var/tmp/scwrl_1371303243.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1371303243.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 97 # copying to AlignedFragments data structure # naming current conformation SP3_TS4 # request to SCWRL produces command: ulimit -t 134 ; scwrl3 -i /var/tmp/to_scwrl_92830431.pdb -s /var/tmp/to_scwrl_92830431.seq -o /var/tmp/from_scwrl_92830431.pdb > /var/tmp/scwrl_92830431.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_92830431.pdb # conformation set from SCWRL output # naming current conformation SP3_TS4-scwrl # ReadConformPDB reading from PDB file servers/SP3_TS5.pdb.gz looking for model 1 # naming current conformation SP3_TS5 # request to SCWRL produces command: ulimit -t 134 ; scwrl3 -i /var/tmp/to_scwrl_351233097.pdb -s /var/tmp/to_scwrl_351233097.seq -o /var/tmp/from_scwrl_351233097.pdb > /var/tmp/scwrl_351233097.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_351233097.pdb # conformation set from SCWRL output # naming current conformation SP3_TS5-scwrl # ReadConformPDB reading from PDB file servers/SP4_TS1.pdb.gz looking for model 1 # Found a chain break before 107 # copying to AlignedFragments data structure # naming current conformation SP4_TS1 # request to SCWRL produces command: ulimit -t 134 ; scwrl3 -i /var/tmp/to_scwrl_504958558.pdb -s /var/tmp/to_scwrl_504958558.seq -o /var/tmp/from_scwrl_504958558.pdb > /var/tmp/scwrl_504958558.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_504958558.pdb # conformation set from SCWRL output # naming current conformation SP4_TS1-scwrl # ReadConformPDB reading from PDB file servers/SP4_TS2.pdb.gz looking for model 1 # naming current conformation SP4_TS2 # request to SCWRL produces command: ulimit -t 134 ; scwrl3 -i /var/tmp/to_scwrl_1815510567.pdb -s /var/tmp/to_scwrl_1815510567.seq -o /var/tmp/from_scwrl_1815510567.pdb > /var/tmp/scwrl_1815510567.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1815510567.pdb # conformation set from SCWRL output # naming current conformation SP4_TS2-scwrl # ReadConformPDB reading from PDB file servers/SP4_TS3.pdb.gz looking for model 1 # naming current conformation SP4_TS3 # request to SCWRL produces command: ulimit -t 134 ; scwrl3 -i /var/tmp/to_scwrl_1695510236.pdb -s /var/tmp/to_scwrl_1695510236.seq -o /var/tmp/from_scwrl_1695510236.pdb > /var/tmp/scwrl_1695510236.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1695510236.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 73 # copying to AlignedFragments data structure # naming current conformation SP4_TS4 # request to SCWRL produces command: ulimit -t 134 ; scwrl3 -i /var/tmp/to_scwrl_1606531512.pdb -s /var/tmp/to_scwrl_1606531512.seq -o /var/tmp/from_scwrl_1606531512.pdb > /var/tmp/scwrl_1606531512.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1606531512.pdb # conformation set from SCWRL output # naming current conformation SP4_TS4-scwrl # ReadConformPDB reading from PDB file servers/SP4_TS5.pdb.gz looking for model 1 # Found a chain break before 97 # copying to AlignedFragments data structure # naming current conformation SP4_TS5 # request to SCWRL produces command: ulimit -t 134 ; scwrl3 -i /var/tmp/to_scwrl_314346307.pdb -s /var/tmp/to_scwrl_314346307.seq -o /var/tmp/from_scwrl_314346307.pdb > /var/tmp/scwrl_314346307.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_314346307.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 107 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS1 # request to SCWRL produces command: ulimit -t 134 ; scwrl3 -i /var/tmp/to_scwrl_1914075822.pdb -s /var/tmp/to_scwrl_1914075822.seq -o /var/tmp/from_scwrl_1914075822.pdb > /var/tmp/scwrl_1914075822.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1914075822.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 70 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS2 # request to SCWRL produces command: ulimit -t 134 ; scwrl3 -i /var/tmp/to_scwrl_741256663.pdb -s /var/tmp/to_scwrl_741256663.seq -o /var/tmp/from_scwrl_741256663.pdb > /var/tmp/scwrl_741256663.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_741256663.pdb # conformation set from SCWRL output # naming current conformation SPARKS2_TS2-scwrl # ReadConformPDB reading from PDB file servers/SPARKS2_TS3.pdb.gz looking for model 1 # naming current conformation SPARKS2_TS3 # request to SCWRL produces command: ulimit -t 134 ; scwrl3 -i /var/tmp/to_scwrl_316231897.pdb -s /var/tmp/to_scwrl_316231897.seq -o /var/tmp/from_scwrl_316231897.pdb > /var/tmp/scwrl_316231897.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_316231897.pdb # conformation set from SCWRL output # naming current conformation SPARKS2_TS3-scwrl # ReadConformPDB reading from PDB file servers/SPARKS2_TS4.pdb.gz looking for model 1 # Found a chain break before 143 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS4 # request to SCWRL produces command: ulimit -t 134 ; scwrl3 -i /var/tmp/to_scwrl_282418370.pdb -s /var/tmp/to_scwrl_282418370.seq -o /var/tmp/from_scwrl_282418370.pdb > /var/tmp/scwrl_282418370.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_282418370.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 72 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS5 # request to SCWRL produces command: ulimit -t 134 ; scwrl3 -i /var/tmp/to_scwrl_631999592.pdb -s /var/tmp/to_scwrl_631999592.seq -o /var/tmp/from_scwrl_631999592.pdb > /var/tmp/scwrl_631999592.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_631999592.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 T0369 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS1 # request to SCWRL produces command: ulimit -t 134 ; scwrl3 -i /var/tmp/to_scwrl_2038409798.pdb -s /var/tmp/to_scwrl_2038409798.seq -o /var/tmp/from_scwrl_2038409798.pdb > /var/tmp/scwrl_2038409798.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2038409798.pdb # conformation set from SCWRL output # naming current conformation UNI-EID_bnmx_TS1-scwrl # ReadConformPDB reading from PDB file servers/UNI-EID_expm_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0369 can't currently be optimized by undertaker # naming current conformation UNI-EID_expm_TS1 # request to SCWRL produces command: ulimit -t 134 ; scwrl3 -i /var/tmp/to_scwrl_2138511815.pdb -s /var/tmp/to_scwrl_2138511815.seq -o /var/tmp/from_scwrl_2138511815.pdb > /var/tmp/scwrl_2138511815.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2138511815.pdb # conformation set from SCWRL output # naming current conformation UNI-EID_expm_TS1-scwrl # ReadConformPDB reading from PDB file servers/UNI-EID_sfst_AL1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0369 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL1 # request to SCWRL produces command: ulimit -t 134 ; scwrl3 -i /var/tmp/to_scwrl_1435948820.pdb -s /var/tmp/to_scwrl_1435948820.seq -o /var/tmp/from_scwrl_1435948820.pdb > /var/tmp/scwrl_1435948820.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1435948820.pdb # conformation set from SCWRL output # naming current conformation UNI-EID_sfst_AL1-scwrl # ReadConformPDB reading from PDB file servers/Zhang-Server_TS1.pdb.gz looking for model 1 # Found a chain break before 108 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS1 # request to SCWRL produces command: ulimit -t 134 ; scwrl3 -i /var/tmp/to_scwrl_1197684297.pdb -s /var/tmp/to_scwrl_1197684297.seq -o /var/tmp/from_scwrl_1197684297.pdb > /var/tmp/scwrl_1197684297.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1197684297.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 133 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS2 # request to SCWRL produces command: ulimit -t 134 ; scwrl3 -i /var/tmp/to_scwrl_2046756614.pdb -s /var/tmp/to_scwrl_2046756614.seq -o /var/tmp/from_scwrl_2046756614.pdb > /var/tmp/scwrl_2046756614.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2046756614.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 108 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS3 # request to SCWRL produces command: ulimit -t 134 ; scwrl3 -i /var/tmp/to_scwrl_1944618539.pdb -s /var/tmp/to_scwrl_1944618539.seq -o /var/tmp/from_scwrl_1944618539.pdb > /var/tmp/scwrl_1944618539.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1944618539.pdb # conformation set from SCWRL output # naming current conformation Zhang-Server_TS3-scwrl # ReadConformPDB reading from PDB file servers/Zhang-Server_TS4.pdb.gz looking for model 1 # Found a chain break before 142 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS4 # request to SCWRL produces command: ulimit -t 134 ; scwrl3 -i /var/tmp/to_scwrl_881512858.pdb -s /var/tmp/to_scwrl_881512858.seq -o /var/tmp/from_scwrl_881512858.pdb > /var/tmp/scwrl_881512858.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_881512858.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 102 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS5 # request to SCWRL produces command: ulimit -t 134 ; scwrl3 -i /var/tmp/to_scwrl_1438977075.pdb -s /var/tmp/to_scwrl_1438977075.seq -o /var/tmp/from_scwrl_1438977075.pdb > /var/tmp/scwrl_1438977075.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1438977075.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 147 # copying to AlignedFragments data structure # naming current conformation beautshot_TS1 # request to SCWRL produces command: ulimit -t 134 ; scwrl3 -i /var/tmp/to_scwrl_1266891909.pdb -s /var/tmp/to_scwrl_1266891909.seq -o /var/tmp/from_scwrl_1266891909.pdb > /var/tmp/scwrl_1266891909.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1266891909.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 T0369 can't currently be optimized by undertaker # naming current conformation beautshotbase_TS1 # request to SCWRL produces command: ulimit -t 134 ; scwrl3 -i /var/tmp/to_scwrl_750118595.pdb -s /var/tmp/to_scwrl_750118595.seq -o /var/tmp/from_scwrl_750118595.pdb > /var/tmp/scwrl_750118595.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_750118595.