make[1]: Entering directory `/projects/compbio/experiments/protein-predict/casp7/T0367' /projects/compbio/experiments/protein-predict/casp7/starter-directory/Make.main:725: SECONDARY_TARGET = T0367.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/T0367.} ;\ 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/T0367/ -e s/START_COL/1/ \ -e s/COSTFCN/anglevector/ \ -e s/_domain// \ -e s/read-pdb/read-pdb+servers/ \ -e s/REAL_PDB/2hsbA/ \ < /projects/compbio/experiments/protein-predict/casp7/starter-directory/evaluate.under \ | nice -2 /cse/grads/jarchie/projects/cvs/karplus/undertaker/undertaker # command:# Seed set to 1183537459 # 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= 9.296 sec, elapsed time= 19.249 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= 9.414 sec, elapsed time= 19.470 sec. # command:# Prefix for input files set to # command:# Making conformation for sequence T0367 numbered 1 through 125 Created new target T0367 from T0367.a2m # command:# command:# No conformations to remove in PopConform # command:# cleared Id set # command:# command:2hsbA expands to /projects/compbio/data/pdb/2hsb.pdb.gz 2hsbA: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 203, because occupancy 0.5 <= existing 0.500 in 2hsbA 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 207, because occupancy 0.500 <= existing 0.500 in 2hsbA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 209, because occupancy 0.500 <= existing 0.500 in 2hsbA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 211, because occupancy 0.380 <= existing 0.380 in 2hsbA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 213, because occupancy 0.500 <= existing 0.500 in 2hsbA 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 828, because occupancy 0.500 <= existing 0.500 in 2hsbA Skipped atom 832, because occupancy 0.500 <= existing 0.500 in 2hsbA Skipped atom 834, because occupancy 0.500 <= existing 0.500 in 2hsbA Skipped atom 836, because occupancy 0.500 <= existing 0.500 in 2hsbA Skipped atom 838, because occupancy 0.500 <= existing 0.500 in 2hsbA Read 126 residues and 1020 atoms. # choosing archetypes in rotamer library # WARNING: incomplete conformation T0367 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= 16.649 sec, elapsed time= 34.677 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 122 # 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 = -77.600 # GDT_score(maxd=8.000,maxw=2.900)= -81.787 # GDT_score(maxd=8.000,maxw=3.200)= -77.934 # GDT_score(maxd=8.000,maxw=3.500)= -74.033 # GDT_score(maxd=10.000,maxw=3.800)= -76.484 # GDT_score(maxd=10.000,maxw=4.000)= -74.001 # GDT_score(maxd=10.000,maxw=4.200)= -71.618 # GDT_score(maxd=12.000,maxw=4.300)= -75.169 # GDT_score(maxd=12.000,maxw=4.500)= -72.870 # GDT_score(maxd=12.000,maxw=4.700)= -70.620 # GDT_score(maxd=14.000,maxw=5.200)= -69.117 # GDT_score(maxd=14.000,maxw=5.500)= -66.181 # command:# Prefix for output files set to # command:Warning: Couldn't open file T0367.model1-real.pdb for output Error: Couldn't open file T0367.model1-real.pdb for output superimposing iter= 0 total_weight= 1515.000 rmsd (weighted)= 3.441 (unweighted)= 4.895 superimposing iter= 1 total_weight= 3994.387 rmsd (weighted)= 1.567 (unweighted)= 4.922 superimposing iter= 2 total_weight= 1595.821 rmsd (weighted)= 1.229 (unweighted)= 4.951 superimposing iter= 3 total_weight= 1136.602 rmsd (weighted)= 1.152 (unweighted)= 4.971 superimposing iter= 4 total_weight= 1055.829 rmsd (weighted)= 1.123 (unweighted)= 4.986 superimposing iter= 5 total_weight= 1033.600 rmsd (weighted)= 1.106 (unweighted)= 4.996 EXPDTA model1.ts-submitted MODEL 1 REMARK 44 REMARK 44 model 1 is called model1.ts-submitted ATOM 1 N MET A 1 54.719 20.479 26.858 1.00 0.00 ATOM 2 CA MET A 1 55.540 20.691 28.083 1.00 0.00 ATOM 3 CB MET A 1 55.852 22.178 28.263 1.00 0.00 ATOM 4 CG MET A 1 57.007 22.568 27.402 1.00 0.00 ATOM 5 SD MET A 1 57.197 24.398 27.476 1.00 0.00 ATOM 6 CE MET A 1 57.762 24.486 29.201 1.00 0.00 ATOM 7 O MET A 1 53.545 20.275 29.403 1.00 0.00 ATOM 8 C MET A 1 54.790 20.192 29.353 1.00 0.00 ATOM 9 N ASP A 2 55.558 19.696 30.344 1.00 0.00 ATOM 10 CA ASP A 2 54.964 19.270 31.626 1.00 0.00 ATOM 11 CB ASP A 2 56.031 18.831 32.565 1.00 0.00 ATOM 12 CG ASP A 2 56.693 17.544 32.080 1.00 0.00 ATOM 13 OD1 ASP A 2 56.086 16.850 31.232 1.00 0.00 ATOM 14 OD2 ASP A 2 57.749 17.155 32.620 1.00 0.00 ATOM 15 O ASP A 2 53.039 20.144 32.789 1.00 0.00 ATOM 16 C ASP A 2 54.167 20.372 32.299 1.00 0.00 ATOM 17 N GLU A 3 54.717 21.565 32.316 1.00 0.00 ATOM 18 CA GLU A 3 54.020 22.686 32.942 1.00 0.00 ATOM 19 CB GLU A 3 54.998 23.855 33.024 1.00 0.00 ATOM 20 CG GLU A 3 56.158 23.626 33.999 1.00 0.00 ATOM 21 CD GLU A 3 57.314 22.822 33.413 1.00 0.00 ATOM 22 OE1 GLU A 3 57.232 22.363 32.252 1.00 0.00 ATOM 23 OE2 GLU A 3 58.329 22.657 34.128 1.00 0.00 ATOM 24 O GLU A 3 51.776 23.535 32.778 1.00 0.00 ATOM 25 C GLU A 3 52.753 23.085 32.175 1.00 0.00 ATOM 26 N LEU A 4 52.778 22.917 30.856 1.00 0.00 ATOM 27 CA LEU A 4 51.605 23.187 30.016 1.00 0.00 ATOM 28 CB LEU A 4 51.934 23.082 28.519 1.00 0.00 ATOM 29 CG LEU A 4 52.775 24.230 27.934 1.00 0.00 ATOM 30 CD1 LEU A 4 53.462 23.799 26.656 1.00 0.00 ATOM 31 CD2 LEU A 4 51.928 25.476 27.684 1.00 0.00 ATOM 32 O LEU A 4 49.289 22.656 30.386 1.00 0.00 ATOM 33 C LEU A 4 50.446 22.241 30.368 1.00 0.00 ATOM 34 N GLU A 5 50.773 20.954 30.669 1.00 0.00 ATOM 35 CA GLU A 5 49.764 19.971 31.030 1.00 0.00 ATOM 36 CB GLU A 5 50.405 18.577 31.125 1.00 0.00 ATOM 37 CG GLU A 5 49.463 17.450 31.538 1.00 0.00 ATOM 38 CD GLU A 5 50.210 16.178 31.902 1.00 0.00 ATOM 39 OE1 GLU A 5 50.032 15.683 33.039 1.00 0.00 ATOM 40 OE2 GLU A 5 50.993 15.676 31.061 1.00 0.00 ATOM 41 O GLU A 5 47.829 20.152 32.446 1.00 0.00 ATOM 42 C GLU A 5 49.052 20.300 32.340 1.00 0.00 ATOM 43 N LEU A 6 49.819 20.726 33.340 1.00 0.00 ATOM 44 CA LEU A 6 49.250 21.093 34.641 1.00 0.00 ATOM 45 CB LEU A 6 50.318 21.409 35.663 1.00 0.00 ATOM 46 CG LEU A 6 51.198 20.244 36.118 1.00 0.00 ATOM 47 CD1 LEU A 6 52.061 20.731 37.302 1.00 0.00 ATOM 48 CD2 LEU A 6 50.341 19.042 36.534 1.00 0.00 ATOM 49 O LEU A 6 47.204 22.346 34.977 1.00 0.00 ATOM 50 C LEU A 6 48.327 22.301 34.452 1.00 0.00 ATOM 51 N ARG A 7 48.768 23.269 33.679 1.00 0.00 ATOM 52 CA ARG A 7 47.957 24.459 33.432 1.00 0.00 ATOM 53 CB ARG A 7 48.772 25.518 32.691 1.00 0.00 ATOM 54 CG ARG A 7 49.942 26.015 33.544 1.00 0.00 ATOM 55 CD ARG A 7 50.578 27.283 33.000 1.00 0.00 ATOM 56 NE ARG A 7 51.249 27.063 31.720 1.00 0.00 ATOM 57 CZ ARG A 7 52.493 26.604 31.581 1.00 0.00 ATOM 58 NH1 ARG A 7 53.226 26.302 32.649 1.00 0.00 ATOM 59 NH2 ARG A 7 53.018 26.483 30.364 1.00 0.00 ATOM 60 O ARG A 7 45.640 24.650 32.846 1.00 0.00 ATOM 61 C ARG A 7 46.715 24.092 32.631 1.00 0.00 ATOM 62 N ILE A 8 46.845 23.171 31.658 1.00 0.00 ATOM 63 CA ILE A 8 45.713 22.737 30.846 1.00 0.00 ATOM 64 CB ILE A 8 46.148 21.731 29.743 1.00 0.00 ATOM 65 CG1 ILE A 8 47.043 22.438 28.721 1.00 0.00 ATOM 66 CG2 ILE A 8 44.922 21.150 29.051 1.00 0.00 ATOM 67 CD1 ILE A 8 47.665 21.512 27.670 1.00 0.00 ATOM 68 O ILE A 8 43.448 22.258 31.508 1.00 0.00 ATOM 69 C ILE A 8 44.649 22.074 31.719 1.00 0.00 ATOM 70 N ARG A 9 45.101 21.317 32.736 1.00 0.00 ATOM 71 CA ARG A 9 44.196 20.636 33.653 1.00 0.00 ATOM 72 CB ARG A 9 44.971 19.693 34.577 1.00 0.00 ATOM 73 CG ARG A 9 45.414 18.417 33.862 1.00 0.00 ATOM 74 CD ARG A 9 46.347 17.610 34.760 1.00 0.00 ATOM 75 NE ARG A 9 46.891 16.470 34.036 1.00 0.00 ATOM 76 CZ ARG A 9 46.288 15.294 33.906 1.00 0.00 ATOM 77 NH1 ARG A 9 45.111 15.081 34.475 1.00 0.00 ATOM 78 NH2 ARG A 9 46.887 14.326 33.221 1.00 0.00 ATOM 79 O ARG A 9 42.196 21.499 34.660 1.00 0.00 ATOM 80 C ARG A 9 43.398 21.660 34.459 1.00 0.00 ATOM 81 N LYS A 10 44.054 22.750 34.895 1.00 0.00 ATOM 82 CA LYS A 10 43.360 23.770 35.672 1.00 0.00 ATOM 83 CB LYS A 10 44.368 24.792 36.222 1.00 0.00 ATOM 84 CG LYS A 10 45.306 24.212 37.257 1.00 0.00 ATOM 85 CD LYS A 10 46.173 25.274 37.910 1.00 0.00 ATOM 86 CE LYS A 10 47.057 24.648 38.977 1.00 0.00 ATOM 87 NZ LYS A 10 47.911 25.650 39.673 1.00 0.00 ATOM 88 O LYS A 10 41.264 24.877 35.345 1.00 0.00 ATOM 89 C LYS A 10 42.323 24.515 34.838 1.00 0.00 ATOM 90 N ALA A 11 42.657 24.773 33.569 1.00 0.00 ATOM 91 CA ALA A 11 41.698 25.428 32.656 1.00 0.00 ATOM 92 CB ALA A 11 42.317 25.616 31.281 1.00 0.00 ATOM 93 O ALA A 11 39.313 25.084 32.559 1.00 0.00 ATOM 94 C ALA A 11 40.451 24.567 32.522 1.00 0.00 ATOM 95 N GLU A 12 40.661 23.248 32.308 1.00 0.00 ATOM 96 CA GLU A 12 39.507 22.312 32.184 1.00 0.00 ATOM 97 CB GLU A 12 39.952 20.868 31.990 1.00 0.00 ATOM 98 CG GLU A 12 40.464 20.652 30.578 1.00 0.00 ATOM 99 CD GLU A 12 40.421 19.176 30.185 1.00 0.00 ATOM 100 OE1 GLU A 12 40.047 18.292 30.997 1.00 0.00 ATOM 101 OE2 GLU A 12 40.957 18.965 29.066 1.00 0.00 ATOM 102 O GLU A 12 37.484 22.296 33.462 1.00 0.00 ATOM 103 C GLU A 12 38.716 22.309 33.494 1.00 0.00 ATOM 104 N LYS A 13 39.411 22.313 34.642 1.00 0.00 ATOM 105 CA LYS A 13 38.725 22.341 35.932 1.00 0.00 ATOM 106 CB LYS A 13 39.717 22.286 37.094 1.00 0.00 ATOM 107 CG LYS A 13 40.403 20.939 37.261 1.00 0.00 ATOM 108 CD LYS A 13 41.372 20.953 38.433 1.00 0.00 ATOM 109 CE LYS A 13 42.075 19.615 38.583 1.00 0.00 ATOM 110 NZ LYS A 13 43.051 19.623 39.706 1.00 0.00 ATOM 111 O LYS A 13 36.792 23.599 36.571 1.00 0.00 ATOM 112 C LYS A 13 37.941 23.632 36.088 1.00 0.00 ATOM 113 N LEU A 14 38.486 24.770 35.671 1.00 0.00 ATOM 114 CA LEU A 14 37.783 26.041 35.746 1.00 0.00 ATOM 115 CB LEU A 14 38.586 27.185 35.275 1.00 0.00 ATOM 116 CG LEU A 14 39.786 27.474 36.181 1.00 0.00 ATOM 117 CD1 LEU A 14 40.765 28.447 35.501 1.00 0.00 ATOM 118 CD2 LEU A 14 39.283 28.037 37.483 1.00 0.00 ATOM 119 O LEU A 14 35.464 26.473 35.296 1.00 0.00 ATOM 120 C LEU A 14 36.524 25.983 34.885 1.00 0.00 ATOM 121 N VAL A 15 36.640 25.414 33.657 1.00 0.00 ATOM 122 CA VAL A 15 35.492 25.283 32.749 1.00 0.00 ATOM 123 CB VAL A 15 35.974 24.941 31.333 1.00 0.00 ATOM 124 CG1 VAL A 15 34.775 24.767 30.422 1.00 0.00 ATOM 125 CG2 VAL A 15 36.897 26.028 30.815 1.00 0.00 ATOM 126 O VAL A 15 33.258 24.621 33.302 1.00 0.00 ATOM 127 C VAL A 15 34.439 24.348 33.386 1.00 0.00 ATOM 128 N GLN A 16 34.837 23.267 34.051 1.00 0.00 ATOM 129 CA GLN A 16 33.868 22.423 34.735 1.00 0.00 ATOM 130 CB GLN A 16 34.569 21.187 35.295 1.00 0.00 ATOM 131 CG GLN A 16 35.221 20.358 34.196 1.00 0.00 ATOM 132 CD GLN A 16 36.091 19.242 34.731 1.00 0.00 ATOM 133 OE1 GLN A 16 36.861 19.438 35.671 1.00 0.00 ATOM 134 NE2 GLN A 16 35.986 18.066 34.120 1.00 0.00 ATOM 135 O GLN A 16 31.920 23.101 35.949 1.00 0.00 ATOM 136 C GLN A 16 33.143 23.193 35.832 1.00 0.00 ATOM 137 N ASP A 17 33.868 24.036 36.561 1.00 0.00 ATOM 138 CA ASP A 17 33.240 24.822 37.618 1.00 0.00 ATOM 139 CB ASP A 17 34.290 25.576 38.439 1.00 0.00 ATOM 140 CG ASP A 17 35.093 24.663 39.339 1.00 0.00 ATOM 141 OD1 ASP A 17 34.549 23.622 39.768 1.00 0.00 ATOM 142 OD2 ASP A 17 36.262 24.995 39.634 1.00 0.00 ATOM 143 O ASP A 17 31.134 25.966 37.553 1.00 0.00 ATOM 144 C ASP A 17 32.244 25.827 37.049 1.00 0.00 ATOM 145 N ALA A 18 32.638 26.541 36.001 1.00 0.00 ATOM 146 CA ALA A 18 31.775 27.529 35.365 1.00 0.00 ATOM 147 CB ALA A 18 32.432 28.148 34.196 1.00 0.00 ATOM 148 O ALA A 18 29.495 27.509 34.794 1.00 0.00 ATOM 149 C ALA A 18 30.554 26.887 34.697 1.00 0.00 ATOM 150 N LYS A 19 30.775 25.730 34.066 1.00 0.00 ATOM 151 CA LYS A 19 29.556 25.034 33.507 1.00 0.00 ATOM 152 CB LYS A 19 29.923 23.709 32.856 1.00 0.00 ATOM 153 CG LYS A 19 30.545 23.832 31.480 1.00 0.00 ATOM 154 CD LYS A 19 31.111 22.478 30.977 1.00 0.00 ATOM 155 CE LYS A 19 31.902 22.755 29.689 1.00 0.00 ATOM 156 NZ LYS A 19 32.580 21.481 29.259 1.00 0.00 ATOM 157 O LYS A 19 27.356 24.870 34.359 1.00 0.00 ATOM 158 C LYS A 19 28.549 24.724 34.618 1.00 0.00 ATOM 159 N LYS A 20 29.063 24.278 35.745 1.00 0.00 ATOM 160 CA LYS A 20 28.161 23.998 36.887 1.00 0.00 ATOM 161 CB LYS A 20 28.879 23.449 38.079 1.00 0.00 ATOM 162 CG LYS A 20 29.327 22.016 37.862 1.00 0.00 ATOM 163 CD LYS A 20 30.157 21.492 39.002 1.00 0.00 ATOM 164 CE LYS A 20 30.522 20.059 38.826 1.00 0.00 ATOM 165 NZ LYS A 20 31.500 19.678 39.902 1.00 0.00 ATOM 166 O LYS A 20 26.221 25.240 37.630 1.00 0.00 ATOM 167 C LYS A 20 27.447 25.241 37.383 1.00 0.00 ATOM 168 N GLU A 21 28.132 26.362 37.563 1.00 0.00 ATOM 169 CA GLU A 21 27.491 27.614 37.947 1.00 0.00 ATOM 170 CB GLU A 21 28.548 28.715 38.045 1.00 0.00 ATOM 171 CG GLU A 21 29.504 28.555 39.218 1.00 0.00 ATOM 172 CD GLU A 21 30.609 29.591 39.214 1.00 0.00 ATOM 173 OE1 GLU A 21 30.672 30.390 38.255 1.00 0.00 ATOM 174 OE2 GLU A 21 31.413 29.606 40.170 1.00 0.00 ATOM 175 O GLU A 21 25.375 28.484 37.233 1.00 0.00 ATOM 176 C GLU A 21 26.454 28.013 36.899 1.00 0.00 ATOM 177 N PHE A 22 26.783 27.832 35.595 1.00 0.00 ATOM 178 CA PHE A 22 25.858 28.186 34.525 1.00 0.00 ATOM 179 CB PHE A 22 26.513 27.985 33.158 1.00 0.00 ATOM 180 CG PHE A 22 25.604 28.287 32.000 1.00 0.00 ATOM 181 CD1 PHE A 22 25.372 29.593 31.605 1.00 0.00 ATOM 182 CD2 PHE A 22 24.980 27.265 31.307 1.00 0.00 ATOM 183 CE1 PHE A 22 24.536 29.870 30.540 1.00 0.00 ATOM 184 CE2 PHE A 22 24.143 27.542 30.243 1.00 0.00 ATOM 185 CZ PHE A 22 23.920 28.840 29.857 1.00 0.00 ATOM 186 O PHE A 22 23.484 27.851 34.513 1.00 0.00 ATOM 187 C PHE A 22 24.604 27.332 34.613 1.00 0.00 ATOM 188 N GLU A 23 24.768 26.037 34.762 1.00 0.00 ATOM 189 CA GLU A 23 23.628 25.147 34.820 1.00 0.00 ATOM 190 CB GLU A 23 24.044 23.678 34.897 1.00 0.00 ATOM 191 CG GLU A 23 24.689 23.148 33.626 1.00 0.00 ATOM 192 CD GLU A 23 25.155 21.712 33.766 1.00 0.00 ATOM 193 OE1 GLU A 23 25.010 21.144 34.868 1.00 0.00 ATOM 194 OE2 GLU A 23 25.664 21.153 32.772 1.00 0.00 ATOM 195 O GLU A 23 21.550 25.181 35.943 1.00 0.00 ATOM 196 C GLU A 23 22.758 25.456 36.012 1.00 0.00 ATOM 197 N MET A 24 23.305 26.039 37.051 1.00 0.00 ATOM 198 CA MET A 24 22.520 26.353 38.263 1.00 0.00 ATOM 199 CB MET A 24 23.708 25.945 39.420 1.00 0.00 ATOM 200 CG MET A 24 23.387 25.432 40.752 1.00 0.00 ATOM 201 SD MET A 24 24.918 25.607 41.959 1.00 0.00 ATOM 202 CE MET A 24 26.088 24.783 41.071 1.00 0.00 ATOM 203 O MET A 24 21.358 28.188 39.188 1.00 0.00 ATOM 204 C MET A 24 21.943 27.748 38.169 1.00 0.00 ATOM 205 N GLY A 25 22.162 28.510 37.126 1.00 0.00 ATOM 206 CA GLY A 25 21.559 29.794 36.840 1.00 0.00 ATOM 207 O GLY A 25 21.783 32.122 37.300 1.00 0.00 ATOM 208 C GLY A 25 22.328 31.006 37.327 1.00 0.00 ATOM 209 N LEU A 26 23.609 30.872 37.618 1.00 0.00 ATOM 210 CA LEU A 26 24.417 32.076 38.038 1.00 0.00 ATOM 211 CB LEU A 26 25.187 31.732 39.350 1.00 0.00 ATOM 212 CG LEU A 26 24.494 30.959 40.469 1.00 0.00 ATOM 213 CD1 LEU A 26 25.514 30.669 41.571 1.00 0.00 ATOM 214 CD2 LEU A 26 23.330 31.754 41.025 1.00 0.00 ATOM 215 O LEU A 26 26.327 32.270 36.584 1.00 0.00 ATOM 216 C LEU A 26 25.155 32.549 36.777 1.00 0.00 ATOM 217 N TYR A 27 24.403 33.265 35.909 1.00 0.00 ATOM 218 CA TYR A 27 24.890 33.694 34.599 1.00 0.00 ATOM 219 CB TYR A 27 23.649 34.855 34.234 1.00 0.00 ATOM 220 CG TYR A 27 22.296 34.526 34.787 1.00 0.00 ATOM 221 CD1 TYR A 27 21.948 34.950 36.053 1.00 0.00 ATOM 222 CD2 TYR A 27 21.363 33.834 34.037 1.00 0.00 ATOM 223 CE1 TYR A 27 20.671 34.652 36.549 1.00 0.00 ATOM 224 CE2 TYR A 27 20.118 33.532 34.529 1.00 0.00 ATOM 225 CZ TYR A 27 19.768 33.940 35.787 1.00 0.00 ATOM 226 OH TYR A 27 18.549 33.669 36.385 1.00 0.00 ATOM 227 O TYR A 27 27.019 34.440 33.869 1.00 0.00 ATOM 228 C TYR A 27 26.067 34.656 34.603 1.00 0.00 ATOM 229 N GLU A 28 25.984 35.693 35.413 1.00 0.00 ATOM 230 CA GLU A 28 27.055 36.638 35.511 1.00 0.00 ATOM 231 CB GLU A 28 26.746 37.781 36.480 1.00 0.00 ATOM 232 CG GLU A 28 25.533 38.564 36.046 1.00 0.00 ATOM 233 CD GLU A 28 25.874 39.860 35.329 1.00 0.00 ATOM 234 OE1 GLU A 28 25.074 40.818 35.455 1.00 0.00 ATOM 235 OE2 GLU A 28 26.935 39.877 34.660 1.00 0.00 ATOM 236 O GLU A 28 29.427 36.134 35.441 1.00 0.00 ATOM 237 C GLU A 28 28.346 35.923 35.991 1.00 0.00 ATOM 238 N ARG A 29 28.215 35.089 37.000 1.00 0.00 ATOM 239 CA ARG A 29 29.346 34.301 37.492 1.00 0.00 ATOM 240 CB ARG A 29 28.981 33.440 38.703 1.00 0.00 ATOM 241 CG ARG A 29 28.712 34.234 39.969 1.00 0.00 ATOM 242 CD ARG A 29 28.285 33.327 41.111 1.00 0.00 ATOM 243 NE ARG A 29 27.994 34.076 42.330 1.00 0.00 ATOM 244 CZ ARG A 29 27.534 33.533 43.450 1.00 0.00 ATOM 245 NH1 ARG A 29 27.298 34.296 44.511 1.00 0.00 ATOM 246 NH2 ARG A 29 27.307 32.227 43.511 1.00 0.00 ATOM 247 O ARG A 29 31.092 33.243 36.269 1.00 0.00 ATOM 248 C ARG A 29 29.880 33.400 36.394 1.00 0.00 ATOM 249 N CYS A 30 28.977 32.787 35.590 1.00 0.00 ATOM 250 CA CYS A 30 29.418 31.939 34.489 1.00 0.00 ATOM 251 CB CYS A 30 28.214 31.335 33.763 1.00 0.00 ATOM 252 SG CYS A 30 28.643 30.172 32.447 1.00 0.00 ATOM 253 O CYS A 30 31.264 32.310 32.949 1.00 0.00 ATOM 254 C CYS A 30 30.244 32.772 33.487 1.00 0.00 ATOM 255 N CYS A 31 29.814 33.990 33.219 1.00 0.00 ATOM 256 CA CYS A 31 30.520 34.844 32.297 1.00 0.00 ATOM 257 CB CYS A 31 29.743 36.140 32.064 1.00 0.00 ATOM 258 SG CYS A 31 28.207 35.933 31.129 1.00 0.00 ATOM 259 O CYS A 31 32.917 35.165 32.131 1.00 0.00 ATOM 260 C CYS A 31 31.917 35.190 32.855 1.00 0.00 ATOM 261 N SER A 32 31.903 35.558 34.099 1.00 0.00 ATOM 262 CA SER A 32 33.182 35.879 34.744 1.00 0.00 ATOM 263 CB SER A 32 32.961 36.259 36.211 1.00 0.00 ATOM 264 OG SER A 32 34.190 36.561 36.849 1.00 0.00 ATOM 265 O SER A 32 35.325 34.775 34.366 1.00 0.00 ATOM 266 C SER A 32 34.129 34.657 34.681 1.00 0.00 ATOM 267 N THR A 33 33.600 33.482 35.005 1.00 0.00 ATOM 268 CA THR A 33 34.402 32.276 34.987 1.00 0.00 ATOM 269 CB THR A 33 33.636 31.083 35.547 1.00 0.00 ATOM 270 CG2 THR A 33 34.537 29.847 35.551 1.00 0.00 ATOM 271 OG1 THR A 33 33.233 31.364 36.897 1.00 0.00 ATOM 272 O THR A 33 35.982 31.542 33.414 1.00 0.00 ATOM 273 C THR A 33 34.894 32.005 33.571 1.00 0.00 ATOM 274 N ALA A 34 34.117 32.324 32.534 1.00 0.00 ATOM 275 CA ALA A 34 34.585 32.117 31.171 1.00 0.00 ATOM 276 CB ALA A 34 33.485 32.362 30.168 1.00 0.00 ATOM 277 O ALA A 34 36.758 32.719 30.233 1.00 0.00 ATOM 278 C ALA A 34 35.743 33.079 30.867 1.00 0.00 ATOM 279 N TYR A 35 35.594 34.343 31.255 1.00 0.00 ATOM 280 CA TYR A 35 36.744 35.258 31.018 1.00 0.00 ATOM 281 CB TYR A 35 36.418 36.667 31.520 1.00 0.00 ATOM 282 CG TYR A 35 37.548 37.657 31.345 1.00 0.00 ATOM 283 CD1 TYR A 35 37.805 38.229 30.105 1.00 0.00 ATOM 284 CD2 TYR A 35 38.350 38.017 32.417 1.00 0.00 ATOM 285 CE1 TYR A 35 38.835 39.134 29.935 1.00 0.00 ATOM 286 CE2 TYR A 35 39.386 38.920 32.266 1.00 0.00 ATOM 287 CZ TYR A 35 39.623 39.479 31.011 1.00 0.00 ATOM 288 OH TYR A 35 40.650 40.379 30.845 1.00 0.00 ATOM 289 O TYR A 35 39.131 34.767 31.289 1.00 0.00 ATOM 290 C TYR A 35 37.991 34.677 31.790 1.00 0.00 ATOM 291 N TYR A 36 37.774 34.170 33.008 1.00 0.00 ATOM 292 CA TYR A 36 38.882 33.642 33.801 1.00 0.00 ATOM 293 CB TYR A 36 38.393 33.223 35.188 1.00 0.00 ATOM 294 CG TYR A 36 39.494 32.747 36.107 1.00 0.00 ATOM 295 CD1 TYR A 36 40.372 33.650 36.696 1.00 0.00 ATOM 296 CD2 TYR A 36 39.656 31.395 36.383 1.00 0.00 ATOM 297 CE1 TYR A 36 41.381 33.222 37.538 1.00 0.00 ATOM 298 CE2 TYR A 36 40.659 30.950 37.222 1.00 0.00 ATOM 299 CZ TYR A 36 41.526 31.877 37.800 1.00 0.00 ATOM 300 OH TYR A 36 42.530 31.450 38.637 1.00 0.00 ATOM 301 O TYR A 36 40.778 32.363 33.069 1.00 0.00 ATOM 302 C TYR A 36 39.554 32.487 33.061 1.00 0.00 ATOM 303 N ALA A 37 38.740 31.577 32.482 1.00 0.00 ATOM 304 CA ALA A 37 39.247 30.430 31.737 1.00 0.00 ATOM 305 CB ALA A 37 38.123 29.596 31.138 1.00 0.00 ATOM 306 O ALA A 37 41.261 30.440 30.414 1.00 0.00 ATOM 307 C ALA A 37 40.139 30.920 30.596 1.00 0.00 ATOM 308 N MET A 38 39.662 31.926 29.872 1.00 0.00 ATOM 309 CA MET A 38 40.441 32.472 28.770 1.00 0.00 ATOM 310 CB MET A 38 39.783 33.646 28.118 1.00 0.00 ATOM 311 CG MET A 38 38.435 33.314 27.475 1.00 0.00 ATOM 312 SD MET A 38 37.620 34.793 26.781 1.00 0.00 ATOM 313 CE MET A 38 38.561 35.087 25.276 1.00 0.00 ATOM 314 O MET A 38 42.830 32.905 28.667 1.00 0.00 ATOM 315 C MET A 38 41.747 33.108 29.238 1.00 0.00 ATOM 316 N PHE A 39 41.647 33.862 30.324 1.00 0.00 ATOM 317 CA PHE A 39 42.791 34.546 30.882 1.00 0.00 ATOM 318 CB PHE A 39 42.288 34.851 32.467 1.00 0.00 ATOM 319 CG PHE A 39 43.178 35.693 33.346 1.00 0.00 ATOM 320 CD1 PHE A 39 43.033 37.076 33.387 1.00 0.00 ATOM 321 CD2 PHE A 39 44.159 35.098 34.135 1.00 0.00 ATOM 322 CE1 PHE A 39 43.850 37.856 34.202 1.00 0.00 ATOM 323 CE2 PHE A 39 44.984 35.868 34.956 1.00 0.00 ATOM 324 CZ PHE A 39 44.831 37.248 34.989 1.00 0.00 ATOM 325 O PHE A 39 45.047 33.679 31.024 1.00 0.00 ATOM 326 C PHE A 39 43.859 33.556 31.347 1.00 0.00 ATOM 327 N HIS A 40 43.484 32.546 32.154 1.00 0.00 ATOM 328 CA HIS A 40 44.405 31.535 32.659 1.00 0.00 ATOM 329 CB HIS A 40 43.673 30.553 33.573 1.00 0.00 ATOM 330 CG HIS A 40 44.555 29.493 34.156 1.00 0.00 ATOM 331 CD2 HIS A 40 44.738 28.064 33.946 1.00 0.00 ATOM 332 ND1 HIS A 40 45.484 29.757 35.138 1.00 0.00 ATOM 333 CE1 HIS A 40 46.122 28.615 35.454 1.00 0.00 ATOM 334 NE2 HIS A 40 45.679 27.596 34.744 1.00 0.00 ATOM 335 O HIS A 40 46.242 30.465 31.567 1.00 0.00 ATOM 336 C HIS A 40 45.049 30.746 31.515 1.00 0.00 ATOM 337 N ALA A 41 44.270 30.383 30.472 1.00 0.00 ATOM 338 CA ALA A 41 44.782 29.632 29.318 1.00 0.00 ATOM 339 CB ALA A 41 43.661 29.314 28.339 1.00 0.00 ATOM 340 O ALA A 41 46.954 29.919 28.344 1.00 0.00 ATOM 341 C ALA A 41 45.877 30.439 28.629 1.00 0.00 ATOM 342 N ALA A 42 45.584 31.693 28.341 1.00 0.00 ATOM 343 CA ALA A 42 46.552 32.557 27.675 1.00 0.00 ATOM 344 CB ALA A 42 45.839 33.825 27.276 1.00 0.00 ATOM 345 O ALA A 42 48.860 32.767 28.046 1.00 0.00 ATOM 346 C ALA A 42 47.772 32.763 28.548 1.00 0.00 ATOM 347 N LYS A 43 47.607 32.963 29.858 1.00 0.00 ATOM 348 CA LYS A 43 48.780 33.120 30.723 1.00 0.00 ATOM 349 CB LYS A 43 48.350 33.366 32.171 1.00 0.00 ATOM 350 CG LYS A 43 49.505 33.604 33.130 1.00 0.00 ATOM 351 CD LYS A 43 49.003 33.915 34.530 1.00 0.00 ATOM 352 CE LYS A 43 50.159 34.124 35.496 1.00 0.00 ATOM 353 NZ LYS A 43 49.681 34.417 36.877 1.00 0.00 ATOM 354 O LYS A 43 50.858 31.940 30.552 1.00 0.00 ATOM 355 C LYS A 43 49.635 31.864 30.607 1.00 0.00 ATOM 356 N ALA A 44 48.977 30.688 30.512 1.00 0.00 ATOM 357 CA ALA A 44 49.690 29.424 30.389 1.00 0.00 ATOM 358 CB ALA A 44 48.646 28.263 30.596 1.00 0.00 ATOM 359 O ALA A 44 51.533 28.804 28.989 1.00 0.00 ATOM 360 C ALA A 44 50.416 29.323 29.045 1.00 0.00 ATOM 361 N MET A 45 49.811 29.850 27.962 1.00 0.00 ATOM 362 CA MET A 45 50.471 29.834 26.652 1.00 0.00 ATOM 363 CB MET A 45 49.528 30.358 25.567 1.00 0.00 ATOM 364 CG MET A 45 48.397 29.404 25.218 1.00 0.00 ATOM 365 SD MET A 45 48.990 27.829 24.570 1.00 0.00 ATOM 366 CE MET A 45 49.661 28.340 22.992 1.00 0.00 ATOM 367 O MET A 45 52.735 30.411 26.168 1.00 0.00 ATOM 368 C MET A 45 51.675 30.739 26.709 1.00 0.00 ATOM 369 N LEU A 46 51.587 31.875 27.403 1.00 0.00 ATOM 370 CA LEU A 46 52.725 32.768 27.547 1.00 0.00 ATOM 371 CB LEU A 46 52.397 34.031 28.347 1.00 0.00 ATOM 372 CG LEU A 46 51.507 35.061 27.651 1.00 0.00 ATOM 373 CD1 LEU A 46 51.106 36.165 28.618 1.00 0.00 ATOM 374 CD2 LEU A 46 52.237 35.699 26.479 1.00 0.00 ATOM 375 O LEU A 46 55.048 32.215 27.827 1.00 0.00 ATOM 376 C LEU A 46 53.880 32.067 28.271 1.00 0.00 ATOM 377 N LEU A 47 53.549 31.390 29.373 1.00 0.00 ATOM 378 CA LEU A 47 54.574 30.658 30.133 1.00 0.00 ATOM 379 CB LEU A 47 53.945 29.943 31.330 1.00 0.00 ATOM 380 CG LEU A 47 53.437 30.836 32.463 1.00 0.00 ATOM 381 CD1 LEU A 47 52.679 30.016 33.496 1.00 0.00 ATOM 382 CD2 LEU A 47 54.596 31.529 33.163 1.00 0.00 ATOM 383 O LEU A 47 56.493 29.447 29.297 1.00 0.00 ATOM 384 C LEU A 47 55.279 29.592 29.239 1.00 0.00 ATOM 385 N GLY A 48 54.515 28.880 28.435 1.00 0.00 ATOM 386 CA GLY A 48 55.075 27.859 27.559 1.00 0.00 ATOM 387 O GLY A 48 56.954 27.739 26.083 1.00 0.00 ATOM 388 C GLY A 48 56.063 28.439 26.563 1.00 0.00 ATOM 389 N TYR A 49 55.903 29.726 26.236 1.00 0.00 ATOM 390 CA TYR A 49 56.798 30.402 25.299 1.00 0.00 ATOM 391 CB TYR A 49 55.990 31.158 24.249 1.00 0.00 ATOM 392 CG TYR A 49 55.076 30.259 23.448 1.00 0.00 ATOM 393 CD1 TYR A 49 55.577 29.194 22.726 1.00 0.00 ATOM 394 CD2 TYR A 49 53.703 30.463 23.433 1.00 0.00 ATOM 395 CE1 TYR A 49 54.744 28.378 21.997 1.00 0.00 ATOM 396 CE2 TYR A 49 52.874 29.648 22.710 1.00 0.00 ATOM 397 CZ TYR A 49 53.396 28.609 22.000 1.00 0.00 ATOM 398 OH TYR A 49 52.557 27.772 21.291 1.00 0.00 ATOM 399 O TYR A 49 58.559 32.007 25.432 1.00 0.00 ATOM 400 C TYR A 49 57.818 31.243 26.048 1.00 0.00 ATOM 401 N GLY A 50 57.954 31.055 27.373 1.00 0.00 ATOM 402 CA GLY A 50 58.992 31.719 28.161 1.00 0.00 ATOM 403 O GLY A 50 59.632 33.919 28.847 1.00 0.00 ATOM 404 C GLY A 50 58.696 33.170 28.536 1.00 0.00 ATOM 405 N ARG A 51 57.425 33.573 28.581 1.00 0.00 ATOM 406 CA ARG A 51 57.068 34.934 28.932 1.00 0.00 ATOM 407 CB ARG A 51 56.556 35.827 28.180 1.00 0.00 ATOM 408 CG ARG A 51 55.489 35.485 27.128 1.00 0.00 ATOM 409 CD ARG A 51 55.483 36.532 25.989 1.00 0.00 ATOM 410 NE ARG A 51 56.605 36.338 25.062 1.00 0.00 ATOM 411 CZ ARG A 51 57.125 37.291 24.295 1.00 0.00 ATOM 412 NH1 ARG A 51 56.632 38.519 24.340 1.00 0.00 ATOM 413 NH2 ARG A 51 58.141 37.020 23.478 1.00 0.00 ATOM 414 O ARG A 51 55.785 34.171 30.809 1.00 0.00 ATOM 415 C ARG A 51 56.603 34.980 30.382 1.00 0.00 ATOM 416 N ASP A 52 57.112 35.949 31.131 1.00 0.00 ATOM 417 CA ASP A 52 56.770 36.086 32.536 1.00 0.00 ATOM 418 CB ASP A 52 58.141 36.351 33.325 1.00 0.00 ATOM 419 CG ASP A 52 59.082 35.158 33.265 1.00 0.00 ATOM 420 OD1 ASP A 52 58.606 34.003 33.337 1.00 0.00 ATOM 421 OD2 ASP A 52 60.321 35.284 33.157 1.00 0.00 ATOM 422 O ASP A 52 56.329 38.459 32.606 1.00 0.00 ATOM 423 C ASP A 52 55.924 37.320 32.863 1.00 0.00 ATOM 424 N SER A 53 54.750 37.087 33.441 1.00 0.00 ATOM 425 CA SER A 53 53.873 38.178 33.823 1.00 0.00 ATOM 426 CB SER A 53 52.576 38.113 33.084 1.00 0.00 ATOM 427 OG SER A 53 51.716 39.078 33.579 1.00 0.00 ATOM 428 O SER A 53 53.596 36.932 35.829 1.00 0.00 ATOM 429 C SER A 53 53.630 38.050 35.310 1.00 0.00 ATOM 430 N LYS A 54 53.414 39.244 36.054 1.00 0.00 ATOM 431 CA LYS A 54 53.213 39.239 37.501 1.00 0.00 ATOM 432 CB LYS A 54 54.259 40.208 38.151 1.00 0.00 ATOM 433 CG LYS A 54 55.650 39.736 38.048 1.00 0.00 ATOM 434 CD LYS A 54 56.622 40.750 38.680 1.00 0.00 ATOM 435 CE LYS A 54 58.052 40.287 38.572 1.00 0.00 ATOM 436 NZ LYS A 54 58.939 41.296 39.223 1.00 0.00 ATOM 437 O LYS A 54 51.251 39.010 38.876 1.00 0.00 ATOM 438 C LYS A 54 51.791 39.601 37.942 1.00 0.00 ATOM 439 N THR A 55 51.191 40.571 37.265 1.00 0.00 ATOM 440 CA THR A 55 49.853 41.041 37.613 1.00 0.00 ATOM 441 CB THR A 55 49.819 42.577 37.741 1.00 0.00 ATOM 442 CG2 THR A 55 50.828 43.063 38.769 1.00 0.00 ATOM 443 OG1 THR A 55 50.116 43.153 36.462 1.00 0.00 ATOM 444 O THR A 55 49.142 40.140 35.499 1.00 0.00 ATOM 445 C THR A 55 48.815 40.605 36.599 1.00 0.00 ATOM 446 N HIS A 56 47.512 40.756 36.957 1.00 0.00 ATOM 447 CA HIS A 56 46.388 40.437 36.106 1.00 0.00 ATOM 448 CB HIS A 56 45.042 40.644 36.729 1.00 0.00 ATOM 449 CG HIS A 56 44.750 39.715 37.864 1.00 0.00 ATOM 450 CD2 HIS A 56 45.431 38.639 38.331 1.00 0.00 ATOM 451 ND1 HIS A 56 43.634 39.831 38.662 1.00 0.00 ATOM 452 CE1 HIS A 56 43.635 38.878 39.566 1.00 0.00 ATOM 453 NE2 HIS A 56 44.718 38.134 39.391 1.00 0.00 ATOM 454 O HIS A 56 46.302 40.641 33.695 1.00 0.00 ATOM 455 C HIS A 56 46.475 41.211 34.784 1.00 0.00 ATOM 456 N ARG A 57 46.758 42.511 34.870 1.00 0.00 ATOM 457 CA ARG A 57 46.858 43.328 33.658 1.00 0.00 ATOM 458 CB ARG A 57 47.107 44.803 34.061 1.00 0.00 ATOM 459 CG ARG A 57 47.339 45.737 32.882 1.00 0.00 ATOM 460 CD ARG A 57 46.104 45.853 32.003 1.00 0.00 ATOM 461 NE ARG A 57 44.976 46.435 32.719 1.00 0.00 ATOM 462 CZ ARG A 57 43.779 46.653 32.181 1.00 0.00 ATOM 463 NH1 ARG A 57 43.549 46.336 30.915 1.00 0.00 ATOM 464 NH2 ARG A 57 42.807 47.187 32.911 1.00 0.00 ATOM 465 O ARG A 57 47.878 42.859 31.531 1.00 0.00 ATOM 466 C ARG A 57 48.023 42.939 32.753 1.00 0.00 ATOM 467 N GLY A 58 49.156 42.723 33.372 1.00 0.00 ATOM 468 CA GLY A 58 50.337 42.352 32.614 1.00 0.00 ATOM 469 O GLY A 58 50.686 41.031 30.640 1.00 0.00 ATOM 470 C GLY A 58 50.194 41.090 31.782 1.00 0.00 ATOM 471 N THR A 59 49.545 40.120 32.383 1.00 0.00 