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 T0369 can't currently be optimized by undertaker # naming current conformation forecast-s_AL1 # request to SCWRL produces command: ulimit -t 134 ; scwrl3 -i /var/tmp/to_scwrl_684878034.pdb -s /var/tmp/to_scwrl_684878034.seq -o /var/tmp/from_scwrl_684878034.pdb > /var/tmp/scwrl_684878034.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_684878034.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 T0369 can't currently be optimized by undertaker # naming current conformation forecast-s_AL2 # request to SCWRL produces command: ulimit -t 134 ; scwrl3 -i /var/tmp/to_scwrl_878392159.pdb -s /var/tmp/to_scwrl_878392159.seq -o /var/tmp/from_scwrl_878392159.pdb > /var/tmp/scwrl_878392159.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_878392159.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 T0369 can't currently be optimized by undertaker # naming current conformation forecast-s_AL3 # request to SCWRL produces command: ulimit -t 134 ; scwrl3 -i /var/tmp/to_scwrl_1885954509.pdb -s /var/tmp/to_scwrl_1885954509.seq -o /var/tmp/from_scwrl_1885954509.pdb > /var/tmp/scwrl_1885954509.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1885954509.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 T0369 can't currently be optimized by undertaker # naming current conformation forecast-s_AL4 # request to SCWRL produces command: ulimit -t 134 ; scwrl3 -i /var/tmp/to_scwrl_466659140.pdb -s /var/tmp/to_scwrl_466659140.seq -o /var/tmp/from_scwrl_466659140.pdb > /var/tmp/scwrl_466659140.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_466659140.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 T0369 can't currently be optimized by undertaker # naming current conformation forecast-s_AL5 # request to SCWRL produces command: ulimit -t 134 ; scwrl3 -i /var/tmp/to_scwrl_2126789414.pdb -s /var/tmp/to_scwrl_2126789414.seq -o /var/tmp/from_scwrl_2126789414.pdb > /var/tmp/scwrl_2126789414.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2126789414.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 118 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS1 # request to SCWRL produces command: ulimit -t 134 ; scwrl3 -i /var/tmp/to_scwrl_2064324627.pdb -s /var/tmp/to_scwrl_2064324627.seq -o /var/tmp/from_scwrl_2064324627.pdb > /var/tmp/scwrl_2064324627.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2064324627.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 90 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS2 # request to SCWRL produces command: ulimit -t 134 ; scwrl3 -i /var/tmp/to_scwrl_920405149.pdb -s /var/tmp/to_scwrl_920405149.seq -o /var/tmp/from_scwrl_920405149.pdb > /var/tmp/scwrl_920405149.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_920405149.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 71 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS3 # request to SCWRL produces command: ulimit -t 134 ; scwrl3 -i /var/tmp/to_scwrl_1946061712.pdb -s /var/tmp/to_scwrl_1946061712.seq -o /var/tmp/from_scwrl_1946061712.pdb > /var/tmp/scwrl_1946061712.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1946061712.pdb # conformation set from SCWRL output # naming current conformation karypis.srv.2_TS3-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv.2_TS4.pdb.gz looking for model 1 # Found a chain break before 119 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS4 # request to SCWRL produces command: ulimit -t 134 ; scwrl3 -i /var/tmp/to_scwrl_1288144223.pdb -s /var/tmp/to_scwrl_1288144223.seq -o /var/tmp/from_scwrl_1288144223.pdb > /var/tmp/scwrl_1288144223.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1288144223.pdb # conformation set from SCWRL output # naming current conformation karypis.srv.2_TS4-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv.2_TS5.pdb.gz looking for model 1 # naming current conformation karypis.srv.2_TS5 # request to SCWRL produces command: ulimit -t 134 ; scwrl3 -i /var/tmp/to_scwrl_1013235580.pdb -s /var/tmp/to_scwrl_1013235580.seq -o /var/tmp/from_scwrl_1013235580.pdb > /var/tmp/scwrl_1013235580.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1013235580.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 WARNING: atoms too close: (T0369)G139.O and (T0369)Y140.N only 0.000 apart, marking (T0369)Y140.N as missing # WARNING: incomplete conformation T0369 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS1 # request to SCWRL produces command: ulimit -t 134 ; scwrl3 -i /var/tmp/to_scwrl_149811162.pdb -s /var/tmp/to_scwrl_149811162.seq -o /var/tmp/from_scwrl_149811162.pdb > /var/tmp/scwrl_149811162.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_149811162.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: (T0369)Q90.O and (T0369)Y91.N only 0.000 apart, marking (T0369)Y91.N as missing # WARNING: incomplete conformation T0369 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 134 ; scwrl3 -i /var/tmp/to_scwrl_1793102782.pdb -s /var/tmp/to_scwrl_1793102782.seq -o /var/tmp/from_scwrl_1793102782.pdb > /var/tmp/scwrl_1793102782.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1793102782.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 145 # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS3 # request to SCWRL produces command: ulimit -t 134 ; scwrl3 -i /var/tmp/to_scwrl_681262500.pdb -s /var/tmp/to_scwrl_681262500.seq -o /var/tmp/from_scwrl_681262500.pdb > /var/tmp/scwrl_681262500.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_681262500.pdb # conformation set from SCWRL output # naming current conformation karypis.srv.4_TS3-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv.4_TS4.pdb.gz looking for model 1 # Found a chain break before 143 # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS4 # request to SCWRL produces command: ulimit -t 134 ; scwrl3 -i /var/tmp/to_scwrl_1845321398.pdb -s /var/tmp/to_scwrl_1845321398.seq -o /var/tmp/from_scwrl_1845321398.pdb > /var/tmp/scwrl_1845321398.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1845321398.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 145 # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS5 # request to SCWRL produces command: ulimit -t 134 ; scwrl3 -i /var/tmp/to_scwrl_1252150647.pdb -s /var/tmp/to_scwrl_1252150647.seq -o /var/tmp/from_scwrl_1252150647.pdb > /var/tmp/scwrl_1252150647.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1252150647.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 T0369 can't currently be optimized by undertaker # naming current conformation karypis.srv_TS1 # request to SCWRL produces command: ulimit -t 134 ; scwrl3 -i /var/tmp/to_scwrl_995608807.pdb -s /var/tmp/to_scwrl_995608807.seq -o /var/tmp/from_scwrl_995608807.pdb > /var/tmp/scwrl_995608807.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_995608807.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 T0369 can't currently be optimized by undertaker # naming current conformation karypis.srv_TS2 # request to SCWRL produces command: ulimit -t 134 ; scwrl3 -i /var/tmp/to_scwrl_1611913574.pdb -s /var/tmp/to_scwrl_1611913574.seq -o /var/tmp/from_scwrl_1611913574.pdb > /var/tmp/scwrl_1611913574.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1611913574.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 T0369 can't currently be optimized by undertaker # naming current conformation karypis.srv_TS3 # request to SCWRL produces command: ulimit -t 134 ; scwrl3 -i /var/tmp/to_scwrl_1993407310.pdb -s /var/tmp/to_scwrl_1993407310.seq -o /var/tmp/from_scwrl_1993407310.pdb > /var/tmp/scwrl_1993407310.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1993407310.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 T0369 can't currently be optimized by undertaker # naming current conformation karypis.srv_TS4 # request to SCWRL produces command: ulimit -t 134 ; scwrl3 -i /var/tmp/to_scwrl_1311840703.pdb -s /var/tmp/to_scwrl_1311840703.seq -o /var/tmp/from_scwrl_1311840703.pdb > /var/tmp/scwrl_1311840703.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1311840703.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 T0369 can't currently be optimized by undertaker # naming current conformation karypis.srv_TS5 # request to SCWRL produces command: ulimit -t 134 ; scwrl3 -i /var/tmp/to_scwrl_1894331944.pdb -s /var/tmp/to_scwrl_1894331944.seq -o /var/tmp/from_scwrl_1894331944.pdb > /var/tmp/scwrl_1894331944.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1894331944.pdb # conformation set from SCWRL output # naming current conformation karypis.srv_TS5-scwrl # ReadConformPDB reading from PDB file servers/keasar-server_TS1.pdb.gz looking for model 1 # naming current conformation keasar-server_TS1 # request to SCWRL produces command: ulimit -t 134 ; scwrl3 -i /var/tmp/to_scwrl_477923255.pdb -s /var/tmp/to_scwrl_477923255.seq -o /var/tmp/from_scwrl_477923255.pdb > /var/tmp/scwrl_477923255.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_477923255.pdb # conformation set from SCWRL output # naming current conformation keasar-server_TS1-scwrl # ReadConformPDB reading from PDB file servers/keasar-server_TS2.pdb.gz looking for model 1 # naming current conformation keasar-server_TS2 # request to SCWRL produces command: ulimit -t 134 ; scwrl3 -i /var/tmp/to_scwrl_1202766855.pdb -s /var/tmp/to_scwrl_1202766855.seq -o /var/tmp/from_scwrl_1202766855.pdb > /var/tmp/scwrl_1202766855.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1202766855.pdb # conformation set from SCWRL output # naming current conformation keasar-server_TS2-scwrl # ReadConformPDB reading from PDB file servers/keasar-server_TS3.pdb.gz looking for model 1 # naming current conformation keasar-server_TS3 # request to SCWRL produces command: ulimit -t 134 ; scwrl3 -i /var/tmp/to_scwrl_1885360112.pdb -s /var/tmp/to_scwrl_1885360112.seq -o /var/tmp/from_scwrl_1885360112.pdb > /var/tmp/scwrl_1885360112.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1885360112.pdb # conformation set from SCWRL output # naming current conformation keasar-server_TS3-scwrl # ReadConformPDB reading from PDB file servers/keasar-server_TS4.pdb.gz looking for model 1 # naming current conformation keasar-server_TS4 # request to SCWRL produces command: ulimit -t 134 ; scwrl3 -i /var/tmp/to_scwrl_1913872075.pdb -s /var/tmp/to_scwrl_1913872075.seq -o /var/tmp/from_scwrl_1913872075.pdb > /var/tmp/scwrl_1913872075.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1913872075.pdb # conformation set from SCWRL output # naming current conformation keasar-server_TS4-scwrl # ReadConformPDB reading from PDB file servers/keasar-server_TS5.pdb.gz looking for model 1 # naming current conformation keasar-server_TS5 # request to SCWRL produces command: ulimit -t 134 ; scwrl3 -i /var/tmp/to_scwrl_252967506.pdb -s /var/tmp/to_scwrl_252967506.seq -o /var/tmp/from_scwrl_252967506.pdb > /var/tmp/scwrl_252967506.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_252967506.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 T0369 can't currently be optimized by undertaker # naming current conformation mGen-3D_TS1 # request to SCWRL produces command: ulimit -t 134 ; scwrl3 -i /var/tmp/to_scwrl_1784633079.pdb -s /var/tmp/to_scwrl_1784633079.seq -o /var/tmp/from_scwrl_1784633079.pdb > /var/tmp/scwrl_1784633079.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1784633079.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 T0369 can't currently be optimized by undertaker # naming current conformation nFOLD_TS1 # request to SCWRL produces command: ulimit -t 134 ; scwrl3 -i /var/tmp/to_scwrl_1711006967.pdb -s /var/tmp/to_scwrl_1711006967.seq -o /var/tmp/from_scwrl_1711006967.pdb > /var/tmp/scwrl_1711006967.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1711006967.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 T0369 can't currently be optimized by undertaker # naming current conformation nFOLD_TS2 # request to SCWRL produces command: ulimit -t 134 ; scwrl3 -i /var/tmp/to_scwrl_1134480363.pdb -s /var/tmp/to_scwrl_1134480363.seq -o /var/tmp/from_scwrl_1134480363.pdb > /var/tmp/scwrl_1134480363.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1134480363.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 T0369 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation nFOLD_TS3 # request to SCWRL produces command: ulimit -t 134 ; scwrl3 -i /var/tmp/to_scwrl_1076126508.pdb -s /var/tmp/to_scwrl_1076126508.seq -o /var/tmp/from_scwrl_1076126508.pdb > /var/tmp/scwrl_1076126508.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1076126508.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 T0369 can't currently be optimized by undertaker # naming current conformation nFOLD_TS4 # request to SCWRL produces command: ulimit -t 134 ; scwrl3 -i /var/tmp/to_scwrl_830415230.pdb -s /var/tmp/to_scwrl_830415230.seq -o /var/tmp/from_scwrl_830415230.pdb > /var/tmp/scwrl_830415230.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_830415230.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 T0369 can't currently be optimized by undertaker # naming current conformation nFOLD_TS5 # request to SCWRL produces command: ulimit -t 134 ; scwrl3 -i /var/tmp/to_scwrl_1884598958.pdb -s /var/tmp/to_scwrl_1884598958.seq -o /var/tmp/from_scwrl_1884598958.pdb > /var/tmp/scwrl_1884598958.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1884598958.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: atoms too close: (T0369)A63.N and (T0369)T64.N only 0.000 apart, marking (T0369)T64.N as missing WARNING: atoms too close: (T0369)A63.CA and (T0369)T64.CA only 0.000 apart, marking (T0369)T64.CA as missing WARNING: atoms too close: (T0369)A63.CB and (T0369)T64.CB only 0.000 apart, marking (T0369)T64.CB as missing WARNING: atoms too close: (T0369)A63.O and (T0369)T64.O only 0.000 apart, marking (T0369)T64.O as missing WARNING: atoms too close: (T0369)A63.C and (T0369)T64.C only 0.000 apart, marking (T0369)T64.C as missing WARNING: atoms too close: (T0369)T64.N and (T0369)A65.N only 0.000 apart, marking (T0369)T64.N as missing WARNING: atoms too close: (T0369)A63.N and (T0369)A65.N only 0.000 apart, marking (T0369)A65.N as missing WARNING: atoms too close: (T0369)T64.CA and (T0369)A65.CA only 0.000 apart, marking (T0369)A65.CA as missing WARNING: atoms too close: (T0369)A63.CA and (T0369)A65.CA only 0.000 apart, marking (T0369)A65.CA as missing WARNING: atoms too close: (T0369)T64.CB and (T0369)A65.CB only 0.000 apart, marking (T0369)A65.CB as missing WARNING: atoms too close: (T0369)A63.CB and (T0369)A65.CB only 0.000 apart, marking (T0369)A65.CB as missing WARNING: atoms too close: (T0369)T64.O and (T0369)A65.O only 0.000 apart, marking (T0369)A65.O as missing WARNING: atoms too close: (T0369)A63.O and (T0369)A65.O only 0.000 apart, marking (T0369)A65.O as missing WARNING: atoms too close: (T0369)T64.C and (T0369)A65.C only 0.000 apart, marking (T0369)A65.C as missing WARNING: atoms too close: (T0369)A63.C and (T0369)A65.C only 0.000 apart, marking (T0369)A65.C as missing WARNING: atoms too close: (T0369)A65.N and (T0369)D66.N only 0.000 apart, marking (T0369)A65.N as missing WARNING: atoms too close: (T0369)T64.N and (T0369)D66.N only 0.000 apart, marking (T0369)T64.N as missing WARNING: atoms too close: (T0369)A63.N and (T0369)D66.N only 0.000 apart, marking (T0369)D66.N as missing WARNING: atoms too close: (T0369)A65.CA and (T0369)D66.CA only 0.000 apart, marking (T0369)D66.CA as missing WARNING: atoms too close: (T0369)T64.CA and (T0369)D66.CA only 0.000 apart, marking (T0369)D66.CA as missing WARNING: atoms too close: (T0369)A63.CA and (T0369)D66.CA only 0.000 apart, marking (T0369)D66.CA as missing WARNING: atoms too close: (T0369)A65.CB and (T0369)D66.CB only 0.000 apart, marking (T0369)D66.CB as missing WARNING: atoms too close: (T0369)T64.CB and (T0369)D66.CB only 0.000 apart, marking (T0369)D66.CB as missing WARNING: atoms too close: (T0369)A63.CB and (T0369)D66.CB only 0.000 apart, marking (T0369)D66.CB as missing WARNING: atoms too close: (T0369)T64.CG2 and (T0369)D66.CG only 0.000 apart, marking (T0369)D66.CG as missing WARNING: atoms too close: (T0369)A65.O and (T0369)D66.O only 0.000 apart, marking (T0369)D66.O as missing WARNING: atoms too close: (T0369)T64.O and (T0369)D66.O only 0.000 apart, marking (T0369)D66.O as missing WARNING: atoms too close: (T0369)A63.O and (T0369)D66.O only 0.000 apart, marking (T0369)D66.O as missing WARNING: atoms too close: (T0369)A65.C and (T0369)D66.C only 0.000 apart, marking (T0369)D66.C as missing WARNING: atoms too close: (T0369)T64.C and (T0369)D66.C only 0.000 apart, marking (T0369)D66.C as missing WARNING: atoms too close: (T0369)A63.C and (T0369)D66.C only 0.000 apart, marking (T0369)D66.C as missing WARNING: atoms too close: (T0369)D66.N and (T0369)E67.N only 0.000 apart, marking (T0369)D66.N as missing WARNING: atoms too close: (T0369)A65.N and (T0369)E67.N only 0.000 apart, marking (T0369)A65.N as missing WARNING: atoms too close: (T0369)T64.N and (T0369)E67.N only 0.000 apart, marking (T0369)T64.N as missing WARNING: atoms too close: (T0369)A63.N and (T0369)E67.N only 0.000 apart, marking (T0369)E67.N as missing WARNING: atoms too close: (T0369)D66.CA and (T0369)E67.CA only 0.000 apart, marking (T0369)E67.CA as missing WARNING: atoms too close: (T0369)A65.CA and (T0369)E67.CA only 0.000 apart, marking (T0369)E67.CA as missing WARNING: atoms too close: (T0369)T64.CA and (T0369)E67.CA only 0.000 apart, marking (T0369)E67.CA as missing WARNING: atoms too close: (T0369)A63.CA and (T0369)E67.CA only 0.000 apart, marking (T0369)E67.CA as missing WARNING: atoms too close: (T0369)D66.CB and (T0369)E67.CB only 0.000 apart, marking (T0369)E67.CB as missing WARNING: atoms too close: (T0369)A65.CB and (T0369)E67.CB only 0.000 apart, marking (T0369)E67.CB as missing WARNING: atoms too close: (T0369)T64.CB and (T0369)E67.CB only 0.000 apart, marking (T0369)E67.CB as missing WARNING: atoms too close: (T0369)A63.CB and (T0369)E67.CB only 0.000 apart, marking (T0369)E67.CB as missing WARNING: atoms too close: (T0369)D66.CG and (T0369)E67.CG only 0.000 apart, marking (T0369)E67.CG as missing WARNING: atoms too close: (T0369)T64.CG2 and (T0369)E67.CG only 0.000 apart, marking (T0369)E67.CG as missing WARNING: atoms too close: (T0369)D66.O and (T0369)E67.O only 0.000 apart, marking (T0369)E67.O as missing WARNING: atoms too close: (T0369)A65.O and (T0369)E67.O only 0.000 apart, marking (T0369)E67.O as missing WARNING: atoms too close: (T0369)T64.O and (T0369)E67.O only 0.000 apart, marking (T0369)E67.O as missing WARNING: atoms too close: (T0369)A63.O and (T0369)E67.O only 0.000 apart, marking (T0369)E67.O as missing WARNING: atoms too close: (T0369)D66.C and (T0369)E67.C only 0.000 apart, marking (T0369)E67.C as missing WARNING: atoms too close: (T0369)A65.C and (T0369)E67.C only 0.000 apart, marking (T0369)E67.C as missing WARNING: atoms too close: (T0369)T64.C and (T0369)E67.C only 0.000 apart, marking (T0369)E67.C as missing WARNING: atoms too close: (T0369)A63.C and (T0369)E67.C only 0.000 apart, marking (T0369)E67.C as missing WARNING: atoms too close: (T0369)E67.N and (T0369)M68.N only 0.000 apart, marking (T0369)E67.N as missing WARNING: atoms too close: (T0369)D66.N and (T0369)M68.N only 0.000 apart, marking (T0369)D66.N as missing WARNING: atoms too close: (T0369)A65.N and (T0369)M68.N only 0.000 apart, marking (T0369)A65.N as missing WARNING: atoms too close: (T0369)T64.N and (T0369)M68.N only 0.000 apart, marking (T0369)T64.N as missing WARNING: atoms too close: (T0369)A63.N and (T0369)M68.N only 0.000 apart, marking (T0369)M68.N as missing WARNING: atoms too close: (T0369)E67.CA and (T0369)M68.CA only 0.000 apart, marking (T0369)M68.CA as missing WARNING: atoms too close: (T0369)D66.CA and (T0369)M68.CA only 0.000 apart, marking (T0369)M68.CA as missing WARNING: atoms too close: (T0369)A65.CA and (T0369)M68.CA only 0.000 apart, marking (T0369)M68.CA as missing