ATOM 472 CA THR A 59 49.392 38.822 31.732 1.00 0.00 ATOM 473 CB THR A 59 48.697 37.783 32.632 1.00 0.00 ATOM 474 CG2 THR A 59 48.614 36.469 31.870 1.00 0.00 ATOM 475 OG1 THR A 59 49.495 37.551 33.820 1.00 0.00 ATOM 476 O THR A 59 49.037 38.507 29.407 1.00 0.00 ATOM 477 C THR A 59 48.585 38.949 30.472 1.00 0.00 ATOM 478 N ILE A 60 47.390 39.568 30.562 1.00 0.00 ATOM 479 CA ILE A 60 46.525 39.613 29.396 1.00 0.00 ATOM 480 CB ILE A 60 45.140 40.124 29.729 1.00 0.00 ATOM 481 CG1 ILE A 60 44.451 39.139 30.693 1.00 0.00 ATOM 482 CG2 ILE A 60 44.359 40.291 28.437 1.00 0.00 ATOM 483 CD1 ILE A 60 44.001 37.861 30.001 1.00 0.00 ATOM 484 O ILE A 60 47.089 40.092 27.071 1.00 0.00 ATOM 485 C ILE A 60 47.143 40.472 28.255 1.00 0.00 ATOM 486 N TYR A 61 47.805 41.575 28.620 1.00 0.00 ATOM 487 CA TYR A 61 48.426 42.443 27.636 1.00 0.00 ATOM 488 CB TYR A 61 48.978 43.692 28.323 1.00 0.00 ATOM 489 CG TYR A 61 49.555 44.673 27.349 1.00 0.00 ATOM 490 CD1 TYR A 61 50.864 44.529 26.902 1.00 0.00 ATOM 491 CD2 TYR A 61 48.810 45.751 26.913 1.00 0.00 ATOM 492 CE1 TYR A 61 51.389 45.416 26.009 1.00 0.00 ATOM 493 CE2 TYR A 61 49.333 46.653 25.998 1.00 0.00 ATOM 494 CZ TYR A 61 50.631 46.489 25.589 1.00 0.00 ATOM 495 OH TYR A 61 51.167 47.367 24.678 1.00 0.00 ATOM 496 O TYR A 61 49.577 41.795 25.630 1.00 0.00 ATOM 497 C TYR A 61 49.494 41.673 26.853 1.00 0.00 ATOM 498 N LEU A 62 50.329 40.871 27.557 1.00 0.00 ATOM 499 CA LEU A 62 51.364 40.112 26.858 1.00 0.00 ATOM 500 CB LEU A 62 52.226 39.414 27.940 1.00 0.00 ATOM 501 CG LEU A 62 53.259 40.233 28.697 1.00 0.00 ATOM 502 CD1 LEU A 62 53.962 39.334 29.721 1.00 0.00 ATOM 503 CD2 LEU A 62 54.285 40.846 27.790 1.00 0.00 ATOM 504 O LEU A 62 51.253 38.861 24.846 1.00 0.00 ATOM 505 C LEU A 62 50.740 39.120 25.899 1.00 0.00 ATOM 506 N ILE A 63 49.618 38.522 26.280 1.00 0.00 ATOM 507 CA ILE A 63 48.939 37.609 25.371 1.00 0.00 ATOM 508 CB ILE A 63 47.664 37.084 26.079 1.00 0.00 ATOM 509 CG1 ILE A 63 48.095 36.133 27.205 1.00 0.00 ATOM 510 CG2 ILE A 63 46.743 36.391 25.078 1.00 0.00 ATOM 511 CD1 ILE A 63 46.924 35.709 28.109 1.00 0.00 ATOM 512 O ILE A 63 48.724 37.856 22.983 1.00 0.00 ATOM 513 C ILE A 63 48.600 38.381 24.085 1.00 0.00 ATOM 514 N TRP A 64 48.182 39.650 24.263 1.00 0.00 ATOM 515 CA TRP A 64 47.846 40.460 23.063 1.00 0.00 ATOM 516 CB TRP A 64 47.260 41.814 23.475 1.00 0.00 ATOM 517 CG TRP A 64 45.973 41.694 24.245 1.00 0.00 ATOM 518 CD1 TRP A 64 45.134 40.606 24.284 1.00 0.00 ATOM 519 CD2 TRP A 64 45.387 42.682 25.096 1.00 0.00 ATOM 520 CE2 TRP A 64 44.198 42.127 25.626 1.00 0.00 ATOM 521 CE3 TRP A 64 45.750 43.987 25.462 1.00 0.00 ATOM 522 NE1 TRP A 64 44.068 40.862 25.117 1.00 0.00 ATOM 523 CZ2 TRP A 64 43.370 42.835 26.505 1.00 0.00 ATOM 524 CZ3 TRP A 64 44.926 44.688 26.332 1.00 0.00 ATOM 525 CH2 TRP A 64 43.750 44.110 26.842 1.00 0.00 ATOM 526 O TRP A 64 48.969 40.515 20.945 1.00 0.00 ATOM 527 C TRP A 64 49.065 40.641 22.164 1.00 0.00 ATOM 528 N GLU A 65 50.168 40.915 22.779 1.00 0.00 ATOM 529 CA GLU A 65 51.392 41.105 22.006 1.00 0.00 ATOM 530 CB GLU A 65 52.510 41.487 22.959 1.00 0.00 ATOM 531 CG GLU A 65 53.887 41.553 22.323 1.00 0.00 ATOM 532 CD GLU A 65 54.971 41.713 23.382 1.00 0.00 ATOM 533 OE1 GLU A 65 54.697 41.583 24.593 1.00 0.00 ATOM 534 OE2 GLU A 65 56.143 41.907 22.996 1.00 0.00 ATOM 535 O GLU A 65 52.089 39.918 20.054 1.00 0.00 ATOM 536 C GLU A 65 51.726 39.853 21.227 1.00 0.00 ATOM 537 N CYS A 66 51.589 38.699 21.853 1.00 0.00 ATOM 538 CA CYS A 66 51.878 37.415 21.184 1.00 0.00 ATOM 539 CB CYS A 66 51.761 36.274 22.208 1.00 0.00 ATOM 540 SG CYS A 66 52.087 34.651 21.465 1.00 0.00 ATOM 541 O CYS A 66 51.344 36.772 18.921 1.00 0.00 ATOM 542 C CYS A 66 50.924 37.191 20.003 1.00 0.00 ATOM 543 N ARG A 67 49.654 37.424 20.246 1.00 0.00 ATOM 544 CA ARG A 67 48.672 37.231 19.183 1.00 0.00 ATOM 545 CB ARG A 67 47.219 37.378 19.636 1.00 0.00 ATOM 546 CG ARG A 67 46.756 36.194 20.479 1.00 0.00 ATOM 547 CD ARG A 67 45.380 36.479 21.073 1.00 0.00 ATOM 548 NE ARG A 67 44.992 35.419 21.996 1.00 0.00 ATOM 549 CZ ARG A 67 44.407 34.280 21.643 1.00 0.00 ATOM 550 NH1 ARG A 67 44.114 34.047 20.374 1.00 0.00 ATOM 551 NH2 ARG A 67 44.100 33.390 22.579 1.00 0.00 ATOM 552 O ARG A 67 48.907 37.734 16.848 1.00 0.00 ATOM 553 C ARG A 67 48.979 38.148 18.002 1.00 0.00 ATOM 554 N GLU A 68 49.328 39.379 18.314 1.00 0.00 ATOM 555 CA GLU A 68 49.631 40.352 17.273 1.00 0.00 ATOM 556 CB GLU A 68 49.823 41.748 17.851 1.00 0.00 ATOM 557 CG GLU A 68 49.896 42.809 16.761 1.00 0.00 ATOM 558 CD GLU A 68 49.997 44.220 17.301 1.00 0.00 ATOM 559 OE1 GLU A 68 49.312 44.539 18.304 1.00 0.00 ATOM 560 OE2 GLU A 68 50.757 45.015 16.706 1.00 0.00 ATOM 561 O GLU A 68 50.858 40.038 15.244 1.00 0.00 ATOM 562 C GLU A 68 50.863 39.916 16.488 1.00 0.00 ATOM 563 N GLU A 69 51.910 39.459 17.173 1.00 0.00 ATOM 564 CA GLU A 69 53.151 39.121 16.512 1.00 0.00 ATOM 565 CB GLU A 69 54.182 38.737 17.470 1.00 0.00 ATOM 566 CG GLU A 69 55.521 38.430 16.822 1.00 0.00 ATOM 567 CD GLU A 69 56.341 39.676 16.572 1.00 0.00 ATOM 568 OE1 GLU A 69 56.070 40.743 17.178 1.00 0.00 ATOM 569 OE2 GLU A 69 57.275 39.562 15.768 1.00 0.00 ATOM 570 O GLU A 69 53.415 37.856 14.441 1.00 0.00 ATOM 571 C GLU A 69 52.870 37.969 15.548 1.00 0.00 ATOM 572 N LEU A 70 52.024 37.051 15.964 1.00 0.00 ATOM 573 CA LEU A 70 51.713 35.866 15.170 1.00 0.00 ATOM 574 CB LEU A 70 51.258 34.716 16.063 1.00 0.00 ATOM 575 CG LEU A 70 52.318 34.078 16.926 1.00 0.00 ATOM 576 CD1 LEU A 70 51.774 33.028 17.843 1.00 0.00 ATOM 577 CD2 LEU A 70 53.459 33.418 16.112 1.00 0.00 ATOM 578 O LEU A 70 50.435 35.219 13.245 1.00 0.00 ATOM 579 C LEU A 70 50.656 36.086 14.092 1.00 0.00 ATOM 580 N GLY A 71 50.011 37.225 14.127 1.00 0.00 ATOM 581 CA GLY A 71 48.990 37.534 13.139 1.00 0.00 ATOM 582 O GLY A 71 47.084 36.516 12.317 1.00 0.00 ATOM 583 C GLY A 71 47.747 36.687 13.311 1.00 0.00 ATOM 584 N LEU A 72 47.385 36.201 14.497 1.00 0.00 ATOM 585 CA LEU A 72 46.229 35.377 14.655 1.00 0.00 ATOM 586 CB LEU A 72 46.637 33.983 15.125 1.00 0.00 ATOM 587 CG LEU A 72 47.601 33.225 14.217 1.00 0.00 ATOM 588 CD1 LEU A 72 47.897 31.874 14.841 1.00 0.00 ATOM 589 CD2 LEU A 72 47.001 33.053 12.831 1.00 0.00 ATOM 590 O LEU A 72 45.674 36.842 16.435 1.00 0.00 ATOM 591 C LEU A 72 45.270 35.952 15.696 1.00 0.00 ATOM 592 N SER A 73 44.156 34.684 15.332 1.00 0.00 ATOM 593 CA SER A 73 43.155 35.129 14.364 1.00 0.00 ATOM 594 CB SER A 73 42.184 34.003 14.066 1.00 0.00 ATOM 595 OG SER A 73 41.367 33.683 15.173 1.00 0.00 ATOM 596 O SER A 73 42.255 36.489 16.122 1.00 0.00 ATOM 597 C SER A 73 42.409 36.339 14.889 1.00 0.00 ATOM 598 N ASP A 74 41.916 37.162 13.966 1.00 0.00 ATOM 599 CA ASP A 74 41.164 38.362 14.321 1.00 0.00 ATOM 600 CB ASP A 74 40.707 39.100 13.060 1.00 0.00 ATOM 601 CG ASP A 74 41.848 39.803 12.352 1.00 0.00 ATOM 602 OD1 ASP A 74 42.940 39.917 12.949 1.00 0.00 ATOM 603 OD2 ASP A 74 41.653 40.240 11.199 1.00 0.00 ATOM 604 O ASP A 74 39.523 38.913 15.981 1.00 0.00 ATOM 605 C ASP A 74 39.918 38.084 15.159 1.00 0.00 ATOM 606 N ASP A 75 39.296 36.937 14.913 1.00 0.00 ATOM 607 CA ASP A 75 38.092 36.559 15.659 1.00 0.00 ATOM 608 CB ASP A 75 37.483 35.261 15.128 1.00 0.00 ATOM 609 CG ASP A 75 36.814 35.440 13.780 1.00 0.00 ATOM 610 OD1 ASP A 75 36.605 36.600 13.369 1.00 0.00 ATOM 611 OD2 ASP A 75 36.500 34.419 13.132 1.00 0.00 ATOM 612 O ASP A 75 37.505 36.772 17.991 1.00 0.00 ATOM 613 C ASP A 75 38.366 36.438 17.171 1.00 0.00 ATOM 614 N ASP A 76 39.555 36.008 17.515 1.00 0.00 ATOM 615 CA ASP A 76 39.960 35.873 18.919 1.00 0.00 ATOM 616 CB ASP A 76 41.296 35.151 19.104 1.00 0.00 ATOM 617 CG ASP A 76 41.199 33.665 18.816 1.00 0.00 ATOM 618 OD1 ASP A 76 40.066 33.154 18.715 1.00 0.00 ATOM 619 OD2 ASP A 76 42.257 33.015 18.693 1.00 0.00 ATOM 620 O ASP A 76 39.646 37.399 20.754 1.00 0.00 ATOM 621 C ASP A 76 40.034 37.247 19.578 1.00 0.00 ATOM 622 N CYS A 77 40.540 38.247 18.822 1.00 0.00 ATOM 623 CA CYS A 77 40.622 39.629 19.310 1.00 0.00 ATOM 624 CB CYS A 77 41.304 40.531 18.277 1.00 0.00 ATOM 625 SG CYS A 77 43.056 40.173 18.013 1.00 0.00 ATOM 626 O CYS A 77 38.941 40.764 20.619 1.00 0.00 ATOM 627 C CYS A 77 39.207 40.133 19.594 1.00 0.00 ATOM 628 N SER A 78 38.272 39.834 18.700 1.00 0.00 ATOM 629 CA SER A 78 36.910 40.294 18.957 1.00 0.00 ATOM 630 CB SER A 78 36.017 40.035 17.742 1.00 0.00 ATOM 631 OG SER A 78 36.418 40.826 16.637 1.00 0.00 ATOM 632 O SER A 78 35.639 40.232 20.994 1.00 0.00 ATOM 633 C SER A 78 36.333 39.602 20.198 1.00 0.00 ATOM 634 N LYS A 79 36.596 38.293 20.314 1.00 0.00 ATOM 635 CA LYS A 79 36.117 37.489 21.455 1.00 0.00 ATOM 636 CB LYS A 79 36.417 36.037 21.366 1.00 0.00 ATOM 637 CG LYS A 79 35.713 35.423 20.155 1.00 0.00 ATOM 638 CD LYS A 79 36.104 33.977 19.877 1.00 0.00 ATOM 639 CE LYS A 79 35.341 33.460 18.654 1.00 0.00 ATOM 640 NZ LYS A 79 35.693 32.070 18.247 1.00 0.00 ATOM 641 O LYS A 79 36.090 38.060 23.800 1.00 0.00 ATOM 642 C LYS A 79 36.737 38.048 22.746 1.00 0.00 ATOM 643 N LEU A 80 38.008 38.522 22.669 1.00 0.00 ATOM 644 CA LEU A 80 38.668 39.111 23.844 1.00 0.00 ATOM 645 CB LEU A 80 40.112 39.462 23.480 1.00 0.00 ATOM 646 CG LEU A 80 41.064 38.284 23.272 1.00 0.00 ATOM 647 CD1 LEU A 80 42.402 38.763 22.731 1.00 0.00 ATOM 648 CD2 LEU A 80 41.315 37.557 24.584 1.00 0.00 ATOM 649 O LEU A 80 37.807 40.573 25.524 1.00 0.00 ATOM 650 C LEU A 80 37.982 40.383 24.323 1.00 0.00 ATOM 651 N SER A 81 37.600 41.237 23.380 1.00 0.00 ATOM 652 CA SER A 81 36.932 42.494 23.701 1.00 0.00 ATOM 653 CB SER A 81 36.650 43.344 22.460 1.00 0.00 ATOM 654 OG SER A 81 37.856 43.782 21.857 1.00 0.00 ATOM 655 O SER A 81 35.291 42.940 25.429 1.00 0.00 ATOM 656 C SER A 81 35.611 42.254 24.443 1.00 0.00 ATOM 657 N ARG A 82 34.890 41.251 23.985 1.00 0.00 ATOM 658 CA ARG A 82 33.611 40.910 24.595 1.00 0.00 ATOM 659 CB ARG A 82 32.953 39.757 23.878 1.00 0.00 ATOM 660 CG ARG A 82 32.239 40.205 22.617 1.00 0.00 ATOM 661 CD ARG A 82 31.429 39.139 21.930 1.00 0.00 ATOM 662 NE ARG A 82 32.341 38.460 21.067 1.00 0.00 ATOM 663 CZ ARG A 82 32.382 38.493 19.719 1.00 0.00 ATOM 664 NH1 ARG A 82 31.507 39.135 18.946 1.00 0.00 ATOM 665 NH2 ARG A 82 33.365 37.837 19.151 1.00 0.00 ATOM 666 O ARG A 82 33.143 40.837 26.952 1.00 0.00 ATOM 667 C ARG A 82 33.817 40.400 26.012 1.00 0.00 ATOM 668 N ALA A 83 34.753 39.448 26.152 1.00 0.00 ATOM 669 CA ALA A 83 35.077 38.827 27.449 1.00 0.00 ATOM 670 CB ALA A 83 36.117 37.736 27.212 1.00 0.00 ATOM 671 O ALA A 83 35.369 39.741 29.636 1.00 0.00 ATOM 672 C ALA A 83 35.607 39.862 28.433 1.00 0.00 ATOM 673 N PHE A 84 36.338 40.813 27.932 1.00 0.00 ATOM 674 CA PHE A 84 36.945 41.826 28.799 1.00 0.00 ATOM 675 CB PHE A 84 37.918 42.679 27.882 1.00 0.00 ATOM 676 CG PHE A 84 38.649 43.762 28.629 1.00 0.00 ATOM 677 CD1 PHE A 84 39.813 43.474 29.336 1.00 0.00 ATOM 678 CD2 PHE A 84 38.159 45.065 28.647 1.00 0.00 ATOM 679 CE1 PHE A 84 40.479 44.469 30.052 1.00 0.00 ATOM 680 CE2 PHE A 84 38.820 46.072 29.362 1.00 0.00 ATOM 681 CZ PHE A 84 39.978 45.772 30.064 1.00 0.00 ATOM 682 O PHE A 84 36.284 43.150 30.652 1.00 0.00 ATOM 683 C PHE A 84 35.973 42.646 29.586 1.00 0.00 ATOM 684 N ASP A 85 34.789 42.781 29.057 1.00 0.00 ATOM 685 CA ASP A 85 33.721 43.493 29.751 1.00 0.00 ATOM 686 CB ASP A 85 32.629 43.913 28.765 1.00 0.00 ATOM 687 CG ASP A 85 33.076 45.031 27.842 1.00 0.00 ATOM 688 OD1 ASP A 85 34.108 45.670 28.141 1.00 0.00 ATOM 689 OD2 ASP A 85 32.396 45.269 26.824 1.00 0.00 ATOM 690 O ASP A 85 32.136 43.095 31.480 1.00 0.00 ATOM 691 C ASP A 85 33.079 42.639 30.831 1.00 0.00 ATOM 692 N LEU A 86 33.522 41.391 30.999 1.00 0.00 ATOM 693 CA LEU A 86 32.896 40.528 32.031 1.00 0.00 ATOM 694 CB LEU A 86 32.690 39.115 31.482 1.00 0.00 ATOM 695 CG LEU A 86 31.768 38.986 30.270 1.00 0.00 ATOM 696 CD1 LEU A 86 31.735 37.551 29.769 1.00 0.00 ATOM 697 CD2 LEU A 86 30.347 39.398 30.626 1.00 0.00 ATOM 698 O LEU A 86 33.216 39.745 34.264 1.00 0.00 ATOM 699 C LEU A 86 33.703 40.391 33.327 1.00 0.00 ATOM 700 N ARG A 87 34.911 40.970 33.385 1.00 0.00 ATOM 701 CA ARG A 87 35.685 40.838 34.605 1.00 0.00 ATOM 702 CB ARG A 87 37.109 41.295 34.417 1.00 0.00 ATOM 703 CG ARG A 87 37.911 41.383 35.687 1.00 0.00 ATOM 704 CD ARG A 87 39.344 41.755 35.506 1.00 0.00 ATOM 705 NE ARG A 87 39.490 42.976 34.753 1.00 0.00 ATOM 706 CZ ARG A 87 40.582 43.288 34.137 1.00 0.00 ATOM 707 NH1 ARG A 87 41.677 42.558 34.294 1.00 0.00 ATOM 708 NH2 ARG A 87 40.601 44.343 33.357 1.00 0.00 ATOM 709 O ARG A 87 34.993 41.118 36.889 1.00 0.00 ATOM 710 C ARG A 87 35.111 41.635 35.777 1.00 0.00 ATOM 711 N GLU A 88 34.710 42.838 35.584 1.00 0.00 ATOM 712 CA GLU A 88 34.197 43.703 36.639 1.00 0.00 ATOM 713 CB GLU A 88 34.669 45.116 36.520 1.00 0.00 ATOM 714 CG GLU A 88 36.174 45.280 36.526 1.00 0.00 ATOM 715 CD GLU A 88 36.600 46.744 36.380 1.00 0.00 ATOM 716 OE1 GLU A 88 35.747 47.594 36.024 1.00 0.00 ATOM 717 OE2 GLU A 88 37.794 47.039 36.622 1.00 0.00 ATOM 718 O GLU A 88 32.036 44.003 37.685 1.00 0.00 ATOM 719 C GLU A 88 32.707 43.976 36.634 1.00 0.00 ATOM 720 N GLU A 89 32.033 44.220 35.472 1.00 0.00 ATOM 721 CA GLU A 89 30.615 44.501 35.355 1.00 0.00 ATOM 722 CB GLU A 89 30.325 44.792 33.880 1.00 0.00 ATOM 723 CG GLU A 89 30.835 46.141 33.402 1.00 0.00 ATOM 724 CD GLU A 89 30.608 46.357 31.920 1.00 0.00 ATOM 725 OE1 GLU A 89 30.133 45.418 31.248 1.00 0.00 ATOM 726 OE2 GLU A 89 30.909 47.466 31.427 1.00 0.00 ATOM 727 O GLU A 89 28.532 43.713 36.234 1.00 0.00 ATOM 728 C GLU A 89 29.643 43.417 35.801 1.00 0.00 ATOM 729 N SER A 90 30.081 42.208 35.694 1.00 0.00 ATOM 730 CA SER A 90 29.243 41.070 36.081 1.00 0.00 ATOM 731 CB SER A 90 29.935 39.750 35.693 1.00 0.00 ATOM 732 OG SER A 90 31.104 39.536 36.464 1.00 0.00 ATOM 733 O SER A 90 27.833 40.649 37.961 1.00 0.00 ATOM 734 C SER A 90 28.924 41.063 37.572 1.00 0.00 ATOM 735 N ASP A 91 29.760 41.670 38.420 1.00 0.00 ATOM 736 CA ASP A 91 29.525 41.668 39.860 1.00 0.00 ATOM 737 CB ASP A 91 30.796 41.092 40.491 1.00 0.00 ATOM 738 CG ASP A 91 31.143 39.719 39.950 1.00 0.00 ATOM 739 OD1 ASP A 91 30.311 38.799 40.089 1.00 0.00 ATOM 740 OD2 ASP A 91 32.249 39.565 39.389 1.00 0.00 ATOM 741 O ASP A 91 28.974 43.012 41.747 1.00 0.00 ATOM 742 C ASP A 91 29.267 43.009 40.560 1.00 0.00 ATOM 743 N TYR A 92 29.554 44.123 39.875 1.00 0.00 ATOM 744 CA TYR A 92 29.463 45.429 40.557 1.00 0.00 ATOM 745 CB TYR A 92 30.068 46.482 39.816 1.00 0.00 ATOM 746 CG TYR A 92 31.452 46.650 40.387 1.00 0.00 ATOM 747 CD1 TYR A 92 31.652 47.272 41.613 1.00 0.00 ATOM 748 CD2 TYR A 92 32.529 46.170 39.675 1.00 0.00 ATOM 749 CE1 TYR A 92 32.923 47.443 42.155 1.00 0.00 ATOM 750 CE2 TYR A 92 33.791 46.342 40.139 1.00 0.00 ATOM 751 CZ TYR A 92 34.001 46.986 41.382 1.00 0.00 ATOM 752 OH TYR A 92 35.280 47.115 41.877 1.00 0.00 ATOM 753 O TYR A 92 27.295 46.327 39.900 1.00 0.00 ATOM 754 C TYR A 92 27.988 45.763 40.780 1.00 0.00 ATOM 755 N GLY A 93 27.509 45.452 41.978 1.00 0.00 ATOM 756 CA GLY A 93 26.117 45.679 42.285 1.00 0.00 ATOM 757 O GLY A 93 23.958 44.886 41.562 1.00 0.00 ATOM 758 C GLY A 93 25.186 44.662 41.663 1.00 0.00 ATOM 759 N ILE A 94 25.740 43.589 41.152 1.00 0.00 ATOM 760 CA ILE A 94 24.952 42.538 40.511 1.00 0.00 ATOM 761 CB ILE A 94 25.718 41.937 39.288 1.00 0.00 ATOM 762 CG1 ILE A 94 26.184 43.057 38.353 1.00 0.00 ATOM 763 CG2 ILE A 94 24.865 40.908 38.565 1.00 0.00 ATOM 764 CD1 ILE A 94 25.077 43.870 37.747 1.00 0.00 ATOM 765 O ILE A 94 25.491 40.851 42.239 1.00 0.00 ATOM 766 C ILE A 94 24.672 41.460 41.527 1.00 0.00 ATOM 767 N TYR A 95 24.256 40.823 39.017 1.00 0.00 ATOM 768 CA TYR A 95 23.710 39.530 38.529 1.00 0.00 ATOM 769 CB TYR A 95 22.741 39.046 39.862 1.00 0.00 ATOM 770 CG TYR A 95 22.267 37.618 39.942 1.00 0.00 ATOM 771 CD1 TYR A 95 22.926 36.698 40.755 1.00 0.00 ATOM 772 CD2 TYR A 95 21.130 37.182 39.257 1.00 0.00 ATOM 773 CE1 TYR A 95 22.448 35.386 40.876 1.00 0.00 ATOM 774 CE2 TYR A 95 20.631 35.886 39.373 1.00 0.00 ATOM 775 CZ TYR A 95 21.289 34.971 40.201 1.00 0.00 ATOM 776 OH TYR A 95 20.826 33.645 40.301 1.00 0.00 ATOM 777 O TYR A 95 22.422 38.695 36.649 1.00 0.00 ATOM 778 C TYR A 95 22.501 39.529 37.607 1.00 0.00 ATOM 779 N LYS A 96 21.620 40.504 37.834 1.00 0.00 ATOM 780 CA LYS A 96 20.376 40.585 37.064 1.00 0.00 ATOM 781 CB LYS A 96 19.392 41.544 37.735 1.00 0.00 ATOM 782 CG LYS A 96 18.876 41.062 39.080 1.00 0.00 ATOM 783 CD LYS A 96 17.897 42.057 39.686 1.00 0.00 ATOM 784 CE LYS A 96 17.369 41.570 41.024 1.00 0.00 ATOM 785 NZ LYS A 96 16.419 42.539 41.635 1.00 0.00 ATOM 786 O LYS A 96 19.608 41.039 34.856 1.00 0.00 ATOM 787 C LYS A 96 20.540 41.077 35.639 1.00 0.00 ATOM 788 N GLU A 97 21.901 41.560 35.446 1.00 0.00 ATOM 789 CA GLU A 97 22.101 42.101 34.122 1.00 0.00 ATOM 790 CB GLU A 97 23.094 43.262 34.161 1.00 0.00 ATOM 791 CG GLU A 97 22.596 44.480 34.922 1.00 0.00 ATOM 792 CD GLU A 97 23.622 45.596 34.972 1.00 0.00 ATOM 793 OE1 GLU A 97 24.707 45.431 34.374 1.00 0.00 ATOM 794 OE2 GLU A 97 23.341 46.632 35.612 1.00 0.00 ATOM 795 O GLU A 97 23.028 41.504 32.044 1.00 0.00 ATOM 796 C GLU A 97 22.643 41.093 33.131 1.00 0.00 ATOM 797 N VAL A 98 22.690 39.805 33.486 1.00 0.00 ATOM 798 CA VAL A 98 23.282 38.831 32.575 1.00 0.00 ATOM 799 CB VAL A 98 24.548 38.150 33.171 1.00 0.00 ATOM 800 CG1 VAL A 98 24.156 37.327 34.369 1.00 0.00 ATOM 801 CG2 VAL A 98 25.213 37.280 32.109 1.00 0.00 ATOM 802 O VAL A 98 21.495 37.367 33.081 1.00 0.00 ATOM 803 C VAL A 98 22.271 37.740 32.232 1.00 0.00 ATOM 804 N SER A 99 22.264 37.251 30.992 1.00 0.00 ATOM 805 CA SER A 99 21.237 36.279 30.575 1.00 0.00 ATOM 806 CB SER A 99 20.425 36.809 29.392 1.00 0.00 ATOM 807 OG SER A 99 21.239 36.961 28.241 1.00 0.00 ATOM 808 O SER A 99 23.137 34.830 30.029 1.00 0.00 ATOM 809 C SER A 99 21.882 34.946 30.147 1.00 0.00 ATOM 810 N LYS A 100 21.061 33.947 29.913 1.00 0.00 ATOM 811 CA LYS A 100 21.553 32.653 29.500 1.00 0.00 ATOM 812 CB LYS A 100 20.484 31.594 29.566 1.00 0.00 ATOM 813 CG LYS A 100 19.617 31.500 28.332 1.00 0.00 ATOM 814 CD LYS A 100 18.150 31.704 28.677 1.00 0.00 ATOM 815 CE LYS A 100 17.358 30.484 28.259 1.00 0.00 ATOM 816 NZ LYS A 100 16.392 30.064 29.311 1.00 0.00 ATOM 817 O LYS A 100 23.145 32.157 27.788 1.00 0.00 ATOM 818 C LYS A 100 22.127 32.776 28.096 1.00 0.00 ATOM 819 N ASP A 101 21.543 33.628 27.177 1.00 0.00 ATOM 820 CA ASP A 101 22.082 33.794 25.835 1.00 0.00 ATOM 821 CB ASP A 101 21.253 34.688 25.037 1.00 0.00 ATOM 822 CG ASP A 101 19.991 34.025 24.563 1.00 0.00 ATOM 823 OD1 ASP A 101 19.872 32.780 24.607 1.00 0.00 ATOM 824 OD2 ASP A 101 19.071 34.726 24.093 1.00 0.00 ATOM 825 O ASP A 101 24.381 34.026 25.277 1.00 0.00 ATOM 826 C ASP A 101 23.438 34.445 25.941 1.00 0.00 ATOM 827 N LEU A 102 23.559 35.465 26.790 1.00 0.00 ATOM 828 CA LEU A 102 24.830 36.156 26.952 1.00 0.00 ATOM 829 CB LEU A 102 24.638 37.376 27.885 1.00 0.00 ATOM 830 CG LEU A 102 25.909 38.062 28.337 1.00 0.00 ATOM 831 CD1 LEU A 102 26.711 38.540 27.128 1.00 0.00 ATOM 832 CD2 LEU A 102 25.662 39.190 29.268 1.00 0.00 ATOM 833 O LEU A 102 27.024 35.187 27.038 1.00 0.00 ATOM 834 C LEU A 102 25.876 35.193 27.513 1.00 0.00 ATOM 835 N ALA A 103 25.522 34.363 28.503 1.00 0.00 ATOM 836 CA ALA A 103 26.463 33.414 29.089 1.00 0.00 ATOM 837 CB ALA A 103 25.841 32.750 30.317 1.00 0.00 ATOM 838 O ALA A 103 28.110 32.039 28.024 1.00 0.00 ATOM 839 C ALA A 103 26.934 32.399 28.058 1.00 0.00 ATOM 840 N ILE A 104 26.002 31.894 27.242 1.00 0.00 ATOM 841 CA ILE A 104 26.342 30.919 26.210 1.00 0.00 ATOM 842 CB ILE A 104 25.047 30.364 25.513 1.00 0.00 ATOM 843 CG1 ILE A 104 24.169 29.633 26.532 1.00 0.00 ATOM 844 CG2 ILE A 104 25.426 29.426 24.358 1.00 0.00 ATOM 845 CD1 ILE A 104 22.852 29.115 25.958 1.00 0.00 ATOM 846 O ILE A 104 28.224 30.837 24.722 1.00 0.00 ATOM 847 C ILE A 104 27.290 31.502 25.169 1.00 0.00 ATOM 848 N LYS A 105 27.033 32.750 24.764 1.00 0.00 ATOM 849 CA LYS A 105 27.867 33.422 23.779 1.00 0.00 ATOM 850 CB LYS A 105 27.343 34.800 23.343 1.00 0.00 ATOM 851 CG LYS A 105 26.221 34.702 22.323 1.00 0.00 ATOM 852 CD LYS A 105 25.704 36.096 21.944 1.00 0.00 ATOM 853 CE LYS A 105 24.597 35.996 20.902 1.00 0.00 ATOM 854 NZ LYS A 105 24.218 37.373 20.455 1.00 0.00 ATOM 855 O LYS A 105 30.254 33.401 23.600 1.00 0.00 ATOM 856 C LYS A 105 29.288 33.564 24.335 1.00 0.00 ATOM 857 N ILE A 106 29.424 33.843 25.619 1.00 0.00 ATOM 858 CA ILE A 106 30.766 33.950 26.254 1.00 0.00 ATOM 859 CB ILE A 106 30.728 34.387 27.690 1.00 0.00 ATOM 860 CG1 ILE A 106 30.119 35.789 27.775 1.00 0.00 ATOM 861 CG2 ILE A 106 32.147 34.351 28.274 1.00 0.00 ATOM 862 CD1 ILE A 106 30.716 36.790 26.804 1.00 0.00 ATOM 863 O ILE A 106 32.628 32.450 25.970 1.00 0.00 ATOM 864 C ILE A 106 31.443 32.571 26.290 1.00 0.00 ATOM 865 N LEU A 107 30.690 31.540 26.670 1.00 0.00 ATOM 866 CA LEU A 107 31.232 30.175 26.745 1.00 0.00 ATOM 867 CB LEU A 107 30.147 29.192 27.186 1.00 0.00 ATOM 868 CG LEU A 107 30.557 27.721 27.270 1.00 0.00 ATOM 869 CD1 LEU A 107 31.664 27.530 28.298 1.00 0.00 ATOM 870 CD2 LEU A 107 29.376 26.854 27.678 1.00 0.00 ATOM 871 O LEU A 107 32.823 29.090 25.331 1.00 0.00 ATOM 872 C LEU A 107 31.741 29.663 25.402 1.00 0.00 ATOM 873 N LYS A 108 30.970 29.902 24.350 1.00 0.00 ATOM 874 CA LYS A 108 31.393 29.427 23.040 1.00 0.00 ATOM 875 CB LYS A 108 30.329 29.735 21.984 1.00 0.00 ATOM 876 CG LYS A 108 30.680 29.245 20.588 1.00 0.00 ATOM 877 CD LYS A 108 29.549 29.514 19.608 1.00 0.00 ATOM 878 CE LYS A 108 29.912 29.051 18.207 1.00 0.00 ATOM 879 NZ LYS A 108 28.819 29.319 17.234 1.00 0.00 ATOM 880 O LYS A 108 33.647 29.377 22.160 1.00 0.00 ATOM 881 C LYS A 108 32.723 30.065 22.641 1.00 0.00 ATOM 882 N ASP A 109 32.831 31.357 22.871 1.00 0.00 ATOM 883 CA ASP A 109 34.074 32.056 22.482 1.00 0.00 ATOM 884 CB ASP A 109 33.997 33.530 22.677 1.00 0.00 ATOM 885 CG ASP A 109 33.174 34.228 21.602 1.00 0.00 ATOM 886 OD1 ASP A 109 33.031 33.680 20.496 1.00 0.00 ATOM 887 OD2 ASP A 109 32.665 35.339 21.863 1.00 0.00 ATOM 888 O ASP A 109 36.354 31.319 22.719 1.00 0.00 ATOM 889 C ASP A 109 35.275 31.549 23.280 1.00 0.00 ATOM 890 N ALA A 110 35.094 31.382 24.572 1.00 0.00 ATOM 891 CA ALA A 110 36.198 30.883 25.407 1.00 0.00 ATOM 892 CB ALA A 110 35.806 30.845 26.877 1.00 0.00 ATOM 893 O ALA A 110 37.761 29.121 24.993 1.00 0.00 ATOM 894 C ALA A 110 36.577 29.467 24.966 1.00 0.00 ATOM 895 N GLU A 111 35.591 28.638 24.613 1.00 0.00 ATOM 896 CA GLU A 111 35.872 27.266 24.152 1.00 0.00 ATOM 897 CB GLU A 111 34.571 26.531 23.827 1.00 0.00 ATOM 898 CG GLU A 111 33.729 26.192 25.046 1.00 0.00 ATOM 899 CD GLU A 111 32.390 25.578 24.679 1.00 0.00 ATOM 900 OE1 GLU A 111 32.093 25.486 23.469 1.00 0.00 ATOM 901 OE2 GLU A 111 31.644 25.189 25.600 1.00 0.00 ATOM 902 O GLU A 111 37.711 26.523 22.780 1.00 0.00 ATOM 903 C GLU A 111 36.742 27.282 22.903 1.00 0.00 ATOM 904 N ILE A 112 36.371 28.167 21.989 1.00 0.00 ATOM 905 CA ILE A 112 37.156 28.301 20.739 1.00 0.00 ATOM 906 CB ILE A 112 36.531 29.370 19.825 1.00 0.00 ATOM 907 CG1 ILE A 112 35.149 28.897 19.280 1.00 0.00 ATOM 908 CG2 ILE A 112 37.431 29.602 18.647 1.00 0.00 ATOM 909 CD1 ILE A 112 35.303 27.666 18.555 1.00 0.00 ATOM 910 O ILE A 112 39.568 28.109 20.673 1.00 0.00 ATOM 911 C ILE A 112 38.571 28.682 21.174 1.00 0.00 ATOM 912 N PHE A 113 38.715 29.688 22.053 1.00 0.00 ATOM 913 CA PHE A 113 40.029 30.121 22.537 1.00 0.00 ATOM 914 CB PHE A 113 39.678 30.995 23.937 1.00 0.00 ATOM 915 CG PHE A 113 40.654 32.048 24.387 1.00 0.00 ATOM 916 CD1 PHE A 113 40.615 33.319 23.818 1.00 0.00 ATOM 917 CD2 PHE A 113 41.664 31.753 25.314 1.00 0.00 ATOM 918 CE1 PHE A 113 41.507 34.309 24.182 1.00 0.00 ATOM 919 CE2 PHE A 113 42.581 32.760 25.711 1.00 0.00 ATOM 920 CZ PHE A 113 42.526 34.018 25.134 1.00 0.00 ATOM 921 O PHE A 113 41.924 28.809 23.159 1.00 0.00 ATOM 922 C PHE A 113 40.729 29.042 23.347 1.00 0.00 ATOM 923 N VAL A 114 40.050 28.427 24.291 1.00 0.00 ATOM 924 CA VAL A 114 40.710 27.427 25.132 1.00 0.00 ATOM 925 CB VAL A 114 39.740 26.963 26.267 1.00 0.00 ATOM 926 CG1 VAL A 114 40.352 25.803 27.059 1.00 0.00 ATOM 927 CG2 VAL A 114 39.441 28.134 27.198 1.00 0.00 ATOM 928 O VAL A 114 42.292 25.695 24.523 1.00 0.00 ATOM 929 C VAL A 114 41.198 26.263 24.327 1.00 0.00 ATOM 930 N GLN A 115 40.370 25.799 23.384 1.00 0.00 ATOM 931 CA GLN A 115 40.695 24.588 22.646 1.00 0.00 ATOM 932 CB GLN A 115 39.526 24.145 21.780 1.00 0.00 ATOM 933 CG GLN A 115 38.408 23.493 22.572 1.00 0.00 ATOM 934 CD GLN A 115 38.862 22.221 23.263 1.00 0.00 ATOM 935 OE1 GLN A 115 39.177 21.226 22.609 1.00 0.00 ATOM 936 NE2 GLN A 115 38.907 22.251 24.589 1.00 0.00 ATOM 937 O GLN A 115 42.813 23.990 21.704 1.00 0.00 ATOM 938 C GLN A 115 41.926 24.836 21.780 1.00 0.00 ATOM 939 N LYS A 116 41.996 25.980 21.099 1.00 0.00 ATOM 940 CA LYS A 116 43.139 26.294 20.255 1.00 0.00 ATOM 941 CB LYS A 116 42.936 27.635 19.524 1.00 0.00 ATOM 942 CG LYS A 116 41.903 27.577 18.415 1.00 0.00 ATOM 943 CD LYS A 116 41.704 28.947 17.775 1.00 0.00 ATOM 944 CE LYS A 116 40.634 28.897 16.696 1.00 0.00 ATOM 945 NZ LYS A 116 40.330 30.253 16.150 1.00 0.00 ATOM 946 O LYS A 116 45.474 25.941 20.688 1.00 0.00 ATOM 947 C LYS A 116 44.403 26.378 21.108 1.00 0.00 ATOM 948 N ALA A 117 44.268 26.917 22.316 1.00 0.00 ATOM 949 CA ALA A 117 45.430 27.016 23.197 1.00 0.00 ATOM 950 CB ALA A 117 45.043 27.818 24.450 1.00 0.00 ATOM 951 O ALA A 117 47.123 25.374 23.608 1.00 0.00 ATOM 952 C ALA A 117 45.912 25.634 23.592 1.00 0.00 ATOM 953 N LYS A 118 44.955 24.704 23.899 1.00 0.00 ATOM 954 CA LYS A 118 45.336 23.348 24.276 1.00 0.00 ATOM 955 CB LYS A 118 44.109 22.575 24.710 1.00 0.00 ATOM 956 CG LYS A 118 43.529 23.053 26.029 1.00 0.00 ATOM 957 CD LYS A 118 42.273 22.267 26.393 1.00 0.00 ATOM 958 CE LYS A 118 41.668 22.775 27.693 1.00 0.00 ATOM 959 NZ LYS A 118 40.366 22.111 27.997 1.00 0.00 ATOM 960 O LYS A 118 46.931 21.835 23.358 1.00 0.00 ATOM 961 C LYS A 118 46.028 22.638 23.131 1.00 0.00 ATOM 962 N ASN A 119 45.611 22.949 21.920 1.00 0.00 ATOM 963 CA ASN A 119 46.129 22.306 20.719 1.00 0.00 ATOM 964 CB ASN A 119 45.301 22.655 19.512 1.00 0.00 ATOM 965 CG ASN A 119 44.097 21.719 19.446 1.00 0.00 ATOM 966 ND2 ASN A 119 42.926 22.246 19.722 1.00 0.00 ATOM 967 OD1 ASN A 119 44.211 20.526 19.120 1.00 0.00 ATOM 968 O ASN A 119 48.426 21.759 20.365 1.00 0.00 ATOM 969 C ASN A 119 47.593 22.661 20.532 1.00 0.00 ATOM 970 N ALA A 120 47.948 23.911 20.679 1.00 0.00 ATOM 971 CA ALA A 120 49.339 24.369 20.617 1.00 0.00 ATOM 972 CB ALA A 120 49.456 25.903 20.710 1.00 0.00 ATOM 973 O ALA A 120 51.281 23.319 21.499 1.00 0.00 ATOM 974 C ALA A 120 50.163 23.768 21.724 1.00 0.00 ATOM 975 N VAL A 121 49.625 23.776 22.934 1.00 0.00 ATOM 976 CA VAL A 121 50.342 23.275 24.074 1.00 0.00 ATOM 977 CB VAL A 121 49.574 23.486 25.384 1.00 0.00 ATOM 978 CG1 VAL A 121 50.234 22.723 26.516 1.00 0.00 ATOM 979 CG2 VAL A 121 49.540 24.971 25.708 1.00 0.00 ATOM 980 O VAL A 121 51.705 21.295 24.157 1.00 0.00 ATOM 981 C VAL A 121 50.601 21.765 23.899 1.00 0.00 ATOM 982 N ASN A 122 49.567 21.056 23.463 1.00 0.00 ATOM 983 CA ASN A 122 49.729 19.606 23.249 1.00 0.00 ATOM 984 CB ASN A 122 48.406 18.988 22.790 1.00 0.00 ATOM 985 CG ASN A 122 48.455 17.465 22.711 1.00 0.00 ATOM 986 ND2 ASN A 122 48.305 16.930 21.504 1.00 0.00 ATOM 987 OD1 ASN A 122 48.607 16.780 23.719 1.00 0.00 ATOM 988 O ASN A 122 51.507 18.281 22.342 1.00 0.00 ATOM 989 C ASN A 122 50.848 19.309 22.243 1.00 0.00 ATOM 990 N LYS A 123 51.016 20.324 21.291 1.00 0.00 ATOM 991 CA LYS A 123 52.070 20.188 20.281 1.00 0.00 ATOM 992 CB LYS A 123 51.641 20.830 18.963 1.00 0.00 ATOM 993 CG LYS A 123 50.444 20.116 18.350 1.00 0.00 ATOM 994 CD LYS A 123 50.011 20.697 17.013 1.00 0.00 ATOM 995 CE LYS A 123 50.879 20.204 15.875 1.00 0.00 ATOM 996 NZ LYS A 123 50.309 20.602 14.558 1.00 0.00 ATOM 997 O LYS A 123 54.268 21.106 19.941 1.00 0.00 ATOM 998 C LYS A 123 53.447 20.656 20.742 1.00 0.00 ATOM 999 N ASN A 124 53.667 20.725 22.010 1.00 0.00 ATOM 1000 CA ASN A 124 54.944 21.044 22.636 1.00 0.00 ATOM 1001 CB ASN A 124 56.028 20.134 22.034 1.00 0.00 ATOM 1002 CG ASN A 124 55.647 18.693 22.132 1.00 0.00 ATOM 1003 ND2 ASN A 124 55.640 18.002 21.017 1.00 0.00 ATOM 1004 OD1 ASN A 124 55.357 18.199 23.221 1.00 0.00 ATOM 1005 O ASN A 124 56.524 22.840 22.837 1.00 0.00 ATOM 1006 C ASN A 124 55.327 22.517 22.721 1.00 0.00 ATOM 1007 N ARG A 125 54.349 23.430 22.601 1.00 0.00 ATOM 1008 CA ARG A 125 54.646 24.838 22.728 1.00 0.00 ATOM 1009 CB ARG A 125 55.134 25.453 21.423 1.00 0.00 ATOM 1010 CG ARG A 125 54.110 25.376 20.331 1.00 0.00 ATOM 1011 CD ARG A 125 54.635 26.022 19.065 1.00 0.00 ATOM 1012 NE ARG A 125 53.651 25.745 18.039 1.00 0.00 ATOM 1013 CZ ARG A 125 52.572 26.494 17.859 1.00 0.00 ATOM 1014 NH1 ARG A 125 52.405 27.594 18.578 1.00 0.00 ATOM 1015 NH2 ARG A 125 51.697 26.171 16.934 1.00 0.00 ATOM 1016 O ARG A 125 52.308 25.081 22.991 1.00 0.00 ATOM 1017 C ARG A 125 53.402 25.544 23.206 1.00 0.00 ENDMDL EXPDTA 2hsbA MODEL 2 REMARK 44 REMARK 44 model 2 is called 2hsbA ATOM 1 N MET A 1 53.375 17.943 37.575 1.00 0.00 ATOM 2 CA MET A 1 52.949 19.034 38.446 1.00 0.00 ATOM 3 CB MET A 1 53.298 18.713 39.907 1.00 0.00 ATOM 4 CG MET A 1 52.601 17.488 40.478 1.00 0.00 ATOM 5 SD MET A 1 50.659 17.705 40.667 1.00 0.00 ATOM 6 CE MET A 1 50.652 19.066 42.089 1.00 0.00 ATOM 7 O MET A 1 53.692 21.287 38.842 1.00 0.00 ATOM 8 C MET A 1 53.607 20.358 38.038 1.00 0.00 ATOM 9 N ASP A 2 54.066 20.453 36.791 1.00 0.00 ATOM 10 CA ASP A 2 54.620 21.704 36.280 1.00 0.00 ATOM 11 CB ASP A 2 55.425 21.457 35.022 1.00 0.00 ATOM 12 CG ASP A 2 54.591 20.845 33.924 1.00 0.00 ATOM 13 OD1 ASP A 2 54.239 19.643 34.054 1.00 0.00 ATOM 14 OD2 ASP A 2 54.278 21.576 32.961 1.00 0.00 ATOM 15 O ASP A 2 52.359 22.345 35.751 1.00 0.00 ATOM 16 C ASP A 2 53.515 22.719 35.966 1.00 0.00 ATOM 17 N GLU A 3 53.905 23.992 35.906 1.00 0.00 ATOM 18 CA GLU A 3 52.968 25.101 35.754 1.00 0.00 ATOM 19 CB GLU A 3 53.707 26.443 35.821 1.00 0.00 ATOM 20 CG GLU A 3 52.785 27.660 35.716 1.00 0.00 ATOM 21 CD GLU A 3 53.493 29.003 35.885 1.00 0.00 ATOM 22 OE1 GLU A 3 54.703 29.033 36.210 1.00 0.00 ATOM 23 OE2 GLU A 3 52.821 30.041 35.678 1.00 0.00 ATOM 24 O GLU A 3 50.994 25.336 34.444 1.00 0.00 ATOM 25 C GLU A 3 52.170 25.010 34.456 1.00 0.00 ATOM 26 N LEU A 4 52.798 24.574 33.366 1.00 0.00 ATOM 27 CA LEU A 4 52.101 24.513 32.085 1.00 0.00 ATOM 28 CB LEU A 4 53.053 24.110 30.961 1.00 0.00 ATOM 29 CG LEU A 4 52.511 24.111 29.530 1.00 0.00 ATOM 30 CD1 LEU A 4 51.985 25.471 29.106 1.00 0.00 ATOM 31 CD2 LEU A 4 53.607 23.626 28.555 1.00 0.00 ATOM 32 O LEU A 4 49.799 23.885 31.772 1.00 0.00 ATOM 33 C LEU A 4 50.920 23.550 32.157 1.00 0.00 ATOM 34 N GLU A 5 51.172 22.366 32.697 1.00 0.00 ATOM 35 CA GLU A 5 50.140 21.357 32.811 1.00 0.00 ATOM 36 CB GLU A 5 50.737 20.041 33.311 1.00 0.00 ATOM 37 CG GLU A 5 49.718 18.975 33.674 1.00 0.00 ATOM 38 CD GLU A 5 48.740 18.701 32.563 1.00 0.00 ATOM 39 OE1 GLU A 5 49.148 18.794 31.387 1.00 0.00 ATOM 40 OE2 GLU A 5 47.568 18.387 32.869 1.00 0.00 ATOM 41 O GLU A 5 47.865 21.755 33.419 1.00 0.00 ATOM 42 C GLU A 5 49.038 21.843 33.745 1.00 0.00 ATOM 43 N LEU A 6 49.421 22.370 34.898 1.00 0.00 ATOM 44 CA LEU A 6 48.437 22.747 35.910 1.00 0.00 ATOM 45 CB LEU A 6 49.143 23.062 37.225 1.00 0.00 ATOM 46 CG LEU A 6 49.763 21.815 37.873 1.00 0.00 ATOM 47 CD1 LEU A 6 50.343 22.141 39.243 1.00 0.00 ATOM 48 CD2 LEU A 6 48.729 20.686 37.967 1.00 0.00 ATOM 49 O LEU A 6 46.360 23.965 35.828 1.00 0.00 ATOM 50 C LEU A 6 47.543 23.913 35.466 1.00 0.00 ATOM 51 N ARG A 7 48.120 24.848 34.713 1.00 0.00 ATOM 52 CA ARG A 7 47.358 25.949 34.107 1.00 0.00 ATOM 53 CB ARG A 7 48.283 26.870 33.320 1.00 0.00 ATOM 54 CG ARG A 7 49.257 27.646 34.145 1.00 0.00 ATOM 55 CD ARG A 7 48.715 28.972 34.470 1.00 0.00 ATOM 56 NE ARG A 7 49.661 29.787 35.205 1.00 0.00 ATOM 57 CZ ARG A 7 49.304 30.852 35.914 1.00 0.00 ATOM 58 NH1 ARG A 7 48.027 31.197 35.969 1.00 0.00 ATOM 59 NH2 ARG A 7 50.208 31.560 36.590 1.00 0.00 ATOM 60 O ARG A 7 45.170 25.929 33.131 1.00 0.00 ATOM 61 C ARG A 7 46.302 25.459 33.124 1.00 0.00 ATOM 62 N ILE A 8 46.690 24.552 32.240 1.00 0.00 ATOM 63 CA ILE A 8 45.751 24.018 31.269 1.00 0.00 ATOM 64 CB ILE A 8 46.458 23.170 30.211 1.00 0.00 ATOM 65 CG1 ILE A 8 47.299 24.053 29.277 1.00 0.00 ATOM 66 CG2 ILE A 8 45.457 22.353 29.416 1.00 0.00 ATOM 67 CD1 ILE A 8 46.503 25.095 28.477 1.00 0.00 ATOM 68 O ILE A 8 43.493 23.368 31.710 1.00 0.00 ATOM 69 C ILE A 8 44.680 23.224 31.996 1.00 0.00 ATOM 70 N ARG A 9 45.084 22.415 32.973 1.00 0.00 ATOM 71 CA ARG A 9 44.103 21.653 33.745 1.00 0.00 ATOM 72 CB ARG A 9 44.813 20.733 34.742 1.00 0.00 ATOM 73 CG ARG A 9 43.884 20.033 35.738 1.00 0.00 ATOM 74 CD ARG A 9 42.809 19.204 35.042 1.00 0.00 ATOM 75 NE ARG A 9 42.089 18.424 36.046 1.00 0.00 ATOM 76 CZ ARG A 9 41.188 17.475 35.792 1.00 0.00 ATOM 77 NH1 ARG A 9 40.853 17.167 34.552 1.00 0.00 ATOM 78 NH2 ARG A 9 40.619 16.821 36.800 1.00 0.00 ATOM 79 O ARG A 9 41.912 22.377 34.462 1.00 0.00 ATOM 80 C ARG A 9 43.123 22.597 34.465 1.00 0.00 ATOM 81 N LYS A 10 43.652 23.649 35.067 1.00 0.00 ATOM 82 CA LYS A 10 42.800 24.671 35.728 1.00 0.00 ATOM 83 CB LYS A 10 43.672 25.753 36.334 1.00 0.00 ATOM 84 CG LYS A 10 42.921 26.888 37.081 1.00 0.00 ATOM 85 CD LYS A 10 42.459 26.464 38.390 1.00 0.00 ATOM 86 CE LYS A 10 41.974 27.682 39.218 1.00 0.00 ATOM 87 NZ LYS A 10 41.974 27.378 40.652 1.00 0.00 ATOM 88 O LYS A 10 40.628 25.388 35.025 1.00 0.00 ATOM 89 C LYS A 10 41.810 25.290 34.727 1.00 0.00 ATOM 90 N ALA A 11 42.281 25.645 33.531 1.00 0.00 ATOM 91 CA ALA A 11 41.423 26.228 32.488 1.00 0.00 ATOM 92 CB ALA A 11 42.258 26.639 31.262 1.00 0.00 ATOM 93 O ALA A 11 39.110 25.679 32.049 1.00 0.00 ATOM 94 C ALA A 11 40.287 25.274 32.109 1.00 0.00 ATOM 95 N GLU A 12 40.633 23.992 31.935 1.00 0.00 ATOM 96 CA GLU A 12 39.675 22.935 31.583 1.00 0.00 ATOM 97 CB GLU A 12 40.403 21.600 31.353 1.00 0.00 ATOM 98 CG GLU A 12 41.212 21.579 30.087 1.00 0.00 ATOM 99 CD GLU A 12 42.137 20.376 30.006 1.00 0.00 ATOM 100 OE1 GLU A 12 42.721 19.980 31.036 1.00 0.00 ATOM 101 OE2 GLU A 12 42.267 19.822 28.909 1.00 0.00 ATOM 102 O GLU A 12 37.430 22.640 32.351 1.00 0.00 ATOM 103 C GLU A 12 38.618 22.740 32.658 1.00 0.00 ATOM 104 N LYS A 13 39.046 22.672 33.909 1.00 0.00 ATOM 105 CA LYS A 13 38.116 22.596 35.061 1.00 0.00 ATOM 106 CB LYS A 13 38.911 22.489 36.372 1.00 0.00 ATOM 107 CG LYS A 13 38.087 22.118 37.615 1.00 0.00 ATOM 108 CD LYS A 13 37.908 23.280 38.628 1.00 0.00 ATOM 109 CE LYS A 13 37.354 22.780 39.994 1.00 0.00 ATOM 110 NZ LYS A 13 36.016 22.079 39.869 1.00 0.00 ATOM 111 O LYS A 13 35.986 23.686 35.369 1.00 0.00 ATOM 112 C LYS A 13 37.184 23.814 35.131 1.00 0.00 ATOM 113 N LEU A 14 37.734 25.002 34.932 1.00 0.00 ATOM 114 CA LEU A 14 36.919 26.210 34.988 1.00 0.00 ATOM 115 CB LEU A 14 37.785 27.472 34.938 1.00 0.00 ATOM 116 CG LEU A 14 38.606 27.783 36.211 1.00 0.00 ATOM 117 CD1 LEU A 14 39.723 28.810 35.931 1.00 0.00 ATOM 118 CD2 LEU A 14 37.729 28.254 37.390 1.00 0.00 ATOM 119 O LEU A 14 34.726 26.608 34.125 1.00 0.00 ATOM 120 C LEU A 14 35.849 26.183 33.885 1.00 0.00 ATOM 121 N VAL A 15 36.188 25.693 32.695 1.00 0.00 ATOM 122 CA VAL A 15 35.202 25.607 31.590 1.00 0.00 ATOM 123 CB VAL A 15 35.798 25.085 30.254 1.00 0.00 ATOM 124 CG1 VAL A 15 34.689 24.824 29.236 1.00 0.00 ATOM 125 CG2 VAL A 15 36.797 26.091 29.685 1.00 0.00 ATOM 126 O VAL A 15 32.919 25.060 31.859 1.00 0.00 ATOM 127 C VAL A 15 34.060 24.704 32.025 1.00 0.00 ATOM 128 N GLN A 16 34.362 23.564 32.639 1.00 0.00 ATOM 129 CA GLN A 16 33.308 22.683 33.137 1.00 0.00 ATOM 130 CB GLN A 16 33.884 21.326 33.600 1.00 0.00 ATOM 131 CG GLN A 16 34.587 20.521 32.472 1.00 0.00 ATOM 132 CD GLN A 16 33.666 20.258 31.262 1.00 0.00 ATOM 133 OE1 GLN A 16 33.856 20.820 30.186 1.00 0.00 ATOM 134 NE2 GLN A 16 32.653 19.428 31.458 1.00 0.00 ATOM 135 O GLN A 16 31.256 23.236 34.261 1.00 0.00 ATOM 136 C GLN A 16 32.489 23.341 34.258 1.00 0.00 ATOM 137 N ASP A 17 33.156 24.018 35.195 1.00 0.00 ATOM 138 CA ASP A 17 32.446 24.750 36.248 1.00 0.00 ATOM 139 CB ASP A 17 33.423 25.479 37.204 1.00 0.00 ATOM 140 CG ASP A 17 34.137 24.543 38.191 1.00 0.00 ATOM 141 OD1 ASP A 17 33.940 23.318 38.132 1.00 0.00 ATOM 142 OD2 ASP A 17 34.900 25.066 39.048 1.00 0.00 ATOM 143 O ASP A 17 30.343 25.917 36.131 1.00 0.00 ATOM 144 C ASP A 17 31.471 25.782 35.650 1.00 0.00 ATOM 145 N ALA A 18 31.922 26.530 34.638 1.00 0.00 ATOM 146 CA ALA A 18 31.105 27.554 33.985 1.00 0.00 ATOM 147 CB ALA A 18 31.924 28.310 32.939 1.00 0.00 ATOM 148 O ALA A 18 28.802 27.518 33.358 1.00 0.00 ATOM 149 C ALA A 18 29.883 26.943 33.318 1.00 0.00 ATOM 150 N LYS A 19 30.067 25.791 32.681 1.00 0.00 ATOM 151 CA LYS A 19 28.947 25.066 32.085 1.00 0.00 ATOM 152 CB LYS A 19 29.433 23.801 31.390 1.00 0.00 ATOM 153 CG LYS A 19 30.204 24.063 30.079 1.00 0.00 ATOM 154 CD LYS A 19 30.657 22.749 29.453 1.00 0.00 ATOM 155 CE LYS A 19 31.424 22.950 28.169 1.00 0.00 ATOM 156 NZ LYS A 19 32.148 21.704 27.835 1.00 0.00 ATOM 157 O LYS A 19 26.686 24.960 32.912 1.00 0.00 ATOM 158 C LYS A 19 27.881 24.745 33.142 1.00 0.00 ATOM 159 N LYS A 20 28.319 24.289 34.309 1.00 0.00 ATOM 160 CA LYS A 20 27.399 23.975 35.408 1.00 0.00 ATOM 161 CB LYS A 20 28.131 23.218 36.520 1.00 0.00 ATOM 162 CG LYS A 20 28.580 21.814 36.117 1.00 0.00 ATOM 163 CD LYS A 20 29.388 21.179 37.251 1.00 0.00 ATOM 164 CE LYS A 20 30.141 19.909 36.827 1.00 0.00 ATOM 165 NZ LYS A 20 30.820 19.295 38.025 1.00 0.00 ATOM 166 O LYS A 20 25.532 25.138 36.369 1.00 0.00 ATOM 167 C LYS A 20 26.709 25.206 35.993 1.00 0.00 ATOM 168 N GLU A 21 27.448 26.305 36.134 1.00 0.00 ATOM 169 CA GLU A 21 26.840 27.579 36.530 1.00 0.00 ATOM 170 CB GLU A 21 27.905 28.669 36.690 1.00 0.00 ATOM 171 CG GLU A 21 28.730 28.468 37.968 1.00 0.00 ATOM 172 CD GLU A 21 29.994 29.320 38.020 1.00 0.00 ATOM 173 OE1 GLU A 21 30.579 29.661 36.959 1.00 0.00 ATOM 174 OE2 GLU A 21 30.427 29.606 39.147 1.00 0.00 ATOM 175 O GLU A 21 24.665 28.383 35.893 1.00 0.00 ATOM 176 C GLU A 21 25.774 27.984 35.513 1.00 0.00 ATOM 177 N PHE A 22 26.093 27.866 34.227 1.00 0.00 ATOM 178 CA PHE A 22 25.110 28.205 33.192 1.00 0.00 ATOM 179 CB PHE A 22 25.674 27.994 31.785 1.00 0.00 ATOM 180 CG PHE A 22 24.724 28.406 30.697 1.00 0.00 ATOM 181 CD1 PHE A 22 24.637 29.738 30.304 1.00 0.00 ATOM 182 CD2 PHE A 22 23.886 27.481 30.107 1.00 0.00 ATOM 183 CE1 PHE A 22 23.765 30.131 29.317 1.00 0.00 ATOM 184 CE2 PHE A 22 22.996 27.870 29.111 1.00 0.00 ATOM 185 CZ PHE A 22 22.940 29.192 28.716 1.00 0.00 ATOM 186 O PHE A 22 22.713 27.970 33.330 1.00 0.00 ATOM 187 C PHE A 22 23.804 27.409 33.374 1.00 0.00 ATOM 188 N GLU A 23 23.919 26.110 33.594 1.00 0.00 ATOM 189 CA GLU A 23 22.741 25.253 33.706 1.00 0.00 ATOM 190 CB GLU A 23 23.160 23.789 33.745 1.00 0.00 ATOM 191 CG GLU A 23 23.520 23.250 32.390 1.00 0.00 ATOM 192 CD GLU A 23 24.403 22.007 32.446 1.00 0.00 ATOM 193 OE1 GLU A 23 24.601 21.446 33.559 1.00 0.00 ATOM 194 OE2 GLU A 23 24.911 21.605 31.362 1.00 0.00 ATOM 195 O GLU A 23 20.672 25.454 34.891 1.00 0.00 ATOM 196 C GLU A 23 21.885 25.592 34.934 1.00 0.00 ATOM 197 N MET A 24 22.523 26.064 36.003 1.00 0.00 ATOM 198 CA MET A 24 21.822 26.485 37.224 1.00 0.00 ATOM 199 CB MET A 24 22.779 26.505 38.429 1.00 0.00 ATOM 200 CG MET A 24 22.952 25.181 39.168 1.00 0.00 ATOM 201 SD MET A 24 24.166 25.354 40.726 1.00 0.00 ATOM 202 CE MET A 24 25.795 25.647 39.733 1.00 0.00 ATOM 203 O MET A 24 20.523 28.366 37.942 1.00 0.00 ATOM 204 C MET A 24 21.207 27.880 37.059 1.00 0.00 ATOM 205 N GLY A 25 21.459 28.532 35.931 1.00 0.00 ATOM 206 CA GLY A 25 20.959 29.884 35.701 1.00 0.00 ATOM 207 O GLY A 25 21.331 32.119 36.446 1.00 0.00 ATOM 208 C GLY A 25 21.793 30.993 36.339 1.00 0.00 ATOM 209 N LEU A 26 23.020 30.681 36.747 1.00 0.00 ATOM 210 CA LEU A 26 23.918 31.671 37.350 1.00 0.00 ATOM 211 CB LEU A 26 24.828 31.008 38.388 1.00 0.00 ATOM 212 CG LEU A 26 24.154 30.210 39.513 1.00 0.00 ATOM 213 CD1 LEU A 26 25.226 29.734 40.539 1.00 0.00 ATOM 214 CD2 LEU A 26 23.093 31.055 40.181 1.00 0.00 ATOM 215 O LEU A 26 25.907 31.997 36.038 1.00 0.00 ATOM 216 C LEU A 26 24.739 32.321 36.245 1.00 0.00 ATOM 217 N TYR A 27 24.108 33.237 35.518 1.00 0.00 ATOM 218 CA TYR A 27 24.690 33.769 34.287 1.00 0.00 ATOM 219 CB TYR A 27 23.614 34.446 33.426 1.00 0.00 ATOM 220 CG TYR A 27 22.473 33.496 33.091 1.00 0.00 ATOM 221 CD1 TYR A 27 22.724 32.225 32.597 1.00 0.00 ATOM 222 CD2 TYR A 27 21.144 33.863 33.312 1.00 0.00 ATOM 223 CE1 TYR A 27 21.679 31.341 32.314 1.00 0.00 ATOM 224 CE2 TYR A 27 20.097 32.989 33.035 1.00 0.00 ATOM 225 CZ TYR A 27 20.372 31.737 32.532 1.00 0.00 ATOM 226 OH TYR A 27 19.341 30.873 32.261 1.00 0.00 ATOM 227 O TYR A 27 26.887 34.607 33.786 1.00 0.00 ATOM 228 C TYR A 27 25.892 34.682 34.524 1.00 0.00 ATOM 229 N GLU A 28 25.829 35.519 35.558 1.00 0.00 ATOM 230 CA GLU A 28 26.985 36.342 35.910 1.00 0.00 ATOM 231 CB GLU A 28 26.630 37.335 37.033 1.00 0.00 ATOM 232 CG GLU A 28 25.650 38.406 36.602 1.00 0.00 ATOM 233 CD GLU A 28 25.556 39.557 37.610 1.00 0.00 ATOM 234 OE1 GLU A 28 25.852 39.339 38.811 1.00 0.00 ATOM 235 OE2 GLU A 28 25.195 40.673 37.169 1.00 0.00 ATOM 236 O GLU A 28 29.315 35.768 36.003 1.00 0.00 ATOM 237 C GLU A 28 28.158 35.494 36.362 1.00 0.00 ATOM 238 N ARG A 29 27.882 34.480 37.175 1.00 0.00 ATOM 239 CA ARG A 29 28.958 33.634 37.719 1.00 0.00 ATOM 240 CB ARG A 29 28.453 32.632 38.773 1.00 0.00 ATOM 241 CG ARG A 29 27.739 33.142 40.041 1.00 0.00 ATOM 242 CD ARG A 29 28.074 34.558 40.475 1.00 0.00 ATOM 243 NE ARG A 29 29.485 34.734 40.579 1.00 0.00 ATOM 244 CZ ARG A 29 30.156 35.833 40.247 1.00 0.00 ATOM 245 NH1 ARG A 29 29.546 36.951 39.813 1.00 0.00 ATOM 246 NH2 ARG A 29 31.469 35.792 40.371 1.00 0.00 ATOM 247 O ARG A 29 30.837 32.751 36.507 1.00 0.00 ATOM 248 C ARG A 29 29.622 32.860 36.559 1.00 0.00 ATOM 249 N CYS A 30 28.808 32.364 35.626 1.00 0.00 ATOM 250 CA CYS A 30 29.283 31.722 34.406 1.00 0.00 ATOM 251 CB CYS A 30 28.101 31.393 33.471 1.00 0.00 ATOM 252 SG CYS A 30 28.597 30.659 31.877 1.00 0.00 ATOM 253 O CYS A 30 31.377 32.106 33.284 1.00 0.00 ATOM 254 C CYS A 30 30.291 32.587 33.649 1.00 0.00 ATOM 255 N CYS A 31 29.942 33.854 33.407 1.00 0.00 ATOM 256 CA CYS A 31 30.825 34.766 32.678 1.00 0.00 ATOM 257 CB CYS A 31 30.157 36.131 32.480 1.00 0.00 ATOM 258 SG CYS A 31 28.736 36.045 31.374 1.00 0.00 ATOM 259 O CYS A 31 33.221 34.947 32.743 1.00 0.00 ATOM 260 C CYS A 31 32.168 34.964 33.379 1.00 0.00 ATOM 261 N SER A 32 32.120 35.163 34.686 1.00 0.00 ATOM 262 CA SER A 32 33.342 35.348 35.481 1.00 0.00 ATOM 263 CB SER A 32 32.992 35.735 36.922 1.00 0.00 ATOM 264 OG SER A 32 34.114 35.511 37.763 1.00 0.00 ATOM 265 O SER A 32 35.415 34.190 35.084 1.00 0.00 ATOM 266 C SER A 32 34.224 34.097 35.404 1.00 0.00 ATOM 267 N THR A 33 33.632 32.921 35.605 1.00 0.00 ATOM 268 CA THR A 33 34.384 31.644 35.529 1.00 0.00 ATOM 269 CB THR A 33 33.472 30.492 35.936 1.00 0.00 ATOM 270 CG2 THR A 33 34.199 29.158 35.999 1.00 0.00 ATOM 271 OG1 THR A 33 32.950 30.792 37.215 1.00 0.00 ATOM 272 O THR A 33 36.158 30.887 34.044 1.00 0.00 ATOM 273 C THR A 33 34.998 31.357 34.150 1.00 0.00 ATOM 274 N ALA A 34 34.209 31.609 33.110 1.00 0.00 ATOM 275 CA ALA A 34 34.641 31.495 31.722 1.00 0.00 ATOM 276 CB ALA A 34 33.467 31.806 30.730 1.00 0.00 ATOM 277 O ALA A 34 36.740 31.996 30.723 1.00 0.00 ATOM 278 C ALA A 34 35.811 32.403 31.424 1.00 0.00 ATOM 279 N TYR A 35 35.793 33.631 31.944 1.00 0.00 ATOM 280 CA TYR A 35 36.954 34.500 31.773 1.00 0.00 ATOM 281 CB TYR A 35 36.711 35.936 32.281 1.00 0.00 ATOM 282 CG TYR A 35 38.034 36.644 32.315 1.00 0.00 ATOM 283 CD1 TYR A 35 38.711 36.930 31.131 1.00 0.00 ATOM 284 CD2 TYR A 35 38.673 36.905 33.511 1.00 0.00 ATOM 285 CE1 TYR A 35 39.954 37.490 31.147 1.00 0.00 ATOM 286 CE2 TYR A 35 39.925 37.480 33.535 1.00 0.00 ATOM 287 CZ TYR A 35 40.560 37.772 32.343 1.00 0.00 ATOM 288 OH TYR A 35 41.807 38.336 32.368 1.00 0.00 ATOM 289 O TYR A 35 39.319 33.892 31.927 1.00 0.00 ATOM 290 C TYR A 35 38.199 33.902 32.475 1.00 0.00 ATOM 291 N TYR A 36 38.024 33.421 33.695 1.00 0.00 ATOM 292 CA TYR A 36 39.139 32.788 34.390 1.00 0.00 ATOM 293 CB TYR A 36 38.760 32.460 35.838 1.00 0.00 ATOM 294 CG TYR A 36 38.922 33.726 36.611 1.00 0.00 ATOM 295 CD1 TYR A 36 40.197 34.245 36.783 1.00 0.00 ATOM 296 CD2 TYR A 36 37.856 34.485 37.022 1.00 0.00 ATOM 297 CE1 TYR A 36 40.409 35.418 37.398 1.00 0.00 ATOM 298 CE2 TYR A 36 38.070 35.704 37.668 1.00 0.00 ATOM 299 CZ TYR A 36 39.363 36.154 37.832 1.00 0.00 ATOM 300 OH TYR A 36 39.692 37.336 38.450 1.00 0.00 ATOM 301 O TYR A 36 40.970 31.436 33.601 1.00 0.00 ATOM 302 C TYR A 36 39.746 31.606 33.628 1.00 0.00 ATOM 303 N ALA A 37 38.904 30.817 32.987 1.00 0.00 ATOM 304 CA ALA A 37 39.394 29.701 32.198 1.00 0.00 ATOM 305 CB ALA A 37 38.218 28.913 31.587 1.00 0.00 ATOM 306 O ALA A 37 41.421 29.755 30.899 1.00 0.00 ATOM 307 C ALA A 37 40.311 30.242 31.108 1.00 0.00 ATOM 308 N MET A 38 39.852 31.278 30.436 1.00 0.00 ATOM 309 CA MET A 38 40.633 31.886 29.365 1.00 0.00 ATOM 310 CB MET A 38 39.769 32.905 28.629 1.00 0.00 ATOM 311 CG MET A 38 38.604 32.224 27.917 1.00 0.00 ATOM 312 SD MET A 38 37.321 33.523 27.201 1.00 0.00 ATOM 313 CE MET A 38 38.200 33.890 25.987 1.00 0.00 ATOM 314 O MET A 38 42.957 32.488 29.166 1.00 0.00 ATOM 315 C MET A 38 41.925 32.542 29.845 1.00 0.00 ATOM 316 N PHE A 39 41.854 33.197 30.989 1.00 0.00 ATOM 317 CA PHE A 39 43.034 33.743 31.668 1.00 0.00 ATOM 318 CB PHE A 39 42.624 34.343 33.035 1.00 0.00 ATOM 319 CG PHE A 39 43.801 34.838 33.859 1.00 0.00 ATOM 320 CD1 PHE A 39 44.369 36.076 33.607 1.00 0.00 ATOM 321 CD2 PHE A 39 44.361 34.041 34.828 1.00 0.00 ATOM 322 CE1 PHE A 39 45.459 36.523 34.345 1.00 0.00 ATOM 323 CE2 PHE A 39 45.458 34.477 35.574 1.00 0.00 ATOM 324 CZ PHE A 39 46.004 35.721 35.327 1.00 0.00 ATOM 325 O PHE A 39 45.290 32.900 31.494 1.00 0.00 ATOM 326 C PHE A 39 44.122 32.700 31.881 1.00 0.00 ATOM 327 N HIS A 40 43.762 31.582 32.498 1.00 0.00 ATOM 328 CA HIS A 40 44.761 30.533 32.721 1.00 0.00 ATOM 329 CB HIS A 40 44.211 29.442 33.623 1.00 0.00 ATOM 330 CG HIS A 40 44.106 29.871 35.050 1.00 0.00 ATOM 331 CD2 HIS A 40 43.062 30.350 35.772 1.00 0.00 ATOM 332 ND1 HIS A 40 45.189 29.861 35.897 1.00 0.00 ATOM 333 CE1 HIS A 40 44.817 30.311 37.084 1.00 0.00 ATOM 334 NE2 HIS A 40 43.535 30.630 37.031 1.00 0.00 ATOM 335 O HIS A 40 46.472 29.621 31.302 1.00 0.00 ATOM 336 C HIS A 40 45.287 29.960 31.405 1.00 0.00 ATOM 337 N ALA A 41 44.411 29.832 30.408 1.00 0.00 ATOM 338 CA ALA A 41 44.828 29.342 29.100 1.00 0.00 ATOM 339 CB ALA A 41 43.587 29.118 28.171 1.00 0.00 ATOM 340 O ALA A 41 46.863 29.899 27.903 1.00 0.00 ATOM 341 C ALA A 41 45.828 30.320 28.458 1.00 0.00 ATOM 342 N ALA A 42 45.537 31.619 28.557 1.00 0.00 ATOM 343 CA ALA A 42 46.444 32.673 28.074 1.00 0.00 ATOM 344 CB ALA A 42 45.805 34.068 28.256 1.00 0.00 ATOM 345 O ALA A 42 48.842 32.622 28.117 1.00 0.00 ATOM 346 C ALA A 42 47.807 32.616 28.778 1.00 0.00 ATOM 347 N LYS A 43 47.798 32.531 30.108 1.00 0.00 ATOM 348 CA LYS A 43 49.024 32.398 30.893 1.00 0.00 ATOM 349 CB LYS A 43 48.737 32.377 32.394 1.00 0.00 ATOM 350 CG LYS A 43 48.110 33.672 32.942 1.00 0.00 ATOM 351 CD LYS A 43 49.108 34.822 33.063 1.00 0.00 ATOM 352 CE LYS A 43 50.055 34.580 34.231 1.00 0.00 ATOM 353 NZ LYS A 43 50.901 35.758 34.544 1.00 0.00 ATOM 354 O LYS A 43 51.060 31.204 30.436 1.00 0.00 ATOM 355 C LYS A 43 49.822 31.157 30.488 1.00 0.00 ATOM 356 N ALA A 44 49.124 30.062 30.165 1.00 0.00 ATOM 357 CA ALA A 44 49.797 28.843 29.708 1.00 0.00 ATOM 358 CB ALA A 44 48.796 27.697 29.571 1.00 0.00 ATOM 359 O ALA A 44 51.664 28.687 28.200 1.00 0.00 ATOM 360 C ALA A 44 50.510 29.095 28.379 1.00 0.00 ATOM 361 N MET A 45 49.828 29.770 27.453 1.00 0.00 ATOM 362 CA MET A 45 50.417 30.072 26.148 1.00 0.00 ATOM 363 CB MET A 45 49.407 30.707 25.204 1.00 0.00 ATOM 364 CG MET A 45 48.472 29.718 24.563 1.00 0.00 ATOM 365 SD MET A 45 47.282 30.500 23.283 1.00 0.00 ATOM 366 CE MET A 45 46.052 31.382 24.531 1.00 0.00 ATOM 367 O MET A 45 52.625 30.800 25.572 1.00 0.00 ATOM 368 C MET A 45 51.624 30.991 26.273 1.00 0.00 ATOM 369 N LEU A 46 51.533 31.991 27.145 1.00 0.00 ATOM 370 CA LEU A 46 52.650 32.918 27.369 1.00 0.00 ATOM 371 CB LEU A 46 52.203 34.129 28.205 1.00 0.00 ATOM 372 CG LEU A 46 51.191 35.093 27.569 1.00 0.00 ATOM 373 CD1 LEU A 46 50.879 36.239 28.536 1.00 0.00 ATOM 374 CD2 LEU A 46 51.668 35.640 26.246 1.00 0.00 ATOM 375 O LEU A 46 54.993 32.440 27.631 1.00 0.00 ATOM 376 C LEU A 46 53.844 32.213 28.018 1.00 0.00 ATOM 377 N LEU A 47 53.569 31.334 28.974 1.00 0.00 ATOM 378 CA LEU A 47 54.604 30.542 29.634 1.00 0.00 ATOM 379 CB LEU A 47 53.961 29.629 30.679 1.00 0.00 ATOM 380 CG LEU A 47 54.803 28.592 31.419 1.00 0.00 ATOM 381 CD1 LEU A 47 55.975 29.243 32.136 1.00 0.00 ATOM 382 CD2 LEU A 47 53.905 27.867 32.413 1.00 0.00 ATOM 383 O LEU A 47 56.583 29.779 28.511 1.00 0.00 ATOM 384 C LEU A 47 55.356 29.702 28.612 1.00 0.00 ATOM 385 N GLY A 48 54.595 28.923 27.840 1.00 0.00 ATOM 386 CA GLY A 48 55.138 28.005 26.840 1.00 0.00 ATOM 387 O GLY A 48 56.865 28.088 25.192 1.00 0.00 ATOM 388 C GLY A 48 55.967 28.700 25.782 1.00 0.00 ATOM 389 N TYR A 49 55.662 29.976 25.537 1.00 0.00 ATOM 390 CA TYR A 49 56.399 30.791 24.575 1.00 0.00 ATOM 391 CB TYR A 49 55.429 31.386 23.548 1.00 0.00 ATOM 392 CG TYR A 49 54.808 30.353 22.619 1.00 0.00 ATOM 393 CD1 TYR A 49 53.863 29.439 23.092 1.00 0.00 ATOM 394 CD2 TYR A 49 55.154 30.301 21.263 1.00 0.00 ATOM 395 CE1 TYR A 49 53.278 28.502 22.252 1.00 0.00 ATOM 396 CE2 TYR A 49 54.574 29.358 20.404 1.00 0.00 ATOM 397 CZ TYR A 49 53.636 28.460 20.909 1.00 0.00 ATOM 398 OH TYR A 49 53.050 27.520 20.087 1.00 0.00 ATOM 399 O TYR A 49 57.298 33.015 24.799 1.00 0.00 ATOM 400 C TYR A 49 57.214 31.885 25.277 1.00 0.00 ATOM 401 N GLY A 50 57.795 31.542 26.427 1.00 0.00 ATOM 402 CA GLY A 50 58.780 32.392 27.104 1.00 0.00 ATOM 403 O GLY A 50 59.290 34.645 27.702 1.00 0.00 ATOM 404 C GLY A 50 58.410 33.831 27.436 1.00 0.00 ATOM 405 N ARG A 51 57.116 34.146 27.438 1.00 0.00 ATOM 406 CA ARG A 51 56.625 35.470 27.835 1.00 0.00 ATOM 407 CB ARG A 51 55.582 35.964 26.832 1.00 0.00 ATOM 408 CG ARG A 51 56.104 36.179 25.412 1.00 0.00 ATOM 409 CD ARG A 51 56.859 37.496 25.283 1.00 0.00 ATOM 410 NE ARG A 51 56.840 38.019 23.913 1.00 0.00 ATOM 411 CZ ARG A 51 57.142 39.275 23.572 1.00 0.00 ATOM 412 NH1 ARG A 51 57.495 40.172 24.494 1.00 0.00 ATOM 413 NH2 ARG A 51 57.085 39.644 22.295 1.00 0.00 ATOM 414 O ARG A 51 55.692 34.294 29.707 1.00 0.00 ATOM 415 C ARG A 51 56.003 35.383 29.231 1.00 0.00 ATOM 416 N ASP A 52 55.825 36.524 29.889 1.00 0.00 ATOM 417 CA ASP A 52 55.155 36.561 31.193 1.00 0.00 ATOM 418 CB ASP A 52 56.153 36.317 32.338 1.00 0.00 ATOM 419 CG ASP A 52 55.463 36.119 33.699 1.00 0.00 ATOM 420 OD1 ASP A 52 54.529 35.290 33.795 1.00 0.00 ATOM 421 OD2 ASP A 52 55.849 36.800 34.672 1.00 0.00 ATOM 422 O ASP A 52 54.751 38.897 30.780 1.00 0.00 ATOM 423 C ASP A 52 54.416 37.887 31.398 1.00 0.00 ATOM 424 N SER A 53 53.410 37.854 32.272 1.00 0.00 ATOM 425 CA SER A 53 52.562 39.000 32.577 1.00 0.00 ATOM 426 CB SER A 53 51.257 38.874 31.793 1.00 0.00 ATOM 427 OG SER A 53 50.556 37.702 32.190 1.00 0.00 ATOM 428 O SER A 53 52.414 38.011 34.752 1.00 0.00 ATOM 429 C SER A 53 52.251 39.024 34.071 1.00 0.00 ATOM 430 N LYS A 54 51.808 40.176 34.576 1.00 0.00 ATOM 431 CA LYS A 54 51.398 40.314 35.982 1.00 0.00 ATOM 432 CB LYS A 54 52.500 41.025 36.790 1.00 0.00 ATOM 433 CG LYS A 54 53.925 40.699 36.286 1.00 0.00 ATOM 434 CD LYS A 54 55.040 41.401 37.056 1.00 0.00 ATOM 435 CE LYS A 54 56.395 41.214 36.348 1.00 0.00 ATOM 436 NZ LYS A 54 57.546 41.570 37.224 1.00 0.00 ATOM 437 O LYS A 54 49.613 41.307 37.265 1.00 0.00 ATOM 438 C LYS A 54 50.042 41.033 36.143 1.00 0.00 ATOM 439 N THR A 55 49.357 41.312 35.032 1.00 0.00 ATOM 440 CA THR A 55 48.059 41.984 35.060 1.00 0.00 ATOM 441 CB THR A 55 48.210 43.507 34.817 1.00 0.00 ATOM 442 CG2 THR A 55 49.143 44.167 35.842 1.00 0.00 ATOM 443 OG1 THR A 55 48.716 43.747 33.499 1.00 0.00 ATOM 444 O THR A 55 47.618 40.847 32.985 1.00 0.00 ATOM 445 C THR A 55 47.142 41.402 33.987 1.00 0.00 ATOM 446 N HIS A 56 45.831 41.530 34.177 1.00 0.00 ATOM 447 CA HIS A 56 44.867 41.116 33.150 1.00 0.00 ATOM 448 CB HIS A 56 43.441 41.410 33.599 1.00 0.00 ATOM 449 CG HIS A 56 43.000 40.601 34.776 1.00 0.00 ATOM 450 CD2 HIS A 56 42.787 40.952 36.069 1.00 0.00 ATOM 451 ND1 HIS A 56 42.705 39.258 34.685 1.00 0.00 ATOM 452 CE1 HIS A 56 42.353 38.810 35.880 1.00 0.00 ATOM 453 NE2 HIS A 56 42.389 39.817 36.736 1.00 0.00 ATOM 454 O HIS A 56 45.162 41.256 30.767 1.00 0.00 ATOM 455 C HIS A 56 45.114 41.854 31.838 1.00 0.00 ATOM 456 N ARG A 57 45.228 43.175 31.926 1.00 0.00 ATOM 457 CA ARG A 57 45.422 43.964 30.725 1.00 0.00 ATOM 458 CB ARG A 57 45.270 45.464 30.996 1.00 0.00 ATOM 459 CG ARG A 57 43.845 45.845 31.353 1.00 0.00 ATOM 460 CD ARG A 57 43.687 47.314 31.683 1.00 0.00 ATOM 461 NE ARG A 57 44.092 48.129 30.536 1.00 0.00 ATOM 462 CZ ARG A 57 45.247 48.779 30.427 1.00 0.00 ATOM 463 NH1 ARG A 57 46.143 48.770 31.410 1.00 0.00 ATOM 464 NH2 ARG A 57 45.496 49.460 29.320 1.00 0.00 ATOM 465 O ARG A 57 46.824 43.389 28.903 1.00 0.00 ATOM 466 C ARG A 57 46.759 43.605 30.097 1.00 0.00 ATOM 467 N GLY A 58 47.816 43.491 30.897 1.00 0.00 ATOM 468 CA GLY A 58 49.115 43.064 30.356 1.00 0.00 ATOM 469 O GLY A 58 49.576 41.587 28.515 1.00 0.00 ATOM 470 C GLY A 58 49.049 41.731 29.620 1.00 0.00 ATOM 471 N THR A 59 48.384 40.752 30.231 1.00 0.00 ATOM 472 CA THR A 59 48.198 39.444 29.610 1.00 0.00 ATOM 473 CB THR A 59 47.450 38.497 30.560 1.00 0.00 ATOM 474 CG2 THR A 59 47.350 37.110 29.967 1.00 0.00 ATOM 475 OG1 THR A 59 48.144 38.443 31.818 1.00 0.00 ATOM 476 O THR A 59 47.890 38.963 27.271 1.00 0.00 ATOM 477 C THR A 59 47.462 39.545 28.283 1.00 0.00 ATOM 478 N ILE A 60 46.366 40.296 28.270 1.00 0.00 ATOM 479 CA ILE A 60 45.561 40.452 27.056 1.00 0.00 ATOM 480 CB ILE A 60 44.255 41.261 27.344 1.00 0.00 ATOM 481 CG1 ILE A 60 43.340 40.478 28.318 1.00 0.00 ATOM 482 CG2 ILE A 60 43.516 41.556 26.033 1.00 0.00 ATOM 483 CD1 ILE A 60 42.399 41.343 29.204 1.00 0.00 ATOM 484 O ILE A 60 46.331 40.641 24.746 1.00 0.00 ATOM 485 C ILE A 60 46.380 41.087 25.909 1.00 0.00 ATOM 486 N TYR A 61 47.154 42.118 26.223 1.00 0.00 ATOM 487 CA TYR A 61 47.933 42.774 25.163 1.00 0.00 ATOM 488 CB TYR A 61 48.397 44.170 25.596 1.00 0.00 ATOM 489 CG TYR A 61 47.308 45.231 25.462 1.00 0.00 ATOM 490 CD1 TYR A 61 46.966 45.742 24.225 1.00 0.00 ATOM 491 CD2 TYR A 61 46.605 45.671 26.568 1.00 0.00 ATOM 492 CE1 TYR A 61 45.974 46.702 24.096 1.00 0.00 ATOM 493 CE2 TYR A 61 45.618 46.629 26.462 1.00 0.00 ATOM 494 CZ TYR A 61 45.303 47.134 25.206 1.00 0.00 ATOM 495 OH TYR A 61 44.325 48.087 25.080 1.00 0.00 ATOM 496 O TYR A 61 49.376 41.928 23.446 1.00 0.00 ATOM 497 C TYR A 61 49.086 41.900 24.635 1.00 0.00 ATOM 498 N LEU A 62 49.715 41.111 25.503 1.00 0.00 ATOM 499 CA LEU A 62 50.755 40.156 25.079 1.00 0.00 ATOM 500 CB LEU A 62 51.439 39.513 26.291 1.00 0.00 ATOM 501 CG LEU A 62 52.565 40.314 26.934 1.00 0.00 ATOM 502 CD1 LEU A 62 52.853 39.794 28.357 1.00 0.00 ATOM 503 CD2 LEU A 62 53.809 40.275 26.056 1.00 0.00 ATOM 504 O LEU A 62 50.825 38.695 23.168 1.00 0.00 ATOM 505 C LEU A 62 50.200 39.068 24.172 1.00 0.00 ATOM 506 N ILE A 63 49.021 38.556 24.510 1.00 0.00 ATOM 507 CA ILE A 63 48.334 37.619 23.628 1.00 0.00 ATOM 508 CB ILE A 63 47.005 37.110 24.236 1.00 0.00 ATOM 509 CG1 ILE A 63 47.299 36.148 25.394 1.00 0.00 ATOM 510 CG2 ILE A 63 46.152 36.412 23.152 1.00 0.00 ATOM 511 CD1 ILE A 63 48.057 34.855 24.987 1.00 0.00 ATOM 512 O ILE A 63 48.363 37.637 21.211 1.00 0.00 ATOM 513 C ILE A 63 48.088 38.251 22.248 1.00 0.00 ATOM 514 N TRP A 64 47.580 39.481 22.236 1.00 0.00 ATOM 515 CA TRP A 64 47.431 40.217 20.983 1.00 0.00 ATOM 516 CB TRP A 64 46.908 41.632 21.235 1.00 0.00 ATOM 517 CG TRP A 64 45.419 41.721 21.264 1.00 0.00 ATOM 518 CD1 TRP A 64 44.610 41.817 22.370 1.00 0.00 ATOM 519 CD2 TRP A 64 44.547 41.723 20.130 1.00 0.00 ATOM 520 CE2 TRP A 64 43.224 41.828 20.619 1.00 0.00 ATOM 521 CE3 TRP A 64 44.754 41.650 18.749 1.00 0.00 ATOM 522 NE1 TRP A 64 43.293 41.892 21.987 1.00 0.00 ATOM 523 CZ2 TRP A 64 42.115 41.861 19.771 1.00 0.00 ATOM 524 CZ3 TRP A 64 43.650 41.665 17.906 1.00 0.00 ATOM 525 CH2 TRP A 64 42.348 41.778 18.421 1.00 0.00 ATOM 526 O TRP A 64 48.834 39.868 19.066 1.00 0.00 ATOM 527 C TRP A 64 48.760 40.275 20.220 1.00 0.00 ATOM 528 N GLU A 65 49.803 40.753 20.894 1.00 0.00 ATOM 529 CA GLU A 65 51.122 40.920 