WARNING: atoms too close: (T0369)T64.CA and (T0369)M68.CA only 0.000 apart, marking (T0369)M68.CA as missing WARNING: atoms too close: (T0369)A63.CA and (T0369)M68.CA only 0.000 apart, marking (T0369)M68.CA as missing WARNING: atoms too close: (T0369)E67.CB and (T0369)M68.CB only 0.000 apart, marking (T0369)M68.CB as missing WARNING: atoms too close: (T0369)D66.CB and (T0369)M68.CB only 0.000 apart, marking (T0369)M68.CB as missing WARNING: atoms too close: (T0369)A65.CB and (T0369)M68.CB only 0.000 apart, marking (T0369)M68.CB as missing WARNING: atoms too close: (T0369)T64.CB and (T0369)M68.CB only 0.000 apart, marking (T0369)M68.CB as missing WARNING: atoms too close: (T0369)A63.CB and (T0369)M68.CB only 0.000 apart, marking (T0369)M68.CB as missing WARNING: atoms too close: (T0369)E67.CG and (T0369)M68.CG only 0.000 apart, marking (T0369)M68.CG as missing WARNING: atoms too close: (T0369)D66.CG and (T0369)M68.CG only 0.000 apart, marking (T0369)M68.CG as missing WARNING: atoms too close: (T0369)T64.CG2 and (T0369)M68.CG only 0.000 apart, marking (T0369)M68.CG as missing WARNING: atoms too close: (T0369)E67.O and (T0369)M68.O only 0.000 apart, marking (T0369)M68.O as missing WARNING: atoms too close: (T0369)D66.O and (T0369)M68.O only 0.000 apart, marking (T0369)M68.O as missing WARNING: atoms too close: (T0369)A65.O and (T0369)M68.O only 0.000 apart, marking (T0369)M68.O as missing WARNING: atoms too close: (T0369)T64.O and (T0369)M68.O only 0.000 apart, marking (T0369)M68.O as missing WARNING: atoms too close: (T0369)A63.O and (T0369)M68.O only 0.000 apart, marking (T0369)M68.O as missing WARNING: atoms too close: (T0369)E67.C and (T0369)M68.C only 0.000 apart, marking (T0369)M68.C as missing WARNING: atoms too close: (T0369)D66.C and (T0369)M68.C only 0.000 apart, marking (T0369)M68.C as missing WARNING: atoms too close: (T0369)A65.C and (T0369)M68.C only 0.000 apart, marking (T0369)M68.C as missing WARNING: atoms too close: (T0369)T64.C and (T0369)M68.C only 0.000 apart, marking (T0369)M68.C as missing WARNING: atoms too close: (T0369)A63.C and (T0369)M68.C only 0.000 apart, marking (T0369)M68.C as missing WARNING: atoms too close: (T0369)M68.N and (T0369)A69.N only 0.000 apart, marking (T0369)M68.N as missing WARNING: atoms too close: (T0369)E67.N and (T0369)A69.N only 0.000 apart, marking (T0369)E67.N as missing WARNING: atoms too close: (T0369)D66.N and (T0369)A69.N only 0.000 apart, marking (T0369)D66.N as missing WARNING: atoms too close: (T0369)A65.N and (T0369)A69.N only 0.000 apart, marking (T0369)A65.N as missing WARNING: atoms too close: (T0369)T64.N and (T0369)A69.N only 0.000 apart, marking (T0369)T64.N as missing WARNING: atoms too close: (T0369)A63.N and (T0369)A69.N only 0.000 apart, marking (T0369)A69.N as missing WARNING: atoms too close: (T0369)M68.CA and (T0369)A69.CA only 0.000 apart, marking (T0369)A69.CA as missing WARNING: atoms too close: (T0369)E67.CA and (T0369)A69.CA only 0.000 apart, marking (T0369)A69.CA as missing WARNING: atoms too close: (T0369)D66.CA and (T0369)A69.CA only 0.000 apart, marking (T0369)A69.CA as missing WARNING: atoms too close: (T0369)A65.CA and (T0369)A69.CA only 0.000 apart, marking (T0369)A69.CA as missing WARNING: atoms too close: (T0369)T64.CA and (T0369)A69.CA only 0.000 apart, marking (T0369)A69.CA as missing WARNING: atoms too close: (T0369)A63.CA and (T0369)A69.CA only 0.000 apart, marking (T0369)A69.CA as missing WARNING: atoms too close: (T0369)M68.CB and (T0369)A69.CB only 0.000 apart, marking (T0369)A69.CB as missing WARNING: atoms too close: (T0369)E67.CB and (T0369)A69.CB only 0.000 apart, marking (T0369)A69.CB as missing WARNING: atoms too close: (T0369)D66.CB and (T0369)A69.CB only 0.000 apart, marking (T0369)A69.CB as missing WARNING: atoms too close: (T0369)A65.CB and (T0369)A69.CB only 0.000 apart, marking (T0369)A69.CB as missing WARNING: atoms too close: (T0369)T64.CB and (T0369)A69.CB only 0.000 apart, marking (T0369)A69.CB as missing WARNING: atoms too close: (T0369)A63.CB and (T0369)A69.CB only 0.000 apart, marking (T0369)A69.CB as missing WARNING: atoms too close: (T0369)M68.O and (T0369)A69.O only 0.000 apart, marking (T0369)A69.O as missing WARNING: atoms too close: (T0369)E67.O and (T0369)A69.O only 0.000 apart, marking (T0369)A69.O as missing WARNING: atoms too close: (T0369)D66.O and (T0369)A69.O only 0.000 apart, marking (T0369)A69.O as missing WARNING: atoms too close: (T0369)A65.O and (T0369)A69.O only 0.000 apart, marking (T0369)A69.O as missing WARNING: atoms too close: (T0369)T64.O and (T0369)A69.O only 0.000 apart, marking (T0369)A69.O as missing WARNING: atoms too close: (T0369)A63.O and (T0369)A69.O only 0.000 apart, marking (T0369)A69.O as missing WARNING: atoms too close: (T0369)M68.C and (T0369)A69.C only 0.000 apart, marking (T0369)A69.C as missing WARNING: atoms too close: (T0369)E67.C and (T0369)A69.C only 0.000 apart, marking (T0369)A69.C as missing WARNING: atoms too close: (T0369)D66.C and (T0369)A69.C only 0.000 apart, marking (T0369)A69.C as missing WARNING: atoms too close: (T0369)A65.C and (T0369)A69.C only 0.000 apart, marking (T0369)A69.C as missing WARNING: atoms too close: (T0369)T64.C and (T0369)A69.C only 0.000 apart, marking (T0369)A69.C as missing WARNING: atoms too close: (T0369)A63.C and (T0369)A69.C only 0.000 apart, marking (T0369)A69.C as missing WARNING: atoms too close: (T0369)A69.N and (T0369)Q70.N only 0.000 apart, marking (T0369)A69.N as missing WARNING: atoms too close: (T0369)M68.N and (T0369)Q70.N only 0.000 apart, marking (T0369)M68.N as missing WARNING: atoms too close: (T0369)E67.N and (T0369)Q70.N only 0.000 apart, marking (T0369)E67.N as missing WARNING: atoms too close: (T0369)D66.N and (T0369)Q70.N only 0.000 apart, marking (T0369)D66.N as missing WARNING: atoms too close: (T0369)A65.N and (T0369)Q70.N only 0.000 apart, marking (T0369)A65.N as missing WARNING: atoms too close: (T0369)T64.N and (T0369)Q70.N only 0.000 apart, marking (T0369)T64.N as missing WARNING: atoms too close: (T0369)A63.N and (T0369)Q70.N only 0.000 apart, marking (T0369)Q70.N as missing WARNING: atoms too close: (T0369)A69.CA and (T0369)Q70.CA only 0.000 apart, marking (T0369)Q70.CA as missing WARNING: atoms too close: (T0369)M68.CA and (T0369)Q70.CA only 0.000 apart, marking (T0369)Q70.CA as missing WARNING: atoms too close: (T0369)E67.CA and (T0369)Q70.CA only 0.000 apart, marking (T0369)Q70.CA as missing WARNING: atoms too close: (T0369)D66.CA and (T0369)Q70.CA only 0.000 apart, marking (T0369)Q70.CA as missing WARNING: atoms too close: (T0369)A65.CA and (T0369)Q70.CA only 0.000 apart, marking (T0369)Q70.CA as missing WARNING: atoms too close: (T0369)T64.CA and (T0369)Q70.CA only 0.000 apart, marking (T0369)Q70.CA as missing WARNING: atoms too close: (T0369)A63.CA and (T0369)Q70.CA only 0.000 apart, marking (T0369)Q70.CA as missing WARNING: atoms too close: (T0369)A69.CB and (T0369)Q70.CB only 0.000 apart, marking (T0369)Q70.CB as missing WARNING: atoms too close: (T0369)M68.CB and (T0369)Q70.CB only 0.000 apart, marking (T0369)Q70.CB as missing WARNING: atoms too close: (T0369)E67.CB and (T0369)Q70.CB only 0.000 apart, marking (T0369)Q70.CB as missing WARNING: atoms too close: (T0369)D66.CB and (T0369)Q70.CB only 0.000 apart, marking (T0369)Q70.CB as missing WARNING: atoms too close: (T0369)A65.CB and (T0369)Q70.CB only 0.000 apart, marking (T0369)Q70.CB as missing WARNING: atoms too close: (T0369)T64.CB and (T0369)Q70.CB only 0.000 apart, marking (T0369)Q70.CB as missing WARNING: atoms too close: (T0369)A63.CB and (T0369)Q70.CB only 0.000 apart, marking (T0369)Q70.CB as missing WARNING: atoms too close: (T0369)M68.CG and (T0369)Q70.CG only 0.000 apart, marking (T0369)Q70.CG as missing WARNING: atoms too close: (T0369)E67.CG and (T0369)Q70.CG only 0.000 apart, marking (T0369)Q70.CG as missing WARNING: atoms too close: (T0369)D66.CG and (T0369)Q70.CG only 0.000 apart, marking (T0369)Q70.CG as missing WARNING: atoms too close: (T0369)T64.CG2 and (T0369)Q70.CG only 0.000 apart, marking (T0369)Q70.CG as missing WARNING: atoms too close: (T0369)E67.CD and (T0369)Q70.CD only 0.000 apart, marking (T0369)Q70.CD as missing WARNING: atoms too close: (T0369)A69.O and (T0369)Q70.O only 0.000 apart, marking (T0369)Q70.O as missing WARNING: atoms too close: (T0369)M68.O and (T0369)Q70.O only 0.000 apart, marking (T0369)Q70.O as missing WARNING: atoms too close: (T0369)E67.O and (T0369)Q70.O only 0.000 apart, marking (T0369)Q70.O as missing WARNING: atoms too close: (T0369)D66.O and (T0369)Q70.O only 0.000 apart, marking (T0369)Q70.O as missing WARNING: atoms too close: (T0369)A65.O and (T0369)Q70.O only 0.000 apart, marking (T0369)Q70.O as missing WARNING: atoms too close: (T0369)T64.O and (T0369)Q70.O only 0.000 apart, marking (T0369)Q70.O as missing WARNING: atoms too close: (T0369)A63.O and (T0369)Q70.O only 0.000 apart, marking (T0369)Q70.O as missing WARNING: atoms too close: (T0369)A69.C and (T0369)Q70.C only 0.000 apart, marking (T0369)Q70.C as missing WARNING: atoms too close: (T0369)M68.C and (T0369)Q70.C only 0.000 apart, marking (T0369)Q70.C as missing WARNING: atoms too close: (T0369)E67.C and (T0369)Q70.C only 0.000 apart, marking (T0369)Q70.C as missing WARNING: atoms too close: (T0369)D66.C and (T0369)Q70.C only 0.000 apart, marking (T0369)Q70.C as missing WARNING: atoms too close: (T0369)A65.C and (T0369)Q70.C only 0.000 apart, marking (T0369)Q70.C as missing WARNING: atoms too close: (T0369)T64.C and (T0369)Q70.C only 0.000 apart, marking (T0369)Q70.C as missing WARNING: atoms too close: (T0369)A63.C and (T0369)Q70.C only 0.000 apart, marking (T0369)Q70.C as missing WARNING: atoms too close: (T0369)Q70.N and (T0369)F71.N only 0.000 apart, marking (T0369)Q70.N as missing WARNING: atoms too close: (T0369)A69.N and (T0369)F71.N only 0.000 apart, marking (T0369)A69.N as missing WARNING: atoms too close: (T0369)M68.N and (T0369)F71.N only 0.000 apart, marking (T0369)M68.N