20.280 1.00 0.00 ATOM 530 CB GLU A 65 52.122 41.510 21.296 1.00 0.00 ATOM 531 CG GLU A 65 51.861 42.986 21.622 1.00 0.00 ATOM 532 CD GLU A 65 52.733 43.519 22.769 1.00 0.00 ATOM 533 OE1 GLU A 65 53.948 43.196 22.796 1.00 0.00 ATOM 534 OE2 GLU A 65 52.212 44.277 23.619 1.00 0.00 ATOM 535 O GLU A 65 52.215 39.624 18.594 1.00 0.00 ATOM 536 C GLU A 65 51.665 39.622 19.700 1.00 0.00 ATOM 537 N CYS A 66 51.495 38.521 20.433 1.00 0.00 ATOM 538 CA CYS A 66 51.988 37.217 19.995 1.00 0.00 ATOM 539 CB CYS A 66 52.458 36.421 21.203 1.00 0.00 ATOM 540 SG CYS A 66 53.591 37.289 22.270 1.00 0.00 ATOM 541 O CYS A 66 51.254 35.147 19.034 1.00 0.00 ATOM 542 C CYS A 66 51.008 36.350 19.201 1.00 0.00 ATOM 543 N ARG A 67 49.928 36.916 18.675 1.00 0.00 ATOM 544 CA ARG A 67 48.859 36.069 18.121 1.00 0.00 ATOM 545 CB ARG A 67 47.630 36.906 17.742 1.00 0.00 ATOM 546 CG ARG A 67 47.808 37.921 16.631 1.00 0.00 ATOM 547 CD ARG A 67 46.545 38.763 16.525 1.00 0.00 ATOM 548 NE ARG A 67 46.599 39.787 15.482 1.00 0.00 ATOM 549 CZ ARG A 67 47.246 40.949 15.585 1.00 0.00 ATOM 550 NH1 ARG A 67 47.961 41.253 16.656 1.00 0.00 ATOM 551 NH2 ARG A 67 47.212 41.805 14.577 1.00 0.00 ATOM 552 O ARG A 67 48.900 33.983 16.877 1.00 0.00 ATOM 553 C ARG A 67 49.297 35.164 16.968 1.00 0.00 ATOM 554 N GLU A 68 50.125 35.715 16.086 1.00 0.00 ATOM 555 CA GLU A 68 50.542 34.993 14.894 1.00 0.00 ATOM 556 CB GLU A 68 51.438 35.871 14.029 1.00 0.00 ATOM 557 CG GLU A 68 50.802 37.208 13.623 1.00 0.00 ATOM 558 CD GLU A 68 50.047 37.137 12.305 1.00 0.00 ATOM 559 OE1 GLU A 68 50.690 36.865 11.264 1.00 0.00 ATOM 560 OE2 GLU A 68 48.815 37.369 12.311 1.00 0.00 ATOM 561 O GLU A 68 50.929 32.642 14.879 1.00 0.00 ATOM 562 C GLU A 68 51.275 33.726 15.313 1.00 0.00 ATOM 563 N GLU A 69 52.260 33.882 16.190 1.00 0.00 ATOM 564 CA GLU A 69 53.040 32.763 16.702 1.00 0.00 ATOM 565 CB GLU A 69 54.111 33.263 17.671 1.00 0.00 ATOM 566 CG GLU A 69 55.032 34.357 17.119 1.00 0.00 ATOM 567 CD GLU A 69 54.567 35.768 17.480 1.00 0.00 ATOM 568 OE1 GLU A 69 53.600 36.248 16.843 1.00 0.00 ATOM 569 OE2 GLU A 69 55.158 36.383 18.404 1.00 0.00 ATOM 570 O GLU A 69 52.490 30.551 17.439 1.00 0.00 ATOM 571 C GLU A 69 52.183 31.742 17.439 1.00 0.00 ATOM 572 N LEU A 70 51.126 32.216 18.102 1.00 0.00 ATOM 573 CA LEU A 70 50.268 31.356 18.914 1.00 0.00 ATOM 574 CB LEU A 70 49.641 32.189 20.048 1.00 0.00 ATOM 575 CG LEU A 70 50.631 32.624 21.127 1.00 0.00 ATOM 576 CD1 LEU A 70 49.969 33.547 22.147 1.00 0.00 ATOM 577 CD2 LEU A 70 51.209 31.405 21.805 1.00 0.00 ATOM 578 O LEU A 70 48.508 29.741 18.625 1.00 0.00 ATOM 579 C LEU A 70 49.173 30.653 18.115 1.00 0.00 ATOM 580 N GLY A 71 48.977 31.068 16.865 1.00 0.00 ATOM 581 CA GLY A 71 47.930 30.498 16.033 1.00 0.00 ATOM 582 O GLY A 71 45.555 30.334 16.060 1.00 0.00 ATOM 583 C GLY A 71 46.543 31.007 16.355 1.00 0.00 ATOM 584 N LEU A 72 46.469 32.201 16.953 1.00 0.00 ATOM 585 CA LEU A 72 45.206 32.824 17.319 1.00 0.00 ATOM 586 CB LEU A 72 45.344 33.566 18.656 1.00 0.00 ATOM 587 CG LEU A 72 45.753 32.704 19.849 1.00 0.00 ATOM 588 CD1 LEU A 72 46.026 33.581 21.074 1.00 0.00 ATOM 589 CD2 LEU A 72 44.677 31.649 20.123 1.00 0.00 ATOM 590 O LEU A 72 45.617 34.628 15.832 1.00 0.00 ATOM 591 C LEU A 72 44.799 33.830 16.269 1.00 0.00 ATOM 592 N SER A 73 43.526 33.818 15.890 1.00 0.00 ATOM 593 CA SER A 73 42.988 34.855 15.032 1.00 0.00 ATOM 594 CB SER A 73 41.673 34.387 14.422 1.00 0.00 ATOM 595 OG SER A 73 40.664 34.267 15.424 1.00 0.00 ATOM 596 O SER A 73 42.681 36.119 17.057 1.00 0.00 ATOM 597 C SER A 73 42.735 36.121 15.817 1.00 0.00 ATOM 598 N ASP A 74 42.526 37.209 15.092 1.00 0.00 ATOM 599 CA ASP A 74 42.106 38.437 15.726 1.00 0.00 ATOM 600 CB ASP A 74 41.875 39.546 14.703 1.00 0.00 ATOM 601 CG ASP A 74 43.163 40.016 14.032 1.00 0.00 ATOM 602 OD1 ASP A 74 44.232 39.393 14.222 1.00 0.00 ATOM 603 OD2 ASP A 74 43.090 41.031 13.306 1.00 0.00 ATOM 604 O ASP A 74 40.716 38.729 17.635 1.00 0.00 ATOM 605 C ASP A 74 40.828 38.206 16.539 1.00 0.00 ATOM 606 N ASP A 75 39.878 37.426 16.015 1.00 0.00 ATOM 607 CA ASP A 75 38.646 37.162 16.764 1.00 0.00 ATOM 608 CB ASP A 75 37.611 36.336 15.986 1.00 0.00 ATOM 609 CG ASP A 75 36.249 36.258 16.731 1.00 0.00 ATOM 610 OD1 ASP A 75 36.024 35.338 17.554 1.00 0.00 ATOM 611 OD2 ASP A 75 35.412 37.163 16.542 1.00 0.00 ATOM 612 O ASP A 75 38.407 36.802 19.099 1.00 0.00 ATOM 613 C ASP A 75 38.961 36.446 18.074 1.00 0.00 ATOM 614 N ASP A 76 39.839 35.444 18.029 1.00 0.00 ATOM 615 CA ASP A 76 40.261 34.756 19.245 1.00 0.00 ATOM 616 CB ASP A 76 41.327 33.704 18.961 1.00 0.00 ATOM 617 CG ASP A 76 40.823 32.560 18.108 1.00 0.00 ATOM 618 OD1 ASP A 76 39.628 32.180 18.181 1.00 0.00 ATOM 619 OD2 ASP A 76 41.658 32.023 17.364 1.00 0.00 ATOM 620 O ASP A 76 40.503 35.610 21.475 1.00 0.00 ATOM 621 C ASP A 76 40.793 35.741 20.279 1.00 0.00 ATOM 622 N CYS A 77 41.565 36.737 19.833 1.00 0.00 ATOM 623 CA CYS A 77 42.113 37.709 20.780 1.00 0.00 ATOM 624 CB CYS A 77 43.249 38.535 20.169 1.00 0.00 ATOM 625 SG CYS A 77 44.638 37.523 19.689 1.00 0.00 ATOM 626 O CYS A 77 41.012 38.984 22.481 1.00 0.00 ATOM 627 C CYS A 77 41.006 38.611 21.306 1.00 0.00 ATOM 628 N SER A 78 40.050 38.948 20.447 1.00 0.00 ATOM 629 CA SER A 78 38.880 39.700 20.881 1.00 0.00 ATOM 630 CB SER A 78 38.085 40.165 19.667 1.00 0.00 ATOM 631 OG SER A 78 38.867 41.083 18.926 1.00 0.00 ATOM 632 O SER A 78 37.338 39.543 22.713 1.00 0.00 ATOM 633 C SER A 78 37.975 38.928 21.850 1.00 0.00 ATOM 634 N LYS A 79 37.916 37.599 21.707 1.00 0.00 ATOM 635 CA LYS A 79 37.197 36.748 22.669 1.00 0.00 ATOM 636 CB LYS A 79 37.403 35.260 22.362 1.00 0.00 ATOM 637 CG LYS A 79 36.720 34.708 21.099 1.00 0.00 ATOM 638 CD LYS A 79 36.923 33.171 21.028 1.00 0.00 ATOM 639 CE LYS A 79 36.372 32.539 19.744 1.00 0.00 ATOM 640 NZ LYS A 79 37.029 33.044 18.490 1.00 0.00 ATOM 641 O LYS A 79 36.895 37.245 25.019 1.00 0.00 ATOM 642 C LYS A 79 37.697 37.051 24.101 1.00 0.00 ATOM 643 N LEU A 80 39.022 37.108 24.270 1.00 0.00 ATOM 644 CA LEU A 80 39.635 37.341 25.595 1.00 0.00 ATOM 645 CB LEU A 80 41.137 37.106 25.537 1.00 0.00 ATOM 646 CG LEU A 80 41.973 37.151 26.818 1.00 0.00 ATOM 647 CD1 LEU A 80 41.537 36.090 27.818 1.00 0.00 ATOM 648 CD2 LEU A 80 43.458 37.004 26.454 1.00 0.00 ATOM 649 O LEU A 80 39.014 38.892 27.297 1.00 0.00 ATOM 650 C LEU A 80 39.344 38.737 26.119 1.00 0.00 ATOM 651 N SER A 81 39.459 39.749 25.254 1.00 0.00 ATOM 652 CA SER A 81 39.226 41.147 25.661 1.00 0.00 ATOM 653 CB SER A 81 39.475 42.123 24.501 1.00 0.00 ATOM 654 OG SER A 81 40.804 42.018 24.007 1.00 0.00 ATOM 655 O SER A 81 37.515 41.785 27.206 1.00 0.00 ATOM 656 C SER A 81 37.790 41.278 26.112 1.00 0.00 ATOM 657 N ARG A 82 36.872 40.753 25.301 1.00 0.00 ATOM 658 CA ARG A 82 35.456 40.881 25.611 1.00 0.00 ATOM 659 CB ARG A 82 34.559 40.432 24.478 1.00 0.00 ATOM 660 CG ARG A 82 33.083 40.438 24.906 1.00 0.00 ATOM 661 CD ARG A 82 32.127 40.150 23.786 1.00 0.00 ATOM 662 NE ARG A 82 32.183 38.747 23.371 1.00 0.00 ATOM 663 CZ ARG A 82 31.313 38.181 22.538 1.00 0.00 ATOM 664 NH1 ARG A 82 30.317 38.888 22.020 1.00 0.00 ATOM 665 NH2 ARG A 82 31.440 36.898 22.222 1.00 0.00 ATOM 666 O ARG A 82 34.270 40.612 27.634 1.00 0.00 ATOM 667 C ARG A 82 35.064 40.111 26.859 1.00 0.00 ATOM 668 N ALA A 83 35.582 38.892 27.021 1.00 0.00 ATOM 669 CA ALA A 83 35.314 38.100 28.228 1.00 0.00 ATOM 670 CB ALA A 83 35.942 36.704 28.122 1.00 0.00 ATOM 671 O ALA A 83 35.158 38.797 30.509 1.00 0.00 ATOM 672 C ALA A 83 35.809 38.832 29.479 1.00 0.00 ATOM 673 N PHE A 84 36.953 39.505 29.391 1.00 0.00 ATOM 674 CA PHE A 84 37.440 40.295 30.520 1.00 0.00 ATOM 675 CB PHE A 84 38.833 40.843 30.280 1.00 0.00 ATOM 676 CG PHE A 84 39.328 41.720 31.409 1.00 0.00 ATOM 677 CD1 PHE A 84 39.511 41.192 32.677 1.00 0.00 ATOM 678 CD2 PHE A 84 39.553 43.082 31.209 1.00 0.00 ATOM 679 CE1 PHE A 84 39.950 42.008 33.739 1.00 0.00 ATOM 680 CE2 PHE A 84 39.995 43.904 32.267 1.00 0.00 ATOM 681 CZ PHE A 84 40.198 43.360 33.514 1.00 0.00 ATOM 682 O PHE A 84 36.143 41.629 32.028 1.00 0.00 ATOM 683 C PHE A 84 36.492 41.433 30.862 1.00 0.00 ATOM 684 N ASP A 85 36.074 42.179 29.849 1.00 0.00 ATOM 685 CA ASP A 85 35.154 43.294 30.059 1.00 0.00 ATOM 686 CB ASP A 85 34.925 44.076 28.753 1.00 0.00 ATOM 687 CG ASP A 85 36.187 44.789 28.269 1.00 0.00 ATOM 688 OD1 ASP A 85 37.055 45.109 29.106 1.00 0.00 ATOM 689 OD2 ASP A 85 36.326 45.014 27.047 1.00 0.00 ATOM 690 O ASP A 85 33.269 43.508 31.552 1.00 0.00 ATOM 691 C ASP A 85 33.823 42.830 30.675 1.00 0.00 ATOM 692 N LEU A 86 33.332 41.674 30.241 1.00 0.00 ATOM 693 CA LEU A 86 32.088 41.127 30.769 1.00 0.00 ATOM 694 CB LEU A 86 31.555 40.051 29.837 1.00 0.00 ATOM 695 CG LEU A 86 30.181 39.483 30.194 1.00 0.00 ATOM 696 CD1 LEU A 86 29.158 40.589 30.412 1.00 0.00 ATOM 697 CD2 LEU A 86 29.722 38.550 29.089 1.00 0.00 ATOM 698 O LEU A 86 31.324 40.573 32.989 1.00 0.00 ATOM 699 C LEU A 86 32.249 40.533 32.168 1.00 0.00 ATOM 700 N ARG A 87 33.410 39.954 32.433 1.00 0.00 ATOM 701 CA ARG A 87 33.729 39.519 33.779 1.00 0.00 ATOM 702 CB ARG A 87 35.028 38.746 33.773 1.00 0.00 ATOM 703 CG ARG A 87 35.492 38.272 35.126 1.00 0.00 ATOM 704 CD ARG A 87 36.471 39.258 35.700 1.00 0.00 ATOM 705 NE ARG A 87 36.573 39.061 37.137 1.00 0.00 ATOM 706 CZ ARG A 87 37.539 39.588 37.870 1.00 0.00 ATOM 707 NH1 ARG A 87 38.471 40.344 37.304 1.00 0.00 ATOM 708 NH2 ARG A 87 37.581 39.328 39.166 1.00 0.00 ATOM 709 O ARG A 87 33.348 40.607 35.886 1.00 0.00 ATOM 710 C ARG A 87 33.781 40.712 34.735 1.00 0.00 ATOM 711 N GLU A 88 34.294 41.853 34.263 1.00 0.00 ATOM 712 CA GLU A 88 34.346 43.046 35.105 1.00 0.00 ATOM 713 CB GLU A 88 35.127 44.176 34.436 1.00 0.00 ATOM 714 CG GLU A 88 36.598 43.866 34.315 1.00 0.00 ATOM 715 CD GLU A 88 37.363 44.044 35.610 1.00 0.00 ATOM 716 OE1 GLU A 88 37.569 45.206 36.006 1.00 0.00 ATOM 717 OE2 GLU A 88 37.792 43.031 36.208 1.00 0.00 ATOM 718 O GLU A 88 32.695 43.826 36.650 1.00 0.00 ATOM 719 C GLU A 88 32.948 43.494 35.480 1.00 0.00 ATOM 720 N GLU A 89 32.031 43.465 34.515 1.00 0.00 ATOM 721 CA GLU A 89 30.627 43.755 34.795 1.00 0.00 ATOM 722 CB GLU A 89 29.811 43.892 33.514 1.00 0.00 ATOM 723 CG GLU A 89 28.364 44.365 33.714 1.00 0.00 ATOM 724 CD GLU A 89 28.269 45.731 34.401 1.00 0.00 ATOM 725 OE1 GLU A 89 29.131 46.596 34.113 1.00 0.00 ATOM 726 OE2 GLU A 89 27.338 45.930 35.227 1.00 0.00 ATOM 727 O GLU A 89 29.274 43.094 36.663 1.00 0.00 ATOM 728 C GLU A 89 29.983 42.715 35.729 1.00 0.00 ATOM 729 N SER A 90 30.217 41.424 35.484 1.00 0.00 ATOM 730 CA SER A 90 29.637 40.370 36.317 1.00 0.00 ATOM 731 CB SER A 90 29.991 38.972 35.782 1.00 0.00 ATOM 732 OG SER A 90 29.394 38.770 34.510 1.00 0.00 ATOM 733 O SER A 90 29.267 40.416 38.682 1.00 0.00 ATOM 734 C SER A 90 30.091 40.491 37.773 1.00 0.00 ATOM 735 N ASP A 91 31.386 40.701 37.985 1.00 0.00 ATOM 736 CA ASP A 91 31.955 40.725 39.340 1.00 0.00 ATOM 737 CB ASP A 91 33.392 40.175 39.328 1.00 0.00 ATOM 738 CG ASP A 91 33.441 38.654 39.065 1.00 0.00 ATOM 739 OD1 ASP A 91 32.398 37.997 39.172 1.00 0.00 ATOM 740 OD2 ASP A 91 34.509 38.096 38.733 1.00 0.00 ATOM 741 O ASP A 91 31.697 42.135 41.257 1.00 0.00 ATOM 742 C ASP A 91 31.901 42.095 40.045 1.00 0.00 ATOM 743 N TYR A 92 32.041 43.190 39.289 1.00 0.00 ATOM 744 CA TYR A 92 32.199 44.532 39.848 1.00 0.00 ATOM 745 CB TYR A 92 33.548 45.145 39.451 1.00 0.00 ATOM 746 CG TYR A 92 34.722 44.368 39.997 1.00 0.00 ATOM 747 CD1 TYR A 92 34.934 44.282 41.360 1.00 0.00 ATOM 748 CD2 TYR A 92 35.607 43.705 39.152 1.00 0.00 ATOM 749 CE1 TYR A 92 35.992 43.558 41.878 1.00 0.00 ATOM 750 CE2 TYR A 92 36.674 42.979 39.658 1.00 0.00 ATOM 751 CZ TYR A 92 36.872 42.921 41.016 1.00 0.00 ATOM 752 OH TYR A 92 37.901 42.196 41.552 1.00 0.00 ATOM 753 O TYR A 92 30.953 46.528 40.172 1.00 0.00 ATOM 754 C TYR A 92 31.088 45.510 39.504 1.00 0.00 ATOM 755 N GLY A 93 30.281 45.204 38.498 1.00 0.00 ATOM 756 CA GLY A 93 29.162 46.059 38.120 1.00 0.00 ATOM 757 O GLY A 93 27.778 44.805 39.614 1.00 0.00 ATOM 758 C GLY A 93 27.971 45.878 39.041 1.00 0.00 ATOM 759 N ILE A 94 27.172 46.930 39.193 1.00 0.00 ATOM 760 CA ILE A 94 26.029 46.872 40.110 1.00 0.00 ATOM 761 CB ILE A 94 26.284 47.689 41.385 1.00 0.00 ATOM 762 CG1 ILE A 94 26.515 49.165 41.071 1.00 0.00 ATOM 763 CG2 ILE A 94 27.492 47.123 42.146 1.00 0.00 ATOM 764 CD1 ILE A 94 26.829 50.003 42.311 1.00 0.00 ATOM 765 O ILE A 94 23.661 47.116 40.090 1.00 0.00 ATOM 766 C ILE A 94 24.703 47.263 39.464 1.00 0.00 ATOM 767 N TYR A 95 24.737 47.712 38.211 1.00 0.00 ATOM 768 CA TYR A 95 23.524 48.132 37.503 1.00 0.00 ATOM 769 CB TYR A 95 23.778 49.435 36.721 1.00 0.00 ATOM 770 CG TYR A 95 24.289 50.570 37.590 1.00 0.00 ATOM 771 CD1 TYR A 95 23.404 51.441 38.232 1.00 0.00 ATOM 772 CD2 TYR A 95 25.657 50.762 37.788 1.00 0.00 ATOM 773 CE1 TYR A 95 23.875 52.476 39.049 1.00 0.00 ATOM 774 CE2 TYR A 95 26.136 51.792 38.599 1.00 0.00 ATOM 775 CZ TYR A 95 25.241 52.644 39.224 1.00 0.00 ATOM 776 OH TYR A 95 25.719 53.656 40.024 1.00 0.00 ATOM 777 O TYR A 95 21.892 46.572 36.664 1.00 0.00 ATOM 778 C TYR A 95 23.027 47.037 36.550 1.00 0.00 ATOM 779 N LYS A 96 23.878 46.633 35.614 1.00 0.00 ATOM 780 CA LYS A 96 23.465 45.708 34.558 1.00 0.00 ATOM 781 CB LYS A 96 24.405 45.795 33.355 1.00 0.00 ATOM 782 CG LYS A 96 24.489 47.170 32.712 1.00 0.00 ATOM 783 CD LYS A 96 25.453 47.169 31.529 1.00 0.00 ATOM 784 O LYS A 96 24.314 43.873 35.856 1.00 0.00 ATOM 785 C LYS A 96 23.447 44.272 35.068 1.00 0.00 ATOM 786 N GLU A 97 22.451 43.510 34.618 1.00 0.00 ATOM 787 CA GLU A 97 22.454 42.059 34.777 1.00 0.00 ATOM 788 CB GLU A 97 21.113 41.541 35.302 1.00 0.00 ATOM 789 CG GLU A 97 20.857 41.882 36.773 1.00 0.00 ATOM 790 CD GLU A 97 20.073 40.802 37.506 1.00 0.00 ATOM 791 OE1 GLU A 97 20.697 39.814 37.962 1.00 0.00 ATOM 792 OE2 GLU A 97 18.834 40.942 37.621 1.00 0.00 ATOM 793 O GLU A 97 22.521 41.978 32.372 1.00 0.00 ATOM 794 C GLU A 97 22.791 41.416 33.440 1.00 0.00 ATOM 795 N VAL A 98 23.395 40.241 33.515 1.00 0.00 ATOM 796 CA VAL A 98 23.856 39.523 32.341 1.00 0.00 ATOM 797 CB VAL A 98 25.172 38.788 32.631 1.00 0.00 ATOM 798 CG1 VAL A 98 25.628 38.014 31.398 1.00 0.00 ATOM 799 CG2 VAL A 98 26.242 39.784 33.057 1.00 0.00 ATOM 800 O VAL A 98 22.262 37.781 32.735 1.00 0.00 ATOM 801 C VAL A 98 22.790 38.530 31.915 1.00 0.00 ATOM 802 N SER A 99 22.471 38.532 30.627 1.00 0.00 ATOM 803 CA SER A 99 21.434 37.657 30.091 1.00 0.00 ATOM 804 CB SER A 99 20.899 38.231 28.788 1.00 0.00 ATOM 805 OG SER A 99 21.909 38.236 27.798 1.00 0.00 ATOM 806 O SER A 99 23.178 36.040 29.771 1.00 0.00 ATOM 807 C SER A 99 21.970 36.254 29.833 1.00 0.00 ATOM 808 N LYS A 100 21.050 35.311 29.675 1.00 0.00 ATOM 809 CA LYS A 100 21.374 33.959 29.253 1.00 0.00 ATOM 810 CB LYS A 100 20.082 33.171 29.058 1.00 0.00 ATOM 811 CG LYS A 100 20.266 31.687 28.740 1.00 0.00 ATOM 812 CD LYS A 100 18.908 30.968 28.754 1.00 0.00 ATOM 813 CE LYS A 100 18.983 29.564 28.168 1.00 0.00 ATOM 814 NZ LYS A 100 17.702 28.835 28.400 1.00 0.00 ATOM 815 O LYS A 100 23.134 33.246 27.773 1.00 0.00 ATOM 816 C LYS A 100 22.167 33.987 27.942 1.00 0.00 ATOM 817 N ASP A 101 21.747 34.861 27.032 1.00 0.00 ATOM 818 CA ASP A 101 22.351 34.887 25.704 1.00 0.00 ATOM 819 CB ASP A 101 21.448 35.601 24.693 1.00 0.00 ATOM 820 CG ASP A 101 20.354 34.682 24.147 1.00 0.00 ATOM 821 OD1 ASP A 101 20.695 33.661 23.506 1.00 0.00 ATOM 822 OD2 ASP A 101 19.159 34.974 24.367 1.00 0.00 ATOM 823 O ASP A 101 24.624 34.902 24.974 1.00 0.00 ATOM 824 C ASP A 101 23.785 35.423 25.715 1.00 0.00 ATOM 825 N LEU A 102 24.086 36.401 26.569 1.00 0.00 ATOM 826 CA LEU A 102 25.476 36.846 26.752 1.00 0.00 ATOM 827 CB LEU A 102 25.581 38.066 27.673 1.00 0.00 ATOM 828 CG LEU A 102 25.818 39.386 26.957 1.00 0.00 ATOM 829 CD1 LEU A 102 25.742 40.540 27.943 1.00 0.00 ATOM 830 CD2 LEU A 102 27.163 39.353 26.249 1.00 0.00 ATOM 831 O LEU A 102 27.458 35.529 26.894 1.00 0.00 ATOM 832 C LEU A 102 26.336 35.747 27.339 1.00 0.00 ATOM 833 N ALA A 103 25.812 35.070 28.355 1.00 0.00 ATOM 834 CA ALA A 103 26.591 34.084 29.070 1.00 0.00 ATOM 835 CB ALA A 103 25.839 33.579 30.302 1.00 0.00 ATOM 836 O ALA A 103 28.048 32.401 28.187 1.00 0.00 ATOM 837 C ALA A 103 26.934 32.930 28.147 1.00 0.00 ATOM 838 N ILE A 104 25.977 32.513 27.327 1.00 0.00 ATOM 839 CA ILE A 104 26.249 31.410 26.399 1.00 0.00 ATOM 840 CB ILE A 104 24.970 30.883 25.731 1.00 0.00 ATOM 841 CG1 ILE A 104 25.169 29.400 25.372 1.00 0.00 ATOM 842 CG2 ILE A 104 24.605 31.727 24.523 1.00 0.00 ATOM 843 CD1 ILE A 104 23.899 28.670 25.082 1.00 0.00 ATOM 844 O ILE A 104 28.178 30.977 25.041 1.00 0.00 ATOM 845 C ILE A 104 27.327 31.801 25.391 1.00 0.00 ATOM 846 N LYS A 105 27.313 33.057 24.948 1.00 0.00 ATOM 847 CA LYS A 105 28.333 33.570 24.028 1.00 0.00 ATOM 848 CB LYS A 105 28.115 35.052 23.682 1.00 0.00 ATOM 849 CG LYS A 105 27.063 35.390 22.636 1.00 0.00 ATOM 850 CD LYS A 105 26.961 36.912 22.417 1.00 0.00 ATOM 851 CE LYS A 105 25.845 37.257 21.445 1.00 0.00 ATOM 852 NZ LYS A 105 25.980 38.637 20.890 1.00 0.00 ATOM 853 O LYS A 105 30.661 33.013 23.991 1.00 0.00 ATOM 854 C LYS A 105 29.717 33.455 24.643 1.00 0.00 ATOM 855 N ILE A 106 29.854 33.891 25.896 1.00 0.00 ATOM 856 CA ILE A 106 31.167 33.873 26.536 1.00 0.00 ATOM 857 CB ILE A 106 31.198 34.715 27.831 1.00 0.00 ATOM 858 CG1 ILE A 106 30.900 36.176 27.510 1.00 0.00 ATOM 859 CG2 ILE A 106 32.543 34.593 28.543 1.00 0.00 ATOM 860 CD1 ILE A 106 31.612 36.763 26.271 1.00 0.00 ATOM 861 O ILE A 106 32.757 32.094 26.698 1.00 0.00 ATOM 862 C ILE A 106 31.585 32.445 26.812 1.00 0.00 ATOM 863 N LEU A 107 30.635 31.602 27.169 1.00 0.00 ATOM 864 CA LEU A 107 30.963 30.210 27.431 1.00 0.00 ATOM 865 CB LEU A 107 29.717 29.499 27.921 1.00 0.00 ATOM 866 CG LEU A 107 29.794 28.059 28.401 1.00 0.00 ATOM 867 CD1 LEU A 107 30.892 27.880 29.424 1.00 0.00 ATOM 868 CD2 LEU A 107 28.426 27.714 29.011 1.00 0.00 ATOM 869 O LEU A 107 32.535 28.772 26.255 1.00 0.00 ATOM 870 C LEU A 107 31.535 29.508 26.192 1.00 0.00 ATOM 871 N LYS A 108 30.898 29.739 25.054 1.00 0.00 ATOM 872 CA LYS A 108 31.340 29.130 23.813 1.00 0.00 ATOM 873 CB LYS A 108 30.281 29.330 22.743 1.00 0.00 ATOM 874 CG LYS A 108 29.064 28.428 22.950 1.00 0.00 ATOM 875 CD LYS A 108 28.003 28.675 21.858 1.00 0.00 ATOM 876 CE LYS A 108 26.802 27.762 22.048 1.00 0.00 ATOM 877 NZ LYS A 108 25.793 27.837 20.938 1.00 0.00 ATOM 878 O LYS A 108 33.567 28.939 22.919 1.00 0.00 ATOM 879 C LYS A 108 32.704 29.683 23.374 1.00 0.00 ATOM 880 N ASP A 109 32.906 30.981 23.570 1.00 0.00 ATOM 881 CA ASP A 109 34.213 31.596 23.374 1.00 0.00 ATOM 882 CB ASP A 109 34.172 33.080 23.662 1.00 0.00 ATOM 883 CG ASP A 109 33.631 33.898 22.500 1.00 0.00 ATOM 884 OD1 ASP A 109 33.420 33.369 21.386 1.00 0.00 ATOM 885 OD2 ASP A 109 33.424 35.102 22.726 1.00 0.00 ATOM 886 O ASP A 109 36.399 30.717 23.747 1.00 0.00 ATOM 887 C ASP A 109 35.292 30.962 24.240 1.00 0.00 ATOM 888 N ALA A 110 34.987 30.696 25.516 1.00 0.00 ATOM 889 CA ALA A 110 35.963 30.054 26.424 1.00 0.00 ATOM 890 CB ALA A 110 35.415 29.979 27.893 1.00 0.00 ATOM 891 O ALA A 110 37.486 28.250 25.933 1.00 0.00 ATOM 892 C ALA A 110 36.318 28.651 25.913 1.00 0.00 ATOM 893 N GLU A 111 35.317 27.886 25.476 1.00 0.00 ATOM 894 CA GLU A 111 35.576 26.550 24.958 1.00 0.00 ATOM 895 CB GLU A 111 34.307 25.876 24.463 1.00 0.00 ATOM 896 CG GLU A 111 33.370 25.339 25.458 1.00 0.00 ATOM 897 CD GLU A 111 32.216 24.598 24.748 1.00 0.00 ATOM 898 OE1 GLU A 111 31.223 25.266 24.390 1.00 0.00 ATOM 899 OE2 GLU A 111 32.315 23.370 24.573 1.00 0.00 ATOM 900 O GLU A 111 37.426 25.799 23.684 1.00 0.00 ATOM 901 C GLU A 111 36.531 26.607 23.778 1.00 0.00 ATOM 902 N ILE A 112 36.310 27.557 22.871 1.00 0.00 ATOM 903 CA ILE A 112 37.136 27.705 21.663 1.00 0.00 ATOM 904 CB ILE A 112 36.490 28.680 20.647 1.00 0.00 ATOM 905 CG1 ILE A 112 35.182 28.083 20.118 1.00 0.00 ATOM 906 CG2 ILE A 112 37.469 28.977 19.473 1.00 0.00 ATOM 907 CD1 ILE A 112 34.313 29.054 19.335 1.00 0.00 ATOM 908 O ILE A 112 39.538 27.643 21.556 1.00 0.00 ATOM 909 C ILE A 112 38.536 28.189 22.030 1.00 0.00 ATOM 910 N PHE A 113 38.596 29.199 22.899 1.00 0.00 ATOM 911 CA PHE A 113 39.858 29.795 23.308 1.00 0.00 ATOM 912 CB PHE A 113 39.634 31.068 24.135 1.00 0.00 ATOM 913 CG PHE A 113 40.888 31.860 24.387 1.00 0.00 ATOM 914 CD1 PHE A 113 41.688 31.586 25.485 1.00 0.00 ATOM 915 CD2 PHE A 113 41.272 32.874 23.520 1.00 0.00 ATOM 916 CE1 PHE A 113 42.825 32.314 25.729 1.00 0.00 ATOM 917 CE2 PHE A 113 42.411 33.610 23.760 1.00 0.00 ATOM 918 CZ PHE A 113 43.199 33.317 24.855 1.00 0.00 ATOM 919 O PHE A 113 41.918 28.654 23.778 1.00 0.00 ATOM 920 C PHE A 113 40.725 28.787 24.065 1.00 0.00 ATOM 921 N VAL A 114 40.122 28.036 24.985 1.00 0.00 ATOM 922 CA VAL A 114 40.904 27.061 25.753 1.00 0.00 ATOM 923 CB VAL A 114 40.128 26.522 26.918 1.00 0.00 ATOM 924 CG1 VAL A 114 40.904 25.381 27.588 1.00 0.00 ATOM 925 CG2 VAL A 114 39.801 27.680 27.940 1.00 0.00 ATOM 926 O VAL A 114 42.550 25.451 24.990 1.00 0.00 ATOM 927 C VAL A 114 41.415 25.915 24.849 1.00 0.00 ATOM 928 N GLN A 115 40.599 25.462 23.914 1.00 0.00 ATOM 929 CA GLN A 115 41.060 24.444 22.956 1.00 0.00 ATOM 930 CB GLN A 115 39.921 23.997 22.029 1.00 0.00 ATOM 931 CG GLN A 115 40.299 22.873 21.049 1.00 0.00 ATOM 932 CD GLN A 115 40.751 21.617 21.732 1.00 0.00 ATOM 933 OE1 GLN A 115 40.094 21.139 22.642 1.00 0.00 ATOM 934 NE2 GLN A 115 41.907 21.075 21.301 1.00 0.00 ATOM 935 O GLN A 115 43.225 24.255 21.961 1.00 0.00 ATOM 936 C GLN A 115 42.224 24.957 22.137 1.00 0.00 ATOM 937 N LYS A 116 42.121 26.181 21.635 1.00 0.00 ATOM 938 CA LYS A 116 43.216 26.754 20.868 1.00 0.00 ATOM 939 CB LYS A 116 42.809 28.072 20.209 1.00 0.00 ATOM 940 CG LYS A 116 41.956 27.839 18.955 1.00 0.00 ATOM 941 CD LYS A 116 41.691 29.106 18.197 1.00 0.00 ATOM 942 CE LYS A 116 41.864 28.916 16.682 1.00 0.00 ATOM 943 NZ LYS A 116 41.964 30.225 15.942 1.00 0.00 ATOM 944 O LYS A 116 45.587 26.754 21.126 1.00 0.00 ATOM 945 C LYS A 116 44.495 26.907 21.668 1.00 0.00 ATOM 946 N ALA A 117 44.358 27.188 22.958 1.00 0.00 ATOM 947 CA ALA A 117 45.505 27.296 23.840 1.00 0.00 ATOM 948 CB ALA A 117 45.073 27.859 25.202 1.00 0.00 ATOM 949 O ALA A 117 47.379 25.805 23.935 1.00 0.00 ATOM 950 C ALA A 117 46.156 25.934 23.998 1.00 0.00 ATOM 951 N LYS A 118 45.336 24.913 24.190 1.00 0.00 ATOM 952 CA LYS A 118 45.826 23.544 24.305 1.00 0.00 ATOM 953 CB LYS A 118 44.668 22.600 24.572 1.00 0.00 ATOM 954 CG LYS A 118 44.218 22.635 25.993 1.00 0.00 ATOM 955 CD LYS A 118 42.843 22.068 26.191 1.00 0.00 ATOM 956 CE LYS A 118 42.734 20.646 25.777 1.00 0.00 ATOM 957 NZ LYS A 118 41.479 20.063 26.330 1.00 0.00 ATOM 958 O LYS A 118 47.693 22.542 23.105 1.00 0.00 ATOM 959 C LYS A 118 46.599 23.136 23.038 1.00 0.00 ATOM 960 N ASN A 119 46.051 23.490 21.888 1.00 0.00 ATOM 961 CA ASN A 119 46.740 23.223 20.630 1.00 0.00 ATOM 962 CB ASN A 119 45.904 23.703 19.440 1.00 0.00 ATOM 963 CG ASN A 119 44.571 22.945 19.279 1.00 0.00 ATOM 964 ND2 ASN A 119 43.663 23.526 18.484 1.00 0.00 ATOM 965 OD1 ASN A 119 44.355 21.871 19.855 1.00 0.00 ATOM 966 O ASN A 119 49.138 23.231 20.309 1.00 0.00 ATOM 967 C ASN A 119 48.127 23.883 20.615 1.00 0.00 ATOM 968 N ALA A 120 48.178 25.163 20.981 1.00 0.00 ATOM 969 CA ALA A 120 49.401 25.955 20.907 1.00 0.00 ATOM 970 CB ALA A 120 49.116 27.412 21.278 1.00 0.00 ATOM 971 O ALA A 120 51.684 25.510 21.442 1.00 0.00 ATOM 972 C ALA A 120 50.515 25.420 21.799 1.00 0.00 ATOM 973 N VAL A 121 50.162 24.891 22.965 1.00 0.00 ATOM 974 CA VAL A 121 51.170 24.426 23.928 1.00 0.00 ATOM 975 CB VAL A 121 50.866 24.932 25.351 1.00 0.00 ATOM 976 CG1 VAL A 121 50.730 26.430 25.335 1.00 0.00 ATOM 977 CG2 VAL A 121 49.611 24.279 25.910 1.00 0.00 ATOM 978 O VAL A 121 51.869 22.336 24.871 1.00 0.00 ATOM 979 C VAL A 121 51.296 22.907 23.939 1.00 0.00 ATOM 980 N ASN A 122 50.760 22.267 22.904 1.00 0.00 ATOM 981 CA ASN A 122 50.819 20.825 22.730 1.00 0.00 ATOM 982 CB ASN A 122 52.269 20.359 22.493 1.00 0.00 ATOM 983 CG ASN A 122 52.939 21.077 21.327 1.00 0.00 ATOM 984 ND2 ASN A 122 52.327 20.999 20.152 1.00 0.00 ATOM 985 OD1 ASN A 122 53.989 21.710 21.492 1.00 0.00 ATOM 986 O ASN A 122 50.791 19.065 24.333 1.00 0.00 ATOM 987 C ASN A 122 50.222 20.058 23.899 1.00 0.00 ATOM 988 N LYS A 123 49.085 20.526 24.413 1.00 0.00 ATOM 989 CA LYS A 123 48.388 19.837 25.490 1.00 0.00 ATOM 990 CB LYS A 123 48.245 20.757 26.699 1.00 0.00 ATOM 991 CG LYS A 123 49.564 21.024 27.440 1.00 0.00 ATOM 992 CD LYS A 123 49.942 19.845 28.304 1.00 0.00 ATOM 993 CE LYS A 123 51.127 20.117 29.197 1.00 0.00 ATOM 994 NZ LYS A 123 51.481 18.916 29.992 1.00 0.00 ATOM 995 O LYS A 123 46.165 19.028 25.819 1.00 0.00 ATOM 996 C LYS A 123 47.036 19.332 25.014 1.00 0.00 ATOM 997 N ASN A 124 46.845 19.225 23.698 1.00 0.00 ATOM 998 CA ASN A 124 45.595 18.670 23.196 1.00 0.00 ATOM 999 CB ASN A 124 45.208 19.277 21.835 1.00 0.00 ATOM 1000 CG ASN A 124 46.230 19.013 20.766 1.00 0.00 ATOM 1001 ND2 ASN A 124 45.754 18.770 19.538 1.00 0.00 ATOM 1002 OD1 ASN A 124 47.442 19.027 21.026 1.00 0.00 ATOM 1003 O ASN A 124 44.933 16.497 22.416 1.00 0.00 ATOM 1004 C ASN A 124 45.688 17.142 23.141 1.00 0.00 ATOM 1005 N ARG A 125 46.536 16.594 24.014 1.00 0.00 ATOM 1006 CA ARG A 125 47.045 15.225 23.969 1.00 0.00 ATOM 1007 CB ARG A 125 48.411 15.146 24.681 1.00 0.00 ATOM 1008 CG ARG A 125 49.295 16.403 24.687 1.00 0.00 ATOM 1009 CD ARG A 125 50.663 16.080 24.099 1.00 0.00 ATOM 1010 NE ARG A 125 50.528 15.920 22.652 1.00 0.00 ATOM 1011 CZ ARG A 125 50.552 14.767 21.984 1.00 0.00 ATOM 1012 NH1 ARG A 125 50.770 13.613 22.595 1.00 0.00 ATOM 1013 NH2 ARG A 125 50.374 14.784 20.668 1.00 0.00 ATOM 1014 O ARG A 125 45.740 14.550 25.823 1.00 0.00 ATOM 1015 C ARG A 125 46.137 14.247 24.709 1.00 0.00 ENDMDL # command:# Prefix for output files set to decoys/ # command:# request to SCWRL produces command: ulimit -t 113 ; scwrl3 -i /var/tmp/to_scwrl_1714203000.pdb -s /var/tmp/to_scwrl_1714203000.seq -o /var/tmp/from_scwrl_1714203000.pdb > /var/tmp/scwrl_1714203000.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1714203000.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 124 # 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 = -74.600 # GDT_score(maxd=8.000,maxw=2.900)= -79.048 # GDT_score(maxd=8.000,maxw=3.200)= -75.177 # GDT_score(maxd=8.000,maxw=3.500)= -71.513 # GDT_score(maxd=10.000,maxw=3.800)= -74.118 # GDT_score(maxd=10.000,maxw=4.000)= -71.892 # GDT_score(maxd=10.000,maxw=4.200)= -69.692 # GDT_score(maxd=12.000,maxw=4.300)= -73.224 # GDT_score(maxd=12.000,maxw=4.500)= -71.088 # GDT_score(maxd=12.000,maxw=4.700)= -68.999 # GDT_score(maxd=14.000,maxw=5.200)= -67.611 # GDT_score(maxd=14.000,maxw=5.500)= -64.761 # command:# request to SCWRL produces command: ulimit -t 113 ; scwrl3 -i /var/tmp/to_scwrl_1763210832.pdb -s /var/tmp/to_scwrl_1763210832.seq -o /var/tmp/from_scwrl_1763210832.pdb > /var/tmp/scwrl_1763210832.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1763210832.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 98 # 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 = -72.400 # GDT_score(maxd=8.000,maxw=2.900)= -73.387 # GDT_score(maxd=8.000,maxw=3.200)= -70.878 # GDT_score(maxd=8.000,maxw=3.500)= -68.067 # GDT_score(maxd=10.000,maxw=3.800)= -70.768 # GDT_score(maxd=10.000,maxw=4.000)= -68.821 # GDT_score(maxd=10.000,maxw=4.200)= -66.863 # GDT_score(maxd=12.000,maxw=4.300)= -70.377 # GDT_score(maxd=12.000,maxw=4.500)= -68.450 # GDT_score(maxd=12.000,maxw=4.700)= -66.528 # GDT_score(maxd=14.000,maxw=5.200)= -65.494 # GDT_score(maxd=14.000,maxw=5.500)= -62.890 # command:# request to SCWRL produces command: ulimit -t 113 ; scwrl3 -i /var/tmp/to_scwrl_294324829.pdb -s /var/tmp/to_scwrl_294324829.seq -o /var/tmp/from_scwrl_294324829.pdb > /var/tmp/scwrl_294324829.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_294324829.