as missing WARNING: atoms too close: (T0369)E67.N and (T0369)F71.N only 0.000 apart, marking (T0369)E67.N as missing WARNING: atoms too close: (T0369)D66.N and (T0369)F71.N only 0.000 apart, marking (T0369)D66.N as missing WARNING: atoms too close: (T0369)A65.N and (T0369)F71.N only 0.000 apart, marking (T0369)A65.N as missing WARNING: atoms too close: (T0369)T64.N and (T0369)F71.N only 0.000 apart, marking (T0369)T64.N as missing WARNING: atoms too close: (T0369)A63.N and (T0369)F71.N only 0.000 apart, marking (T0369)F71.N as missing WARNING: atoms too close: (T0369)Q70.CA and (T0369)F71.CA only 0.000 apart, marking (T0369)F71.CA as missing WARNING: atoms too close: (T0369)A69.CA and (T0369)F71.CA only 0.000 apart, marking (T0369)F71.CA as missing WARNING: atoms too close: (T0369)M68.CA and (T0369)F71.CA only 0.000 apart, marking (T0369)F71.CA as missing WARNING: atoms too close: (T0369)E67.CA and (T0369)F71.CA only 0.000 apart, marking (T0369)F71.CA as missing WARNING: atoms too close: (T0369)D66.CA and (T0369)F71.CA only 0.000 apart, marking (T0369)F71.CA as missing WARNING: atoms too close: (T0369)A65.CA and (T0369)F71.CA only 0.000 apart, marking (T0369)F71.CA as missing WARNING: atoms too close: (T0369)T64.CA and (T0369)F71.CA only 0.000 apart, marking (T0369)F71.CA as missing WARNING: atoms too close: (T0369)A63.CA and (T0369)F71.CA only 0.000 apart, marking (T0369)F71.CA as missing WARNING: atoms too close: (T0369)Q70.CB and (T0369)F71.CB only 0.000 apart, marking (T0369)F71.CB as missing WARNING: atoms too close: (T0369)A69.CB and (T0369)F71.CB only 0.000 apart, marking (T0369)F71.CB as missing WARNING: atoms too close: (T0369)M68.CB and (T0369)F71.CB only 0.000 apart, marking (T0369)F71.CB as missing WARNING: atoms too close: (T0369)E67.CB and (T0369)F71.CB only 0.000 apart, marking (T0369)F71.CB as missing WARNING: atoms too close: (T0369)D66.CB and (T0369)F71.CB only 0.000 apart, marking (T0369)F71.CB as missing WARNING: atoms too close: (T0369)A65.CB and (T0369)F71.CB only 0.000 apart, marking (T0369)F71.CB as missing WARNING: atoms too close: (T0369)T64.CB and (T0369)F71.CB only 0.000 apart, marking (T0369)F71.CB as missing WARNING: atoms too close: (T0369)A63.CB and (T0369)F71.CB only 0.000 apart, marking (T0369)F71.CB as missing WARNING: atoms too close: (T0369)Q70.CG and (T0369)F71.CG only 0.000 apart, marking (T0369)F71.CG as missing WARNING: atoms too close: (T0369)M68.CG and (T0369)F71.CG only 0.000 apart, marking (T0369)F71.CG as missing WARNING: atoms too close: (T0369)E67.CG and (T0369)F71.CG only 0.000 apart, marking (T0369)F71.CG as missing WARNING: atoms too close: (T0369)D66.CG and (T0369)F71.CG only 0.000 apart, marking (T0369)F71.CG as missing WARNING: atoms too close: (T0369)T64.CG2 and (T0369)F71.CG only 0.000 apart, marking (T0369)F71.CG as missing WARNING: atoms too close: (T0369)Q70.O and (T0369)F71.O only 0.000 apart, marking (T0369)F71.O as missing WARNING: atoms too close: (T0369)A69.O and (T0369)F71.O only 0.000 apart, marking (T0369)F71.O as missing WARNING: atoms too close: (T0369)M68.O and (T0369)F71.O only 0.000 apart, marking (T0369)F71.O as missing WARNING: atoms too close: (T0369)E67.O and (T0369)F71.O only 0.000 apart, marking (T0369)F71.O as missing WARNING: atoms too close: (T0369)D66.O and (T0369)F71.O only 0.000 apart, marking (T0369)F71.O as missing WARNING: atoms too close: (T0369)A65.O and (T0369)F71.O only 0.000 apart, marking (T0369)F71.O as missing WARNING: atoms too close: (T0369)T64.O and (T0369)F71.O only 0.000 apart, marking (T0369)F71.O as missing WARNING: atoms too close: (T0369)A63.O and (T0369)F71.O only 0.000 apart, marking (T0369)F71.O as missing WARNING: atoms too close: (T0369)Q70.C and (T0369)F71.C only 0.000 apart, marking (T0369)F71.C as missing WARNING: atoms too close: (T0369)A69.C and (T0369)F71.C only 0.000 apart, marking (T0369)F71.C as missing WARNING: atoms too close: (T0369)M68.C and (T0369)F71.C only 0.000 apart, marking (T0369)F71.C as missing WARNING: atoms too close: (T0369)E67.C and (T0369)F71.C only 0.000 apart, marking (T0369)F71.C as missing WARNING: atoms too close: (T0369)D66.C and (T0369)F71.C only 0.000 apart, marking (T0369)F71.C as missing WARNING: atoms too close: (T0369)A65.C and (T0369)F71.C only 0.000 apart, marking (T0369)F71.C as missing WARNING: atoms too close: (T0369)T64.C and (T0369)F71.C only 0.000 apart, marking (T0369)F71.C as missing WARNING: atoms too close: (T0369)A63.C and (T0369)F71.C only 0.000 apart, marking (T0369)F71.C as missing # WARNING: incomplete conformation T0369 can't currently be optimized by undertaker # naming current conformation panther2_TS1 # request to SCWRL produces command: ulimit -t 134 ; scwrl3 -i /var/tmp/to_scwrl_1761004542.pdb -s /var/tmp/to_scwrl_1761004542.seq -o /var/tmp/from_scwrl_1761004542.pdb > /var/tmp/scwrl_1761004542.log Error: Couldn't open file /var/tmp/from_scwrl_1761004542.pdb or /var/tmp/from_scwrl_1761004542.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1761004542_b.pdb or decoys//var/tmp/from_scwrl_1761004542_b.pdb.gz for input Trying /var/tmp/from_scwrl_1761004542_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1761004542_b.pdb or /var/tmp/from_scwrl_1761004542_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1761004542_a.pdb or decoys//var/tmp/from_scwrl_1761004542_a.pdb.gz for input Trying /var/tmp/from_scwrl_1761004542_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1761004542_a.pdb or /var/tmp/from_scwrl_1761004542_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1761004542.pdb or /var/tmp/from_scwrl_1761004542_b.pdb or /var/tmp/from_scwrl_1761004542_a.pdb Error: no new SCWRL conformation added # naming current conformation panther2_TS1-scwrl # ReadConformPDB reading from PDB file servers/shub_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0369 can't currently be optimized by undertaker # naming current conformation shub_TS1 # request to SCWRL produces command: ulimit -t 134 ; scwrl3 -i /var/tmp/to_scwrl_1708807388.pdb -s /var/tmp/to_scwrl_1708807388.seq -o /var/tmp/from_scwrl_1708807388.pdb > /var/tmp/scwrl_1708807388.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1708807388.pdb # conformation set from SCWRL output # naming current conformation shub_TS1-scwrl # command:CPU_time= 59.680 sec, elapsed time= 1189.279 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 54.463 real_cost = -52.181 shub_TS1 costs 54.436 real_cost = -42.064 panther2_TS1-scwrl costs 153.479 real_cost = 459.599 nFOLD_TS5-scwrl costs 97.646 real_cost = 344.854 nFOLD_TS5 costs 97.592 real_cost = 381.535 nFOLD_TS4-scwrl costs 70.028 real_cost = 256.722 nFOLD_TS4 costs 70.227 real_cost = 317.969 nFOLD_TS3-scwrl costs 103.949 real_cost = 261.973 nFOLD_TS3 costs 103.949 real_cost = 347.459 nFOLD_TS2-scwrl costs 76.791 real_cost = 239.074 nFOLD_TS2 costs 76.874 real_cost = 308.651 nFOLD_TS1-scwrl costs 60.225 real_cost = 52.727 nFOLD_TS1 costs 60.230 real_cost = 119.388 mGen-3D_TS1-scwrl costs 37.466 real_cost = -2.154 mGen-3D_TS1 costs 37.473 real_cost = 84.670 keasar-server_TS5-scwrl costs 61.850 real_cost = -1.910 keasar-server_TS5 costs 61.850 real_cost = 15.575 keasar-server_TS4-scwrl costs 71.076 real_cost = 138.157 keasar-server_TS4 costs 71.076 real_cost = 140.284 keasar-server_TS3-scwrl costs 58.865 real_cost = 22.035 keasar-server_TS3 costs 58.865 real_cost = 38.507 keasar-server_TS2-scwrl costs 74.755 real_cost = 10.023 keasar-server_TS2 costs 74.755 real_cost = 8.508 keasar-server_TS1-scwrl costs 54.599 real_cost = 15.038 keasar-server_TS1 costs 54.599 real_cost = 30.154 karypis.srv_TS5-scwrl costs 58.354 real_cost = 152.261 karypis.srv_TS5 costs 58.344 real_cost = 149.625 karypis.srv_TS4-scwrl costs 71.327 real_cost = 176.393 karypis.srv_TS4 costs 71.333 real_cost = 170.118 karypis.srv_TS3-scwrl costs 94.518 real_cost = 231.120 karypis.srv_TS3 costs 94.499 real_cost = 229.748 karypis.srv_TS2-scwrl costs 75.630 real_cost = 239.602 karypis.srv_TS2 costs 75.648 real_cost = 237.186 karypis.srv_TS1-scwrl costs 62.694 real_cost = 115.947 karypis.srv_TS1 costs 62.700 real_cost = 111.090 karypis.srv.4_TS5-scwrl costs 133.613 real_cost = 291.445 karypis.srv.4_TS5 costs 133.613 real_cost = 291.454 karypis.srv.4_TS4-scwrl costs 139.767 real_cost = 286.883 karypis.srv.4_TS4 costs 139.767 real_cost = 286.883 karypis.srv.4_TS3-scwrl costs 165.507 real_cost = 284.095 karypis.srv.4_TS3 costs 165.507 real_cost = 284.093 karypis.srv.4_TS2-scwrl costs 148.658 real_cost = 309.689 karypis.srv.4_TS2 costs 148.658 real_cost = 306.811 karypis.srv.4_TS1-scwrl costs 112.427 real_cost = 269.534 karypis.srv.4_TS1 costs 112.427 real_cost = 269.158 karypis.srv.2_TS5-scwrl costs 81.827 real_cost = 230.982 karypis.srv.2_TS5 costs 81.827 real_cost = 230.982 karypis.srv.2_TS4-scwrl costs 79.371 real_cost = 217.943 karypis.srv.2_TS4 costs 79.371 real_cost = 217.943 karypis.srv.2_TS3-scwrl costs 92.609 real_cost = 243.214 karypis.srv.2_TS3 costs 92.609 real_cost = 243.214 karypis.srv.2_TS2-scwrl costs 74.305 real_cost = 223.151 karypis.srv.2_TS2 costs 74.305 real_cost = 223.151 karypis.srv.2_TS1-scwrl costs 73.779 real_cost = 215.335 karypis.srv.2_TS1 costs 73.779 real_cost = 215.335 forecast-s_AL5-scwrl costs 122.266 real_cost = 395.472 forecast-s_AL5 costs 122.273 real_cost = 443.583 forecast-s_AL4-scwrl costs 107.807 real_cost = 263.327 forecast-s_AL4 costs 107.921 real_cost = 353.401 forecast-s_AL3-scwrl costs 123.585 real_cost = 426.523 forecast-s_AL3 costs 123.578 real_cost = 466.098 forecast-s_AL2-scwrl costs 144.333 real_cost = 398.661 forecast-s_AL2 costs 144.384 real_cost = 469.696 forecast-s_AL1-scwrl costs 125.286 real_cost = 438.408 forecast-s_AL1 costs 125.228 real_cost = 476.127 beautshotbase_TS1-scwrl costs 55.864 real_cost = 26.816 beautshotbase_TS1 costs 55.872 real_cost = 32.749 beautshot_TS1-scwrl costs 84.005 real_cost = 7.174 beautshot_TS1 costs 84.005 real_cost = 16.097 Zhang-Server_TS5-scwrl costs 41.043 real_cost = -64.902 Zhang-Server_TS5 costs 41.043 real_cost = -64.902 Zhang-Server_TS4-scwrl costs 40.015 real_cost = -91.316 Zhang-Server_TS4 costs 40.015 real_cost = -90.733 Zhang-Server_TS3-scwrl costs 50.462 real_cost = -74.401 Zhang-Server_TS3 costs 50.462 real_cost = -74.378 Zhang-Server_TS2-scwrl costs 47.885 real_cost = -76.176 Zhang-Server_TS2 costs 47.885 real_cost = -75.781 Zhang-Server_TS1-scwrl costs 36.613 real_cost = -97.427 Zhang-Server_TS1 costs 36.613 real_cost = -97.427 UNI-EID_sfst_AL1-scwrl costs 36.308 real_cost = -44.513 UNI-EID_sfst_AL1 costs 36.319 real_cost = 64.569 UNI-EID_expm_TS1-scwrl costs 55.395 real_cost = -53.067 UNI-EID_expm_TS1 costs 55.403 real_cost = 32.881 UNI-EID_bnmx_TS1-scwrl costs 37.176 real_cost = -59.466 UNI-EID_bnmx_TS1 costs 37.184 real_cost = 54.492 SPARKS2_TS5-scwrl costs 79.852 real_cost = 201.066 SPARKS2_TS5 costs 79.852 real_cost = 209.720 SPARKS2_TS4-scwrl costs 85.459 real_cost = 211.406 SPARKS2_TS4 costs 85.459 real_cost = 214.814 SPARKS2_TS3-scwrl costs 58.956 real_cost = 194.640 SPARKS2_TS3 costs 58.956 real_cost = 202.527 SPARKS2_TS2-scwrl costs 79.313 real_cost = 212.816 SPARKS2_TS2 costs 79.313 real_cost = 216.090 SPARKS2_TS1-scwrl costs 58.414 real_cost = 20.701 SPARKS2_TS1 costs 58.414 real_cost = 24.080 SP4_TS5-scwrl costs 69.827 real_cost = 193.786 SP4_TS5 costs 69.827 real_cost = 199.325 SP4_TS4-scwrl costs 76.884 real_cost = 230.335 SP4_TS4 costs 76.884 real_cost = 231.395 SP4_TS3-scwrl costs 61.632 real_cost = 174.958 SP4_TS3 costs 61.632 real_cost = 175.940 SP4_TS2-scwrl costs 50.565 real_cost = 17.417 SP4_TS2 costs 50.565 real_cost = 14.877 SP4_TS1-scwrl costs 66.846 real_cost = 39.834 SP4_TS1 costs 66.846 real_cost = 44.985 SP3_TS5-scwrl costs 73.987 real_cost = 214.036 SP3_TS5 costs 73.987 real_cost = 216.296 SP3_TS4-scwrl costs 69.827 real_cost = 193.786 SP3_TS4 costs 69.827 real_cost = 199.325 SP3_TS3-scwrl costs 70.271 real_cost = 217.904 SP3_TS3 costs 70.271 real_cost = 219.803 SP3_TS2-scwrl costs 46.315 real_cost = 103.579 SP3_TS2 costs 46.315 real_cost = 105.228 SP3_TS1-scwrl costs 58.862 real_cost = 29.697 SP3_TS1 costs 58.862 real_cost = 24.463 SAM_T06_server_TS5-scwrl costs 111.722 real_cost = 378.920 SAM_T06_server_TS5 costs 111.746 real_cost = 353.776 SAM_T06_server_TS4-scwrl costs 107.511 real_cost = 339.271 SAM_T06_server_TS4 costs 107.490 real_cost = 316.071 SAM_T06_server_TS3-scwrl costs 47.172 real_cost = 14.301 SAM_T06_server_TS3 costs 47.064 real_cost = 0.123 SAM_T06_server_TS2-scwrl costs 68.503 real_cost = 21.339 SAM_T06_server_TS2 costs 68.922 real_cost = 7.182 SAM_T06_server_TS1-scwrl costs 51.421 real_cost = 151.760 SAM_T06_server_TS1 costs 51.421 real_cost = 151.539 SAM-T99_AL3-scwrl costs 71.534 real_cost = 103.496 SAM-T99_AL3 costs 71.406 real_cost = 180.384 SAM-T99_AL2-scwrl costs 62.258 real_cost = -25.259 SAM-T99_AL2 costs 62.280 real_cost = 67.602 SAM-T99_AL1-scwrl costs 61.906 real_cost = -35.135 SAM-T99_AL1 costs 61.928 real_cost = 62.943 SAM-T02_AL4-scwrl costs 124.636 real_cost = 435.946 SAM-T02_AL4 costs 124.703 real_cost = 465.280 SAM-T02_AL3-scwrl costs 130.887 real_cost = 417.829 SAM-T02_AL3 costs 130.851 real_cost = 442.541 SAM-T02_AL2-scwrl costs 48.539 real_cost = 22.495 SAM-T02_AL2 costs 48.422 real_cost = 115.194 SAM-T02_AL1-scwrl costs 65.619 real_cost = 7.698 SAM-T02_AL1 costs 65.663 real_cost = 107.228 ROKKY_TS5-scwrl costs 45.614 real_cost = 161.042 ROKKY_TS5 costs 45.614 real_cost = 283.011 ROKKY_TS4-scwrl costs 41.677 real_cost = 157.128 ROKKY_TS4 costs 41.677 real_cost = 283.091 ROKKY_TS3-scwrl costs 46.508 real_cost = 182.092 ROKKY_TS3 costs 46.508 real_cost = 300.380 ROKKY_TS2-scwrl costs 47.234 real_cost = 157.027 ROKKY_TS2 costs 47.234 real_cost = 283.611 ROKKY_TS1-scwrl costs 44.555 real_cost = 144.582 ROKKY_TS1 costs 44.555 real_cost = 263.161 ROBETTA_TS5-scwrl costs 55.373 real_cost = -14.021 ROBETTA_TS5 costs 55.373 real_cost = -10.199 ROBETTA_TS4-scwrl costs 39.384 real_cost = 1.722 ROBETTA_TS4 costs 39.384 real_cost = 2.166 ROBETTA_TS3-scwrl costs 39.389 real_cost = 5.890 ROBETTA_TS3 costs 39.389 real_cost = 9.277 ROBETTA_TS2-scwrl costs 35.707 real_cost = -69.820 ROBETTA_TS2 costs 35.707 real_cost = -72.269 ROBETTA_TS1-scwrl costs 33.877 real_cost = -74.249 ROBETTA_TS1 costs 33.877 real_cost = -72.818 RAPTOR_TS5-scwrl costs 64.114 real_cost = 193.173 RAPTOR_TS5 costs 64.114 real_cost = 198.261 RAPTOR_TS4-scwrl costs 66.190 real_cost = 182.000 RAPTOR_TS4 costs 66.190 real_cost = 182.389 RAPTOR_TS3-scwrl costs 68.051 real_cost = 186.102 RAPTOR_TS3 costs 68.051 real_cost = 190.630 RAPTOR_TS2-scwrl costs 29.815 real_cost = -71.595 RAPTOR_TS2 costs 29.815 real_cost = -62.059 RAPTOR_TS1-scwrl costs 50.121 real_cost = 177.345 RAPTOR_TS1 costs 50.121 real_cost = 178.967 RAPTORESS_TS5-scwrl costs 71.761 real_cost = 194.795 RAPTORESS_TS5 costs 71.761 real_cost = 199.488 RAPTORESS_TS4-scwrl costs 71.131 real_cost = 182.238 RAPTORESS_TS4 costs 71.131 real_cost = 187.235 RAPTORESS_TS3-scwrl costs 77.873 real_cost = 203.454 RAPTORESS_TS3 costs 77.873 real_cost = 212.866 RAPTORESS_TS2-scwrl costs 39.610 real_cost = -63.173 RAPTORESS_TS2 costs 39.610 real_cost = -54.752 RAPTORESS_TS1-scwrl costs 52.082 real_cost = 185.028 RAPTORESS_TS1 costs 52.082 real_cost = 191.807 RAPTOR-ACE_TS5-scwrl costs 58.497 real_cost = 4.462 RAPTOR-ACE_TS5 costs 58.497 real_cost = 11.910 RAPTOR-ACE_TS4-scwrl costs 58.862 real_cost = 29.697 RAPTOR-ACE_TS4 costs 58.862 real_cost = 24.463 RAPTOR-ACE_TS3-scwrl costs 62.829 real_cost = -7.257 RAPTOR-ACE_TS3 costs 62.829 real_cost = 0.601 RAPTOR-ACE_TS2-scwrl costs 59.269 real_cost = 35.913 RAPTOR-ACE_TS2 costs 59.269 real_cost = 37.477 RAPTOR-ACE_TS1-scwrl costs 35.337 real_cost = -53.626 RAPTOR-ACE_TS1 costs 35.337 real_cost = -49.103 Pmodeller6_TS5-scwrl costs 42.855 real_cost = -25.175 Pmodeller6_TS5 costs 42.855 real_cost = -25.175 Pmodeller6_TS4-scwrl costs 50.970 real_cost = 44.741 Pmodeller6_TS4 costs 50.952 real_cost = 38.525 Pmodeller6_TS3-scwrl costs 33.877 real_cost = -74.249 Pmodeller6_TS3 costs 33.877 real_cost = -72.818 Pmodeller6_TS2-scwrl costs 35.707 real_cost = -69.820 Pmodeller6_TS2 costs 35.707 real_cost = -72.269 Pmodeller6_TS1-scwrl costs 44.133 real_cost = -37.239 Pmodeller6_TS1 costs 44.133 real_cost = -36.931 Phyre-2_TS5-scwrl costs 60.890 real_cost = 40.652 Phyre-2_TS5 costs 60.890 real_cost = 36.667 Phyre-2_TS4-scwrl costs 57.146 real_cost = 16.977 Phyre-2_TS4 costs 57.146 real_cost = 13.220 Phyre-2_TS3-scwrl costs 56.317 real_cost = 16.650 Phyre-2_TS3 costs 56.317 real_cost = 14.176 Phyre-2_TS2-scwrl costs 65.521 real_cost = 32.524 Phyre-2_TS2 costs 65.521 real_cost = 28.724 Phyre-2_TS1-scwrl costs 55.492 real_cost = 0.147 Phyre-2_TS1 costs 55.492 real_cost = -2.855 Phyre-1_TS1-scwrl costs 68.882 real_cost = 62.837 Phyre-1_TS1 costs 68.873 real_cost = 60.861 Pcons6_TS5-scwrl costs 40.217 real_cost = -40.267 Pcons6_TS5 costs 40.198 real_cost = -41.077 Pcons6_TS4-scwrl costs 50.822 real_cost = 50.336 Pcons6_TS4 costs 50.793 real_cost = 42.403 Pcons6_TS3-scwrl costs 47.779 real_cost = 34.970 Pcons6_TS3 costs 47.760 real_cost = 32.086 Pcons6_TS2-scwrl costs 47.149 real_cost = -53.873 Pcons6_TS2 costs 47.157 real_cost = -54.913 Pcons6_TS1-scwrl costs 47.779 real_cost = 34.970 Pcons6_TS1 costs 47.760 real_cost = 32.086 PROTINFO_TS5-scwrl costs 54.440 real_cost = 22.952 PROTINFO_TS5 costs 54.440 real_cost = 24.809 PROTINFO_TS4-scwrl costs 48.451 real_cost = 7.635 PROTINFO_TS4 costs 48.451 real_cost = 6.689 PROTINFO_TS3-scwrl costs 59.717 real_cost = 245.431 PROTINFO_TS3 costs 59.717 real_cost = 244.915 PROTINFO_TS2-scwrl costs 81.337 real_cost = 176.088 PROTINFO_TS2 costs 81.337 real_cost = 181.045 PROTINFO_TS1-scwrl costs 58.918 real_cost = 191.340 PROTINFO_TS1 costs 58.918 real_cost = 194.296 PROTINFO-AB_TS5-scwrl costs 58.332 real_cost = 179.370 PROTINFO-AB_TS5 costs 58.332 real_cost = 181.784 PROTINFO-AB_TS4-scwrl costs 54.877 real_cost = 36.220 PROTINFO-AB_TS4 costs 54.877 real_cost = 38.487 PROTINFO-AB_TS3-scwrl costs 54.591 real_cost = 25.829 PROTINFO-AB_TS3 costs 54.591 real_cost = 26.484 PROTINFO-AB_TS2-scwrl costs 55.950 real_cost = 32.182 PROTINFO-AB_TS2 costs 55.950 real_cost = 37.977 PROTINFO-AB_TS1-scwrl costs 54.440 real_cost = 22.952 PROTINFO-AB_TS1 costs 54.440 real_cost = 24.809 POMYSL_TS5-scwrl costs 168.291 real_cost = 327.579 POMYSL_TS5 costs 168.291 real_cost = 324.057 POMYSL_TS4-scwrl costs 153.594 real_cost = 283.158 POMYSL_TS4 costs 153.594 real_cost = 286.821 POMYSL_TS3-scwrl costs 151.516 real_cost = 295.656 POMYSL_TS3 costs 151.516 real_cost = 305.932 POMYSL_TS2-scwrl costs 159.091 real_cost = 324.408 POMYSL_TS2 costs 159.187 real_cost = 334.473 POMYSL_TS1-scwrl costs 158.157 real_cost = 341.375 POMYSL_TS1 costs 158.183 real_cost = 345.271 NN_PUT_lab_TS1-scwrl costs 60.225 real_cost = 52.727 NN_PUT_lab_TS1 costs 60.230 real_cost = 119.388 MetaTasser_TS5-scwrl costs 54.056 real_cost = -56.253 MetaTasser_TS5 costs 54.056 real_cost = -53.370 MetaTasser_TS4-scwrl costs 53.817 real_cost = -36.087 MetaTasser_TS4 costs 53.817 real_cost = -30.100 MetaTasser_TS3-scwrl costs 54.015 real_cost = -74.267 MetaTasser_TS3 costs 54.015 real_cost = -66.602 MetaTasser_TS2-scwrl costs 58.354 real_cost = -85.842 MetaTasser_TS2 costs 58.354 real_cost = -73.211 MetaTasser_TS1-scwrl costs 56.078 real_cost = -82.987 MetaTasser_TS1 costs 56.078 real_cost = -78.973 Ma-OPUS-server_TS5-scwrl costs 69.139 real_cost = 213.917 Ma-OPUS-server_TS5 costs 69.139 real_cost = 216.222 Ma-OPUS-server_TS4-scwrl costs 56.900 real_cost = 207.216 Ma-OPUS-server_TS4 costs 56.900 real_cost = 212.411 Ma-OPUS-server_TS3-scwrl costs 65.017 real_cost = 192.474 Ma-OPUS-server_TS3 costs 65.017 real_cost = 192.557 Ma-OPUS-server_TS2-scwrl costs 50.788 real_cost = 40.813 Ma-OPUS-server_TS2 costs 50.788 real_cost = 46.094 Ma-OPUS-server_TS1-scwrl costs 72.104 real_cost = 72.834 Ma-OPUS-server_TS1 costs 72.104 real_cost = 79.739 Ma-OPUS-server2_TS5-scwrl costs 