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 94 # 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 = -77.800 # GDT_score(maxd=8.000,maxw=2.900)= -81.747 # GDT_score(maxd=8.000,maxw=3.200)= -78.037 # GDT_score(maxd=8.000,maxw=3.500)= -74.184 # GDT_score(maxd=10.000,maxw=3.800)= -76.608 # GDT_score(maxd=10.000,maxw=4.000)= -74.175 # GDT_score(maxd=10.000,maxw=4.200)= -71.819 # GDT_score(maxd=12.000,maxw=4.300)= -75.330 # GDT_score(maxd=12.000,maxw=4.500)= -73.073 # GDT_score(maxd=12.000,maxw=4.700)= -70.871 # GDT_score(maxd=14.000,maxw=5.200)= -69.293 # GDT_score(maxd=14.000,maxw=5.500)= -66.295 # command:# request to SCWRL produces command: ulimit -t 113 ; scwrl3 -i /var/tmp/to_scwrl_1163379276.pdb -s /var/tmp/to_scwrl_1163379276.seq -o /var/tmp/from_scwrl_1163379276.pdb > /var/tmp/scwrl_1163379276.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1163379276.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 98 # 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 = -72.200 # GDT_score(maxd=8.000,maxw=2.900)= -73.153 # GDT_score(maxd=8.000,maxw=3.200)= -70.652 # GDT_score(maxd=8.000,maxw=3.500)= -67.878 # GDT_score(maxd=10.000,maxw=3.800)= -70.584 # GDT_score(maxd=10.000,maxw=4.000)= -68.632 # GDT_score(maxd=10.000,maxw=4.200)= -66.687 # GDT_score(maxd=12.000,maxw=4.300)= -70.207 # GDT_score(maxd=12.000,maxw=4.500)= -68.290 # GDT_score(maxd=12.000,maxw=4.700)= -66.379 # GDT_score(maxd=14.000,maxw=5.200)= -65.350 # GDT_score(maxd=14.000,maxw=5.500)= -62.753 # command:# request to SCWRL produces command: ulimit -t 113 ; scwrl3 -i /var/tmp/to_scwrl_764421458.pdb -s /var/tmp/to_scwrl_764421458.seq -o /var/tmp/from_scwrl_764421458.pdb > /var/tmp/scwrl_764421458.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_764421458.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 T0367.try1-opt2.pdb looking for model 1 # Found a chain break before 98 # 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 = -72.200 # GDT_score(maxd=8.000,maxw=2.900)= -73.220 # GDT_score(maxd=8.000,maxw=3.200)= -70.710 # GDT_score(maxd=8.000,maxw=3.500)= -67.918 # GDT_score(maxd=10.000,maxw=3.800)= -70.633 # GDT_score(maxd=10.000,maxw=4.000)= -68.688 # GDT_score(maxd=10.000,maxw=4.200)= -66.731 # GDT_score(maxd=12.000,maxw=4.300)= -70.256 # GDT_score(maxd=12.000,maxw=4.500)= -68.329 # GDT_score(maxd=12.000,maxw=4.700)= -66.412 # GDT_score(maxd=14.000,maxw=5.200)= -65.378 # GDT_score(maxd=14.000,maxw=5.500)= -62.784 # command:# Prefix for output files set to # command:Warning: Couldn't open file T0367.try1-real.pdb for output Error: Couldn't open file T0367.try1-real.pdb for output superimposing iter= 0 total_weight= 1515.000 rmsd (weighted)= 4.790 (unweighted)= 5.811 superimposing iter= 1 total_weight= 4691.045 rmsd (weighted)= 1.924 (unweighted)= 5.843 superimposing iter= 2 total_weight= 2387.260 rmsd (weighted)= 1.204 (unweighted)= 5.878 superimposing iter= 3 total_weight= 1471.650 rmsd (weighted)= 0.979 (unweighted)= 5.908 superimposing iter= 4 total_weight= 1248.099 rmsd (weighted)= 0.870 (unweighted)= 5.933 superimposing iter= 5 total_weight= 1205.196 rmsd (weighted)= 0.789 (unweighted)= 5.952 EXPDTA T0367.try1-opt2.pdb MODEL 1 REMARK 44 REMARK 44 model 1 is called T0367.try1-opt2.pdb ATOM 1 N MET A 1 54.289 17.750 26.899 1.00 0.00 ATOM 2 CA MET A 1 54.790 17.758 28.295 1.00 0.00 ATOM 3 CB MET A 1 55.443 19.101 28.623 1.00 0.00 ATOM 4 CG MET A 1 56.756 19.348 27.896 1.00 0.00 ATOM 5 SD MET A 1 57.488 20.944 28.302 1.00 0.00 ATOM 6 CE MET A 1 57.945 20.680 30.013 1.00 0.00 ATOM 7 O MET A 1 52.561 18.065 29.132 1.00 0.00 ATOM 8 C MET A 1 53.657 17.528 29.292 1.00 0.00 ATOM 9 N ASP A 2 53.978 16.720 30.313 1.00 0.00 ATOM 10 CA ASP A 2 53.009 16.487 31.381 1.00 0.00 ATOM 11 CB ASP A 2 53.662 15.590 32.481 1.00 0.00 ATOM 12 CG ASP A 2 53.815 14.129 32.085 1.00 0.00 ATOM 13 OD1 ASP A 2 53.198 13.679 31.106 1.00 0.00 ATOM 14 OD2 ASP A 2 54.554 13.411 32.796 1.00 0.00 ATOM 15 O ASP A 2 51.381 17.933 32.385 1.00 0.00 ATOM 16 C ASP A 2 52.558 17.774 32.058 1.00 0.00 ATOM 17 N GLU A 3 53.497 18.685 32.277 1.00 0.00 ATOM 18 CA GLU A 3 53.187 19.953 32.919 1.00 0.00 ATOM 19 CB GLU A 3 54.483 20.704 33.221 1.00 0.00 ATOM 20 CG GLU A 3 55.276 20.074 34.354 1.00 0.00 ATOM 21 CD GLU A 3 56.722 20.524 34.388 1.00 0.00 ATOM 22 OE1 GLU A 3 57.428 20.172 35.357 1.00 0.00 ATOM 23 OE2 GLU A 3 57.155 21.215 33.440 1.00 0.00 ATOM 24 O GLU A 3 51.304 21.402 32.587 1.00 0.00 ATOM 25 C GLU A 3 52.251 20.804 32.070 1.00 0.00 ATOM 26 N LEU A 4 52.484 20.819 30.761 1.00 0.00 ATOM 27 CA LEU A 4 51.647 21.591 29.854 1.00 0.00 ATOM 28 CB LEU A 4 52.242 21.632 28.464 1.00 0.00 ATOM 29 CG LEU A 4 53.524 22.467 28.355 1.00 0.00 ATOM 30 CD1 LEU A 4 54.220 22.201 27.031 1.00 0.00 ATOM 31 CD2 LEU A 4 53.178 23.945 28.492 1.00 0.00 ATOM 32 O LEU A 4 49.236 21.709 29.894 1.00 0.00 ATOM 33 C LEU A 4 50.231 20.995 29.799 1.00 0.00 ATOM 34 N GLU A 5 50.153 19.694 29.665 1.00 0.00 ATOM 35 CA GLU A 5 48.851 19.037 29.613 1.00 0.00 ATOM 36 CB GLU A 5 49.012 17.537 29.361 1.00 0.00 ATOM 37 CG GLU A 5 49.855 17.212 28.134 1.00 0.00 ATOM 38 CD GLU A 5 49.777 15.750 27.729 1.00 0.00 ATOM 39 OE1 GLU A 5 49.741 14.883 28.628 1.00 0.00 ATOM 40 OE2 GLU A 5 49.759 15.471 26.509 1.00 0.00 ATOM 41 O GLU A 5 46.878 19.453 30.927 1.00 0.00 ATOM 42 C GLU A 5 48.106 19.250 30.929 1.00 0.00 ATOM 43 N LEU A 6 48.846 19.190 32.039 1.00 0.00 ATOM 44 CA LEU A 6 48.224 19.420 33.345 1.00 0.00 ATOM 45 CB LEU A 6 49.251 19.272 34.470 1.00 0.00 ATOM 46 CG LEU A 6 49.826 17.869 34.682 1.00 0.00 ATOM 47 CD1 LEU A 6 50.958 17.900 35.698 1.00 0.00 ATOM 48 CD2 LEU A 6 48.751 16.921 35.197 1.00 0.00 ATOM 49 O LEU A 6 46.515 20.936 34.020 1.00 0.00 ATOM 50 C LEU A 6 47.590 20.796 33.443 1.00 0.00 ATOM 51 N ARG A 7 48.250 21.807 32.877 1.00 0.00 ATOM 52 CA ARG A 7 47.704 23.160 32.897 1.00 0.00 ATOM 53 CB ARG A 7 48.707 24.164 32.313 1.00 0.00 ATOM 54 CG ARG A 7 49.953 24.324 33.183 1.00 0.00 ATOM 55 CD ARG A 7 50.968 25.324 32.629 1.00 0.00 ATOM 56 NE ARG A 7 52.200 25.291 33.421 1.00 0.00 ATOM 57 CZ ARG A 7 53.379 24.890 32.957 1.00 0.00 ATOM 58 NH1 ARG A 7 53.499 24.492 31.698 1.00 0.00 ATOM 59 NH2 ARG A 7 54.435 24.867 33.761 1.00 0.00 ATOM 60 O ARG A 7 45.444 23.907 32.528 1.00 0.00 ATOM 61 C ARG A 7 46.390 23.229 32.119 1.00 0.00 ATOM 62 N ILE A 8 46.339 22.536 30.983 1.00 0.00 ATOM 63 CA ILE A 8 45.129 22.515 30.176 1.00 0.00 ATOM 64 CB ILE A 8 45.438 21.946 28.767 1.00 0.00 ATOM 65 CG1 ILE A 8 46.396 22.843 27.984 1.00 0.00 ATOM 66 CG2 ILE A 8 44.144 21.673 28.021 1.00 0.00 ATOM 67 CD1 ILE A 8 46.918 22.170 26.748 1.00 0.00 ATOM 68 O ILE A 8 42.862 22.172 30.888 1.00 0.00 ATOM 69 C ILE A 8 44.031 21.807 30.962 1.00 0.00 ATOM 70 N ARG A 9 44.432 20.803 31.730 1.00 0.00 ATOM 71 CA ARG A 9 43.501 20.063 32.565 1.00 0.00 ATOM 72 CB ARG A 9 44.205 18.883 33.239 1.00 0.00 ATOM 73 CG ARG A 9 43.289 18.014 34.084 1.00 0.00 ATOM 74 CD ARG A 9 44.024 16.798 34.623 1.00 0.00 ATOM 75 NE ARG A 9 43.157 15.950 35.437 1.00 0.00 ATOM 76 CZ ARG A 9 43.567 14.860 36.079 1.00 0.00 ATOM 77 NH1 ARG A 9 42.706 14.150 36.795 1.00 0.00 ATOM 78 NH2 ARG A 9 44.835 14.481 36.000 1.00 0.00 ATOM 79 O ARG A 9 41.779 21.074 33.945 1.00 0.00 ATOM 80 C ARG A 9 42.969 21.054 33.623 1.00 0.00 ATOM 81 N LYS A 10 43.857 21.898 34.145 1.00 0.00 ATOM 82 CA LYS A 10 43.449 22.897 35.129 1.00 0.00 ATOM 83 CB LYS A 10 44.657 23.709 35.600 1.00 0.00 ATOM 84 CG LYS A 10 45.633 22.926 36.463 1.00 0.00 ATOM 85 CD LYS A 10 46.805 23.792 36.897 1.00 0.00 ATOM 86 CE LYS A 10 47.794 23.001 37.740 1.00 0.00 ATOM 87 NZ LYS A 10 48.963 23.829 38.144 1.00 0.00 ATOM 88 O LYS A 10 41.417 24.187 35.108 1.00 0.00 ATOM 89 C LYS A 10 42.428 23.842 34.501 1.00 0.00 ATOM 90 N ALA A 11 42.701 24.255 33.274 1.00 0.00 ATOM 91 CA ALA A 11 41.810 25.168 32.580 1.00 0.00 ATOM 92 CB ALA A 11 42.317 25.625 31.250 1.00 0.00 ATOM 93 O ALA A 11 39.421 25.187 32.363 1.00 0.00 ATOM 94 C ALA A 11 40.457 24.526 32.278 1.00 0.00 ATOM 95 N GLU A 12 40.460 23.245 31.924 1.00 0.00 ATOM 96 CA GLU A 12 39.206 22.554 31.652 1.00 0.00 ATOM 97 CB GLU A 12 39.470 21.098 31.264 1.00 0.00 ATOM 98 CG GLU A 12 40.112 20.926 29.897 1.00 0.00 ATOM 99 CD GLU A 12 40.472 19.483 29.598 1.00 0.00 ATOM 100 OE1 GLU A 12 40.286 18.628 30.491 1.00 0.00 ATOM 101 OE2 GLU A 12 40.938 19.208 28.473 1.00 0.00 ATOM 102 O GLU A 12 37.148 22.832 32.863 1.00 0.00 ATOM 103 C GLU A 12 38.354 22.605 32.927 1.00 0.00 ATOM 104 N LYS A 13 38.988 22.401 34.082 1.00 0.00 ATOM 105 CA LYS A 13 38.293 22.467 35.372 1.00 0.00 ATOM 106 CB LYS A 13 39.268 22.197 36.520 1.00 0.00 ATOM 107 CG LYS A 13 39.747 20.757 36.600 1.00 0.00 ATOM 108 CD LYS A 13 40.708 20.557 37.761 1.00 0.00 ATOM 109 CE LYS A 13 41.207 19.124 37.826 1.00 0.00 ATOM 110 NZ LYS A 13 42.175 18.922 38.938 1.00 0.00 ATOM 111 O LYS A 13 36.566 23.953 36.132 1.00 0.00 ATOM 112 C LYS A 13 37.669 23.841 35.599 1.00 0.00 ATOM 113 N LEU A 14 38.391 24.890 35.224 1.00 0.00 ATOM 114 CA LEU A 14 37.875 26.239 35.400 1.00 0.00 ATOM 115 CB LEU A 14 38.921 27.272 34.976 1.00 0.00 ATOM 116 CG LEU A 14 40.155 27.395 35.873 1.00 0.00 ATOM 117 CD1 LEU A 14 41.187 28.318 35.242 1.00 0.00 ATOM 118 CD2 LEU A 14 39.776 27.963 37.232 1.00 0.00 ATOM 119 O LEU A 14 35.631 27.016 35.100 1.00 0.00 ATOM 120 C LEU A 14 36.596 26.454 34.597 1.00 0.00 ATOM 121 N VAL A 15 36.573 26.001 33.364 1.00 0.00 ATOM 122 CA VAL A 15 35.385 26.161 32.537 1.00 0.00 ATOM 123 CB VAL A 15 35.642 25.823 31.057 1.00 0.00 ATOM 124 CG1 VAL A 15 35.746 24.318 30.866 1.00 0.00 ATOM 125 CG2 VAL A 15 34.507 26.341 30.187 1.00 0.00 ATOM 126 O VAL A 15 33.079 25.591 32.855 1.00 0.00 ATOM 127 C VAL A 15 34.256 25.275 33.053 1.00 0.00 ATOM 128 N GLN A 16 34.589 24.153 33.702 1.00 0.00 ATOM 129 CA GLN A 16 33.547 23.262 34.218 1.00 0.00 ATOM 130 CB GLN A 16 34.199 22.034 34.857 1.00 0.00 ATOM 131 CG GLN A 16 34.823 21.073 33.861 1.00 0.00 ATOM 132 CD GLN A 16 35.556 19.930 34.534 1.00 0.00 ATOM 133 OE1 GLN A 16 35.679 19.894 35.758 1.00 0.00 ATOM 134 NE2 GLN A 16 36.045 18.989 33.734 1.00 0.00 ATOM 135 O GLN A 16 31.536 23.860 35.379 1.00 0.00 ATOM 136 C GLN A 16 32.749 24.028 35.268 1.00 0.00 ATOM 137 N ASP A 17 33.434 24.857 36.066 1.00 0.00 ATOM 138 CA ASP A 17 32.727 25.634 37.085 1.00 0.00 ATOM 139 CB ASP A 17 33.746 26.503 37.826 1.00 0.00 ATOM 140 CG ASP A 17 34.587 25.707 38.805 1.00 0.00 ATOM 141 OD1 ASP A 17 34.231 24.545 39.088 1.00 0.00 ATOM 142 OD2 ASP A 17 35.604 26.248 39.289 1.00 0.00 ATOM 143 O ASP A 17 30.570 26.664 36.821 1.00 0.00 ATOM 144 C ASP A 17 31.722 26.551 36.393 1.00 0.00 ATOM 145 N ALA A 18 32.159 27.233 35.331 1.00 0.00 ATOM 146 CA ALA A 18 31.292 28.125 34.581 1.00 0.00 ATOM 147 CB ALA A 18 32.032 28.701 33.383 1.00 0.00 ATOM 148 O ALA A 18 28.946 27.907 34.074 1.00 0.00 ATOM 149 C ALA A 18 30.067 27.390 34.042 1.00 0.00 ATOM 150 N LYS A 19 30.275 26.177 33.534 1.00 0.00 ATOM 151 CA LYS A 19 29.185 25.373 33.001 1.00 0.00 ATOM 152 CB LYS A 19 29.741 24.115 32.331 1.00 0.00 ATOM 153 CG LYS A 19 30.514 24.384 31.050 1.00 0.00 ATOM 154 CD LYS A 19 31.032 23.094 30.437 1.00 0.00 ATOM 155 CE LYS A 19 31.835 23.366 29.174 1.00 0.00 ATOM 156 NZ LYS A 19 32.368 22.111 28.575 1.00 0.00 ATOM 157 O LYS A 19 26.993 24.973 33.866 1.00 0.00 ATOM 158 C LYS A 19 28.202 24.977 34.109 1.00 0.00 ATOM 159 N LYS A 20 28.721 24.632 35.293 1.00 0.00 ATOM 160 CA LYS A 20 27.838 24.286 36.420 1.00 0.00 ATOM 161 CB LYS A 20 28.707 23.855 37.604 1.00 0.00 ATOM 162 CG LYS A 20 27.915 23.431 38.831 1.00 0.00 ATOM 163 CD LYS A 20 28.834 22.936 39.936 1.00 0.00 ATOM 164 CE LYS A 20 28.047 22.543 41.174 1.00 0.00 ATOM 165 NZ LYS A 20 28.938 22.109 42.286 1.00 0.00 ATOM 166 O LYS A 20 25.786 25.358 37.037 1.00 0.00 ATOM 167 C LYS A 20 26.975 25.482 36.794 1.00 0.00 ATOM 168 N GLU A 21 27.605 26.664 36.874 1.00 0.00 ATOM 169 CA GLU A 21 26.865 27.890 37.153 1.00 0.00 ATOM 170 CB GLU A 21 27.818 29.085 37.217 1.00 0.00 ATOM 171 CG GLU A 21 28.705 29.107 38.451 1.00 0.00 ATOM 172 CD GLU A 21 27.907 29.135 39.740 1.00 0.00 ATOM 173 OE1 GLU A 21 27.025 30.011 39.875 1.00 0.00 ATOM 174 OE2 GLU A 21 28.161 28.281 40.616 1.00 0.00 ATOM 175 O GLU A 21 24.699 28.547 36.323 1.00 0.00 ATOM 176 C GLU A 21 25.842 28.155 36.037 1.00 0.00 ATOM 177 N PHE A 22 26.226 27.917 34.776 1.00 0.00 ATOM 178 CA PHE A 22 25.308 28.086 33.677 1.00 0.00 ATOM 179 CB PHE A 22 25.980 27.707 32.355 1.00 0.00 ATOM 180 CG PHE A 22 25.072 27.809 31.162 1.00 0.00 ATOM 181 CD1 PHE A 22 24.805 29.037 30.580 1.00 0.00 ATOM 182 CD2 PHE A 22 24.484 26.678 30.623 1.00 0.00 ATOM 183 CE1 PHE A 22 23.970 29.130 29.482 1.00 0.00 ATOM 184 CE2 PHE A 22 23.649 26.772 29.526 1.00 0.00 ATOM 185 CZ PHE A 22 23.392 27.991 28.956 1.00 0.00 ATOM 186 O PHE A 22 22.953 27.637 33.659 1.00 0.00 ATOM 187 C PHE A 22 24.082 27.192 33.861 1.00 0.00 ATOM 188 N GLU A 23 24.314 25.890 34.183 1.00 0.00 ATOM 189 CA GLU A 23 23.215 24.923 34.275 1.00 0.00 ATOM 190 CB GLU A 23 23.794 23.567 34.680 1.00 0.00 ATOM 191 CG GLU A 23 24.638 22.905 33.603 1.00 0.00 ATOM 192 CD GLU A 23 25.271 21.610 34.073 1.00 0.00 ATOM 193 OE1 GLU A 23 25.107 21.266 35.262 1.00 0.00 ATOM 194 OE2 GLU A 23 25.931 20.940 33.251 1.00 0.00 ATOM 195 O GLU A 23 20.979 25.122 35.143 1.00 0.00 ATOM 196 C GLU A 23 22.187 25.357 35.309 1.00 0.00 ATOM 197 N MET A 24 22.657 26.049 36.344 1.00 0.00 ATOM 198 CA MET A 24 21.811 26.459 37.452 1.00 0.00 ATOM 199 CB MET A 24 22.533 25.825 38.796 1.00 0.00 ATOM 200 CG MET A 24 22.552 24.304 38.883 1.00 0.00 ATOM 201 SD MET A 24 22.999 23.718 40.556 1.00 0.00 ATOM 202 CE MET A 24 24.643 24.443 40.728 1.00 0.00 ATOM 203 O MET A 24 20.449 28.317 38.083 1.00 0.00 ATOM 204 C MET A 24 21.204 27.837 37.229 1.00 0.00 ATOM 205 N GLY A 25 21.469 28.526 36.169 1.00 0.00 ATOM 206 CA GLY A 25 20.972 29.840 35.884 1.00 0.00 ATOM 207 O GLY A 25 21.257 32.110 36.511 1.00 0.00 ATOM 208 C GLY A 25 21.757 30.990 36.472 1.00 0.00 ATOM 209 N LEU A 26 22.979 30.716 36.945 1.00 0.00 ATOM 210 CA LEU A 26 23.794 31.752 37.560 1.00 0.00 ATOM 211 CB LEU A 26 24.392 31.236 38.923 1.00 0.00 ATOM 212 CG LEU A 26 23.527 30.338 39.805 1.00 0.00 ATOM 213 CD1 LEU A 26 24.339 29.917 41.016 1.00 0.00 ATOM 214 CD2 LEU A 26 22.236 31.044 40.227 1.00 0.00 ATOM 215 O LEU A 26 25.862 32.098 36.376 1.00 0.00 ATOM 216 C LEU A 26 24.652 32.367 36.470 1.00 0.00 ATOM 217 N TYR A 27 24.017 33.182 35.625 1.00 0.00 ATOM 218 CA TYR A 27 24.656 33.634 34.366 1.00 0.00 ATOM 219 CB TYR A 27 23.658 34.410 33.506 1.00 0.00 ATOM 220 CG TYR A 27 22.542 33.560 32.942 1.00 0.00 ATOM 221 CD1 TYR A 27 22.641 32.174 32.931 1.00 0.00 ATOM 222 CD2 TYR A 27 21.394 34.144 32.425 1.00 0.00 ATOM 223 CE1 TYR A 27 21.626 31.388 32.418 1.00 0.00 ATOM 224 CE2 TYR A 27 20.369 33.374 31.908 1.00 0.00 ATOM 225 CZ TYR A 27 20.495 31.986 31.908 1.00 0.00 ATOM 226 OH TYR A 27 19.483 31.206 31.396 1.00 0.00 ATOM 227 O TYR A 27 26.896 34.394 33.957 1.00 0.00 ATOM 228 C TYR A 27 25.859 34.554 34.599 1.00 0.00 ATOM 229 N GLU A 28 25.699 35.431 35.672 1.00 0.00 ATOM 230 CA GLU A 28 26.755 36.289 36.146 1.00 0.00 ATOM 231 CB GLU A 28 26.296 37.076 37.375 1.00 0.00 ATOM 232 CG GLU A 28 27.335 38.043 37.917 1.00 0.00 ATOM 233 CD GLU A 28 26.833 38.828 39.113 1.00 0.00 ATOM 234 OE1 GLU A 28 25.667 38.626 39.509 1.00 0.00 ATOM 235 OE2 GLU A 28 27.607 39.648 39.652 1.00 0.00 ATOM 236 O GLU A 28 29.115 35.856 36.119 1.00 0.00 ATOM 237 C GLU A 28 28.009 35.517 36.538 1.00 0.00 ATOM 238 N ARG A 29 27.817 34.499 37.329 1.00 0.00 ATOM 239 CA ARG A 29 28.943 33.685 37.771 1.00 0.00 ATOM 240 CB ARG A 29 28.482 32.777 38.932 1.00 0.00 ATOM 241 CG ARG A 29 27.906 33.534 40.120 1.00 0.00 ATOM 242 CD ARG A 29 27.696 32.597 41.292 1.00 0.00 ATOM 243 NE ARG A 29 28.970 32.081 41.779 1.00 0.00 ATOM 244 CZ ARG A 29 29.103 30.997 42.533 1.00 0.00 ATOM 245 NH1 ARG A 29 28.033 30.299 42.891 1.00 0.00 ATOM 246 NH2 ARG A 29 30.309 30.613 42.929 1.00 0.00 ATOM 247 O ARG A 29 30.785 32.738 36.564 1.00 0.00 ATOM 248 C ARG A 29 29.562 32.892 36.622 1.00 0.00 ATOM 249 N CYS A 30 28.734 32.443 35.678 1.00 0.00 ATOM 250 CA CYS A 30 29.234 31.728 34.516 1.00 0.00 ATOM 251 CB CYS A 30 28.078 31.303 33.609 1.00 0.00 ATOM 252 SG CYS A 30 28.573 30.315 32.179 1.00 0.00 ATOM 253 O CYS A 30 31.231 32.199 33.284 1.00 0.00 ATOM 254 C CYS A 30 30.187 32.636 33.724 1.00 0.00 ATOM 255 N CYS A 31 29.795 33.882 33.551 1.00 0.00 ATOM 256 CA CYS A 31 30.621 34.902 32.927 1.00 0.00 ATOM 257 CB CYS A 31 29.914 36.258 32.957 1.00 0.00 ATOM 258 SG CYS A 31 30.817 37.589 32.131 1.00 0.00 ATOM 259 O CYS A 31 33.000 35.095 33.040 1.00 0.00 ATOM 260 C CYS A 31 31.951 35.081 33.648 1.00 0.00 ATOM 261 N SER A 32 31.896 35.151 34.971 1.00 0.00 ATOM 262 CA SER A 32 33.105 35.326 35.787 1.00 0.00 ATOM 263 CB SER A 32 32.742 35.407 37.271 1.00 0.00 ATOM 264 OG SER A 32 33.903 35.530 38.073 1.00 0.00 ATOM 265 O SER A 32 35.285 34.339 35.390 1.00 0.00 ATOM 266 C SER A 32 34.091 34.147 35.626 1.00 0.00 ATOM 267 N THR A 33 33.577 32.928 35.757 1.00 0.00 ATOM 268 CA THR A 33 34.376 31.713 35.635 1.00 0.00 ATOM 269 CB THR A 33 33.505 30.458 36.041 1.00 0.00 ATOM 270 CG2 THR A 33 34.306 29.163 35.857 1.00 0.00 ATOM 271 OG1 THR A 33 33.081 30.581 37.408 1.00 0.00 ATOM 272 O THR A 33 36.111 31.115 34.069 1.00 0.00 ATOM 273 C THR A 33 34.995 31.594 34.229 1.00 0.00 ATOM 274 N ALA A 34 34.237 31.992 33.210 1.00 0.00 ATOM 275 CA ALA A 34 34.697 31.949 31.813 1.00 0.00 ATOM 276 CB ALA A 34 33.592 32.411 30.875 1.00 0.00 ATOM 277 O ALA A 34 36.910 32.495 30.918 1.00 0.00 ATOM 278 C ALA A 34 35.931 32.874 31.602 1.00 0.00 ATOM 279 N TYR A 35 35.864 34.073 32.177 1.00 0.00 ATOM 280 CA TYR A 35 36.989 35.009 32.134 1.00 0.00 ATOM 281 CB TYR A 35 36.664 36.276 32.927 1.00 0.00 ATOM 282 CG TYR A 35 37.792 37.282 32.966 1.00 0.00 ATOM 283 CD1 TYR A 35 38.031 38.127 31.890 1.00 0.00 ATOM 284 CD2 TYR A 35 38.616 37.383 34.081 1.00 0.00 ATOM 285 CE1 TYR A 35 39.061 39.048 31.918 1.00 0.00 ATOM 286 CE2 TYR A 35 39.650 38.298 34.126 1.00 0.00 ATOM 287 CZ TYR A 35 39.868 39.134 33.032 1.00 0.00 ATOM 288 OH TYR A 35 40.893 40.051 33.061 1.00 0.00 ATOM 289 O TYR A 35 39.301 34.395 32.191 1.00 0.00 ATOM 290 C TYR A 35 38.222 34.366 32.768 1.00 0.00 ATOM 291 N TYR A 36 38.072 33.757 33.956 1.00 0.00 ATOM 292 CA TYR A 36 39.191 33.105 34.627 1.00 0.00 ATOM 293 CB TYR A 36 38.783 32.599 35.966 1.00 0.00 ATOM 294 CG TYR A 36 38.868 33.692 37.004 1.00 0.00 ATOM 295 CD1 TYR A 36 40.090 34.020 37.592 1.00 0.00 ATOM 296 CD2 TYR A 36 37.740 34.436 37.367 1.00 0.00 ATOM 297 CE1 TYR A 36 40.196 35.053 38.509 1.00 0.00 ATOM 298 CE2 TYR A 36 37.835 35.483 38.289 1.00 0.00 ATOM 299 CZ TYR A 36 39.070 35.782 38.854 1.00 0.00 ATOM 300 OH TYR A 36 39.191 36.805 39.764 1.00 0.00 ATOM 301 O TYR A 36 40.981 31.756 33.808 1.00 0.00 ATOM 302 C TYR A 36 39.763 31.937 33.849 1.00 0.00 ATOM 303 N ALA A 37 38.870 31.113 33.228 1.00 0.00 ATOM 304 CA ALA A 37 39.301 29.957 32.445 1.00 0.00 ATOM 305 CB ALA A 37 38.080 29.222 31.914 1.00 0.00 ATOM 306 O ALA A 37 41.122 29.788 30.870 1.00 0.00 ATOM 307 C ALA A 37 40.108 30.411 31.220 1.00 0.00 ATOM 308 N MET A 38 39.686 31.477 30.546 1.00 0.00 ATOM 309 CA MET A 38 40.432 31.974 29.388 1.00 0.00 ATOM 310 CB MET A 38 39.632 33.078 28.695 1.00 0.00 ATOM 311 CG MET A 38 38.349 32.595 28.036 1.00 0.00 ATOM 312 SD MET A 38 37.402 33.936 27.290 1.00 0.00 ATOM 313 CE MET A 38 38.449 34.358 25.901 1.00 0.00 ATOM 314 O MET A 38 42.812 32.294 29.165 1.00 0.00 ATOM 315 C MET A 38 41.787 32.558 29.810 1.00 0.00 ATOM 316 N PHE A 39 41.811 33.313 30.909 1.00 0.00 ATOM 317 CA PHE A 39 43.069 33.890 31.390 1.00 0.00 ATOM 318 CB PHE A 39 42.842 34.749 32.607 1.00 0.00 ATOM 319 CG PHE A 39 44.061 35.517 33.036 1.00 0.00 ATOM 320 CD1 PHE A 39 44.313 36.784 32.519 1.00 0.00 ATOM 321 CD2 PHE A 39 44.948 34.986 33.975 1.00 0.00 ATOM 322 CE1 PHE A 39 45.437 37.522 32.920 1.00 0.00 ATOM 323 CE2 PHE A 39 46.076 35.710 34.381 1.00 0.00 ATOM 324 CZ PHE A 39 46.313 36.983 33.854 1.00 0.00 ATOM 325 O PHE A 39 45.279 32.872 31.321 1.00 0.00 ATOM 326 C PHE A 39 44.089 32.797 31.697 1.00 0.00 ATOM 327 N HIS A 40 43.640 31.768 32.399 1.00 0.00 ATOM 328 CA HIS A 40 44.511 30.690 32.797 1.00 0.00 ATOM 329 CB HIS A 40 43.764 29.701 33.694 1.00 0.00 ATOM 330 CG HIS A 40 44.603 28.550 34.154 1.00 0.00 ATOM 331 CD2 HIS A 40 44.673 27.128 33.848 1.00 0.00 ATOM 332 ND1 HIS A 40 45.603 28.685 35.091 1.00 0.00 ATOM 333 CE1 HIS A 40 46.176 27.486 35.298 1.00 0.00 ATOM 334 NE2 HIS A 40 45.622 26.546 34.555 1.00 0.00 ATOM 335 O HIS A 40 46.209 29.594 31.501 1.00 0.00 ATOM 336 C HIS A 40 45.031 29.951 31.567 1.00 0.00 ATOM 337 N ALA A 41 44.156 29.713 30.542 1.00 0.00 ATOM 338 CA ALA A 41 44.561 29.006 29.331 1.00 0.00 ATOM 339 CB ALA A 41 43.372 28.908 28.387 1.00 0.00 ATOM 340 O ALA A 41 46.708 29.081 28.261 1.00 0.00 ATOM 341 C ALA A 41 45.721 29.714 28.617 1.00 0.00 ATOM 342 N ALA A 42 45.620 31.013 28.447 1.00 0.00 ATOM 343 CA ALA A 42 46.680 31.795 27.811 1.00 0.00 ATOM 344 CB ALA A 42 46.180 33.267 27.614 1.00 0.00 ATOM 345 O ALA A 42 49.089 31.674 28.068 1.00 0.00 ATOM 346 C ALA A 42 47.984 31.803 28.622 1.00 0.00 ATOM 347 N LYS A 43 47.847 31.812 29.959 1.00 0.00 ATOM 348 CA LYS A 43 49.010 31.693 30.841 1.00 0.00 ATOM 349 CB LYS A 43 48.585 31.808 32.306 1.00 0.00 ATOM 350 CG LYS A 43 49.738 31.742 33.294 1.00 0.00 ATOM 351 CD LYS A 43 49.256 31.948 34.720 1.00 0.00 ATOM 352 CE LYS A 43 50.413 31.900 35.707 1.00 0.00 ATOM 353 NZ LYS A 43 49.955 32.104 37.109 1.00 0.00 ATOM 354 O LYS A 43 50.965 30.301 30.882 1.00 0.00 ATOM 355 C LYS A 43 49.754 30.365 30.695 1.00 0.00 ATOM 356 N ALA A 44 49.009 29.283 30.374 1.00 0.00 ATOM 357 CA ALA A 44 49.611 27.967 30.191 1.00 0.00 ATOM 358 CB ALA A 44 48.546 26.913 30.041 1.00 0.00 ATOM 359 O ALA A 44 51.663 27.384 29.062 1.00 0.00 ATOM 360 C ALA A 44 50.596 28.014 29.022 1.00 0.00 ATOM 361 N MET A 45 50.271 28.813 27.992 1.00 0.00 ATOM 362 CA MET A 45 51.163 29.009 26.840 1.00 0.00 ATOM 363 CB MET A 45 50.552 29.963 25.812 1.00 0.00 ATOM 364 CG MET A 45 51.405 30.170 24.572 1.00 0.00 ATOM 365 SD MET A 45 50.638 31.276 23.374 1.00 0.00 ATOM 366 CE MET A 45 49.225 30.300 22.866 1.00 0.00 ATOM 367 O MET A 45 53.567 29.154 26.841 1.00 0.00 ATOM 368 C MET A 45 52.491 29.655 27.252 1.00 0.00 ATOM 369 N LEU A 46 52.446 30.725 27.980 1.00 0.00 ATOM 370 CA LEU A 46 53.654 31.428 28.423 1.00 0.00 ATOM 371 CB LEU A 46 53.283 32.610 29.321 1.00 0.00 ATOM 372 CG LEU A 46 52.680 33.829 28.624 1.00 0.00 ATOM 373 CD1 LEU A 46 52.186 34.844 29.644 1.00 0.00 ATOM 374 CD2 LEU A 46 53.714 34.509 27.738 1.00 0.00 ATOM 375 O LEU A 46 55.763 30.431 29.001 1.00 0.00 ATOM 376 C LEU A 46 54.555 30.509 29.242 1.00 0.00 ATOM 377 N LEU A 47 53.953 29.798 30.192 1.00 0.00 ATOM 378 CA LEU A 47 54.684 28.884 31.058 1.00 0.00 ATOM 379 CB LEU A 47 53.744 28.251 32.085 1.00 0.00 ATOM 380 CG LEU A 47 53.197 29.184 33.168 1.00 0.00 ATOM 381 CD1 LEU A 47 52.144 28.475 34.005 1.00 0.00 ATOM 382 CD2 LEU A 47 54.312 29.642 34.096 1.00 0.00 ATOM 383 O LEU A 47 56.469 27.363 30.523 1.00 0.00 ATOM 384 C LEU A 47 55.336 27.736 30.254 1.00 0.00 ATOM 385 N GLY A 48 54.635 27.173 29.292 1.00 0.00 ATOM 386 CA GLY A 48 55.191 26.150 28.416 1.00 0.00 ATOM 387 O GLY A 48 57.203 25.922 27.143 1.00 0.00 ATOM 388 C GLY A 48 56.350 26.685 27.594 1.00 0.00 ATOM 389 N TYR A 49 56.362 28.016 27.389 1.00 0.00 ATOM 390 CA TYR A 49 57.434 28.651 26.627 1.00 0.00 ATOM 391 CB TYR A 49 56.915 29.701 25.683 1.00 0.00 ATOM 392 CG TYR A 49 56.159 29.130 24.509 1.00 0.00 ATOM 393 CD1 TYR A 49 54.809 28.744 24.618 1.00 0.00 ATOM 394 CD2 TYR A 49 56.771 29.003 23.276 1.00 0.00 ATOM 395 CE1 TYR A 49 54.114 28.275 23.507 1.00 0.00 ATOM 396 CE2 TYR A 49 56.082 28.540 22.183 1.00 0.00 ATOM 397 CZ TYR A 49 54.749 28.178 22.274 1.00 0.00 ATOM 398 OH TYR A 49 54.101 27.736 21.172 1.00 0.00 ATOM 399 O TYR A 49 59.456 29.825 27.128 1.00 0.00 ATOM 400 C TYR A 49 58.513 29.178 27.571 1.00 0.00 ATOM 401 N GLY A 50 58.387 29.008 28.808 1.00 0.00 ATOM 402 CA GLY A 50 59.357 29.515 29.771 1.00 0.00 ATOM 403 O GLY A 50 60.196 31.504 30.833 1.00 0.00 ATOM 404 C GLY A 50 59.290 30.995 30.157 1.00 0.00 ATOM 405 N ARG A 51 58.214 31.688 29.750 1.00 0.00 ATOM 406 CA ARG A 51 58.093 33.119 30.033 1.00 0.00 ATOM 407 CB ARG A 51 57.073 33.774 29.105 1.00 0.00 ATOM 408 CG ARG A 51 57.436 33.707 27.631 1.00 0.00 ATOM 409 CD ARG A 51 58.595 34.594 27.291 1.00 0.00 ATOM 410 NE ARG A 51 58.884 34.623 25.856 1.00 0.00 ATOM 411 CZ ARG A 51 59.760 33.835 25.227 1.00 0.00 ATOM 412 NH1 ARG A 51 60.472 32.918 25.872 1.00 0.00 ATOM 413 NH2 ARG A 51 59.926 33.984 23.915 1.00 0.00 ATOM 414 O ARG A 51 56.884 32.498 32.016 1.00 0.00 ATOM 415 C ARG A 51 57.505 33.380 31.426 1.00 0.00 ATOM 416 N ASP A 52 57.708 34.588 31.949 1.00 0.00 ATOM 417 CA ASP A 52 57.160 34.952 33.256 1.00 0.00 ATOM 418 CB ASP A 52 58.170 35.863 33.977 1.00 0.00 ATOM 419 CG ASP A 52 57.881 36.043 35.453 1.00 0.00 ATOM 420 OD1 ASP A 52 56.698 35.996 35.849 1.00 0.00 ATOM 421 OD2 ASP A 52 58.849 36.252 36.217 1.00 0.00 ATOM 422 O ASP A 52 55.634 36.587 32.338 1.00 0.00 ATOM 423 C ASP A 52 55.790 35.612 33.079 1.00 0.00 ATOM 424 N SER A 53 54.769 35.079 33.777 1.00 0.00 ATOM 425 CA SER A 53 53.390 35.457 33.541 1.00 0.00 ATOM 426 CB SER A 53 52.415 34.385 34.030 1.00 0.00 ATOM 427 OG SER A 53 52.492 34.228 35.435 1.00 0.00 ATOM 428 O SER A 53 52.090 37.491 33.712 1.00 0.00 ATOM 429 C SER A 53 53.037 36.809 34.164 1.00 0.00 ATOM 430 N LYS A 54 53.831 37.189 35.237 1.00 0.00 ATOM 431 CA LYS A 54 53.466 38.362 36.014 1.00 0.00 ATOM 432 CB LYS A 54 53.943 38.217 37.467 1.00 0.00 ATOM 433 CG LYS A 54 53.440 36.954 38.130 1.00 0.00 ATOM 434 CD LYS A 54 54.038 36.785 39.513 1.00 0.00 ATOM 435 CE LYS A 54 53.477 35.559 40.200 1.00 0.00 ATOM 436 NZ LYS A 54 53.001 35.893 41.572 1.00 0.00 ATOM 437 O LYS A 54 55.224 39.791 35.163 1.00 0.00 ATOM 438 C LYS A 54 54.039 39.677 35.469 1.00 0.00 ATOM 439 N THR A 55 53.424 40.844 35.941 1.00 0.00 ATOM 440 CA THR A 55 53.857 42.198 35.740 1.00 0.00 ATOM 441 CB THR A 55 55.388 42.284 35.590 1.00 0.00 ATOM 442 CG2 THR A 55 56.075 41.725 36.827 1.00 0.00 ATOM 443 OG1 THR A 55 55.802 41.528 34.446 1.00 0.00 ATOM 444 O THR A 55 52.375 42.189 33.854 1.00 0.00 ATOM 445 C THR A 55 53.234 42.775 34.510 1.00 0.00 ATOM 446 N HIS A 56 53.698 43.957 34.188 1.00 0.00 ATOM 447 CA HIS A 56 53.147 44.689 33.044 1.00 0.00 ATOM 448 CB HIS A 56 54.024 45.913 32.685 1.00 0.00 ATOM 449 CG HIS A 56 54.216 46.886 33.812 1.00 0.00 ATOM 450 CD2 HIS A 56 53.549 48.021 34.137 1.00 0.00 ATOM 451 ND1 HIS A 56 55.172 46.705 34.792 1.00 0.00 ATOM 452 CE1 HIS A 56 55.087 47.693 35.669 1.00 0.00 ATOM 453 NE2 HIS A 56 54.113 48.505 35.296 1.00 0.00 ATOM 454 O HIS A 56 52.124 43.709 31.080 1.00 0.00 ATOM 455 C HIS A 56 53.148 43.829 31.773 1.00 0.00 ATOM 456 N ARG A 57 54.277 43.179 31.492 1.00 0.00 ATOM 457 CA ARG A 57 54.370 42.337 30.296 1.00 0.00 ATOM 458 CB ARG A 57 55.812 41.783 30.179 1.00 0.00 ATOM 459 CG ARG A 57 56.011 40.728 29.094 1.00 0.00 ATOM 460 CD ARG A 57 57.484 40.263 29.030 1.00 0.00 ATOM 461 NE ARG A 57 57.958 39.477 30.195 1.00 0.00 ATOM 462 CZ ARG A 57 57.623 38.222 30.493 1.00 0.00 ATOM 463 NH1 ARG A 57 56.774 37.525 29.741 1.00 0.00 ATOM 464 NH2 ARG A 57 58.196 37.623 31.549 1.00 0.00 ATOM 465 O ARG A 57 52.701 40.897 29.333 1.00 0.00 ATOM 466 C ARG A 57 53.388 41.172 30.323 1.00 0.00 ATOM 467 N GLY A 58 53.351 40.475 31.447 1.00 0.00 ATOM 468 CA GLY A 58 52.458 39.339 31.587 1.00 0.00 ATOM 469 O GLY A 58 50.215 38.990 30.842 1.00 0.00 ATOM 470 C GLY A 58 51.005 39.733 31.428 1.00 0.00 ATOM 471 N THR A 59 50.649 40.884 31.939 1.00 0.00 ATOM 472 CA THR A 59 49.275 41.353 31.849 1.00 0.00 ATOM 473 CB THR A 59 48.991 42.474 32.877 1.00 0.00 ATOM 474 CG2 THR A 59 49.090 41.841 34.273 1.00 0.00 ATOM 475 OG1 THR A 59 49.949 43.538 32.746 1.00 0.00 ATOM 476 O THR A 59 47.764 42.511 30.403 1.00 0.00 ATOM 477 C THR A 59 48.883 42.009 30.529 1.00 0.00 ATOM 478 N ILE A 60 49.997 41.998 29.593 1.00 0.00 ATOM 479 CA ILE A 60 49.689 42.625 28.313 1.00 0.00 ATOM 480 CB ILE A 60 51.033 43.137 27.558 1.00 0.00 ATOM 481 CG1 ILE A 60 52.106 43.681 28.491 1.00 0.00 ATOM 482 CG2 ILE A 60 50.770 44.132 26.433 1.00 0.00 ATOM 483 CD1 ILE A 60 53.499 43.687 27.839 1.00 0.00 ATOM 484 O ILE A 60 48.890 41.197 26.538 1.00 0.00 ATOM 485 C ILE A 60 48.631 41.806 27.576 1.00 0.00 ATOM 486 N TYR A 61 47.359 41.901 28.173 1.00 0.00 ATOM 487 CA TYR A 61 46.203 41.234 27.583 1.00 0.00 ATOM 488 CB TYR A 61 45.404 42.458 26.917 1.00 0.00 ATOM 489 CG TYR A 61 44.001 42.279 26.419 1.00 0.00 ATOM 490 CD1 TYR A 61 42.944 42.921 27.044 1.00 0.00 ATOM 491 CD2 TYR A 61 43.737 41.531 25.271 1.00 0.00 ATOM 492 CE1 TYR A 61 41.645 42.801 26.562 1.00 0.00 ATOM 493 CE2 TYR A 61 42.450 41.409 24.787 1.00 0.00 ATOM 494 CZ TYR A 61 41.412 42.049 25.432 1.00 0.00 ATOM 495 OH TYR A 61 40.131 41.943 24.939 1.00 0.00 ATOM 496 O TYR A 61 46.849 39.758 25.798 1.00 0.00 ATOM 497 C TYR A 61 46.711 39.912 27.014 1.00 0.00 ATOM 498 N LEU A 62 47.033 38.973 28.003 1.00 0.00 ATOM 499 CA LEU A 62 47.586 37.699 27.561 1.00 0.00 ATOM 500 CB LEU A 62 46.822 36.504 28.223 1.00 0.00 ATOM 501 CG LEU A 62 46.811 36.458 29.773 1.00 0.00 ATOM 502 CD1 LEU A 62 45.919 35.302 30.214 1.00 0.00 ATOM 503 CD2 LEU A 62 48.234 36.264 30.286 1.00 0.00 ATOM 504 O LEU A 62 48.751 36.951 25.608 1.00 0.00 ATOM 505 C LEU A 62 47.679 37.286 26.074 1.00 0.00 ATOM 506 N ILE A 63 46.555 37.310 25.383 1.00 0.00 ATOM 507 CA ILE A 63 46.564 36.952 23.950 1.00 0.00 ATOM 508 CB ILE A 63 45.149 36.961 23.341 1.00 0.00 ATOM 509 CG1 ILE A 63 44.323 35.798 23.897 1.00 0.00 ATOM 510 CG2 ILE A 63 45.217 36.823 21.829 1.00 0.00 ATOM 511 CD1 ILE A 63 42.850 35.878 23.559 1.00 0.00 ATOM 512 O ILE A 63 48.259 37.458 22.312 1.00 0.00 ATOM 513 C ILE A 63 47.491 37.889 23.172 1.00 0.00 ATOM 514 N TRP A 64 47.407 39.158 23.515 1.00 0.00 ATOM 515 CA TRP A 64 48.229 40.168 22.859 1.00 0.00 ATOM 516 CB TRP A 64 47.994 41.560 23.449 1.00 0.00 ATOM 517 CG TRP A 64 46.663 42.146 23.091 1.00 0.00 ATOM 518 CD1 TRP A 64 45.784 41.675 22.158 1.00 0.00 ATOM 519 CD2 TRP A 64 46.060 43.316 23.658 1.00 0.00 ATOM 520 CE2 TRP A 64 44.814 43.492 23.022 1.00 0.00 ATOM 521 CE3 TRP A 64 46.448 44.230 24.641 1.00 0.00 ATOM 522 NE1 TRP A 64 44.668 42.477 22.110 1.00 0.00 ATOM 523 CZ2 TRP A 64 43.957 44.545 23.336 1.00 0.00 ATOM 524 CZ3 TRP A 64 45.595 45.273 24.950 1.00 0.00 ATOM 525 CH2 TRP A 64 44.365 45.425 24.303 1.00 0.00 ATOM 526 O TRP A 64 50.455 39.810 22.044 1.00 0.00 ATOM 527 C TRP A 64 49.705 39.816 23.018 1.00 0.00 ATOM 528 N GLU A 65 50.153 39.509 24.231 1.00 0.00 ATOM 529 CA GLU A 65 51.546 39.157 24.485 1.00 0.00 ATOM 530 CB GLU A 65 51.775 38.891 25.974 1.00 0.00 ATOM 531 CG GLU A 65 53.212 38.544 26.329 1.00 0.00 ATOM 532 CD GLU A 65 54.163 39.704 26.109 1.00 0.00 ATOM 533 OE1 GLU A 65 53.679 40.833 25.882 1.00 0.00 ATOM 534 OE2 GLU A 65 55.391 39.484 26.162 1.00 0.00 ATOM 535 O GLU A 65 53.014 37.717 23.229 1.00 0.00 ATOM 536 C GLU A 65 51.907 37.871 23.743 1.00 0.00 ATOM 537 N CYS A 66 50.944 36.937 23.694 1.00 0.00 ATOM 538 CA CYS A 66 51.162 35.667 23.022 1.00 0.00 ATOM 539 CB CYS A 66 49.948 34.757 23.216 1.00 0.00 ATOM 540 SG CYS A 66 49.717 34.172 24.911 1.00 0.00 ATOM 541 O CYS A 66 52.027 35.052 20.868 1.00 0.00 ATOM 542 C CYS A 66 51.363 35.857 21.520 1.00 0.00 ATOM 543 N ARG A 67 50.770 36.954 20.907 1.00 0.00 ATOM 544 CA ARG A 67 50.872 37.237 19.478 1.00 0.00 ATOM 545 CB ARG A 67 49.997 38.492 19.135 1.00 0.00 ATOM 546 CG ARG A 67 50.049 38.833 17.654 1.00 0.00 ATOM 547 CD ARG A 67 49.208 40.042 17.316 1.00 0.00 ATOM 548 NE ARG A 67 47.782 39.755 17.428 1.00 0.00 ATOM 549 CZ ARG A 67 46.978 40.288 18.343 1.00 0.00 ATOM 550 NH1 ARG A 67 47.445 41.149 19.243 1.00 0.00 ATOM 551 NH2 ARG A 67 45.696 39.948 18.368 1.00 0.00 ATOM 552 O ARG A 67 52.624 37.044 17.860 1.00 0.00 ATOM 553 C ARG A 67 52.315 37.387 19.001 1.00 0.00 ATOM 554 N GLU A 68 53.212 37.876 19.844 1.00 0.00 ATOM 555 CA GLU A 68 54.611 38.067 19.461 1.00 0.00 ATOM 556 CB GLU A 68 55.373 38.730 20.611 1.00 0.00 ATOM 557 CG GLU A 68 54.963 40.168 20.879 1.00 0.00 ATOM 558 CD GLU A 68 55.686 40.767 22.070 1.00 0.00 ATOM 559 OE1 GLU A 68 56.479 40.043 22.710 1.00 0.00 ATOM 560 OE2 GLU A 68 55.461 41.960 22.363 1.00 0.00 ATOM 561 O GLU A 68 56.325 36.731 18.426 1.00 0.00 ATOM 562 C GLU A 68 55.298 36.749 19.107 1.00 0.00 ATOM 563 N GLU A 69 54.709 35.645 19.552 1.00 0.00 ATOM 564 CA GLU A 69 55.320 34.333 19.415 1.00 0.00 ATOM 565 CB GLU A 69 55.498 33.692 20.792 1.00 0.00 ATOM 566 CG GLU A 69 56.483 34.418 21.692 1.00 0.00 ATOM 567 CD GLU A 69 56.542 33.829 23.088 1.00 0.00 ATOM 568 OE1 GLU A 69 55.763 32.895 23.372 1.00 0.00 ATOM 569 OE2 GLU A 69 57.368 34.301 23.897 1.00 0.00 ATOM 570 O GLU A 69 55.060 32.520 17.823 1.00 0.00 ATOM 571 C GLU A 69 54.499 33.336 18.577 1.00 0.00 ATOM 572 N LEU A 70 53.202 33.388 18.744 1.00 0.00 ATOM 573 CA LEU A 70 52.261 32.541 18.016 1.00 0.00 ATOM 574 CB LEU A 70 51.533 31.592 18.971 1.00 0.00 ATOM 575 CG LEU A 70 52.413 30.625 19.766 1.00 0.00 ATOM 576 CD1 LEU A 70 51.577 29.831 20.759 1.00 0.00 ATOM 577 CD2 LEU A 70 53.109 29.644 18.836 1.00 0.00 ATOM 578 O LEU A 70 50.818 34.393 17.759 1.00 0.00 ATOM 579 C LEU A 70 51.227 33.362 17.285 1.00 0.00 ATOM 580 N GLY A 71 50.765 32.851 16.160 1.00 0.00 ATOM 581 CA GLY A 71 49.679 33.484 15.465 1.00 0.00 ATOM 582 O GLY A 71 47.872 32.126 16.228 1.00 0.00 ATOM 583 C GLY A 71 48.342 33.258 16.130 1.00 0.00 ATOM 584 N LEU A 72 47.711 34.347 16.616 1.00 0.00 ATOM 585 CA LEU A 72 46.408 34.227 17.286 1.00 0.00 ATOM 586 CB LEU A 72 46.445 34.976 18.617 1.00 0.00 ATOM 587 CG LEU A 72 47.531 34.609 19.629 1.00 0.00 ATOM 588 CD1 LEU A 72 47.587 35.680 20.703 1.00 0.00 ATOM 589 CD2 LEU A 72 47.243 33.243 20.233 1.00 0.00 ATOM 590 O LEU A 72 45.315 35.858 15.891 1.00 0.00 ATOM 591 C LEU A 72 45.316 34.685 16.331 1.00 0.00 ATOM 592 N SER A 73 44.374 33.803 16.034 1.00 0.00 ATOM 593 CA SER A 73 43.298 34.165 15.123 1.00 0.00 ATOM 594 CB SER A 73 42.302 33.011 14.983 1.00 0.00 ATOM 595 OG SER A 73 41.210 33.377 14.158 1.00 0.00 ATOM 596 O SER A 73 42.362 35.588 16.860 1.00 0.00 ATOM 597 C SER A 73 42.559 35.376 15.653 1.00 0.00 ATOM 598 N ASP A 74 42.184 36.220 14.657 1.00 0.00 ATOM 599 CA ASP A 74 41.465 37.469 14.974 1.00 0.00 ATOM 600 CB ASP A 74 41.072 38.178 13.675 1.00 0.00 ATOM 601 CG ASP A 74 42.260 38.803 12.971 1.00 0.00 ATOM 602 OD1 ASP A 74 43.339 38.896 13.595 1.00 0.00 ATOM 603 OD2 ASP A 74 42.113 39.200 11.796 1.00 0.00 ATOM 604 O ASP A 74 39.893 37.969 16.672 1.00 0.00 ATOM 605 C ASP A 74 40.208 37.209 15.760 1.00 0.00 ATOM 606 N ASP A 75 39.466 36.167 15.398 1.00 0.00 ATOM 607 CA ASP A 75 38.213 35.870 16.085 1.00 0.00 ATOM 608 CB ASP A 75 37.515 34.673 15.434 1.00 0.00 ATOM 609 CG ASP A 75 36.908 35.016 14.089 1.00 0.00 ATOM 610 OD1 ASP A 75 36.820 36.220 13.763 1.00 0.00 ATOM 611 OD2 ASP A 75 36.518 34.082 13.357 1.00 0.00 ATOM 612 O ASP A 75 37.711 36.043 18.429 1.00 0.00 ATOM 613 C ASP A 75 38.478 35.633 17.566 1.00 0.00 ATOM 614 N ASP A 76 39.573 34.945 17.922 1.00 0.00 ATOM 615 CA ASP A 76 39.843 34.669 19.333 1.00 0.00 ATOM 616 CB ASP A 76 41.063 33.756 19.466 1.00 0.00 ATOM 617 CG ASP A 76 40.760 32.319 19.090 1.00 0.00 ATOM 618 OD1 ASP A 76 39.565 31.978 18.967 1.00 0.00 ATOM 619 OD2 ASP A 76 41.716 31.535 18.920 1.00 0.00 ATOM 620 O ASP A 76 39.800 36.101 21.207 1.00 0.00 ATOM 621 C ASP A 76 40.143 35.966 20.070 1.00 0.00 ATOM 622 N CYS A 77 40.852 36.900 19.438 1.00 0.00 ATOM 623 CA CYS A 77 41.065 38.210 20.074 1.00 0.00 ATOM 624 CB CYS A 77 41.884 39.137 19.250 1.00 0.00 ATOM 625 SG CYS A 77 43.618 38.584 19.185 1.00 0.00 ATOM 626 O CYS A 77 39.407 39.430 21.315 1.00 0.00 ATOM 627 C CYS A 77 39.696 38.865 20.258 1.00 0.00 ATOM 628 N SER A 78 38.829 38.783 19.228 1.00 0.00 ATOM 629 CA SER A 78 37.499 39.373 19.317 1.00 0.00 ATOM 630 CB SER A 78 36.719 39.035 18.045 1.00 0.00 ATOM 631 OG SER A 78 37.249 39.721 16.925 1.00 0.00 ATOM 632 O SER A 78 36.054 39.486 21.236 1.00 0.00 ATOM 633 C SER A 78 36.725 38.772 20.484 1.00 0.00 ATOM 634 N LYS A 79 36.888 37.505 20.604 1.00 0.00 ATOM 635 CA LYS A 79 36.219 36.802 21.690 1.00 0.00 ATOM 636 CB LYS A 79 36.302 35.280 21.421 1.00 0.00 ATOM 637 CG LYS A 79 35.503 34.868 20.201 1.00 0.00 ATOM 638 CD LYS A 79 35.688 33.385 19.946 1.00 0.00 ATOM 639 CE LYS A 79 34.876 33.001 18.763 1.00 0.00 ATOM 640 NZ LYS A 79 34.956 31.527 18.594 1.00 0.00 ATOM 641 O LYS A 79 36.063 37.261 24.046 1.00 0.00 ATOM 642 C LYS A 79 36.798 37.168 23.063 1.00 0.00 ATOM 643 N LEU A 80 38.096 37.360 23.119 1.00 0.00 ATOM 644 CA LEU A 80 38.719 37.724 24.392 1.00 0.00 ATOM 645 CB LEU A 80 40.236 37.792 24.206 1.00 0.00 ATOM 646 CG LEU A 80 41.057 38.133 25.451 1.00 0.00 ATOM 647 CD1 LEU A 80 40.859 37.079 26.530 1.00 0.00 ATOM 648 CD2 LEU A 80 42.539 38.198 25.115 1.00 0.00 ATOM 649 O LEU A 80 37.974 39.295 26.057 1.00 0.00 ATOM 650 C LEU A 80 38.233 39.097 24.869 1.00 0.00 ATOM 651 N SER A 81 38.077 39.995 23.942 1.00 0.00 ATOM 652 CA SER A 81 37.615 41.327 24.302 1.00 0.00 ATOM 653 CB SER A 81 37.691 42.259 23.092 1.00 0.00 ATOM 654 OG SER A 81 39.030 42.437 22.667 1.00 0.00 ATOM 655 O SER A 81 35.846 41.945 25.792 1.00 0.00 ATOM 656 C SER A 81 36.195 41.247 24.843 1.00 0.00 ATOM 657 N ARG A 82 35.360 40.394 24.241 1.00 0.00 ATOM 658 CA ARG A 82 33.988 40.267 24.724 1.00 0.00 ATOM 659 CB ARG A 82 33.159 39.381 23.842 1.00 0.00 ATOM 660 CG ARG A 82 32.888 40.044 22.504 1.00 0.00 ATOM 661 CD ARG A 82 32.005 39.192 21.617 1.00 0.00 ATOM 662 NE ARG A 82 32.755 38.203 20.861 1.00 0.00 ATOM 663 CZ ARG A 82 33.350 38.453 19.705 1.00 0.00 ATOM 664 NH1 ARG A 82 33.295 39.660 19.182 1.00 0.00 ATOM 665 NH2 ARG A 82 33.959 37.482 19.051 1.00 0.00 ATOM 666 O ARG A 82 33.250 40.072 26.974 1.00 0.00 ATOM 667 C ARG A 82 34.012 39.662 26.113 1.00 0.00 ATOM 668 N ALA A 83 34.892 38.687 26.347 1.00 0.00 ATOM 669 CA ALA A 83 34.973 38.072 27.665 1.00 0.00 ATOM 670 CB ALA A 83 35.916 36.881 27.586 1.00 0.00 ATOM 671 O ALA A 83 35.168 38.846 29.913 1.00 0.00 ATOM 672 C ALA A 83 35.490 39.006 28.737 1.00 0.00 ATOM 673 N PHE A 84 36.288 39.975 28.324 1.00 0.00 ATOM 674 CA PHE A 84 36.876 40.927 29.245 1.00 0.00 ATOM 675 CB PHE A 84 38.112 41.586 28.498 1.00 0.00 ATOM 676 CG PHE A 84 38.859 42.593 29.332 1.00 0.00 ATOM 677 CD1 PHE A 84 39.827 42.181 30.245 1.00 0.00 ATOM 678 CD2 PHE A 84 38.577 43.952 29.223 1.00 0.00 ATOM 679 CE1 PHE A 84 40.502 43.109 31.038 1.00 0.00 ATOM 680 CE2 PHE A 84 39.249 44.891 30.015 1.00 0.00 ATOM 681 CZ PHE A 84 40.210 44.468 30.922 1.00 0.00 ATOM 682 O PHE A 84 36.105 42.431 30.934 1.00 0.00 ATOM 683 C PHE A 84 35.849 41.876 29.864 1.00 0.00 ATOM 684 N ASP A 85 34.720 42.072 29.195 1.00 0.00 ATOM 685 CA ASP A 85 33.682 43.008 29.670 1.00 0.00 ATOM 686 CB ASP A 85 32.603 43.199 28.603 1.00 0.00 ATOM 687 CG ASP A 85 33.088 44.021 27.425 1.00 0.00 ATOM 688 OD1 ASP A 85 34.180 44.619 27.528 1.00 0.00 ATOM 689 OD2 ASP A 85 32.377 44.067 26.399 1.00 0.00 ATOM 690 O ASP A 85 32.924 41.374 31.271 1.00 0.00 ATOM 691 C ASP A 85 32.956 42.557 30.946 1.00 0.00 ATOM 692 N LEU A 86 32.325 43.599 31.620 1.00 0.00 ATOM 693 CA LEU A 86 31.715 43.274 32.915 1.00 0.00 ATOM 694 CB LEU A 86 31.072 44.518 33.531 1.00 0.00 ATOM 695 CG LEU A 86 32.029 45.632 33.965 1.00 0.00 ATOM 696 CD1 LEU A 86 31.253 46.854 34.433 1.00 0.00 ATOM 697 CD2 LEU A 86 32.915 45.164 35.109 1.00 0.00 ATOM 698 O LEU A 86 29.775 42.254 31.900 1.00 0.00 ATOM 699 C LEU A 86 30.621 42.207 32.817 1.00 0.00 ATOM 700 N ARG A 87 30.653 41.259 33.769 1.00 0.00 ATOM 701 CA ARG A 87 29.582 40.281 33.905 1.00 0.00 ATOM 702 CB ARG A 87 29.949 39.631 35.454 1.00 0.00 ATOM 703 CG ARG A 87 31.346 39.811 36.004 1.00 0.00 ATOM 704 CD ARG A 87 32.225 38.608 35.718 1.00 0.00 ATOM 705 NE ARG A 87 33.506 38.729 36.408 1.00 0.00 ATOM 706 CZ ARG A 87 34.506 39.508 36.007 1.00 0.00 ATOM 707 NH1 ARG A 87 34.387 40.237 34.906 1.00 0.00 ATOM 708 NH2 ARG A 87 35.618 39.573 36.724 1.00 0.00 ATOM 709 O ARG A 87 27.220 40.652 33.695 1.00 0.00 ATOM 710 C ARG A 87 28.276 41.004 34.222 1.00 0.00 ATOM 711 N GLU A 88 28.345 41.993 35.106 1.00 0.00 ATOM 712 CA GLU A 88 27.161 42.757 35.482 1.00 0.00 ATOM 713 CB GLU A 88 27.495 43.776 36.573 1.00 0.00 ATOM 714 CG GLU A 88 27.781 43.159 37.933 1.00 0.00 ATOM 715 CD GLU A 88 28.228 44.186 38.955 1.00 0.00 ATOM 716 OE1 GLU A 88 28.385 45.368 38.582 1.00 0.00 ATOM 717 OE2 GLU A 88 28.422 43.809 40.131 1.00 0.00 ATOM 718 O GLU A 88 25.388 43.587 34.116 1.00 0.00 ATOM 719 C GLU A 88 26.605 43.517 34.294 1.00 0.00 ATOM 720 N GLU A 89 27.493 44.091 33.483 1.00 0.00 ATOM 721 CA GLU A 89 27.062 44.819 32.292 1.00 0.00 ATOM 722 CB GLU A 89 28.273 45.304 31.493 1.00 0.00 ATOM 723 CG GLU A 89 27.919 46.108 30.253 1.00 0.00 ATOM 724 CD GLU A 89 29.143 46.600 29.508 1.00 0.00 ATOM 725 OE1 GLU A 89 30.271 46.324 29.970 1.00 0.00 ATOM 726 OE2 GLU A 89 28.976 47.260 28.462 1.00 0.00 ATOM 727 O GLU A 89 25.218 44.297 30.833 1.00 0.00 ATOM 728 C GLU A 89 26.285 43.914 31.364 1.00 0.00 ATOM 729 N SER A 90 26.770 42.679 31.165 1.00 0.00 ATOM 730 CA SER A 90 26.067 41.742 30.305 1.00 0.00 ATOM 731 CB SER A 90 26.882 40.458 30.108 1.00 0.00 ATOM 732 OG SER A 90 28.041 40.762 29.348 1.00 0.00 ATOM 733 O SER A 90 23.704 41.361 30.201 1.00 0.00 ATOM 734 C SER A 90 24.710 41.387 30.894 1.00 0.00 ATOM 735 N ASP A 91 24.689 41.093 32.196 1.00 0.00 ATOM 736 CA ASP A 91 23.440 40.747 32.873 1.00 0.00 ATOM 737 CB ASP A 91 23.709 40.373 34.328 1.00 0.00 ATOM 738 CG ASP A 91 24.454 39.064 34.455 1.00 0.00 ATOM 739 OD1 ASP A 91 24.444 38.244 33.508 1.00 0.00 ATOM 740 OD2 ASP A 91 25.063 38.854 35.529 1.00 0.00 ATOM 741 O ASP A 91 21.280 41.751 32.520 1.00 0.00 ATOM 742 C ASP A 91 22.469 41.913 32.788 1.00 0.00 ATOM 743 N TYR A 92 23.006 43.113 33.000 1.00 0.00 ATOM 744 CA TYR A 92 22.185 44.309 32.920 1.00 0.00 ATOM 745 CB TYR A 92 23.046 45.533 33.286 1.00 0.00 ATOM 746 CG TYR A 92 22.170 46.770 33.219 1.00 0.00 ATOM 747 CD1 TYR A 92 21.340 47.104 34.282 1.00 0.00 ATOM 748 CD2 TYR A 92 22.181 47.558 32.077 1.00 0.00 ATOM 749 CE1 TYR A 92 20.526 48.227 34.194 1.00 0.00 ATOM 750 CE2 TYR A 92 21.380 48.682 31.996 1.00 0.00 ATOM 751 CZ TYR A 92 20.558 49.000 33.055 1.00 0.00 ATOM 752 OH TYR A 92 19.759 50.110 32.940 1.00 0.00 ATOM 753 O TYR A 92 20.442 44.769 31.335 1.00 0.00 ATOM 754 C TYR A 92 21.633 44.522 31.512 1.00 0.00 ATOM 755 N GLY A 93 22.493 44.445 30.514 1.00 0.00 ATOM 756 CA GLY A 93 22.064 44.639 29.141 1.00 0.00 ATOM 757 O GLY A 93 20.086 43.795 28.072 1.00 0.00 ATOM 758 C GLY A 93 21.111 43.531 28.702 1.00 0.00 ATOM 759 N ILE A 94 21.441 42.297 29.050 1.00 0.00 ATOM 760 CA ILE A 94 20.616 41.132 28.719 1.00 0.00 ATOM 761 CB ILE A 94 21.441 39.953 28.088 1.00 0.00 ATOM 762 CG1 ILE A 94 22.479 39.467 29.099 1.00 0.00 ATOM 763 CG2 ILE A 94 22.090 40.387 26.773 1.00 0.00 ATOM 764 CD1 ILE A 94 23.137 38.156 28.706 1.00 0.00 ATOM 765 O ILE A 94 20.371 40.484 31.024 1.00 0.00 ATOM 766 C ILE A 94 19.807 40.671 29.940 1.00 0.00 ATOM 767 N TYR A 95 18.500 40.484 29.765 1.00 0.00 ATOM 768 CA TYR A 95 17.651 40.056 30.873 1.00 0.00 ATOM 769 CB TYR A 95 16.445 40.977 30.988 1.00 0.00 ATOM 770 CG TYR A 95 16.812 42.392 31.383 1.00 0.00 ATOM 771 CD1 TYR A 95 17.613 42.642 32.502 1.00 0.00 ATOM 772 CD2 TYR A 95 16.373 43.477 30.631 1.00 0.00 ATOM 773 CE1 TYR A 95 17.973 43.947 32.859 1.00 0.00 ATOM 774 CE2 TYR A 95 16.727 44.792 30.988 1.00 0.00 ATOM 775 CZ TYR A 95 17.524 45.014 32.093 1.00 0.00 ATOM 776 OH TYR A 95 17.883 46.305 32.435 1.00 0.00 ATOM 777 O TYR A 95 16.819 38.026 31.815 1.00 0.00 ATOM 778 C TYR A 95 17.176 38.611 30.796 1.00 0.00 ATOM 779 N LYS A 96 17.178 38.036 29.600 1.00 0.00 ATOM 780 CA LYS A 96 16.739 36.651 29.457 1.00 0.00 ATOM 781 CB LYS A 96 15.215 36.586 29.591 1.00 0.00 ATOM 782 CG LYS A 96 14.473 37.266 28.447 1.00 0.00 ATOM 783 CD LYS A 96 12.955 37.125 28.567 1.00 0.00 ATOM 784 CE LYS A 96 12.390 37.932 29.722 1.00 0.00 ATOM 785 NZ LYS A 96 10.907 37.752 29.878 1.00 0.00 ATOM 786 O LYS A 96 18.437 35.834 28.025 1.00 0.00 ATOM 787 C LYS A 96 17.252 36.108 28.140 1.00 0.00 ATOM 788 N GLU A 97 16.217 35.777 27.155 1.00 0.00 ATOM 789 CA GLU A 97 16.606 35.236 25.856 1.00 0.00 ATOM 790 CB GLU A 97 15.529 35.491 24.809 1.00 0.00 ATOM 791 CG GLU A 97 14.279 34.628 25.056 1.00 0.00 ATOM 792 CD GLU A 97 13.123 34.898 24.117 1.00 0.00 ATOM 793 OE1 GLU A 97 12.322 34.042 23.774 1.00 0.00 ATOM 794 OE2 GLU A 97 13.092 36.116 23.634 1.00 0.00 ATOM 795 O GLU A 97 18.847 35.201 25.090 1.00 0.00 ATOM 796 C GLU A 97 17.900 35.898 25.451 1.00 0.00 ATOM 797 N VAL A 98 17.972 37.217 25.557 1.00 0.00 ATOM 798 CA VAL A 98 19.172 37.972 25.219 1.00 0.00 ATOM 799 CB VAL A 98 18.927 39.502 25.228 1.00 0.00 ATOM 800 CG1 VAL A 98 20.231 40.278 25.074 1.00 0.00 ATOM 801 CG2 VAL A 98 17.964 39.892 24.114 1.00 0.00 ATOM 802 O VAL A 98 21.460 37.389 25.662 1.00 0.00 ATOM 803 C VAL A 98 20.306 37.553 26.133 1.00 0.00 ATOM 804 N SER A 99 19.992 37.341 27.498 1.00 0.00 ATOM 805 CA SER A 99 21.037 36.941 28.471 1.00 0.00 ATOM 806 CB SER A 99 20.490 37.017 29.897 1.00 0.00 ATOM 807 OG SER A 99 21.474 36.631 30.842 1.00 0.00 ATOM 808 O SER A 99 22.736 35.254 28.391 1.00 0.00 ATOM 809 C SER A 99 21.550 35.525 28.266 1.00 0.00 ATOM 810 N LYS A 100 20.634 34.615 27.981 1.00 0.00 ATOM 811 CA LYS A 100 20.970 33.224 27.717 1.00 0.00 ATOM 812 CB LYS A 100 19.705 32.407 27.451 1.00 0.00 ATOM 813 CG LYS A 100 19.960 30.930 27.206 1.00 0.00 ATOM 814 CD LYS A 100 18.658 30.167 27.021 1.00 0.00 ATOM 815 CE LYS A 100 18.914 28.699 26.726 1.00 0.00 ATOM 816 NZ LYS A 100 17.647 27.944 26.518 1.00 0.00 ATOM 817 O LYS A 100 22.870 32.414 26.526 1.00 0.00 ATOM 818 C LYS A 100 21.881 33.111 26.492 1.00 0.00 ATOM 819 N ASP A 101 21.537 33.793 25.401 1.00 0.00 ATOM 820 CA ASP A 101 22.346 33.768 24.190 1.00 0.00 ATOM 821 CB ASP A 101 21.669 34.569 23.076 1.00 0.00 ATOM 822 CG ASP A 101 20.457 33.860 22.504 1.00 0.00 ATOM 823 OD1 ASP A 101 20.278 32.658 22.797 1.00 0.00 ATOM 824 OD2 ASP A 101 19.686 34.505 21.764 1.00 0.00 ATOM 825 O ASP A 101 24.726 33.892 23.936 1.00 0.00 ATOM 826 C ASP A 101 23.707 34.404 24.406 1.00 0.00 ATOM 827 N LEU A 102 23.722 35.496 25.160 1.00 0.00 ATOM 828 CA LEU A 102 24.982 36.186 25.452 1.00 0.00 ATOM 829 CB LEU A 102 24.804 37.340 26.318 1.00 0.00 ATOM 830 CG LEU A 102 26.061 38.134 26.654 1.00 0.00 ATOM 831 CD1 LEU A 102 26.757 38.689 25.440 1.00 0.00 ATOM 832 CD2 LEU A 102 25.641 39.233 27.628 1.00 0.00 ATOM 833 O LEU A 102 27.085 35.131 25.971 1.00 0.00 ATOM 834 C LEU A 102 25.896 35.283 26.282 1.00 0.00 ATOM 835 N ALA A 103 25.336 34.693 27.341 1.00 0.00 ATOM 836 CA ALA A 103 26.161 33.791 28.180 1.00 0.00 ATOM 837 CB ALA A 103 25.317 33.309 29.350 1.00 0.00 ATOM 838 O ALA A 103 27.799 32.156 27.596 1.00 0.00 ATOM 839 C ALA A 103 26.650 32.556 27.412 1.00 0.00 ATOM 840 N ILE A 104 25.811 31.965 26.562 1.00 0.00 ATOM 841 CA ILE A 104 26.247 30.824 25.730 1.00 0.00 ATOM 842 CB ILE A 104 25.106 30.312 24.833 1.00 0.00 ATOM 843 CG1 ILE A 104 24.013 29.660 25.682 1.00 0.00 ATOM 844 CG2 ILE A 104 25.628 29.280 23.845 1.00 0.00 ATOM 845 CD1 ILE A 104 22.739 29.368 24.919 1.00 0.00 ATOM 846 O ILE A 104 28.381 30.558 24.637 1.00 0.00 ATOM 847 C ILE A 104 27.408 31.268 24.825 1.00 0.00 ATOM 848 N LYS A 105 27.271 32.457 24.263 1.00 0.00 ATOM 849 CA LYS A 105 28.313 32.965 23.366 1.00 0.00 ATOM 850 CB LYS A 105 27.901 34.362 22.895 1.00 0.00 ATOM 851 CG LYS A 105 28.891 35.014 21.944 1.00 0.00 ATOM 852 CD LYS A 105 28.388 36.364 21.463 1.00 0.00 ATOM 853 CE LYS A 105 29.401 37.038 20.551 1.00 0.00 ATOM 854 NZ LYS A 105 28.931 38.375 20.091 1.00 0.00 ATOM 855 O LYS A 105 30.725 32.657 23.583 1.00 0.00 ATOM 856 C LYS A 105 29.662 33.081 24.101 1.00 0.00 ATOM 857 N ILE A 106 29.619 33.678 25.274 1.00 0.00 ATOM 858 CA ILE A 106 30.848 33.904 26.034 1.00 0.00 ATOM 859 CB ILE A 106 30.583 34.741 27.299 1.00 0.00 ATOM 860 CG1 ILE A 106 30.177 36.167 26.920 1.00 0.00 ATOM 861 CG2 ILE A 106 31.833 34.810 28.162 1.00 0.00 ATOM 862 CD1 ILE A 106 29.647 36.981 28.079 1.00 0.00 ATOM 863 O ILE A 106 32.700 32.405 26.300 1.00 0.00 ATOM 864 C ILE A 106 31.484 32.562 26.403 1.00 0.00 ATOM 865 N LEU A 107 30.655 31.607 26.813 1.00 0.00 ATOM 866 CA LEU A 107 31.158 30.285 27.192 1.00 0.00 ATOM 867 CB LEU A 107 30.014 29.391 27.676 1.00 0.00 ATOM 868 CG LEU A 107 30.394 27.972 28.100 1.00 0.00 ATOM 869 CD1 LEU A 107 31.358 28.003 29.277 1.00 0.00 ATOM 870 CD2 LEU A 107 29.163 27.185 28.515 1.00 0.00 ATOM 871 O LEU A 107 32.946 29.067 26.045 1.00 0.00 ATOM 872 C LEU A 107 31.828 29.645 25.963 1.00 0.00 ATOM 873 N LYS A 108 31.150 29.716 24.812 1.00 0.00 ATOM 874 CA LYS A 108 31.742 29.192 23.601 1.00 0.00 ATOM 875 CB LYS A 108 30.803 29.400 22.412 1.00 0.00 ATOM 876 CG LYS A 108 29.559 28.527 22.446 1.00 0.00 ATOM 877 CD LYS A 108 28.673 28.783 21.237 1.00 0.00 ATOM 878 CE LYS A 108 27.416 27.930 21.281 1.00 0.00 ATOM 879 NZ LYS A 108 26.522 28.194 20.121 1.00 0.00 ATOM 880 O LYS A 108 33.995 29.213 22.817 1.00 0.00 ATOM 881 C LYS A 108 33.064 29.864 23.257 1.00 0.00 ATOM 882 N ASP A 109 33.124 31.173 23.429 1.00 0.00 ATOM 883 CA ASP A 109 34.351 31.922 23.146 1.00 0.00 ATOM 884 CB ASP A 109 34.139 33.414 23.409 1.00 0.00 ATOM 885 CG ASP A 109 33.272 34.075 22.357 1.00 0.00 ATOM 886 OD1 ASP A 109 33.028 33.444 21.306 1.00 0.00 ATOM 887 OD2 ASP A 109 32.833 35.222 22.583 1.00 0.00 ATOM 888 O ASP A 109 36.583 31.276 23.548 1.00 0.00 ATOM 889 C ASP A 109 35.475 31.426 24.031 1.00 0.00 ATOM 890 N ALA A 110 35.199 31.202 25.313 1.00 0.00 ATOM 891 CA ALA A 110 36.235 30.759 26.230 1.00 0.00 ATOM 892 CB ALA A 110 35.784 30.780 27.674 1.00 0.00 ATOM 893 O ALA A 110 37.901 29.079 25.819 1.00 0.00 ATOM 894 C ALA A 110 36.706 29.370 25.808 1.00 0.00 ATOM 895 N GLU A 111 35.761 28.543 25.419 1.00 0.00 ATOM 896 CA GLU A 111 36.095 27.194 24.984 1.00 0.00 ATOM 897 CB GLU A 111 34.816 26.434 24.623 1.00 0.00 ATOM 898 CG GLU A 111 35.056 25.023 24.112 1.00 0.00 ATOM 899 CD GLU A 111 33.766 24.283 23.820 1.00 0.00 ATOM 900 OE1 GLU A 111 32.683 24.867 24.036 1.00 0.00 ATOM 901 OE2 GLU A 111 33.838 23.118 23.376 1.00 0.00 ATOM 902 O GLU A 111 37.872 26.439 23.580 1.00 0.00 ATOM 903 C GLU A 111 36.946 27.225 23.723 1.00 0.00 ATOM 904 N ILE A 112 36.621 28.125 22.800 1.00 0.00 ATOM 905 CA ILE A 112 37.401 28.300 21.582 1.00 0.00 ATOM 906 CB ILE A 112 36.811 29.412 20.670 1.00 0.00 ATOM 907 CG1 ILE A 112 35.455 28.970 20.104 1.00 0.00 ATOM 908 CG2 ILE A 112 37.769 29.756 19.536 1.00 0.00 ATOM 909 CD1 ILE A 112 35.519 27.781 19.143 1.00 0.00 ATOM 910 O ILE A 112 39.784 28.094 21.384 1.00 0.00 ATOM 911 C ILE A 112 38.833 28.687 21.898 1.00 0.00 ATOM 912 N PHE A 113 38.994 29.653 22.806 1.00 0.00 ATOM 913 CA PHE A 113 40.309 30.077 23.217 1.00 0.00 ATOM 914 CB PHE A 113 40.325 31.257 24.198 1.00 0.00 ATOM 915 CG PHE A 113 41.720 31.669 24.623 1.00 0.00 ATOM 916 CD1 PHE A 113 42.637 32.188 23.687 1.00 0.00 ATOM 917 CD2 PHE A 113 42.147 31.486 25.944 1.00 0.00 ATOM 918 CE1 PHE A 113 43.958 32.507 24.059 1.00 0.00 ATOM 919 CE2 PHE A 113 43.466 31.803 26.327 1.00 0.00 ATOM 920 CZ PHE A 113 44.377 32.317 25.374 1.00 0.00 ATOM 921 O PHE A 113 42.222 28.687 23.597 1.00 0.00 ATOM 922 C PHE A 113 41.042 28.909 23.875 1.00 0.00 ATOM 923 N VAL A 114 40.368 28.161 24.746 1.00 0.00 ATOM 924 CA VAL A 114 41.050 27.055 25.419 1.00 0.00 ATOM 925 CB VAL A 114 40.137 26.396 26.439 1.00 0.00 ATOM 926 CG1 VAL A 114 40.815 25.259 27.098 1.00 0.00 ATOM 927 CG2 VAL A 114 39.713 27.429 27.494 1.00 0.00 ATOM 928 O VAL A 114 42.684 25.563 24.476 1.00 0.00 ATOM 929 C VAL A 114 41.562 26.031 24.374 1.00 0.00 ATOM 930 N GLN A 115 40.743 25.729 23.366 1.00 0.00 ATOM 931 CA GLN A 115 41.098 24.735 22.363 1.00 0.00 ATOM 932 CB GLN A 115 39.974 24.498 21.378 1.00 0.00 ATOM 933 CG GLN A 115 38.767 23.795 21.974 1.00 0.00 ATOM 934 CD GLN A 115 39.079 22.361 22.348 1.00 0.00 ATOM 935 OE1 GLN A 115 39.355 21.532 21.483 1.00 0.00 ATOM 936 NE2 GLN A 115 39.045 22.063 23.643 1.00 0.00 ATOM 937 O GLN A 115 43.251 24.404 21.364 1.00 0.00 ATOM 938 C GLN A 115 42.335 25.201 21.605 1.00 0.00 ATOM 939 N LYS A 116 42.374 26.472 21.241 1.00 0.00 ATOM 940 CA LYS A 116 43.536 27.012 20.528 1.00 0.00 ATOM 941 CB LYS A 116 43.235 28.450 20.106 1.00 0.00 ATOM 942 CG LYS A 116 44.451 29.219 19.614 1.00 0.00 ATOM 943 CD LYS A 116 44.592 29.114 18.104 1.00 0.00 ATOM 944 CE LYS A 116 45.907 29.716 17.624 1.00 0.00 ATOM 945 NZ LYS A 116 46.577 28.860 16.604 1.00 0.00 ATOM 946 O LYS A 116 45.861 26.611 20.973 1.00 0.00 ATOM 947 C LYS A 116 44.778 26.989 21.414 1.00 0.00 ATOM 948 N ALA A 117 44.625 27.439 22.655 1.00 0.00 ATOM 949 CA ALA A 117 45.748 27.446 23.584 1.00 0.00 ATOM 950 CB ALA A 117 45.294 27.972 24.946 1.00 0.00 ATOM 951 O ALA A 117 47.497 25.809 23.748 1.00 0.00 ATOM 952 C ALA A 117 46.288 26.030 23.772 1.00 0.00 ATOM 953 N LYS A 118 45.389 25.061 23.955 1.00 0.00 ATOM 954 CA LYS A 118 45.773 23.666 24.155 1.00 0.00 ATOM 955 CB LYS A 118 44.539 22.791 24.389 1.00 0.00 ATOM 956 CG LYS A 118 44.861 21.337 24.700 1.00 0.00 ATOM 957 CD LYS A 118 43.594 20.533 24.943 1.00 0.00 ATOM 958 CE LYS A 118 43.911 19.065 25.189 1.00 0.00 ATOM 959 NZ LYS A 118 42.670 18.265 25.383 1.00 0.00 ATOM 960 O LYS A 118 47.546 22.418 23.098 1.00 0.00 ATOM 961 C LYS A 118 46.557 23.136 22.949 1.00 0.00 ATOM 962 N ASN A 119 46.092 23.476 21.754 1.00 0.00 ATOM 963 CA ASN A 119 46.765 23.042 20.537 1.00 0.00 ATOM 964 CB ASN A 119 45.977 23.495 19.304 1.00 0.00 ATOM 965 CG ASN A 119 46.623 23.041 18.004 1.00 0.00 ATOM 966 ND2 ASN A 119 46.956 23.994 17.143 1.00 0.00 ATOM 967 OD1 ASN A 119 46.818 21.846 17.780 1.00 0.00 ATOM 968 O ASN A 119 49.118 22.753 20.211 1.00 0.00 ATOM 969 C ASN A 119 48.202 23.538 20.434 1.00 0.00 ATOM 970 N ALA A 120 48.405 24.834 20.646 1.00 0.00 ATOM 971 CA ALA A 120 49.741 25.412 20.551 1.00 0.00 ATOM 972 CB ALA A 120 49.661 26.928 20.667 1.00 0.00 ATOM 973 O ALA A 120 51.836 24.581 21.363 1.00 0.00 ATOM 974 C ALA A 120 50.674 24.873 21.630 1.00 0.00 ATOM 975 N VAL A 121 50.158 24.734 22.840 1.00 0.00 ATOM 976 CA VAL A 121 50.968 24.227 23.940 1.00 0.00 ATOM 977 CB VAL A 121 50.198 24.318 25.276 1.00 0.00 ATOM 978 CG1 VAL A 121 50.947 23.578 26.367 1.00 0.00 ATOM 979 CG2 VAL A 121 50.023 25.779 25.664 1.00 0.00 ATOM 980 O VAL A 121 52.520 22.389 23.950 1.00 0.00 ATOM 981 C VAL A 121 51.378 22.778 23.688 1.00 0.00 ATOM 982 N ASN A 122 50.447 21.982 23.179 1.00 0.00 ATOM 983 CA ASN A 122 50.733 20.586 22.891 1.00 0.00 ATOM 984 CB ASN A 122 49.473 19.881 22.396 1.00 0.00 ATOM 985 CG ASN A 122 49.708 18.422 22.111 1.00 0.00 ATOM 986 ND2 ASN A 122 49.422 18.001 20.885 1.00 0.00 ATOM 987 OD1 ASN A 122 50.147 17.674 22.984 1.00 0.00 ATOM 988 O ASN A 122 52.746 19.651 21.971 1.00 0.00 ATOM 989 C ASN A 122 51.838 20.472 21.841 1.00 0.00 ATOM 990 N LYS A 123 51.738 21.247 20.771 1.00 0.00 ATOM 991 CA LYS A 123 52.746 21.220 19.715 1.00 0.00 ATOM 992 CB LYS A 123 52.330 22.081 18.534 1.00 0.00 ATOM 993 CG LYS A 123 51.181 21.505 17.729 1.00 0.00 ATOM 994 CD LYS A 123 50.775 22.443 16.598 1.00 0.00 ATOM 995 CE LYS A 123 49.593 21.885 15.818 1.00 0.00 ATOM 996 NZ LYS A 123 49.096 22.850 14.794 1.00 0.00 ATOM 997 O LYS A 123 55.159 21.100 19.893 1.00 0.00 ATOM 998 C LYS A 123 54.122 21.680 20.238 1.00 0.00 ATOM 999 N ASN A 124 54.100 22.678 21.080 1.00 0.00 ATOM 1000 CA ASN A 124 55.316 23.230 21.653 1.00 0.00 ATOM 1001 CB ASN A 124 55.099 24.549 22.390 1.00 0.00 ATOM 1002 CG ASN A 124 56.379 25.094 22.998 1.00 0.00 ATOM 1003 ND2 ASN A 124 57.271 25.596 22.153 1.00 0.00 ATOM 1004 OD1 ASN A 124 56.568 25.051 24.214 1.00 0.00 ATOM 1005 O ASN A 124 57.150 21.900 22.407 1.00 0.00 ATOM 1006 C ASN A 124 55.968 22.191 22.555 1.00 0.00 ATOM 1007 N ARG A 125 55.270 21.651 23.523 1.00 0.00 ATOM 1008 CA ARG A 125 55.848 20.675 24.452 1.00 0.00 ATOM 1009 CB ARG A 125 56.333 19.463 23.689 1.00 0.00 ATOM 1010 CG ARG A 125 55.242 18.748 22.962 1.00 0.00 ATOM 1011 CD ARG A 125 55.733 17.602 22.104 1.00 0.00 ATOM 1012 NE ARG A 125 54.636 16.913 21.516 1.00 0.00 ATOM 1013 CZ ARG A 125 53.906 15.974 22.149 1.00 0.00 ATOM 1014 NH1 ARG A 125 54.222 15.554 23.344 1.00 0.00 ATOM 1015 NH2 ARG A 125 52.863 15.523 21.557 1.00 0.00 ATOM 1016 O ARG A 125 57.409 22.380 25.061 1.00 0.00 ATOM 1017 C ARG A 125 57.185 21.152 25.018 1.00 0.00 ENDMDL EXPDTA 2hsbA MODEL 2 REMARK 44 REMARK 44 model 2 is called 2hsbA ATOM 1 N MET A 1 53.375 17.943 37.575 1.00 0.00 ATOM 2 CA MET A 1 52.949 19.034 38.446 1.00 0.00 ATOM 3 CB MET A 1 53.298 18.713 39.907 1.00 0.00 