71.657 real_cost = 206.745 Ma-OPUS-server2_TS5 costs 71.657 real_cost = 211.684 Ma-OPUS-server2_TS4-scwrl costs 67.017 real_cost = 207.574 Ma-OPUS-server2_TS4 costs 67.017 real_cost = 210.549 Ma-OPUS-server2_TS3-scwrl costs 67.654 real_cost = 215.678 Ma-OPUS-server2_TS3 costs 67.654 real_cost = 219.197 Ma-OPUS-server2_TS2-scwrl costs 56.754 real_cost = 25.895 Ma-OPUS-server2_TS2 costs 56.754 real_cost = 26.607 Ma-OPUS-server2_TS1-scwrl costs 72.104 real_cost = 72.834 Ma-OPUS-server2_TS1 costs 72.104 real_cost = 79.739 MIG_FROST_AL1-scwrl costs 68.539 real_cost = 273.471 MIG_FROST_AL1 costs 68.571 real_cost = 340.854 LOOPP_TS5-scwrl costs 55.428 real_cost = 65.206 LOOPP_TS5 costs 55.409 real_cost = 65.175 LOOPP_TS4-scwrl costs 76.314 real_cost = 217.001 LOOPP_TS4 costs 76.295 real_cost = 215.725 LOOPP_TS3-scwrl costs 74.159 real_cost = 93.604 LOOPP_TS3 costs 74.143 real_cost = 100.617 LOOPP_TS2-scwrl costs 65.871 real_cost = 201.074 LOOPP_TS2 costs 65.871 real_cost = 207.391 LOOPP_TS1-scwrl costs 86.193 real_cost = 236.074 LOOPP_TS1 costs 86.174 real_cost = 240.852 Huber-Torda-Server_TS5-scwrl costs 106.161 real_cost = 343.474 Huber-Torda-Server_TS5 costs 106.045 real_cost = 371.479 Huber-Torda-Server_TS4-scwrl costs 54.827 real_cost = 3.973 Huber-Torda-Server_TS4 costs 54.845 real_cost = 79.810 Huber-Torda-Server_TS3-scwrl costs 96.729 real_cost = 269.429 Huber-Torda-Server_TS3 costs 96.770 real_cost = 316.309 Huber-Torda-Server_TS2-scwrl costs 100.033 real_cost = 304.116 Huber-Torda-Server_TS2 costs 100.202 real_cost = 346.839 Huber-Torda-Server_TS1-scwrl costs 88.114 real_cost = 280.023 Huber-Torda-Server_TS1 costs 88.188 real_cost = 340.490 HHpred3_TS1-scwrl costs 47.173 real_cost = -65.456 HHpred3_TS1 costs 47.173 real_cost = -59.650 HHpred2_TS1-scwrl costs 50.268 real_cost = -47.987 HHpred2_TS1 costs 50.268 real_cost = -53.775 HHpred1_TS1-scwrl costs 44.404 real_cost = -53.220 HHpred1_TS1 costs 44.404 real_cost = -55.141 GeneSilicoMetaServer_TS5-scwrl costs 60.402 real_cost = 4.703 GeneSilicoMetaServer_TS5 costs 60.410 real_cost = 10.280 GeneSilicoMetaServer_TS4-scwrl costs 57.565 real_cost = -16.680 GeneSilicoMetaServer_TS4 costs 57.565 real_cost = -8.662 GeneSilicoMetaServer_TS3-scwrl costs 38.401 real_cost = 0.485 GeneSilicoMetaServer_TS3 costs 38.399 real_cost = -6.905 GeneSilicoMetaServer_TS2-scwrl costs 64.832 real_cost = 6.366 GeneSilicoMetaServer_TS2 costs 64.825 real_cost = 2.903 GeneSilicoMetaServer_TS1-scwrl costs 56.598 real_cost = 4.401 GeneSilicoMetaServer_TS1 costs 56.609 real_cost = 3.035 Frankenstein_TS5-scwrl costs 163.925 real_cost = 326.051 Frankenstein_TS5 costs 163.925 real_cost = 327.038 Frankenstein_TS4-scwrl costs 143.005 real_cost = 260.640 Frankenstein_TS4 costs 143.005 real_cost = 264.479 Frankenstein_TS3-scwrl costs 150.714 real_cost = 311.528 Frankenstein_TS3 costs 150.714 real_cost = 317.422 Frankenstein_TS2-scwrl costs 107.239 real_cost = 271.435 Frankenstein_TS2 costs 107.239 real_cost = 271.114 Frankenstein_TS1-scwrl costs 69.577 real_cost = 97.730 Frankenstein_TS1 costs 69.577 real_cost = 97.872 FUNCTION_TS5-scwrl costs 79.850 real_cost = 174.975 FUNCTION_TS5 costs 79.850 real_cost = 182.326 FUNCTION_TS4-scwrl costs 71.946 real_cost = 196.958 FUNCTION_TS4 costs 71.946 real_cost = 205.538 FUNCTION_TS3-scwrl costs 53.391 real_cost = 134.999 FUNCTION_TS3 costs 53.391 real_cost = 135.455 FUNCTION_TS2-scwrl costs 60.529 real_cost = -10.804 FUNCTION_TS2 costs 60.529 real_cost = -6.958 FUNCTION_TS1-scwrl costs 40.555 real_cost = -23.286 FUNCTION_TS1 costs 40.555 real_cost = -20.079 FUGUE_AL5-scwrl costs 107.708 real_cost = 365.296 FUGUE_AL5 costs 107.708 real_cost = 367.582 FUGUE_AL4-scwrl costs 79.160 real_cost = 377.572 FUGUE_AL4 costs 79.160 real_cost = 372.404 FUGUE_AL3-scwrl costs 86.820 real_cost = 376.392 FUGUE_AL3 costs 86.820 real_cost = 375.024 FUGUE_AL2-scwrl costs 57.585 real_cost = 31.985 FUGUE_AL2 costs 57.589 real_cost = 147.296 FUGUE_AL1-scwrl costs 63.921 real_cost = 59.845 FUGUE_AL1 costs 63.878 real_cost = 152.517 FUGMOD_TS5-scwrl costs 117.995 real_cost = 251.813 FUGMOD_TS5 costs 117.995 real_cost = 258.913 FUGMOD_TS4-scwrl costs 77.722 real_cost = 244.306 FUGMOD_TS4 costs 77.722 real_cost = 242.651 FUGMOD_TS3-scwrl costs 88.034 real_cost = 272.342 FUGMOD_TS3 costs 88.034 real_cost = 266.560 FUGMOD_TS2-scwrl costs 62.391 real_cost = 23.158 FUGMOD_TS2 costs 62.391 real_cost = 34.768 FUGMOD_TS1-scwrl costs 59.446 real_cost = 44.107 FUGMOD_TS1 costs 59.446 real_cost = 46.358 FPSOLVER-SERVER_TS5-scwrl costs 137.305 real_cost = 272.041 FPSOLVER-SERVER_TS5 costs 137.305 real_cost = 277.710 FPSOLVER-SERVER_TS4-scwrl costs 139.644 real_cost = 280.716 FPSOLVER-SERVER_TS4 costs 139.644 real_cost = 290.643 FPSOLVER-SERVER_TS3-scwrl costs 154.825 real_cost = 284.912 FPSOLVER-SERVER_TS3 costs 154.825 real_cost = 285.188 FPSOLVER-SERVER_TS2-scwrl costs 136.419 real_cost = 254.069 FPSOLVER-SERVER_TS2 costs 136.419 real_cost = 255.306 FPSOLVER-SERVER_TS1-scwrl costs 144.464 real_cost = 284.643 FPSOLVER-SERVER_TS1 costs 144.464 real_cost = 289.546 FORTE2_AL5-scwrl costs 82.182 real_cost = 277.458 FORTE2_AL5 costs 82.212 real_cost = 358.459 FORTE2_AL4-scwrl costs 67.287 real_cost = 240.130 FORTE2_AL4 costs 67.221 real_cost = 341.863 FORTE2_AL3-scwrl costs 72.125 real_cost = 254.746 FORTE2_AL3 costs 72.184 real_cost = 342.561 FORTE2_AL2-scwrl costs 57.850 real_cost = 18.444 FORTE2_AL2 costs 57.891 real_cost = 124.511 FORTE2_AL1-scwrl costs 40.854 real_cost = -9.119 FORTE2_AL1 costs 40.861 real_cost = 105.275 FORTE1_AL5-scwrl costs 82.182 real_cost = 277.458 FORTE1_AL5 costs 82.212 real_cost = 358.459 FORTE1_AL4-scwrl costs 67.287 real_cost = 240.130 FORTE1_AL4 costs 67.221 real_cost = 341.863 FORTE1_AL3-scwrl costs 72.125 real_cost = 254.746 FORTE1_AL3 costs 72.184 real_cost = 342.561 FORTE1_AL2-scwrl costs 57.850 real_cost = 18.444 FORTE1_AL2 costs 57.891 real_cost = 124.511 FORTE1_AL1-scwrl costs 40.854 real_cost = -9.119 FORTE1_AL1 costs 40.861 real_cost = 105.275 FOLDpro_TS5-scwrl costs 96.027 real_cost = 245.618 FOLDpro_TS5 costs 96.027 real_cost = 253.582 FOLDpro_TS4-scwrl costs 122.067 real_cost = 257.799 FOLDpro_TS4 costs 122.067 real_cost = 260.718 FOLDpro_TS3-scwrl costs 95.364 real_cost = 208.873 FOLDpro_TS3 costs 95.364 real_cost = 212.280 FOLDpro_TS2-scwrl costs 90.047 real_cost = 227.820 FOLDpro_TS2 costs 90.047 real_cost = 227.649 FOLDpro_TS1-scwrl costs 65.652 real_cost = 21.200 FOLDpro_TS1 costs 65.652 real_cost = 23.719 FAMS_TS5-scwrl costs 44.615 real_cost = -17.329 FAMS_TS5 costs 44.622 real_cost = -12.479 FAMS_TS4-scwrl costs 52.673 real_cost = -10.750 FAMS_TS4 costs 52.673 real_cost = -3.237 FAMS_TS3-scwrl costs 46.480 real_cost = -16.571 FAMS_TS3 costs 46.488 real_cost = -20.783 FAMS_TS2-scwrl costs 46.480 real_cost = -16.571 FAMS_TS2 costs 46.488 real_cost = -20.783 FAMS_TS1-scwrl costs 58.703 real_cost = -2.250 FAMS_TS1 costs 58.703 real_cost = 0.800 FAMSD_TS5-scwrl costs 72.797 real_cost = 177.317 FAMSD_TS5 costs 72.799 real_cost = 178.425 FAMSD_TS4-scwrl costs 52.673 real_cost = -10.750 FAMSD_TS4 costs 52.673 real_cost = -3.237 FAMSD_TS3-scwrl costs 49.276 real_cost = 126.285 FAMSD_TS3 costs 49.276 real_cost = 126.019 FAMSD_TS2-scwrl costs 44.615 real_cost = -17.329 FAMSD_TS2 costs 44.622 real_cost = -12.479 FAMSD_TS1-scwrl costs 43.753 real_cost = -35.083 FAMSD_TS1 costs 43.753 real_cost = -35.796 Distill_TS5-scwrl costs 247.343 real_cost = 430.214 Distill_TS4-scwrl costs 247.757 real_cost = 424.637 Distill_TS3-scwrl costs 248.700 real_cost = 421.995 Distill_TS2-scwrl costs 246.948 real_cost = 428.750 Distill_TS1-scwrl costs 248.907 real_cost = 422.100 CaspIta-FOX_TS5-scwrl costs 74.144 real_cost = 273.406 CaspIta-FOX_TS5 costs 74.142 real_cost = 269.470 CaspIta-FOX_TS4-scwrl costs 85.368 real_cost = 250.716 CaspIta-FOX_TS4 costs 85.389 real_cost = 250.940 CaspIta-FOX_TS3-scwrl costs 62.039 real_cost = 194.876 CaspIta-FOX_TS3 costs 62.042 real_cost = 194.915 CaspIta-FOX_TS2-scwrl costs 87.566 real_cost = 213.460 CaspIta-FOX_TS2 costs 87.560 real_cost = 209.168 CaspIta-FOX_TS1-scwrl costs 91.412 real_cost = 262.322 CaspIta-FOX_TS1 costs 91.475 real_cost = 263.098 CIRCLE_TS5-scwrl costs 44.205 real_cost = -13.158 CIRCLE_TS5 costs 44.212 real_cost = -13.563 CIRCLE_TS4-scwrl costs 44.615 real_cost = -17.329 CIRCLE_TS4 costs 44.622 real_cost = -12.479 CIRCLE_TS3-scwrl costs 46.480 real_cost = -16.571 CIRCLE_TS3 costs 46.488 real_cost = -20.783 CIRCLE_TS2-scwrl costs 66.780 real_cost = 182.876 CIRCLE_TS2 costs 66.780 real_cost = 179.066 CIRCLE_TS1-scwrl costs 39.607 real_cost = 21.715 CIRCLE_TS1 costs 39.607 real_cost = 29.505 Bilab-ENABLE_TS1-scwrl costs 56.801 real_cost = 41.983 Bilab-ENABLE_TS1 costs 56.801 real_cost = 41.961 BayesHH_TS1-scwrl costs 51.450 real_cost = -43.075 BayesHH_TS1 costs 51.450 real_cost = -38.385 ABIpro_TS5-scwrl costs 66.254 real_cost = 234.795 ABIpro_TS5 costs 66.254 real_cost = 234.708 ABIpro_TS4-scwrl costs 59.655 real_cost = 210.394 ABIpro_TS4 costs 59.655 real_cost = 211.330 ABIpro_TS3-scwrl costs 66.425 real_cost = 203.791 ABIpro_TS3 costs 66.425 real_cost = 203.791 ABIpro_TS2-scwrl costs 59.753 real_cost = 228.724 ABIpro_TS2 costs 59.753 real_cost = 228.724 ABIpro_TS1-scwrl costs 60.039 real_cost = 228.194 ABIpro_TS1 costs 60.039 real_cost = 228.235 3Dpro_TS5-scwrl costs 146.011 real_cost = 280.158 3Dpro_TS5 costs 146.011 real_cost = 282.899 3Dpro_TS4-scwrl costs 126.889 real_cost = 253.430 3Dpro_TS4 costs 126.889 real_cost = 255.838 3Dpro_TS3-scwrl costs 60.039 real_cost = 228.194 3Dpro_TS3 costs 60.039 real_cost = 228.235 3Dpro_TS2-scwrl costs 132.344 real_cost = 306.907 3Dpro_TS2 costs 132.344 real_cost = 304.634 3Dpro_TS1-scwrl costs 59.753 real_cost = 228.724 3Dpro_TS1 costs 59.753 real_cost = 228.724 3D-JIGSAW_TS5-scwrl costs 66.407 real_cost = 207.636 3D-JIGSAW_TS5 costs 66.417 real_cost = 208.516 3D-JIGSAW_TS4-scwrl costs 86.980 real_cost = 361.557 3D-JIGSAW_TS4 costs 86.948 real_cost = 344.678 3D-JIGSAW_TS3-scwrl costs 73.150 real_cost = 185.440 3D-JIGSAW_TS3 costs 73.150 real_cost = 195.828 3D-JIGSAW_TS2-scwrl costs 66.073 real_cost = 240.789 3D-JIGSAW_TS2 costs 66.091 real_cost = 244.344 3D-JIGSAW_TS1-scwrl costs 59.049 real_cost = 14.694 3D-JIGSAW_TS1 costs 59.069 real_cost = 6.528 3D-JIGSAW_RECOM_TS5-scwrl costs 59.176 real_cost = 67.102 3D-JIGSAW_RECOM_TS5 costs 59.208 real_cost = 64.413 3D-JIGSAW_RECOM_TS4-scwrl costs 59.557 real_cost = 23.551 3D-JIGSAW_RECOM_TS4 costs 59.577 real_cost = 15.766 3D-JIGSAW_RECOM_TS3-scwrl costs 60.243 real_cost = 23.426 3D-JIGSAW_RECOM_TS3 costs 60.263 real_cost = 15.600 3D-JIGSAW_RECOM_TS2-scwrl costs 60.043 real_cost = 13.547 3D-JIGSAW_RECOM_TS2 costs 60.064 real_cost = 5.752 3D-JIGSAW_RECOM_TS1-scwrl costs 58.554 real_cost = 13.415 3D-JIGSAW_RECOM_TS1 costs 58.574 real_cost = 1.357 3D-JIGSAW_POPULUS_TS5-scwrl costs 54.437 real_cost = 195.699 3D-JIGSAW_POPULUS_TS5 costs 54.437 real_cost = 195.699 3D-JIGSAW_POPULUS_TS4-scwrl costs 55.134 real_cost = 190.346 3D-JIGSAW_POPULUS_TS4 costs 55.134 real_cost = 190.346 3D-JIGSAW_POPULUS_TS3-scwrl costs 60.686 real_cost = 193.658 3D-JIGSAW_POPULUS_TS3 costs 60.686 real_cost = 193.670 3D-JIGSAW_POPULUS_TS2-scwrl costs 53.717 real_cost = 194.957 3D-JIGSAW_POPULUS_TS2 costs 53.717 real_cost = 194.957 3D-JIGSAW_POPULUS_TS1-scwrl costs 55.709 real_cost = 177.005 3D-JIGSAW_POPULUS_TS1 costs 55.709 real_cost = 176.959 T0369.try9-opt2.repack-nonPC.pdb.gz costs 44.669 real_cost = 22.853 T0369.try9-opt2.pdb.gz costs 44.669 real_cost = 22.066 T0369.try9-opt2.gromacs0.repack-nonPC.pdb.gz costs 39.718 real_cost = 24.481 T0369.try9-opt2.gromacs0.pdb.gz costs 39.718 real_cost = 21.903 T0369.try9-opt1.pdb.gz costs 44.836 real_cost = 24.029 T0369.try9-opt1-scwrl.pdb.gz costs 44.836 real_cost = 21.813 T0369.try8-opt2.repack-nonPC.pdb.gz costs 46.701 real_cost = 8.820 T0369.try8-opt2.pdb.gz costs 46.701 real_cost = 12.278 T0369.try8-opt2.gromacs0.repack-nonPC.pdb.gz costs 38.000 real_cost = 11.004 T0369.try8-opt2.gromacs0.pdb.gz costs 38.000 real_cost = 12.286 T0369.try8-opt1.pdb.gz costs 42.672 real_cost = 10.208 T0369.try8-opt1-scwrl.pdb.gz costs 42.672 real_cost = 8.409 T0369.try7-opt2.repack-nonPC.pdb.gz costs 50.576 real_cost = -64.878 T0369.try7-opt2.pdb.gz costs 50.576 real_cost = -64.212 T0369.try7-opt2.gromacs0.repack-nonPC.pdb.gz costs 40.968 real_cost = -69.450 T0369.try7-opt2.gromacs0.pdb.gz costs 40.968 real_cost = -66.995 T0369.try7-opt1.pdb.gz costs 47.469 real_cost = -64.428 T0369.try7-opt1-scwrl.pdb.gz costs 47.469 real_cost = -64.670 T0369.try6-opt2.repack-nonPC.pdb.gz costs 60.217 real_cost = 21.863 T0369.try6-opt2.pdb.gz costs 60.217 real_cost = 22.503 T0369.try6-opt2.gromacs0.repack-nonPC.pdb.gz costs 50.829 real_cost = 28.730 T0369.try6-opt2.gromacs0.pdb.gz costs 50.829 real_cost = 27.402 T0369.try6-opt1.pdb.gz costs 56.333 real_cost = 21.009 T0369.try6-opt1-scwrl.pdb.gz costs 56.333 real_cost = 20.478 T0369.try5-opt2.repack-nonPC.pdb.gz costs 61.911 real_cost = 22.284 T0369.try5-opt2.pdb.gz costs 61.911 real_cost = 23.639 T0369.try5-opt2.gromacs0.repack-nonPC.pdb.gz costs 56.495 real_cost = 27.576 T0369.try5-opt2.gromacs0.pdb.gz costs 56.495 real_cost = 25.506 T0369.try5-opt1.pdb.gz costs 65.350 real_cost = 20.569 T0369.try5-opt1-scwrl.pdb.gz costs 65.350 real_cost = 23.482 T0369.try4-opt2.repack-nonPC.pdb.gz costs 50.392 real_cost = 18.759 T0369.try4-opt2.pdb.gz costs 50.392 real_cost = 14.449 T0369.try4-opt2.gromacs0.repack-nonPC.pdb.gz costs 41.561 real_cost = 15.824 T0369.try4-opt2.gromacs0.pdb.gz costs 41.561 real_cost = 14.415 T0369.try4-opt1.pdb.gz costs 49.192 real_cost = 13.314 T0369.try4-opt1-scwrl.pdb.gz costs 49.192 real_cost = 14.754 T0369.try20-opt2.repack-nonPC.pdb.gz costs 45.697 real_cost = -71.745 T0369.try20-opt2.pdb.gz costs 45.697 real_cost = -68.768 T0369.try20-opt2.gromacs0.repack-nonPC.pdb.gz costs 38.945 real_cost = -69.883 T0369.try20-opt2.gromacs0.pdb.gz costs 38.945 real_cost = -68.922 T0369.try20-opt1.pdb.gz costs 44.842 real_cost = -69.125 T0369.try20-opt1-scwrl.pdb.gz costs 44.842 real_cost = -71.105 T0369.try2-opt2.repack-nonPC.pdb.gz costs 51.316 real_cost = 14.293 T0369.try2-opt2.pdb.gz costs 51.316 real_cost = 14.280 T0369.try2-opt2.gromacs0.repack-nonPC.pdb.gz costs 41.311 real_cost = 16.514 T0369.try2-opt2.gromacs0.pdb.gz costs 41.311 real_cost = 14.385 T0369.try2-opt1.pdb.gz costs 49.561 real_cost = 14.659 T0369.try2-opt1-scwrl.pdb.gz costs 49.561 real_cost = 15.013 T0369.try19-opt2.repack-nonPC.pdb.gz costs 45.824 real_cost = -70.213 T0369.try19-opt2.pdb.gz costs 45.824 real_cost = -74.009 T0369.try19-opt2.gromacs0.repack-nonPC.pdb.gz costs 41.026 real_cost = -74.609 T0369.try19-opt2.gromacs0.pdb.gz costs 41.026 real_cost = -73.428 T0369.try19-opt1.pdb.gz costs 45.852 real_cost = -74.933 T0369.try19-opt1-scwrl.pdb.gz costs 45.852 real_cost = -72.182 T0369.try18-opt2.repack-nonPC.pdb.gz costs 45.901 real_cost = -69.346 T0369.try18-opt2.pdb.gz costs 45.901 real_cost = -72.280 T0369.try18-opt2.gromacs0.repack-nonPC.pdb.gz costs 41.084 real_cost = -71.264 T0369.try18-opt2.gromacs0.pdb.gz costs 41.084 real_cost = -71.689 T0369.try18-opt1.pdb.gz costs 45.852 real_cost = -75.632 T0369.try18-opt1-scwrl.pdb.gz costs 45.852 real_cost = -71.873 T0369.try17-opt2.repack-nonPC.pdb.gz costs 47.524 real_cost = -67.501 T0369.try17-opt2.pdb.gz costs 47.524 real_cost = -67.205 T0369.try17-opt2.gromacs0.repack-nonPC.pdb.gz costs 39.553 real_cost = -65.963 T0369.try17-opt2.gromacs0.pdb.gz costs 39.553 real_cost = -66.265 T0369.try17-opt1.pdb.gz costs 48.868 real_cost = -68.919 T0369.try17-opt1-scwrl.pdb.gz costs 48.868 real_cost = -71.197 T0369.try16-opt2.repack-nonPC.pdb.gz costs 50.326 real_cost = -67.346 T0369.try16-opt2.pdb.gz costs 50.326 real_cost = -66.449 T0369.try16-opt2.gromacs0.repack-nonPC.pdb.gz costs 39.836 real_cost = -70.948 T0369.try16-opt2.gromacs0.pdb.gz costs 39.836 real_cost = -66.451 T0369.try16-opt1.pdb.gz costs 50.326 real_cost = -67.801 T0369.try16-opt1-scwrl.pdb.gz costs 50.326 real_cost = -68.616 T0369.try15-opt2.repack-nonPC.pdb.gz costs 49.494 real_cost = -85.451 T0369.try15-opt2.pdb.gz costs 49.494 real_cost = -85.173 T0369.try15-opt2.gromacs0.repack-nonPC.pdb.gz costs 42.130 real_cost = -87.861 T0369.try15-opt2.gromacs0.pdb.gz costs 42.130 real_cost = -86.070 T0369.try15-opt1.pdb.gz costs 49.534 real_cost = -83.320 T0369.try15-opt1-scwrl.pdb.gz costs 49.534 real_cost = -87.982 T0369.try14-opt2.repack-nonPC.pdb.gz costs 50.161 real_cost = -66.739 T0369.try14-opt2.pdb.gz costs 50.161 real_cost = -67.775 T0369.try14-opt2.gromacs0.repack-nonPC.pdb.gz costs 40.408 real_cost = -69.635 T0369.try14-opt2.gromacs0.pdb.gz costs 40.408 real_cost = -67.920 T0369.try14-opt1.pdb.gz costs 50.501 real_cost = -67.693 T0369.try14-opt1-scwrl.pdb.gz costs 50.501 real_cost = -69.139 T0369.try13-opt2.repack-nonPC.pdb.gz costs 49.877 real_cost = -67.612 T0369.try13-opt2.pdb.gz costs 49.877 real_cost = -67.737 T0369.try13-opt2.gromacs0.repack-nonPC.pdb.gz costs 40.170 real_cost = -69.622 T0369.try13-opt2.gromacs0.pdb.gz costs 40.170 real_cost = -69.643 T0369.try13-opt1.pdb.gz costs 48.646 real_cost = -67.274 T0369.try13-opt1-scwrl.pdb.gz costs 48.646 real_cost = -67.470 T0369.try12-opt2.repack-nonPC.pdb.gz costs 53.448 real_cost = -86.502 T0369.try12-opt2.pdb.gz costs 53.448 real_cost = -89.250 T0369.try12-opt2.gromacs0.repack-nonPC.pdb.gz costs 43.767 real_cost = -88.865 T0369.try12-opt2.gromacs0.pdb.gz costs 43.767 real_cost = -88.587 T0369.try12-opt1.pdb.gz costs 48.930 real_cost = -84.154 T0369.try12-opt1-scwrl.pdb.gz costs 48.930 real_cost = -84.169 T0369.try11-opt2.repack-nonPC.pdb.gz costs 45.852 real_cost = -70.228 T0369.try11-opt2.pdb.gz costs 45.852 real_cost = -75.373 T0369.try11-opt2.gromacs0.repack-nonPC.pdb.gz costs 41.604 real_cost = -69.008 T0369.try11-opt2.gromacs0.pdb.gz costs 41.604 real_cost = -73.169 T0369.try11-opt1.pdb.gz costs 44.369 real_cost = -70.025 T0369.try11-opt1-scwrl.pdb.gz costs 44.369 real_cost = -68.218 T0369.try10-opt2.repack-nonPC.pdb.gz costs 58.040 real_cost = -63.516 T0369.try10-opt2.pdb.gz costs 58.040 real_cost = -64.632 T0369.try10-opt2.gromacs0.repack-nonPC.pdb.gz costs 42.443 real_cost = -64.324 T0369.try10-opt2.gromacs0.pdb.gz costs 42.443 real_cost = -63.601 T0369.try10-opt1.pdb.gz costs 49.261 real_cost = -61.931 T0369.try10-opt1-scwrl.pdb.gz costs 49.261 real_cost = -62.334 T0369.try1-opt2.repack-nonPC.pdb.gz costs 48.346 real_cost = 15.714 T0369.try1-opt2.pdb.gz costs 48.346 real_cost = 15.498 T0369.try1-opt2.gromacs0.repack-nonPC.pdb.gz costs 41.483 real_cost = 18.017 T0369.try1-opt2.gromacs0.pdb.gz costs 41.483 real_cost = 17.682 T0369.try1-opt1.pdb.gz costs 46.536 real_cost = 14.922 T0369.try1-opt1-scwrl.pdb.gz costs 46.536 real_cost = 14.808 ../model5.ts-submitted costs 51.316 real_cost = 14.269 ../model4.ts-submitted costs 49.494 real_cost = -85.169 ../model3.ts-submitted costs 50.326 real_cost = -66.457 ../model2.ts-submitted costs 41.026 real_cost = -74.544 ../model1.ts-submitted costs 45.697 real_cost = -68.742 align5 costs 81.143 real_cost = 308.655 align4 costs 68.354 real_cost = 219.748 align3 costs 90.336 real_cost = 289.564 align2 costs 45.053 real_cost = -13.075 align1 costs 66.115 real_cost = 19.401 T0369.try1-opt2.pdb costs 48.346 real_cost = 15.498 model5-scwrl costs 51.316 real_cost = 13.800 model5.ts-submitted costs 51.316 real_cost = 14.269 model4-scwrl costs 49.494 real_cost = -86.776 model4.ts-submitted costs 49.494 real_cost = -85.169 model3-scwrl costs 50.326 real_cost = -68.873 model3.ts-submitted costs 50.326 real_cost = -66.457 model2-scwrl costs 41.026 real_cost = -76.109 model2.ts-submitted costs 41.026 real_cost = -74.544 model1-scwrl costs 45.697 real_cost = -71.656 model1.ts-submitted costs 45.697 real_cost = -68.742 2hkvA costs 31.042 real_cost = -888.653 # command:CPU_time= 761.565 sec, elapsed time= 2596.526 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/T0369'