ATOM 4 CG MET A 1 52.601 17.488 40.478 1.00 0.00 ATOM 5 SD MET A 1 50.659 17.705 40.667 1.00 0.00 ATOM 6 CE MET A 1 50.652 19.066 42.089 1.00 0.00 ATOM 7 O MET A 1 53.692 21.287 38.842 1.00 0.00 ATOM 8 C MET A 1 53.607 20.358 38.038 1.00 0.00 ATOM 9 N ASP A 2 54.066 20.453 36.791 1.00 0.00 ATOM 10 CA ASP A 2 54.620 21.704 36.280 1.00 0.00 ATOM 11 CB ASP A 2 55.425 21.457 35.022 1.00 0.00 ATOM 12 CG ASP A 2 54.591 20.845 33.924 1.00 0.00 ATOM 13 OD1 ASP A 2 54.239 19.643 34.054 1.00 0.00 ATOM 14 OD2 ASP A 2 54.278 21.576 32.961 1.00 0.00 ATOM 15 O ASP A 2 52.359 22.345 35.751 1.00 0.00 ATOM 16 C ASP A 2 53.515 22.719 35.966 1.00 0.00 ATOM 17 N GLU A 3 53.905 23.992 35.906 1.00 0.00 ATOM 18 CA GLU A 3 52.968 25.101 35.754 1.00 0.00 ATOM 19 CB GLU A 3 53.707 26.443 35.821 1.00 0.00 ATOM 20 CG GLU A 3 52.785 27.660 35.716 1.00 0.00 ATOM 21 CD GLU A 3 53.493 29.003 35.885 1.00 0.00 ATOM 22 OE1 GLU A 3 54.703 29.033 36.210 1.00 0.00 ATOM 23 OE2 GLU A 3 52.821 30.041 35.678 1.00 0.00 ATOM 24 O GLU A 3 50.994 25.336 34.444 1.00 0.00 ATOM 25 C GLU A 3 52.170 25.010 34.456 1.00 0.00 ATOM 26 N LEU A 4 52.798 24.574 33.366 1.00 0.00 ATOM 27 CA LEU A 4 52.101 24.513 32.085 1.00 0.00 ATOM 28 CB LEU A 4 53.053 24.110 30.961 1.00 0.00 ATOM 29 CG LEU A 4 52.511 24.111 29.530 1.00 0.00 ATOM 30 CD1 LEU A 4 51.985 25.471 29.106 1.00 0.00 ATOM 31 CD2 LEU A 4 53.607 23.626 28.555 1.00 0.00 ATOM 32 O LEU A 4 49.799 23.885 31.772 1.00 0.00 ATOM 33 C LEU A 4 50.920 23.550 32.157 1.00 0.00 ATOM 34 N GLU A 5 51.172 22.366 32.697 1.00 0.00 ATOM 35 CA GLU A 5 50.140 21.357 32.811 1.00 0.00 ATOM 36 CB GLU A 5 50.737 20.041 33.311 1.00 0.00 ATOM 37 CG GLU A 5 49.718 18.975 33.674 1.00 0.00 ATOM 38 CD GLU A 5 48.740 18.701 32.563 1.00 0.00 ATOM 39 OE1 GLU A 5 49.148 18.794 31.387 1.00 0.00 ATOM 40 OE2 GLU A 5 47.568 18.387 32.869 1.00 0.00 ATOM 41 O GLU A 5 47.865 21.755 33.419 1.00 0.00 ATOM 42 C GLU A 5 49.038 21.843 33.745 1.00 0.00 ATOM 43 N LEU A 6 49.421 22.370 34.898 1.00 0.00 ATOM 44 CA LEU A 6 48.437 22.747 35.910 1.00 0.00 ATOM 45 CB LEU A 6 49.143 23.062 37.225 1.00 0.00 ATOM 46 CG LEU A 6 49.763 21.815 37.873 1.00 0.00 ATOM 47 CD1 LEU A 6 50.343 22.141 39.243 1.00 0.00 ATOM 48 CD2 LEU A 6 48.729 20.686 37.967 1.00 0.00 ATOM 49 O LEU A 6 46.360 23.965 35.828 1.00 0.00 ATOM 50 C LEU A 6 47.543 23.913 35.466 1.00 0.00 ATOM 51 N ARG A 7 48.120 24.848 34.713 1.00 0.00 ATOM 52 CA ARG A 7 47.358 25.949 34.107 1.00 0.00 ATOM 53 CB ARG A 7 48.283 26.870 33.320 1.00 0.00 ATOM 54 CG ARG A 7 49.257 27.646 34.145 1.00 0.00 ATOM 55 CD ARG A 7 48.715 28.972 34.470 1.00 0.00 ATOM 56 NE ARG A 7 49.661 29.787 35.205 1.00 0.00 ATOM 57 CZ ARG A 7 49.304 30.852 35.914 1.00 0.00 ATOM 58 NH1 ARG A 7 48.027 31.197 35.969 1.00 0.00 ATOM 59 NH2 ARG A 7 50.208 31.560 36.590 1.00 0.00 ATOM 60 O ARG A 7 45.170 25.929 33.131 1.00 0.00 ATOM 61 C ARG A 7 46.302 25.459 33.124 1.00 0.00 ATOM 62 N ILE A 8 46.690 24.552 32.240 1.00 0.00 ATOM 63 CA ILE A 8 45.751 24.018 31.269 1.00 0.00 ATOM 64 CB ILE A 8 46.458 23.170 30.211 1.00 0.00 ATOM 65 CG1 ILE A 8 47.299 24.053 29.277 1.00 0.00 ATOM 66 CG2 ILE A 8 45.457 22.353 29.416 1.00 0.00 ATOM 67 CD1 ILE A 8 46.503 25.095 28.477 1.00 0.00 ATOM 68 O ILE A 8 43.493 23.368 31.710 1.00 0.00 ATOM 69 C ILE A 8 44.680 23.224 31.996 1.00 0.00 ATOM 70 N ARG A 9 45.084 22.415 32.973 1.00 0.00 ATOM 71 CA ARG A 9 44.103 21.653 33.745 1.00 0.00 ATOM 72 CB ARG A 9 44.813 20.733 34.742 1.00 0.00 ATOM 73 CG ARG A 9 43.884 20.033 35.738 1.00 0.00 ATOM 74 CD ARG A 9 42.809 19.204 35.042 1.00 0.00 ATOM 75 NE ARG A 9 42.089 18.424 36.046 1.00 0.00 ATOM 76 CZ ARG A 9 41.188 17.475 35.792 1.00 0.00 ATOM 77 NH1 ARG A 9 40.853 17.167 34.552 1.00 0.00 ATOM 78 NH2 ARG A 9 40.619 16.821 36.800 1.00 0.00 ATOM 79 O ARG A 9 41.912 22.377 34.462 1.00 0.00 ATOM 80 C ARG A 9 43.123 22.597 34.465 1.00 0.00 ATOM 81 N LYS A 10 43.652 23.649 35.067 1.00 0.00 ATOM 82 CA LYS A 10 42.800 24.671 35.728 1.00 0.00 ATOM 83 CB LYS A 10 43.672 25.753 36.334 1.00 0.00 ATOM 84 CG LYS A 10 42.921 26.888 37.081 1.00 0.00 ATOM 85 CD LYS A 10 42.459 26.464 38.390 1.00 0.00 ATOM 86 CE LYS A 10 41.974 27.682 39.218 1.00 0.00 ATOM 87 NZ LYS A 10 41.974 27.378 40.652 1.00 0.00 ATOM 88 O LYS A 10 40.628 25.388 35.025 1.00 0.00 ATOM 89 C LYS A 10 41.810 25.290 34.727 1.00 0.00 ATOM 90 N ALA A 11 42.281 25.645 33.531 1.00 0.00 ATOM 91 CA ALA A 11 41.423 26.228 32.488 1.00 0.00 ATOM 92 CB ALA A 11 42.258 26.639 31.262 1.00 0.00 ATOM 93 O ALA A 11 39.110 25.679 32.049 1.00 0.00 ATOM 94 C ALA A 11 40.287 25.274 32.109 1.00 0.00 ATOM 95 N GLU A 12 40.633 23.992 31.935 1.00 0.00 ATOM 96 CA GLU A 12 39.675 22.935 31.583 1.00 0.00 ATOM 97 CB GLU A 12 40.403 21.600 31.353 1.00 0.00 ATOM 98 CG GLU A 12 41.212 21.579 30.087 1.00 0.00 ATOM 99 CD GLU A 12 42.137 20.376 30.006 1.00 0.00 ATOM 100 OE1 GLU A 12 42.721 19.980 31.036 1.00 0.00 ATOM 101 OE2 GLU A 12 42.267 19.822 28.909 1.00 0.00 ATOM 102 O GLU A 12 37.430 22.640 32.351 1.00 0.00 ATOM 103 C GLU A 12 38.618 22.740 32.658 1.00 0.00 ATOM 104 N LYS A 13 39.046 22.672 33.909 1.00 0.00 ATOM 105 CA LYS A 13 38.116 22.596 35.061 1.00 0.00 ATOM 106 CB LYS A 13 38.911 22.489 36.372 1.00 0.00 ATOM 107 CG LYS A 13 38.087 22.118 37.615 1.00 0.00 ATOM 108 CD LYS A 13 37.908 23.280 38.628 1.00 0.00 ATOM 109 CE LYS A 13 37.354 22.780 39.994 1.00 0.00 ATOM 110 NZ LYS A 13 36.016 22.079 39.869 1.00 0.00 ATOM 111 O LYS A 13 35.986 23.686 35.369 1.00 0.00 ATOM 112 C LYS A 13 37.184 23.814 35.131 1.00 0.00 ATOM 113 N LEU A 14 37.734 25.002 34.932 1.00 0.00 ATOM 114 CA LEU A 14 36.919 26.210 34.988 1.00 0.00 ATOM 115 CB LEU A 14 37.785 27.472 34.938 1.00 0.00 ATOM 116 CG LEU A 14 38.606 27.783 36.211 1.00 0.00 ATOM 117 CD1 LEU A 14 39.723 28.810 35.931 1.00 0.00 ATOM 118 CD2 LEU A 14 37.729 28.254 37.390 1.00 0.00 ATOM 119 O LEU A 14 34.726 26.608 34.125 1.00 0.00 ATOM 120 C LEU A 14 35.849 26.183 33.885 1.00 0.00 ATOM 121 N VAL A 15 36.188 25.693 32.695 1.00 0.00 ATOM 122 CA VAL A 15 35.202 25.607 31.590 1.00 0.00 ATOM 123 CB VAL A 15 35.798 25.085 30.254 1.00 0.00 ATOM 124 CG1 VAL A 15 34.689 24.824 29.236 1.00 0.00 ATOM 125 CG2 VAL A 15 36.797 26.091 29.685 1.00 0.00 ATOM 126 O VAL A 15 32.919 25.060 31.859 1.00 0.00 ATOM 127 C VAL A 15 34.060 24.704 32.025 1.00 0.00 ATOM 128 N GLN A 16 34.362 23.564 32.639 1.00 0.00 ATOM 129 CA GLN A 16 33.308 22.683 33.137 1.00 0.00 ATOM 130 CB GLN A 16 33.884 21.326 33.600 1.00 0.00 ATOM 131 CG GLN A 16 34.587 20.521 32.472 1.00 0.00 ATOM 132 CD GLN A 16 33.666 20.258 31.262 1.00 0.00 ATOM 133 OE1 GLN A 16 33.856 20.820 30.186 1.00 0.00 ATOM 134 NE2 GLN A 16 32.653 19.428 31.458 1.00 0.00 ATOM 135 O GLN A 16 31.256 23.236 34.261 1.00 0.00 ATOM 136 C GLN A 16 32.489 23.341 34.258 1.00 0.00 ATOM 137 N ASP A 17 33.156 24.018 35.195 1.00 0.00 ATOM 138 CA ASP A 17 32.446 24.750 36.248 1.00 0.00 ATOM 139 CB ASP A 17 33.423 25.479 37.204 1.00 0.00 ATOM 140 CG ASP A 17 34.137 24.543 38.191 1.00 0.00 ATOM 141 OD1 ASP A 17 33.940 23.318 38.132 1.00 0.00 ATOM 142 OD2 ASP A 17 34.900 25.066 39.048 1.00 0.00 ATOM 143 O ASP A 17 30.343 25.917 36.131 1.00 0.00 ATOM 144 C ASP A 17 31.471 25.782 35.650 1.00 0.00 ATOM 145 N ALA A 18 31.922 26.530 34.638 1.00 0.00 ATOM 146 CA ALA A 18 31.105 27.554 33.985 1.00 0.00 ATOM 147 CB ALA A 18 31.924 28.310 32.939 1.00 0.00 ATOM 148 O ALA A 18 28.802 27.518 33.358 1.00 0.00 ATOM 149 C ALA A 18 29.883 26.943 33.318 1.00 0.00 ATOM 150 N LYS A 19 30.067 25.791 32.681 1.00 0.00 ATOM 151 CA LYS A 19 28.947 25.066 32.085 1.00 0.00 ATOM 152 CB LYS A 19 29.433 23.801 31.390 1.00 0.00 ATOM 153 CG LYS A 19 30.204 24.063 30.079 1.00 0.00 ATOM 154 CD LYS A 19 30.657 22.749 29.453 1.00 0.00 ATOM 155 CE LYS A 19 31.424 22.950 28.169 1.00 0.00 ATOM 156 NZ LYS A 19 32.148 21.704 27.835 1.00 0.00 ATOM 157 O LYS A 19 26.686 24.960 32.912 1.00 0.00 ATOM 158 C LYS A 19 27.881 24.745 33.142 1.00 0.00 ATOM 159 N LYS A 20 28.319 24.289 34.309 1.00 0.00 ATOM 160 CA LYS A 20 27.399 23.975 35.408 1.00 0.00 ATOM 161 CB LYS A 20 28.131 23.218 36.520 1.00 0.00 ATOM 162 CG LYS A 20 28.580 21.814 36.117 1.00 0.00 ATOM 163 CD LYS A 20 29.388 21.179 37.251 1.00 0.00 ATOM 164 CE LYS A 20 30.141 19.909 36.827 1.00 0.00 ATOM 165 NZ LYS A 20 30.820 19.295 38.025 1.00 0.00 ATOM 166 O LYS A 20 25.532 25.138 36.369 1.00 0.00 ATOM 167 C LYS A 20 26.709 25.206 35.993 1.00 0.00 ATOM 168 N GLU A 21 27.448 26.305 36.134 1.00 0.00 ATOM 169 CA GLU A 21 26.840 27.579 36.530 1.00 0.00 ATOM 170 CB GLU A 21 27.905 28.669 36.690 1.00 0.00 ATOM 171 CG GLU A 21 28.730 28.468 37.968 1.00 0.00 ATOM 172 CD GLU A 21 29.994 29.320 38.020 1.00 0.00 ATOM 173 OE1 GLU A 21 30.579 29.661 36.959 1.00 0.00 ATOM 174 OE2 GLU A 21 30.427 29.606 39.147 1.00 0.00 ATOM 175 O GLU A 21 24.665 28.383 35.893 1.00 0.00 ATOM 176 C GLU A 21 25.774 27.984 35.513 1.00 0.00 ATOM 177 N PHE A 22 26.093 27.866 34.227 1.00 0.00 ATOM 178 CA PHE A 22 25.110 28.205 33.192 1.00 0.00 ATOM 179 CB PHE A 22 25.674 27.994 31.785 1.00 0.00 ATOM 180 CG PHE A 22 24.724 28.406 30.697 1.00 0.00 ATOM 181 CD1 PHE A 22 24.637 29.738 30.304 1.00 0.00 ATOM 182 CD2 PHE A 22 23.886 27.481 30.107 1.00 0.00 ATOM 183 CE1 PHE A 22 23.765 30.131 29.317 1.00 0.00 ATOM 184 CE2 PHE A 22 22.996 27.870 29.111 1.00 0.00 ATOM 185 CZ PHE A 22 22.940 29.192 28.716 1.00 0.00 ATOM 186 O PHE A 22 22.713 27.970 33.330 1.00 0.00 ATOM 187 C PHE A 22 23.804 27.409 33.374 1.00 0.00 ATOM 188 N GLU A 23 23.919 26.110 33.594 1.00 0.00 ATOM 189 CA GLU A 23 22.741 25.253 33.706 1.00 0.00 ATOM 190 CB GLU A 23 23.160 23.789 33.745 1.00 0.00 ATOM 191 CG GLU A 23 23.520 23.250 32.390 1.00 0.00 ATOM 192 CD GLU A 23 24.403 22.007 32.446 1.00 0.00 ATOM 193 OE1 GLU A 23 24.601 21.446 33.559 1.00 0.00 ATOM 194 OE2 GLU A 23 24.911 21.605 31.362 1.00 0.00 ATOM 195 O GLU A 23 20.672 25.454 34.891 1.00 0.00 ATOM 196 C GLU A 23 21.885 25.592 34.934 1.00 0.00 ATOM 197 N MET A 24 22.523 26.064 36.003 1.00 0.00 ATOM 198 CA MET A 24 21.822 26.485 37.224 1.00 0.00 ATOM 199 CB MET A 24 22.779 26.505 38.429 1.00 0.00 ATOM 200 CG MET A 24 22.952 25.181 39.168 1.00 0.00 ATOM 201 SD MET A 24 24.166 25.354 40.726 1.00 0.00 ATOM 202 CE MET A 24 25.795 25.647 39.733 1.00 0.00 ATOM 203 O MET A 24 20.523 28.366 37.942 1.00 0.00 ATOM 204 C MET A 24 21.207 27.880 37.059 1.00 0.00 ATOM 205 N GLY A 25 21.459 28.532 35.931 1.00 0.00 ATOM 206 CA GLY A 25 20.959 29.884 35.701 1.00 0.00 ATOM 207 O GLY A 25 21.331 32.119 36.446 1.00 0.00 ATOM 208 C GLY A 25 21.793 30.993 36.339 1.00 0.00 ATOM 209 N LEU A 26 23.020 30.681 36.747 1.00 0.00 ATOM 210 CA LEU A 26 23.918 31.671 37.350 1.00 0.00 ATOM 211 CB LEU A 26 24.828 31.008 38.388 1.00 0.00 ATOM 212 CG LEU A 26 24.154 30.210 39.513 1.00 0.00 ATOM 213 CD1 LEU A 26 25.226 29.734 40.539 1.00 0.00 ATOM 214 CD2 LEU A 26 23.093 31.055 40.181 1.00 0.00 ATOM 215 O LEU A 26 25.907 31.997 36.038 1.00 0.00 ATOM 216 C LEU A 26 24.739 32.321 36.245 1.00 0.00 ATOM 217 N TYR A 27 24.108 33.237 35.518 1.00 0.00 ATOM 218 CA TYR A 27 24.690 33.769 34.287 1.00 0.00 ATOM 219 CB TYR A 27 23.614 34.446 33.426 1.00 0.00 ATOM 220 CG TYR A 27 22.473 33.496 33.091 1.00 0.00 ATOM 221 CD1 TYR A 27 22.724 32.225 32.597 1.00 0.00 ATOM 222 CD2 TYR A 27 21.144 33.863 33.312 1.00 0.00 ATOM 223 CE1 TYR A 27 21.679 31.341 32.314 1.00 0.00 ATOM 224 CE2 TYR A 27 20.097 32.989 33.035 1.00 0.00 ATOM 225 CZ TYR A 27 20.372 31.737 32.532 1.00 0.00 ATOM 226 OH TYR A 27 19.341 30.873 32.261 1.00 0.00 ATOM 227 O TYR A 27 26.887 34.607 33.786 1.00 0.00 ATOM 228 C TYR A 27 25.892 34.682 34.524 1.00 0.00 ATOM 229 N GLU A 28 25.829 35.519 35.558 1.00 0.00 ATOM 230 CA GLU A 28 26.985 36.342 35.910 1.00 0.00 ATOM 231 CB GLU A 28 26.630 37.335 37.033 1.00 0.00 ATOM 232 CG GLU A 28 25.650 38.406 36.602 1.00 0.00 ATOM 233 CD GLU A 28 25.556 39.557 37.610 1.00 0.00 ATOM 234 OE1 GLU A 28 25.852 39.339 38.811 1.00 0.00 ATOM 235 OE2 GLU A 28 25.195 40.673 37.169 1.00 0.00 ATOM 236 O GLU A 28 29.315 35.768 36.003 1.00 0.00 ATOM 237 C GLU A 28 28.158 35.494 36.362 1.00 0.00 ATOM 238 N ARG A 29 27.882 34.480 37.175 1.00 0.00 ATOM 239 CA ARG A 29 28.958 33.634 37.719 1.00 0.00 ATOM 240 CB ARG A 29 28.453 32.632 38.773 1.00 0.00 ATOM 241 CG ARG A 29 27.739 33.142 40.041 1.00 0.00 ATOM 242 CD ARG A 29 28.074 34.558 40.475 1.00 0.00 ATOM 243 NE ARG A 29 29.485 34.734 40.579 1.00 0.00 ATOM 244 CZ ARG A 29 30.156 35.833 40.247 1.00 0.00 ATOM 245 NH1 ARG A 29 29.546 36.951 39.813 1.00 0.00 ATOM 246 NH2 ARG A 29 31.469 35.792 40.371 1.00 0.00 ATOM 247 O ARG A 29 30.837 32.751 36.507 1.00 0.00 ATOM 248 C ARG A 29 29.622 32.860 36.559 1.00 0.00 ATOM 249 N CYS A 30 28.808 32.364 35.626 1.00 0.00 ATOM 250 CA CYS A 30 29.283 31.722 34.406 1.00 0.00 ATOM 251 CB CYS A 30 28.101 31.393 33.471 1.00 0.00 ATOM 252 SG CYS A 30 28.597 30.659 31.877 1.00 0.00 ATOM 253 O CYS A 30 31.377 32.106 33.284 1.00 0.00 ATOM 254 C CYS A 30 30.291 32.587 33.649 1.00 0.00 ATOM 255 N CYS A 31 29.942 33.854 33.407 1.00 0.00 ATOM 256 CA CYS A 31 30.825 34.766 32.678 1.00 0.00 ATOM 257 CB CYS A 31 30.157 36.131 32.480 1.00 0.00 ATOM 258 SG CYS A 31 28.736 36.045 31.374 1.00 0.00 ATOM 259 O CYS A 31 33.221 34.947 32.743 1.00 0.00 ATOM 260 C CYS A 31 32.168 34.964 33.379 1.00 0.00 ATOM 261 N SER A 32 32.120 35.163 34.686 1.00 0.00 ATOM 262 CA SER A 32 33.342 35.348 35.481 1.00 0.00 ATOM 263 CB SER A 32 32.992 35.735 36.922 1.00 0.00 ATOM 264 OG SER A 32 34.114 35.511 37.763 1.00 0.00 ATOM 265 O SER A 32 35.415 34.190 35.084 1.00 0.00 ATOM 266 C SER A 32 34.224 34.097 35.404 1.00 0.00 ATOM 267 N THR A 33 33.632 32.921 35.605 1.00 0.00 ATOM 268 CA THR A 33 34.384 31.644 35.529 1.00 0.00 ATOM 269 CB THR A 33 33.472 30.492 35.936 1.00 0.00 ATOM 270 CG2 THR A 33 34.199 29.158 35.999 1.00 0.00 ATOM 271 OG1 THR A 33 32.950 30.792 37.215 1.00 0.00 ATOM 272 O THR A 33 36.158 30.887 34.044 1.00 0.00 ATOM 273 C THR A 33 34.998 31.357 34.150 1.00 0.00 ATOM 274 N ALA A 34 34.209 31.609 33.110 1.00 0.00 ATOM 275 CA ALA A 34 34.641 31.495 31.722 1.00 0.00 ATOM 276 CB ALA A 34 33.467 31.806 30.730 1.00 0.00 ATOM 277 O ALA A 34 36.740 31.996 30.723 1.00 0.00 ATOM 278 C ALA A 34 35.811 32.403 31.424 1.00 0.00 ATOM 279 N TYR A 35 35.793 33.631 31.944 1.00 0.00 ATOM 280 CA TYR A 35 36.954 34.500 31.773 1.00 0.00 ATOM 281 CB TYR A 35 36.711 35.936 32.281 1.00 0.00 ATOM 282 CG TYR A 35 38.034 36.644 32.315 1.00 0.00 ATOM 283 CD1 TYR A 35 38.711 36.930 31.131 1.00 0.00 ATOM 284 CD2 TYR A 35 38.673 36.905 33.511 1.00 0.00 ATOM 285 CE1 TYR A 35 39.954 37.490 31.147 1.00 0.00 ATOM 286 CE2 TYR A 35 39.925 37.480 33.535 1.00 0.00 ATOM 287 CZ TYR A 35 40.560 37.772 32.343 1.00 0.00 ATOM 288 OH TYR A 35 41.807 38.336 32.368 1.00 0.00 ATOM 289 O TYR A 35 39.319 33.892 31.927 1.00 0.00 ATOM 290 C TYR A 35 38.199 33.902 32.475 1.00 0.00 ATOM 291 N TYR A 36 38.024 33.421 33.695 1.00 0.00 ATOM 292 CA TYR A 36 39.139 32.788 34.390 1.00 0.00 ATOM 293 CB TYR A 36 38.760 32.460 35.838 1.00 0.00 ATOM 294 CG TYR A 36 38.922 33.726 36.611 1.00 0.00 ATOM 295 CD1 TYR A 36 40.197 34.245 36.783 1.00 0.00 ATOM 296 CD2 TYR A 36 37.856 34.485 37.022 1.00 0.00 ATOM 297 CE1 TYR A 36 40.409 35.418 37.398 1.00 0.00 ATOM 298 CE2 TYR A 36 38.070 35.704 37.668 1.00 0.00 ATOM 299 CZ TYR A 36 39.363 36.154 37.832 1.00 0.00 ATOM 300 OH TYR A 36 39.692 37.336 38.450 1.00 0.00 ATOM 301 O TYR A 36 40.970 31.436 33.601 1.00 0.00 ATOM 302 C TYR A 36 39.746 31.606 33.628 1.00 0.00 ATOM 303 N ALA A 37 38.904 30.817 32.987 1.00 0.00 ATOM 304 CA ALA A 37 39.394 29.701 32.198 1.00 0.00 ATOM 305 CB ALA A 37 38.218 28.913 31.587 1.00 0.00 ATOM 306 O ALA A 37 41.421 29.755 30.899 1.00 0.00 ATOM 307 C ALA A 37 40.311 30.242 31.108 1.00 0.00 ATOM 308 N MET A 38 39.852 31.278 30.436 1.00 0.00 ATOM 309 CA MET A 38 40.633 31.886 29.365 1.00 0.00 ATOM 310 CB MET A 38 39.769 32.905 28.629 1.00 0.00 ATOM 311 CG MET A 38 38.604 32.224 27.917 1.00 0.00 ATOM 312 SD MET A 38 37.321 33.523 27.201 1.00 0.00 ATOM 313 CE MET A 38 38.200 33.890 25.987 1.00 0.00 ATOM 314 O MET A 38 42.957 32.488 29.166 1.00 0.00 ATOM 315 C MET A 38 41.925 32.542 29.845 1.00 0.00 ATOM 316 N PHE A 39 41.854 33.197 30.989 1.00 0.00 ATOM 317 CA PHE A 39 43.034 33.743 31.668 1.00 0.00 ATOM 318 CB PHE A 39 42.624 34.343 33.035 1.00 0.00 ATOM 319 CG PHE A 39 43.801 34.838 33.859 1.00 0.00 ATOM 320 CD1 PHE A 39 44.369 36.076 33.607 1.00 0.00 ATOM 321 CD2 PHE A 39 44.361 34.041 34.828 1.00 0.00 ATOM 322 CE1 PHE A 39 45.459 36.523 34.345 1.00 0.00 ATOM 323 CE2 PHE A 39 45.458 34.477 35.574 1.00 0.00 ATOM 324 CZ PHE A 39 46.004 35.721 35.327 1.00 0.00 ATOM 325 O PHE A 39 45.290 32.900 31.494 1.00 0.00 ATOM 326 C PHE A 39 44.122 32.700 31.881 1.00 0.00 ATOM 327 N HIS A 40 43.762 31.582 32.498 1.00 0.00 ATOM 328 CA HIS A 40 44.761 30.533 32.721 1.00 0.00 ATOM 329 CB HIS A 40 44.211 29.442 33.623 1.00 0.00 ATOM 330 CG HIS A 40 44.106 29.871 35.050 1.00 0.00 ATOM 331 CD2 HIS A 40 43.062 30.350 35.772 1.00 0.00 ATOM 332 ND1 HIS A 40 45.189 29.861 35.897 1.00 0.00 ATOM 333 CE1 HIS A 40 44.817 30.311 37.084 1.00 0.00 ATOM 334 NE2 HIS A 40 43.535 30.630 37.031 1.00 0.00 ATOM 335 O HIS A 40 46.472 29.621 31.302 1.00 0.00 ATOM 336 C HIS A 40 45.287 29.960 31.405 1.00 0.00 ATOM 337 N ALA A 41 44.411 29.832 30.408 1.00 0.00 ATOM 338 CA ALA A 41 44.828 29.342 29.100 1.00 0.00 ATOM 339 CB ALA A 41 43.587 29.118 28.171 1.00 0.00 ATOM 340 O ALA A 41 46.863 29.899 27.903 1.00 0.00 ATOM 341 C ALA A 41 45.828 30.320 28.458 1.00 0.00 ATOM 342 N ALA A 42 45.537 31.619 28.557 1.00 0.00 ATOM 343 CA ALA A 42 46.444 32.673 28.074 1.00 0.00 ATOM 344 CB ALA A 42 45.805 34.068 28.256 1.00 0.00 ATOM 345 O ALA A 42 48.842 32.622 28.117 1.00 0.00 ATOM 346 C ALA A 42 47.807 32.616 28.778 1.00 0.00 ATOM 347 N LYS A 43 47.798 32.531 30.108 1.00 0.00 ATOM 348 CA LYS A 43 49.024 32.398 30.893 1.00 0.00 ATOM 349 CB LYS A 43 48.737 32.377 32.394 1.00 0.00 ATOM 350 CG LYS A 43 48.110 33.672 32.942 1.00 0.00 ATOM 351 CD LYS A 43 49.108 34.822 33.063 1.00 0.00 ATOM 352 CE LYS A 43 50.055 34.580 34.231 1.00 0.00 ATOM 353 NZ LYS A 43 50.901 35.758 34.544 1.00 0.00 ATOM 354 O LYS A 43 51.060 31.204 30.436 1.00 0.00 ATOM 355 C LYS A 43 49.822 31.157 30.488 1.00 0.00 ATOM 356 N ALA A 44 49.124 30.062 30.165 1.00 0.00 ATOM 357 CA ALA A 44 49.797 28.843 29.708 1.00 0.00 ATOM 358 CB ALA A 44 48.796 27.697 29.571 1.00 0.00 ATOM 359 O ALA A 44 51.664 28.687 28.200 1.00 0.00 ATOM 360 C ALA A 44 50.510 29.095 28.379 1.00 0.00 ATOM 361 N MET A 45 49.828 29.770 27.453 1.00 0.00 ATOM 362 CA MET A 45 50.417 30.072 26.148 1.00 0.00 ATOM 363 CB MET A 45 49.407 30.707 25.204 1.00 0.00 ATOM 364 CG MET A 45 48.472 29.718 24.563 1.00 0.00 ATOM 365 SD MET A 45 47.282 30.500 23.283 1.00 0.00 ATOM 366 CE MET A 45 46.052 31.382 24.531 1.00 0.00 ATOM 367 O MET A 45 52.625 30.800 25.572 1.00 0.00 ATOM 368 C MET A 45 51.624 30.991 26.273 1.00 0.00 ATOM 369 N LEU A 46 51.533 31.991 27.145 1.00 0.00 ATOM 370 CA LEU A 46 52.650 32.918 27.369 1.00 0.00 ATOM 371 CB LEU A 46 52.203 34.129 28.205 1.00 0.00 ATOM 372 CG LEU A 46 51.191 35.093 27.569 1.00 0.00 ATOM 373 CD1 LEU A 46 50.879 36.239 28.536 1.00 0.00 ATOM 374 CD2 LEU A 46 51.668 35.640 26.246 1.00 0.00 ATOM 375 O LEU A 46 54.993 32.440 27.631 1.00 0.00 ATOM 376 C LEU A 46 53.844 32.213 28.018 1.00 0.00 ATOM 377 N LEU A 47 53.569 31.334 28.974 1.00 0.00 ATOM 378 CA LEU A 47 54.604 30.542 29.634 1.00 0.00 ATOM 379 CB LEU A 47 53.961 29.629 30.679 1.00 0.00 ATOM 380 CG LEU A 47 54.803 28.592 31.419 1.00 0.00 ATOM 381 CD1 LEU A 47 55.975 29.243 32.136 1.00 0.00 ATOM 382 CD2 LEU A 47 53.905 27.867 32.413 1.00 0.00 ATOM 383 O LEU A 47 56.583 29.779 28.511 1.00 0.00 ATOM 384 C LEU A 47 55.356 29.702 28.612 1.00 0.00 ATOM 385 N GLY A 48 54.595 28.923 27.840 1.00 0.00 ATOM 386 CA GLY A 48 55.138 28.005 26.840 1.00 0.00 ATOM 387 O GLY A 48 56.865 28.088 25.192 1.00 0.00 ATOM 388 C GLY A 48 55.967 28.700 25.782 1.00 0.00 ATOM 389 N TYR A 49 55.662 29.976 25.537 1.00 0.00 ATOM 390 CA TYR A 49 56.399 30.791 24.575 1.00 0.00 ATOM 391 CB TYR A 49 55.429 31.386 23.548 1.00 0.00 ATOM 392 CG TYR A 49 54.808 30.353 22.619 1.00 0.00 ATOM 393 CD1 TYR A 49 53.863 29.439 23.092 1.00 0.00 ATOM 394 CD2 TYR A 49 55.154 30.301 21.263 1.00 0.00 ATOM 395 CE1 TYR A 49 53.278 28.502 22.252 1.00 0.00 ATOM 396 CE2 TYR A 49 54.574 29.358 20.404 1.00 0.00 ATOM 397 CZ TYR A 49 53.636 28.460 20.909 1.00 0.00 ATOM 398 OH TYR A 49 53.050 27.520 20.087 1.00 0.00 ATOM 399 O TYR A 49 57.298 33.015 24.799 1.00 0.00 ATOM 400 C TYR A 49 57.214 31.885 25.277 1.00 0.00 ATOM 401 N GLY A 50 57.795 31.542 26.427 1.00 0.00 ATOM 402 CA GLY A 50 58.780 32.392 27.104 1.00 0.00 ATOM 403 O GLY A 50 59.290 34.645 27.702 1.00 0.00 ATOM 404 C GLY A 50 58.410 33.831 27.436 1.00 0.00 ATOM 405 N ARG A 51 57.116 34.146 27.438 1.00 0.00 ATOM 406 CA ARG A 51 56.625 35.470 27.835 1.00 0.00 ATOM 407 CB ARG A 51 55.582 35.964 26.832 1.00 0.00 ATOM 408 CG ARG A 51 56.104 36.179 25.412 1.00 0.00 ATOM 409 CD ARG A 51 56.859 37.496 25.283 1.00 0.00 ATOM 410 NE ARG A 51 56.840 38.019 23.913 1.00 0.00 ATOM 411 CZ ARG A 51 57.142 39.275 23.572 1.00 0.00 ATOM 412 NH1 ARG A 51 57.495 40.172 24.494 1.00 0.00 ATOM 413 NH2 ARG A 51 57.085 39.644 22.295 1.00 0.00 ATOM 414 O ARG A 51 55.692 34.294 29.707 1.00 0.00 ATOM 415 C ARG A 51 56.003 35.383 29.231 1.00 0.00 ATOM 416 N ASP A 52 55.825 36.524 29.889 1.00 0.00 ATOM 417 CA ASP A 52 55.155 36.561 31.193 1.00 0.00 ATOM 418 CB ASP A 52 56.153 36.317 32.338 1.00 0.00 ATOM 419 CG ASP A 52 55.463 36.119 33.699 1.00 0.00 ATOM 420 OD1 ASP A 52 54.529 35.290 33.795 1.00 0.00 ATOM 421 OD2 ASP A 52 55.849 36.800 34.672 1.00 0.00 ATOM 422 O ASP A 52 54.751 38.897 30.780 1.00 0.00 ATOM 423 C ASP A 52 54.416 37.887 31.398 1.00 0.00 ATOM 424 N SER A 53 53.410 37.854 32.272 1.00 0.00 ATOM 425 CA SER A 53 52.562 39.000 32.577 1.00 0.00 ATOM 426 CB SER A 53 51.257 38.874 31.793 1.00 0.00 ATOM 427 OG SER A 53 50.556 37.702 32.190 1.00 0.00 ATOM 428 O SER A 53 52.414 38.011 34.752 1.00 0.00 ATOM 429 C SER A 53 52.251 39.024 34.071 1.00 0.00 ATOM 430 N LYS A 54 51.808 40.176 34.576 1.00 0.00 ATOM 431 CA LYS A 54 51.398 40.314 35.982 1.00 0.00 ATOM 432 CB LYS A 54 52.500 41.025 36.790 1.00 0.00 ATOM 433 CG LYS A 54 53.925 40.699 36.286 1.00 0.00 ATOM 434 CD LYS A 54 55.040 41.401 37.056 1.00 0.00 ATOM 435 CE LYS A 54 56.395 41.214 36.348 1.00 0.00 ATOM 436 NZ LYS A 54 57.546 41.570 37.224 1.00 0.00 ATOM 437 O LYS A 54 49.613 41.307 37.265 1.00 0.00 ATOM 438 C LYS A 54 50.042 41.033 36.143 1.00 0.00 ATOM 439 N THR A 55 49.357 41.312 35.032 1.00 0.00 ATOM 440 CA THR A 55 48.059 41.984 35.060 1.00 0.00 ATOM 441 CB THR A 55 48.210 43.507 34.817 1.00 0.00 ATOM 442 CG2 THR A 55 49.143 44.167 35.842 1.00 0.00 ATOM 443 OG1 THR A 55 48.716 43.747 33.499 1.00 0.00 ATOM 444 O THR A 55 47.618 40.847 32.985 1.00 0.00 ATOM 445 C THR A 55 47.142 41.402 33.987 1.00 0.00 ATOM 446 N HIS A 56 45.831 41.530 34.177 1.00 0.00 ATOM 447 CA HIS A 56 44.867 41.116 33.150 1.00 0.00 ATOM 448 CB HIS A 56 43.441 41.410 33.599 1.00 0.00 ATOM 449 CG HIS A 56 43.000 40.601 34.776 1.00 0.00 ATOM 450 CD2 HIS A 56 42.787 40.952 36.069 1.00 0.00 ATOM 451 ND1 HIS A 56 42.705 39.258 34.685 1.00 0.00 ATOM 452 CE1 HIS A 56 42.353 38.810 35.880 1.00 0.00 ATOM 453 NE2 HIS A 56 42.389 39.817 36.736 1.00 0.00 ATOM 454 O HIS A 56 45.162 41.256 30.767 1.00 0.00 ATOM 455 C HIS A 56 45.114 41.854 31.838 1.00 0.00 ATOM 456 N ARG A 57 45.228 43.175 31.926 1.00 0.00 ATOM 457 CA ARG A 57 45.422 43.964 30.725 1.00 0.00 ATOM 458 CB ARG A 57 45.270 45.464 30.996 1.00 0.00 ATOM 459 CG ARG A 57 43.845 45.845 31.353 1.00 0.00 ATOM 460 CD ARG A 57 43.687 47.314 31.683 1.00 0.00 ATOM 461 NE ARG A 57 44.092 48.129 30.536 1.00 0.00 ATOM 462 CZ ARG A 57 45.247 48.779 30.427 1.00 0.00 ATOM 463 NH1 ARG A 57 46.143 48.770 31.410 1.00 0.00 ATOM 464 NH2 ARG A 57 45.496 49.460 29.320 1.00 0.00 ATOM 465 O ARG A 57 46.824 43.389 28.903 1.00 0.00 ATOM 466 C ARG A 57 46.759 43.605 30.097 1.00 0.00 ATOM 467 N GLY A 58 47.816 43.491 30.897 1.00 0.00 ATOM 468 CA GLY A 58 49.115 43.064 30.356 1.00 0.00 ATOM 469 O GLY A 58 49.576 41.587 28.515 1.00 0.00 ATOM 470 C GLY A 58 49.049 41.731 29.620 1.00 0.00 ATOM 471 N THR A 59 48.384 40.752 30.231 1.00 0.00 ATOM 472 CA THR A 59 48.198 39.444 29.610 1.00 0.00 ATOM 473 CB THR A 59 47.450 38.497 30.560 1.00 0.00 ATOM 474 CG2 THR A 59 47.350 37.110 29.967 1.00 0.00 ATOM 475 OG1 THR A 59 48.144 38.443 31.818 1.00 0.00 ATOM 476 O THR A 59 47.890 38.963 27.271 1.00 0.00 ATOM 477 C THR A 59 47.462 39.545 28.283 1.00 0.00 ATOM 478 N ILE A 60 46.366 40.296 28.270 1.00 0.00 ATOM 479 CA ILE A 60 45.561 40.452 27.056 1.00 0.00 ATOM 480 CB ILE A 60 44.255 41.261 27.344 1.00 0.00 ATOM 481 CG1 ILE A 60 43.340 40.478 28.318 1.00 0.00 ATOM 482 CG2 ILE A 60 43.516 41.556 26.033 1.00 0.00 ATOM 483 CD1 ILE A 60 42.399 41.343 29.204 1.00 0.00 ATOM 484 O ILE A 60 46.331 40.641 24.746 1.00 0.00 ATOM 485 C ILE A 60 46.380 41.087 25.909 1.00 0.00 ATOM 486 N TYR A 61 47.154 42.118 26.223 1.00 0.00 ATOM 487 CA TYR A 61 47.933 42.774 25.163 1.00 0.00 ATOM 488 CB TYR A 61 48.397 44.170 25.596 1.00 0.00 ATOM 489 CG TYR A 61 47.308 45.231 25.462 1.00 0.00 ATOM 490 CD1 TYR A 61 46.966 45.742 24.225 1.00 0.00 ATOM 491 CD2 TYR A 61 46.605 45.671 26.568 1.00 0.00 ATOM 492 CE1 TYR A 61 45.974 46.702 24.096 1.00 0.00 ATOM 493 CE2 TYR A 61 45.618 46.629 26.462 1.00 0.00 ATOM 494 CZ TYR A 61 45.303 47.134 25.206 1.00 0.00 ATOM 495 OH TYR A 61 44.325 48.087 25.080 1.00 0.00 ATOM 496 O TYR A 61 49.376 41.928 23.446 1.00 0.00 ATOM 497 C TYR A 61 49.086 41.900 24.635 1.00 0.00 ATOM 498 N LEU A 62 49.715 41.111 25.503 1.00 0.00 ATOM 499 CA LEU A 62 50.755 40.156 25.079 1.00 0.00 ATOM 500 CB LEU A 62 51.439 39.513 26.291 1.00 0.00 ATOM 501 CG LEU A 62 52.565 40.314 26.934 1.00 0.00 ATOM 502 CD1 LEU A 62 52.853 39.794 28.357 1.00 0.00 ATOM 503 CD2 LEU A 62 53.809 40.275 26.056 1.00 0.00 ATOM 504 O LEU A 62 50.825 38.695 23.168 1.00 0.00 ATOM 505 C LEU A 62 50.200 39.068 24.172 1.00 0.00 ATOM 506 N ILE A 63 49.021 38.556 24.510 1.00 0.00 ATOM 507 CA ILE A 63 48.334 37.619 23.628 1.00 0.00 ATOM 508 CB ILE A 63 47.005 37.110 24.236 1.00 0.00 ATOM 509 CG1 ILE A 63 47.299 36.148 25.394 1.00 0.00 ATOM 510 CG2 ILE A 63 46.152 36.412 23.152 1.00 0.00 ATOM 511 CD1 ILE A 63 48.057 34.855 24.987 1.00 0.00 ATOM 512 O ILE A 63 48.363 37.637 21.211 1.00 0.00 ATOM 513 C ILE A 63 48.088 38.251 22.248 1.00 0.00 ATOM 514 N TRP A 64 47.580 39.481 22.236 1.00 0.00 ATOM 515 CA TRP A 64 47.431 40.217 20.983 1.00 0.00 ATOM 516 CB TRP A 64 46.908 41.632 21.235 1.00 0.00 ATOM 517 CG TRP A 64 45.419 41.721 21.264 1.00 0.00 ATOM 518 CD1 TRP A 64 44.610 41.817 22.370 1.00 0.00 ATOM 519 CD2 TRP A 64 44.547 41.723 20.130 1.00 0.00 ATOM 520 CE2 TRP A 64 43.224 41.828 20.619 1.00 0.00 ATOM 521 CE3 TRP A 64 44.754 41.650 18.749 1.00 0.00 ATOM 522 NE1 TRP A 64 43.293 41.892 21.987 1.00 0.00 ATOM 523 CZ2 TRP A 64 42.115 41.861 19.771 1.00 0.00 ATOM 524 CZ3 TRP A 64 43.650 41.665 17.906 1.00 0.00 ATOM 525 CH2 TRP A 64 42.348 41.778 18.421 1.00 0.00 ATOM 526 O TRP A 64 48.834 39.868 19.066 1.00 0.00 ATOM 527 C TRP A 64 48.760 40.275 20.220 1.00 0.00 ATOM 528 N GLU A 65 49.803 40.753 20.894 1.00 0.00 ATOM 529 CA GLU A 65 51.122 40.920 20.280 1.00 0.00 ATOM 530 CB GLU A 65 52.122 41.510 21.296 1.00 0.00 ATOM 531 CG GLU A 65 51.861 42.986 21.622 1.00 0.00 ATOM 532 CD GLU A 65 52.733 43.519 22.769 1.00 0.00 ATOM 533 OE1 GLU A 65 53.948 43.196 22.796 1.00 0.00 ATOM 534 OE2 GLU A 65 52.212 44.277 23.619 1.00 0.00 ATOM 535 O GLU A 65 52.215 39.624 18.594 1.00 0.00 ATOM 536 C GLU A 65 51.665 39.622 19.700 1.00 0.00 ATOM 537 N CYS A 66 51.495 38.521 20.433 1.00 0.00 ATOM 538 CA CYS A 66 51.988 37.217 19.995 1.00 0.00 ATOM 539 CB CYS A 66 52.458 36.421 21.203 1.00 0.00 ATOM 540 SG CYS A 66 53.591 37.289 22.270 1.00 0.00 ATOM 541 O CYS A 66 51.254 35.147 19.034 1.00 0.00 ATOM 542 C CYS A 66 51.008 36.350 19.201 1.00 0.00 ATOM 543 N ARG A 67 49.928 36.916 18.675 1.00 0.00 ATOM 544 CA ARG A 67 48.859 36.069 18.121 1.00 0.00 ATOM 545 CB ARG A 67 47.630 36.906 17.742 1.00 0.00 ATOM 546 CG ARG A 67 47.808 37.921 16.631 1.00 0.00 ATOM 547 CD ARG A 67 46.545 38.763 16.525 1.00 0.00 ATOM 548 NE ARG A 67 46.599 39.787 15.482 1.00 0.00 ATOM 549 CZ ARG A 67 47.246 40.949 15.585 1.00 0.00 ATOM 550 NH1 ARG A 67 47.961 41.253 16.656 1.00 0.00 ATOM 551 NH2 ARG A 67 47.212 41.805 14.577 1.00 0.00 ATOM 552 O ARG A 67 48.900 33.983 16.877 1.00 0.00 ATOM 553 C ARG A 67 49.297 35.164 16.968 1.00 0.00 ATOM 554 N GLU A 68 50.125 35.715 16.086 1.00 0.00 ATOM 555 CA GLU A 68 50.542 34.993 14.894 1.00 0.00 ATOM 556 CB GLU A 68 51.438 35.871 14.029 1.00 0.00 ATOM 557 CG GLU A 68 50.802 37.208 13.623 1.00 0.00 ATOM 558 CD GLU A 68 50.047 37.137 12.305 1.00 0.00 ATOM 559 OE1 GLU A 68 50.690 36.865 11.264 1.00 0.00 ATOM 560 OE2 GLU A 68 48.815 37.369 12.311 1.00 0.00 ATOM 561 O GLU A 68 50.929 32.642 14.879 1.00 0.00 ATOM 562 C GLU A 68 51.275 33.726 15.313 1.00 0.00 ATOM 563 N GLU A 69 52.260 33.882 16.190 1.00 0.00 ATOM 564 CA GLU A 69 53.040 32.763 16.702 1.00 0.00 ATOM 565 CB GLU A 69 54.111 33.263 17.671 1.00 0.00 ATOM 566 CG GLU A 69 55.032 34.357 17.119 1.00 0.00 ATOM 567 CD GLU A 69 54.567 35.768 17.480 1.00 0.00 ATOM 568 OE1 GLU A 69 53.600 36.248 16.843 1.00 0.00 ATOM 569 OE2 GLU A 69 55.158 36.383 18.404 1.00 0.00 ATOM 570 O GLU A 69 52.490 30.551 17.439 1.00 0.00 ATOM 571 C GLU A 69 52.183 31.742 17.439 1.00 0.00 ATOM 572 N LEU A 70 51.126 32.216 18.102 1.00 0.00 ATOM 573 CA LEU A 70 50.268 31.356 18.914 1.00 0.00 ATOM 574 CB LEU A 70 49.641 32.189 20.048 1.00 0.00 ATOM 575 CG LEU A 70 50.631 32.624 21.127 1.00 0.00 ATOM 576 CD1 LEU A 70 49.969 33.547 22.147 1.00 0.00 ATOM 577 CD2 LEU A 70 51.209 31.405 21.805 1.00 0.00 ATOM 578 O LEU A 70 48.508 29.741 18.625 1.00 0.00 ATOM 579 C LEU A 70 49.173 30.653 18.115 1.00 0.00 ATOM 580 N GLY A 71 48.977 31.068 16.865 1.00 0.00 ATOM 581 CA GLY A 71 47.930 30.498 16.033 1.00 0.00 ATOM 582 O GLY A 71 45.555 30.334 16.060 1.00 0.00 ATOM 583 C GLY A 71 46.543 31.007 16.355 1.00 0.00 ATOM 584 N LEU A 72 46.469 32.201 16.953 1.00 0.00 ATOM 585 CA LEU A 72 45.206 32.824 17.319 1.00 0.00 ATOM 586 CB LEU A 72 45.344 33.566 18.656 1.00 0.00 ATOM 587 CG LEU A 72 45.753 32.704 19.849 1.00 0.00 ATOM 588 CD1 LEU A 72 46.026 33.581 21.074 1.00 0.00 ATOM 589 CD2 LEU A 72 44.677 31.649 20.123 1.00 0.00 ATOM 590 O LEU A 72 45.617 34.628 15.832 1.00 0.00 ATOM 591 C LEU A 72 44.799 33.830 16.269 1.00 0.00 ATOM 592 N SER A 73 43.526 33.818 15.890 1.00 0.00 ATOM 593 CA SER A 73 42.988 34.855 15.032 1.00 0.00 ATOM 594 CB SER A 73 41.673 34.387 14.422 1.00 0.00 ATOM 595 OG SER A 73 40.664 34.267 15.424 1.00 0.00 ATOM 596 O SER A 73 42.681 36.119 17.057 1.00 0.00 ATOM 597 C SER A 73 42.735 36.121 15.817 1.00 0.00 ATOM 598 N ASP A 74 42.526 37.209 15.092 1.00 0.00 ATOM 599 CA ASP A 74 42.106 38.437 15.726 1.00 0.00 ATOM 600 CB ASP A 74 41.875 39.546 14.703 1.00 0.00 ATOM 601 CG ASP A 74 43.163 40.016 14.032 1.00 0.00 ATOM 602 OD1 ASP A 74 44.232 39.393 14.222 1.00 0.00 ATOM 603 OD2 ASP A 74 43.090 41.031 13.306 1.00 0.00 ATOM 604 O ASP A 74 40.716 38.729 17.635 1.00 0.00 ATOM 605 C ASP A 74 40.828 38.206 16.539 1.00 0.00 ATOM 606 N ASP A 75 39.878 37.426 16.015 1.00 0.00 ATOM 607 CA ASP A 75 38.646 37.162 16.764 1.00 0.00 ATOM 608 CB ASP A 75 37.611 36.336 15.986 1.00 0.00 ATOM 609 CG ASP A 75 36.249 36.258 16.731 1.00 0.00 ATOM 610 OD1 ASP A 75 36.024 35.338 17.554 1.00 0.00 ATOM 611 OD2 ASP A 75 35.412 37.163 16.542 1.00 0.00 ATOM 612 O ASP A 75 38.407 36.802 19.099 1.00 0.00 ATOM 613 C ASP A 75 38.961 36.446 18.074 1.00 0.00 ATOM 614 N ASP A 76 39.839 35.444 18.029 1.00 0.00 ATOM 615 CA ASP A 76 40.261 34.756 19.245 1.00 0.00 ATOM 616 CB ASP A 76 41.327 33.704 18.961 1.00 0.00 ATOM 617 CG ASP A 76 40.823 32.560 18.108 1.00 0.00 ATOM 618 OD1 ASP A 76 39.628 32.180 18.181 1.00 0.00 ATOM 619 OD2 ASP A 76 41.658 32.023 17.364 1.00 0.00 ATOM 620 O ASP A 76 40.503 35.610 21.475 1.00 0.00 ATOM 621 C ASP A 76 40.793 35.741 20.279 1.00 0.00 ATOM 622 N CYS A 77 41.565 36.737 19.833 1.00 0.00 ATOM 623 CA CYS A 77 42.113 37.709 20.780 1.00 0.00 ATOM 624 CB CYS A 77 43.249 38.535 20.169 1.00 0.00 ATOM 625 SG CYS A 77 44.638 37.523 19.689 1.00 0.00 ATOM 626 O CYS A 77 41.012 38.984 22.481 1.00 0.00 ATOM 627 C CYS A 77 41.006 38.611 21.306 1.00 0.00 ATOM 628 N SER A 78 40.050 38.948 20.447 1.00 0.00 ATOM 629 CA SER A 78 38.880 39.700 20.881 1.00 0.00 ATOM 630 CB SER A 78 38.085 40.165 19.667 1.00 0.00 ATOM 631 OG SER A 78 38.867 41.083 18.926 1.00 0.00 ATOM 632 O SER A 78 37.338 39.543 22.713 1.00 0.00 ATOM 633 C SER A 78 37.975 38.928 21.850 1.00 0.00 ATOM 634 N LYS A 79 37.916 37.599 21.707 1.00 0.00 ATOM 635 CA LYS A 79 37.197 36.748 22.669 1.00 0.00 ATOM 636 CB LYS A 79 37.403 35.260 22.362 1.00 0.00 ATOM 637 CG LYS A 79 36.720 34.708 21.099 1.00 0.00 ATOM 638 CD LYS A 79 36.923 33.171 21.028 1.00 0.00 ATOM 639 CE LYS A 79 36.372 32.539 19.744 1.00 0.00 ATOM 640 NZ LYS A 79 37.029 33.044 18.490 1.00 0.00 ATOM 641 O LYS A 79 36.895 37.245 25.019 1.00 0.00 ATOM 642 C LYS A 79 37.697 37.051 24.101 1.00 0.00 ATOM 643 N LEU A 80 39.022 37.108 24.270 1.00 0.00 ATOM 644 CA LEU A 80 39.635 37.341 25.595 1.00 0.00 ATOM 645 CB LEU A 80 41.137 37.106 25.537 1.00 0.00 ATOM 646 CG LEU A 80 41.973 37.151 26.818 1.00 0.00 ATOM 647 CD1 LEU A 80 41.537 36.090 27.818 1.00 0.00 ATOM 648 CD2 LEU A 80 43.458 37.004 26.454 1.00 0.00 ATOM 649 O LEU A 80 39.014 38.892 27.297 1.00 0.00 ATOM 650 C LEU A 80 39.344 38.737 26.119 1.00 0.00 ATOM 651 N SER A 81 39.459 39.749 25.254 1.00 0.00 ATOM 652 CA SER A 81 39.226 41.147 25.661 1.00 0.00 ATOM 653 CB SER A 81 39.475 42.123 24.501 1.00 0.00 ATOM 654 OG SER A 81 40.804 42.018 24.007 1.00 0.00 ATOM 655 O SER A 81 37.515 41.785 27.206 1.00 0.00 ATOM 656 C SER A 81 37.790 41.278 26.112 1.00 0.00 ATOM 657 N ARG A 82 36.872 40.753 25.301 1.00 0.00 ATOM 658 CA ARG A 82 35.456 40.881 25.611 1.00 0.00 ATOM 659 CB ARG A 82 34.559 40.432 24.478 1.00 0.00 ATOM 660 CG ARG A 82 33.083 40.438 24.906 1.00 0.00 ATOM 661 CD ARG A 82 32.127 40.150 23.786 1.00 0.00 ATOM 662 NE ARG A 82 32.183 38.747 23.371 1.00 0.00 ATOM 663 CZ ARG A 82 31.313 38.181 22.538 1.00 0.00 ATOM 664 NH1 ARG A 82 30.317 38.888 22.020 1.00 0.00 ATOM 665 NH2 ARG A 82 31.440 36.898 22.222 1.00 0.00 ATOM 666 O ARG A 82 34.270 40.612 27.634 1.00 0.00 ATOM 667 C ARG A 82 35.064 40.111 26.859 1.00 0.00 ATOM 668 N ALA A 83 35.582 38.892 27.021 1.00 0.00 ATOM 669 CA ALA A 83 35.314 38.100 28.228 1.00 0.00 ATOM 670 CB ALA A 83 35.942 36.704 28.122 1.00 0.00 ATOM 671 O ALA A 83 35.158 38.797 30.509 1.00 0.00 ATOM 672 C ALA A 83 35.809 38.832 29.479 1.00 0.00 ATOM 673 N PHE A 84 36.953 39.505 29.391 1.00 0.00 ATOM 674 CA PHE A 84 37.440 40.295 30.520 1.00 0.00 ATOM 675 CB PHE A 84 38.833 40.843 30.280 1.00 0.00 ATOM 676 CG PHE A 84 39.328 41.720 31.409 1.00 0.00 ATOM 677 CD1 PHE A 84 39.511 41.192 32.677 1.00 0.00 ATOM 678 CD2 PHE A 84 39.553 43.082 31.209 1.00 0.00 ATOM 679 CE1 PHE A 84 39.950 42.008 33.739 1.00 0.00 ATOM 680 CE2 PHE A 84 39.995 43.904 32.267 1.00 0.00 ATOM 681 CZ PHE A 84 40.198 43.360 33.514 1.00 0.00 ATOM 682 O PHE A 84 36.143 41.629 32.028 1.00 0.00 ATOM 683 C PHE A 84 36.492 41.433 30.862 1.00 0.00 ATOM 684 N ASP A 85 36.074 42.179 29.849 1.00 0.00 ATOM 685 CA ASP A 85 35.154 43.294 30.059 1.00 0.00 ATOM 686 CB ASP A 85 34.925 44.076 28.753 1.00 0.00 ATOM 687 CG ASP A 85 36.187 44.789 28.269 1.00 0.00 ATOM 688 OD1 ASP A 85 37.055 45.109 29.106 1.00 0.00 ATOM 689 OD2 ASP A 85 36.326 45.014 27.047 1.00 0.00 ATOM 690 O ASP A 85 33.269 43.508 31.552 1.00 0.00 ATOM 691 C ASP A 85 33.823 42.830 30.675 1.00 0.00 ATOM 692 N LEU A 86 33.332 41.674 30.241 1.00 0.00 ATOM 693 CA LEU A 86 32.088 41.127 30.769 1.00 0.00 ATOM 694 CB LEU A 86 31.555 40.051 29.837 1.00 0.00 ATOM 695 CG LEU A 86 30.181 39.483 30.194 1.00 0.00 ATOM 696 CD1 LEU A 86 29.158 40.589 30.412 1.00 0.00 ATOM 697 CD2 LEU A 86 29.722 38.550 29.089 1.00 0.00 ATOM 698 O LEU A 86 31.324 40.573 32.989 1.00 0.00 ATOM 699 C LEU A 86 32.249 40.533 32.168 1.00 0.00 ATOM 700 N ARG A 87 33.410 39.954 32.433 1.00 0.00 ATOM 701 CA ARG A 87 33.729 39.519 33.779 1.00 0.00 ATOM 702 CB ARG A 87 35.028 38.746 33.773 1.00 0.00 ATOM 703 CG ARG A 87 35.492 38.272 35.126 1.00 0.00 ATOM 704 CD ARG A 87 36.471 39.258 35.700 1.00 0.00 ATOM 705 NE ARG A 87 36.573 39.061 37.137 1.00 0.00 ATOM 706 CZ ARG A 87 37.539 39.588 37.870 1.00 0.00 ATOM 707 NH1 ARG A 87 38.471 40.344 37.304 1.00 0.00 ATOM 708 NH2 ARG A 87 37.581 39.328 39.166 1.00 0.00 ATOM 709 O ARG A 87 33.348 40.607 35.886 1.00 0.00 ATOM 710 C ARG A 87 33.781 40.712 34.735 1.00 0.00 ATOM 711 N GLU A 88 34.294 41.853 34.263 1.00 0.00 ATOM 712 CA GLU A 88 34.346 43.046 35.105 1.00 0.00 ATOM 713 CB GLU A 88 35.127 44.176 34.436 1.00 0.00 ATOM 714 CG GLU A 88 36.598 43.866 34.315 1.00 0.00 ATOM 715 CD GLU A 88 37.363 44.044 35.610 1.00 0.00 ATOM 716 OE1 GLU A 88 37.569 45.206 36.006 1.00 0.00 ATOM 717 OE2 GLU A 88 37.792 43.031 36.208 1.00 0.00 ATOM 718 O GLU A 88 32.695 43.826 36.650 1.00 0.00 ATOM 719 C GLU A 88 32.948 43.494 35.480 1.00 0.00 ATOM 720 N GLU A 89 32.031 43.465 34.515 1.00 0.00 ATOM 721 CA GLU A 89 30.627 43.755 34.795 1.00 0.00 ATOM 722 CB GLU A 89 29.811 43.892 33.514 1.00 0.00 ATOM 723 CG GLU A 89 28.364 44.365 33.714 1.00 0.00 ATOM 724 CD GLU A 89 28.269 45.731 34.401 1.00 0.00 ATOM 725 OE1 GLU A 89 29.131 46.596 34.113 1.00 0.00 ATOM 726 OE2 GLU A 89 27.338 45.930 35.227 1.00 0.00 ATOM 727 O GLU A 89 29.274 43.094 36.663 1.00 0.00 ATOM 728 C GLU A 89 29.983 42.715 35.729 1.00 0.00 ATOM 729 N SER A 90 30.217 41.424 35.484 1.00 0.00 ATOM 730 CA SER A 90 29.637 40.370 36.317 1.00 0.00 ATOM 731 CB SER A 90 29.991 38.972 35.782 1.00 0.00 ATOM 732 OG SER A 90 29.394 38.770 34.510 1.00 0.00 ATOM 733 O SER A 90 29.267 40.416 38.682 1.00 0.00 ATOM 734 C SER A 90 30.091 40.491 37.773 1.00 0.00 ATOM 735 N ASP A 91 31.386 40.701 37.985 1.00 0.00 ATOM 736 CA ASP A 91 31.955 40.725 39.340 1.00 0.00 ATOM 737 CB ASP A 91 33.392 40.175 39.328 1.00 0.00 ATOM 738 CG ASP A 91 33.441 38.654 39.065 1.00 0.00 ATOM 739 OD1 ASP A 91 32.398 37.997 39.172 1.00 0.00 ATOM 740 OD2 ASP A 91 34.509 38.096 38.733 1.00 0.00 ATOM 741 O ASP A 91 31.697 42.135 41.257 1.00 0.00 ATOM 742 C ASP A 91 31.901 42.095 40.045 1.00 0.00 ATOM 743 N TYR A 92 32.041 43.190 39.289 1.00 0.00 ATOM 744 CA TYR A 92 32.199 44.532 39.848 1.00 0.00 ATOM 745 CB TYR A 92 33.548 45.145 39.451 1.00 0.00 ATOM 746 CG TYR A 92 34.722 44.368 39.997 1.00 0.00 ATOM 747 CD1 TYR A 92 34.934 44.282 41.360 1.00 0.00 ATOM 748 CD2 TYR A 92 35.607 43.705 39.152 1.00 0.00 ATOM 749 CE1 TYR A 92 35.992 43.558 41.878 1.00 0.00 ATOM 750 CE2 TYR A 92 36.674 42.979 39.658 1.00 0.00 ATOM 751 CZ TYR A 92 36.872 42.921 41.016 1.00 0.00 ATOM 752 OH TYR A 92 37.901 42.196 41.552 1.00 0.00 ATOM 753 O TYR A 92 30.953 46.528 40.172 1.00 0.00 ATOM 754 C TYR A 92 31.088 45.510 39.504 1.00 0.00 ATOM 755 N GLY A 93 30.281 45.204 38.498 1.00 0.00 ATOM 756 CA GLY A 93 29.162 46.059 38.120 1.00 0.00 ATOM 757 O GLY A 93 27.778 44.805 39.614 1.00 0.00 ATOM 758 C GLY A 93 27.971 45.878 39.041 1.00 0.00 ATOM 759 N ILE A 94 27.172 46.930 39.193 1.00 0.00 ATOM 760 CA ILE A 94 26.029 46.872 40.110 1.00 0.00 ATOM 761 CB ILE A 94 26.284 47.689 41.385 1.00 0.00 ATOM 762 CG1 ILE A 94 26.515 49.165 41.071 1.00 0.00 ATOM 763 CG2 ILE A 94 27.492 47.123 42.146 1.00 0.00 ATOM 764 CD1 ILE A 94 26.829 50.003 42.311 1.00 0.00 ATOM 765 O ILE A 94 23.661 47.116 40.090 1.00 0.00 ATOM 766 C ILE A 94 24.703 47.263 39.464 1.00 0.00 ATOM 767 N TYR A 95 24.737 47.712 38.211 1.00 0.00 ATOM 768 CA TYR A 95 23.524 48.132 37.503 1.00 0.00 ATOM 769 CB TYR A 95 23.778 49.435 36.721 1.00 0.00 ATOM 770 CG TYR A 95 24.289 50.570 37.590 1.00 0.00 ATOM 771 CD1 TYR A 95 23.404 51.441 38.232 1.00 0.00 ATOM 772 CD2 TYR A 95 25.657 50.762 37.788 1.00 0.00 ATOM 773 CE1 TYR A 95 23.875 52.476 39.049 1.00 0.00 ATOM 774 CE2 TYR A 95 26.136 51.792 38.599 1.00 0.00 ATOM 775 CZ TYR A 95 25.241 52.644 39.224 1.00 0.00 ATOM 776 OH TYR A 95 25.719 53.656 40.024 1.00 0.00 ATOM 777 O TYR A 95 21.892 46.572 36.664 1.00 0.00 ATOM 778 C TYR A 95 23.027 47.037 36.550 1.00 0.00 ATOM 779 N LYS A 96 23.878 46.633 35.614 1.00 0.00 ATOM 780 CA LYS A 96 23.465 45.708 34.558 1.00 0.00 ATOM 781 CB LYS A 96 24.405 45.795 33.355 1.00 0.00 ATOM 782 CG LYS A 96 24.489 47.170 32.712 1.00 0.00 ATOM 783 CD LYS A 96 25.453 47.169 31.529 1.00 0.00 ATOM 784 O LYS A 96 24.314 43.873 35.856 1.00 0.00 ATOM 785 C LYS A 96 23.447 44.272 35.068 1.00 0.00 ATOM 786 N GLU A 97 22.451 43.510 34.618 1.00 0.00 ATOM 787 CA GLU A 97 22.454 42.059 34.777 1.00 0.00 ATOM 788 CB GLU A 97 21.113 41.541 35.302 1.00 0.00 ATOM 789 CG GLU A 97 20.857 41.882 36.773 1.00 0.00 ATOM 790 CD GLU A 97 20.073 40.802 37.506 1.00 0.00 ATOM 791 OE1 GLU A 97 20.697 39.814 37.962 1.00 0.00 ATOM 792 OE2 GLU A 97 18.834 40.942 37.621 1.00 0.00 ATOM 793 O GLU A 97 22.521 41.978 32.372 1.00 0.00 ATOM 794 C GLU A 97 22.791 41.416 33.440 1.00 0.00 ATOM 795 N VAL A 98 23.395 40.241 33.515 1.00 0.00 ATOM 796 CA VAL A 98 23.856 39.523 32.341 1.00 0.00 ATOM 797 CB VAL A 98 25.172 38.788 32.631 1.00 0.00 ATOM 798 CG1 VAL A 98 25.628 38.014 31.398 1.00 0.00 ATOM 799 CG2 VAL A 98 26.242 39.784 33.057 1.00 0.00 ATOM 800 O VAL A 98 22.262 37.781 32.735 1.00 0.00 ATOM 801 C VAL A 98 22.790 38.530 31.915 1.00 0.00 ATOM 802 N SER A 99 22.471 38.532 30.627 1.00 0.00 ATOM 803 CA SER A 99 21.434 37.657 30.091 1.00 0.00 ATOM 804 CB SER A 99 20.899 38.231 28.788 1.00 0.00 ATOM 805 OG SER A 99 21.909 38.236 27.798 1.00 0.00 ATOM 806 O SER A 99 23.178 36.040 29.771 1.00 0.00 ATOM 807 C SER A 99 21.970 36.254 29.833 1.00 0.00 ATOM 808 N LYS A 100 21.050 35.311 29.675 1.00 0.00 ATOM 809 CA LYS A 100 21.374 33.959 29.253 1.00 0.00 ATOM 810 CB LYS A 100 20.082 33.171 29.058 1.00 0.00 ATOM 811 CG LYS A 100 20.266 31.687 28.740 1.00 0.00 ATOM 812 CD LYS A 100 18.908 30.968 28.754 1.00 0.00 ATOM 813 CE LYS A 100 18.983 29.564 28.168 1.00 0.00 ATOM 814 NZ LYS A 100 17.702 28.835 28.400 1.00 0.00 ATOM 815 O LYS A 100 23.134 33.246 27.773 1.00 0.00 ATOM 816 C LYS A 100 22.167 33.987 27.942 1.00 0.00 ATOM 817 N ASP A 101 21.747 34.861 27.032 1.00 0.00 ATOM 818 CA ASP A 101 22.351 34.887 25.704 1.00 0.00 ATOM 819 CB ASP A 101 21.448 35.601 24.693 1.00 0.00 ATOM 820 CG ASP A 101 20.354 34.682 24.147 1.00 0.00 ATOM 821 OD1 ASP A 101 20.695 33.661 23.506 1.00 0.00 ATOM 822 OD2 ASP A 101 19.159 34.974 24.367 1.00 0.00 ATOM 823 O ASP A 101 24.624 34.902 24.974 1.00 0.00 ATOM 824 C ASP A 101 23.785 35.423 25.715 1.00 0.00 ATOM 825 N LEU A 102 24.086 36.401 26.569 1.00 0.00 ATOM 826 CA LEU A 102 25.476 36.846 26.752 1.00 0.00 ATOM 827 CB LEU A 102 25.581 38.066 27.673 1.00 0.00 ATOM 828 CG LEU A 102 25.818 39.386 26.957 1.00 0.00 ATOM 829 CD1 LEU A 102 25.742 40.540 27.943 1.00 0.00 ATOM 830 CD2 LEU A 102 27.163 39.353 26.249 1.00 0.00 ATOM 831 O LEU A 102 27.458 35.529 26.894 1.00 0.00 ATOM 832 C LEU A 102 26.336 35.747 27.339 1.00 0.00 ATOM 833 N ALA A 103 25.812 35.070 28.355 1.00 0.00 ATOM 834 CA ALA A 103 26.591 34.084 29.070 1.00 0.00 ATOM 835 CB ALA A 103 25.839 33.579 30.302 1.00 0.00 ATOM 836 O ALA A 103 28.048 32.401 28.187 1.00 0.00 ATOM 837 C ALA A 103 26.934 32.930 28.147 1.00 0.00 ATOM 838 N ILE A 104 25.977 32.513 27.327 1.00 0.00 ATOM 839 CA ILE A 104 26.249 31.410 26.399 1.00 0.00 ATOM 840 CB ILE A 104 24.970 30.883 25.731 1.00 0.00 ATOM 841 CG1 ILE A 104 25.169 29.400 25.372 1.00 0.00 ATOM 842 CG2 ILE A 104 24.605 31.727 24.523 1.00 0.00 ATOM 843 CD1 ILE A 104 23.899 28.670 25.082 1.00 0.00 ATOM 844 O ILE A 104 28.178 30.977 25.041 1.00 0.00 ATOM 845 C ILE A 104 27.327 31.801 25.391 1.00 0.00 ATOM 846 N LYS A 105 27.313 33.057 24.948 1.00 0.00 ATOM 847 CA LYS A 105 28.333 33.570 24.028 1.00 0.00 ATOM 848 CB LYS A 105 28.115 35.052 23.682 1.00 0.00 ATOM 849 CG LYS A 105 27.063 35.390 22.636 1.00 0.00 ATOM 850 CD LYS A 105 26.961 36.912 22.417 1.00 0.00 ATOM 851 CE LYS A 105 25.845 37.257 21.445 1.00 0.00 ATOM 852 NZ LYS A 105 25.980 38.637 20.890 1.00 0.00 ATOM 853 O LYS A 105 30.661 33.013 23.991 1.00 0.00 ATOM 854 C LYS A 105 29.717 33.455 24.643 1.00 0.00 ATOM 855 N ILE A 106 29.854 33.891 25.896 1.00 0.00 ATOM 856 CA ILE A 106 31.167 33.873 26.536 1.00 0.00 ATOM 857 CB ILE A 106 31.198 34.715 27.831 1.00 0.00 ATOM 858 CG1 ILE A 106 30.900 36.176 27.510 1.00 0.00 ATOM 859 CG2 ILE A 106 32.543 34.593 28.543 1.00 0.00 ATOM 860 CD1 ILE A 106 31.612 36.763 26.271 1.00 0.00 ATOM 861 O ILE A 106 32.757 32.094 26.698 1.00 0.00 ATOM 862 C ILE A 106 31.585 32.445 26.812 1.00 0.00 ATOM 863 N LEU A 107 30.635 31.602 27.169 1.00 0.00 ATOM 864 CA LEU A 107 30.963 30.210 27.431 1.00 0.00 ATOM 865 CB LEU A 107 29.717 29.499 27.921 1.00 0.00 ATOM 866 CG LEU A 107 29.794 28.059 28.401 1.00 0.00 ATOM 867 CD1 LEU A 107 30.892 27.880 29.424 1.00 0.00 ATOM 868 CD2 LEU A 107 28.426 27.714 29.011 1.00 0.00 ATOM 869 O LEU A 107 32.535 28.772 26.255 1.00 0.00 ATOM 870 C LEU A 107 31.535 29.508 26.192 1.00 0.00 ATOM 871 N LYS A 108 30.898 29.739 25.054 1.00 0.00 ATOM 872 CA LYS A 108 31.340 29.130 23.813 1.00 0.00 ATOM 873 CB LYS A 108 30.281 29.330 22.743 1.00 0.00 ATOM 874 CG LYS A 108 29.064 28.428 22.950 1.00 0.00 ATOM 875 CD LYS A 108 28.003 28.675 21.858 1.00 0.00 ATOM 876 CE LYS A 108 26.802 27.762 22.048 1.00 0.00 ATOM 877 NZ LYS A 108 25.793 27.837 20.938 1.00 0.00 ATOM 878 O LYS A 108 33.567 28.939 22.919 1.00 0.00 ATOM 879 C LYS A 108 32.704 29.683 23.374 1.00 0.00 ATOM 880 N ASP A 109 32.906 30.981 23.570 1.00 0.00 ATOM 881 CA ASP A 109 34.213 31.596 23.374 1.00 0.00 ATOM 882 CB ASP A 109 34.172 33.080 23.662 1.00 0.00 ATOM 883 CG ASP A 109 33.631 33.898 22.500 1.00 0.00 ATOM 884 OD1 ASP A 109 33.420 33.369 21.386 1.00 0.00 ATOM 885 OD2 ASP A 109 33.424 35.102 22.726 1.00 0.00 ATOM 886 O ASP A 109 36.399 30.717 23.747 1.00 0.00 ATOM 887 C ASP A 109 35.292 30.962 24.240 1.00 0.00 ATOM 888 N ALA A 110 34.987 30.696 25.516 1.00 0.00 ATOM 889 CA ALA A 110 35.963 30.054 26.424 1.00 0.00 ATOM 890 CB ALA A 110 35.415 29.979 27.893 1.00 0.00 ATOM 891 O ALA A 110 37.486 28.250 25.933 1.00 0.00 ATOM 892 C ALA A 110 36.318 28.651 25.913 1.00 0.00 ATOM 893 N GLU A 111 35.317 27.886 25.476 1.00 0.00 ATOM 894 CA GLU A 111 35.576 26.550 24.958 1.00 0.00 ATOM 895 CB GLU A 111 34.307 25.876 24.463 1.00 0.00 ATOM 896 CG GLU A 111 33.370 25.339 25.458 1.00 0.00 ATOM 897 CD GLU A 111 32.216 24.598 24.748 1.00 0.00 ATOM 898 OE1 GLU A 111 31.223 25.266 24.390 1.00 0.00 ATOM 899 OE2 GLU A 111 32.315 23.370 24.573 1.00 0.00 ATOM 900 O GLU A 111 37.426 25.799 23.684 1.00 0.00 ATOM 901 C GLU A 111 36.531 26.607 23.778 1.00 0.00 ATOM 902 N ILE A 112 36.310 27.557 22.871 1.00 0.00 ATOM 903 CA ILE A 112 37.136 27.705 21.663 1.00 0.00 ATOM 904 CB ILE A 112 36.490 28.680 20.647 1.00 0.00 ATOM 905 CG1 ILE A 112 35.182 28.083 20.118 1.00 0.00 ATOM 906 CG2 ILE A 112 37.469 28.977 19.473 1.00 0.00 ATOM 907 CD1 ILE A 112 34.313 29.054 19.335 1.00 0.00 ATOM 908 O ILE A 112 39.538 27.643 21.556 1.00 0.00 ATOM 909 C ILE A 112 38.536 28.189 22.030 1.00 0.00 ATOM 910 N PHE A 113 38.596 29.199 22.899 1.00 0.00 ATOM 911 CA PHE A 113 39.858 29.795 23.308 1.00 0.00 ATOM 912 CB PHE A 113 39.634 31.068 24.135 1.00 0.00 ATOM 913 CG PHE A 113 40.888 31.860 24.387 1.00 0.00 ATOM 914 CD1 PHE A 113 41.688 31.586 25.485 1.00 0.00 ATOM 915 CD2 PHE A 113 41.272 32.874 23.520 1.00 0.00 ATOM 916 CE1 PHE A 113 42.825 32.314 25.729 1.00 0.00 ATOM 917 CE2 PHE A 113 42.411 33.610 23.760 1.00 0.00 ATOM 918 CZ PHE A 113 43.199 33.317 24.855 1.00 0.00 ATOM 919 O PHE A 113 41.918 28.654 23.778 1.00 0.00 ATOM 920 C PHE A 113 40.725 28.787 24.065 1.00 0.00 ATOM 921 N VAL A 114 40.122 28.036 24.985 1.00 0.00 ATOM 922 CA VAL A 114 40.904 27.061 25.753 1.00 0.00 ATOM 923 CB VAL A 114 40.128 26.522 26.918 1.00 0.00 ATOM 924 CG1 VAL A 114 40.904 25.381 27.588 1.00 0.00 ATOM 925 CG2 VAL A 114 39.801 27.680 27.940 1.00 0.00 ATOM 926 O VAL A 114 42.550 25.451 24.990 1.00 0.00 ATOM 927 C VAL A 114 41.415 25.915 24.849 1.00 0.00 ATOM 928 N GLN A 115 40.599 25.462 23.914 1.00 0.00 ATOM 929 CA GLN A 115 41.060 24.444 22.956 1.00 0.00 ATOM 930 CB GLN A 115 39.921 23.997 22.029 1.00 0.00 ATOM 931 CG GLN A 115 40.299 22.873 21.049 1.00 0.00 ATOM 932 CD GLN A 115 40.751 21.617 21.732 1.00 0.00 ATOM 933 OE1 GLN A 115 40.094 21.139 22.642 1.00 0.00 ATOM 934 NE2 GLN A 115 41.907 21.075 21.301 1.00 0.00 ATOM 935 O GLN A 115 43.225 24.255 21.961 1.00 0.00 ATOM 936 C GLN A 115 42.224 24.957 22.137 1.00 0.00 ATOM 937 N LYS A 116 42.121 26.181 21.635 1.00 0.00 ATOM 938 CA LYS A 116 43.216 26.754 20.868 1.00 0.00 ATOM 939 CB LYS A 116 42.809 28.072 20.209 1.00 0.00 ATOM 940 CG LYS A 116 41.956 27.839 18.955 1.00 0.00 ATOM 941 CD LYS A 116 41.691 29.106 18.197 1.00 0.00 ATOM 942 CE LYS A 116 41.864 28.916 16.682 1.00 0.00 ATOM 943 NZ LYS A 116 41.964 30.225 15.942 1.00 0.00 ATOM 944 O LYS A 116 45.587 26.754 21.126 1.00 0.00 ATOM 945 C LYS A 116 44.495 26.907 21.668 1.00 0.00 ATOM 946 N ALA A 117 44.358 27.188 22.958 1.00 0.00 ATOM 947 CA ALA A 117 45.505 27.296 23.840 1.00 0.00 ATOM 948 CB ALA A 117 45.073 27.859 25.202 1.00 0.00 ATOM 949 O ALA A 117 47.379 25.805 23.935 1.00 0.00 ATOM 950 C ALA A 117 46.156 25.934 23.998 1.00 0.00 ATOM 951 N LYS A 118 45.336 24.913 24.190 1.00 0.00 ATOM 952 CA LYS A 118 45.826 23.544 24.305 1.00 0.00 ATOM 953 CB LYS A 118 44.668 22.600 24.572 1.00 0.00 ATOM 954 CG LYS A 118 44.218 22.635 25.993 1.00 0.00 ATOM 955 CD LYS A 118 42.843 22.068 26.191 1.00 0.00 ATOM 956 CE LYS A 118 42.734 20.646 25.777 1.00 0.00 ATOM 957 NZ LYS A 118 41.479 20.063 26.330 1.00 0.00 ATOM 958 O LYS A 118 47.693 22.542 23.105 1.00 0.00 ATOM 959 C LYS A 118 46.599 23.136 23.038 1.00 0.00 ATOM 960 N ASN A 119 46.051 23.490 21.888 1.00 0.00 ATOM 961 CA ASN A 119 46.740 23.223 20.630 1.00 0.00 ATOM 962 CB ASN A 119 45.904 23.703 19.440 1.00 0.00 ATOM 963 CG ASN A 119 44.571 22.945 19.279 1.00 0.00 ATOM 964 ND2 ASN A 119 43.663 23.526 18.484 1.00 0.00 ATOM 965 OD1 ASN A 119 44.355 21.871 19.855 1.00 0.00 ATOM 966 O ASN A 119 49.138 23.231 20.309 1.00 0.00 ATOM 967 C ASN A 119 48.127 23.883 20.615 1.00 0.00 ATOM 968 N ALA A 120 48.178 25.163 20.981 1.00 0.00 ATOM 969 CA ALA A 120 49.401 25.955 20.907 1.00 0.00 ATOM 970 CB ALA A 120 49.116 27.412 21.278 1.00 0.00 ATOM 971 O ALA A 120 51.684 25.510 21.442 1.00 0.00 ATOM 972 C ALA A 120 50.515 25.420 21.799 1.00 0.00 ATOM 973 N VAL A 121 50.162 24.891 22.965 1.00 0.00 ATOM 974 CA VAL A 121 51.170 24.426 23.928 1.00 0.00 ATOM 975 CB VAL A 121 50.866 24.932 25.351 1.00 0.00 ATOM 976 CG1 VAL A 121 50.730 26.430 25.335 1.00 0.00 ATOM 977 CG2 VAL A 121 49.611 24.279 25.910 1.00 0.00 ATOM 978 O VAL A 121 51.869 22.336 24.871 1.00 0.00 ATOM 979 C VAL A 121 51.296 22.907 23.939 1.00 0.00 ATOM 980 N ASN A 122 50.760 22.267 22.904 1.00 0.00 ATOM 981 CA ASN A 122 50.819 20.825 22.730 1.00 0.00 ATOM 982 CB ASN A 122 52.269 20.359 22.493 1.00 0.00 ATOM 983 CG ASN A 122 52.939 21.077 21.327 1.00 0.00 ATOM 984 ND2 ASN A 122 52.327 20.999 20.152 1.00 0.00 ATOM 985 OD1 ASN A 122 53.989 21.710 21.492 1.00 0.00 ATOM 986 O ASN A 122 50.791 19.065 24.333 1.00 0.00 ATOM 987 C ASN A 122 50.222 20.058 23.899 1.00 0.00 ATOM 988 N LYS A 123 49.085 20.526 24.413 1.00 0.00 ATOM 989 CA LYS A 123 48.388 19.837 25.490 1.00 0.00 ATOM 990 CB LYS A 123 48.245 20.757 26.699 1.00 0.00 ATOM 991 CG LYS A 123 49.564 21.024 27.440 1.00 0.00 ATOM 992 CD LYS A 123 49.942 19.845 28.304 1.00 0.00 ATOM 993 CE LYS A 123 51.127 20.117 29.197 1.00 0.00 ATOM 994 NZ LYS A 123 51.481 18.916 29.992 1.00 0.00 ATOM 995 O LYS A 123 46.165 19.028 25.819 1.00 0.00 ATOM 996 C LYS A 123 47.036 19.332 25.014 1.00 0.00 ATOM 997 N ASN A 124 46.845 19.225 23.698 1.00 0.00 ATOM 998 CA ASN A 124 45.595 18.670 23.196 1.00 0.00 ATOM 999 CB ASN A 124 45.208 19.277 21.835 1.00 0.00 ATOM 1000 CG ASN A 124 46.230 19.013 20.766 1.00 0.00 ATOM 1001 ND2 ASN A 124 45.754 18.770 19.538 1.00 0.00 ATOM 1002 OD1 ASN A 124 47.442 19.027 21.026 1.00 0.00 ATOM 1003 O ASN A 124 44.933 16.497 22.416 1.00 0.00 ATOM 1004 C ASN A 124 45.688 17.142 23.141 1.00 0.00 ATOM 1005 N ARG A 125 46.536 16.594 24.014 1.00 0.00 ATOM 1006 CA ARG A 125 47.045 15.225 23.969 1.00 0.00 ATOM 1007 CB ARG A 125 48.411 15.146 24.681 1.00 0.00 ATOM 1008 CG ARG A 125 49.295 16.403 24.687 1.00 0.00 ATOM 1009 CD ARG A 125 50.663 16.080 24.099 1.00 0.00 ATOM 1010 NE ARG A 125 50.528 15.920 22.652 1.00 0.00 ATOM 1011 CZ ARG A 125 50.552 14.767 21.984 1.00 0.00 ATOM 1012 NH1 ARG A 125 50.770 13.613 22.595 1.00 0.00 ATOM 1013 NH2 ARG A 125 50.374 14.784 20.668 1.00 0.00 ATOM 1014 O ARG A 125 45.740 14.550 25.823 1.00 0.00 ATOM 1015 C ARG A 125 46.137 14.247 24.709 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 T0367.undertaker-align.pdb looking for model 1 WARNING: atoms too close: (T0367)R57.C and (T0367)G58.C only 0.000 apart, marking (T0367)G58.C as missing WARNING: atoms too close: (T0367)G58.N and (T0367)T59.N only 0.000 apart, marking (T0367)G58.N as missing WARNING: atoms too close: (T0367)G58.CA and (T0367)T59.CA only 0.000 apart, marking (T0367)G58.CA as missing # WARNING: incomplete conformation T0367 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 = 0.856 # GDT_score = -72.400 # GDT_score(maxd=8.000,maxw=2.900)= -74.746 # GDT_score(maxd=8.000,maxw=3.200)= -72.748 # GDT_score(maxd=8.000,maxw=3.500)= -70.442 # GDT_score(maxd=10.000,maxw=3.800)= -71.866 # GDT_score(maxd=10.000,maxw=4.000)= -70.318 # GDT_score(maxd=10.000,maxw=4.200)= -68.736 # GDT_score(maxd=12.000,maxw=4.300)= -70.985 # GDT_score(maxd=12.000,maxw=4.500)= -69.436 # GDT_score(maxd=12.000,maxw=4.700)= -67.853 # GDT_score(maxd=14.000,maxw=5.200)= -66.528 # GDT_score(maxd=14.000,maxw=5.500)= -64.252 # command:# ReadConformPDB reading from PDB file T0367.undertaker-align.pdb looking for model 2 # WARNING: incomplete conformation T0367 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 = 0.928 # GDT_score = -72.200 # GDT_score(maxd=8.000,maxw=2.900)= -72.595 # GDT_score(maxd=8.000,maxw=3.200)= -70.120 # GDT_score(maxd=8.000,maxw=3.500)= -67.516 # GDT_score(maxd=10.000,maxw=3.800)= -69.830 # GDT_score(maxd=10.000,maxw=4.000)= -68.140 # GDT_score(maxd=10.000,maxw=4.200)= -66.370 # GDT_score(maxd=12.000,maxw=4.300)= -69.341 # GDT_score(maxd=12.000,maxw=4.500)= -67.606 # GDT_score(maxd=12.000,maxw=4.700)= -65.890 # GDT_score(maxd=14.000,maxw=5.200)= -64.826 # GDT_score(maxd=14.000,maxw=5.500)= -62.303 # command:# ReadConformPDB reading from PDB file T0367.undertaker-align.pdb looking for model 3 WARNING: atoms too close: (T0367)E65.C and (T0367)E69.C only 0.000 apart, marking (T0367)E69.C as missing WARNING: atoms too close: (T0367)C66.N and (T0367)L70.N only 0.000 apart, marking (T0367)C66.N as missing WARNING: atoms too close: (T0367)C66.CA and (T0367)L70.CA only 0.000 apart, marking (T0367)C66.CA as missing WARNING: atoms too close: (T0367)I94.C and (T0367)V98.C only 0.000 apart, marking (T0367)V98.C as missing WARNING: atoms too close: (T0367)Y95.N and (T0367)S99.N only 0.000 apart, marking (T0367)Y95.N as missing WARNING: atoms too close: (T0367)Y95.CA and (T0367)S99.CA only 0.000 apart, marking (T0367)Y95.CA as missing # WARNING: incomplete conformation T0367 can't currently be optimized by undertaker # command:# naming current conformation align3 # command:# ReadConformPDB reading from PDB file T0367.undertaker-align.pdb looking for model 4 WARNING: atoms too close: (T0367)H40.C and (T0367)D52.C only 0.000 apart, marking (T0367)D52.C as missing WARNING: atoms too close: (T0367)A41.N and (T0367)S53.N only 0.000 apart, marking (T0367)A41.N as missing WARNING: atoms too close: (T0367)A41.CA and (T0367)S53.CA only 0.000 apart, marking (T0367)A41.CA as missing WARNING: atoms too close: (T0367)S90.C and (T0367)K100.C only 0.000 apart, marking (T0367)K100.C as missing WARNING: atoms too close: (T0367)D91.N and (T0367)D101.N only 0.000 apart, marking (T0367)D91.N as missing WARNING: atoms too close: (T0367)D91.CA and (T0367)D101.CA only 0.000 apart, marking (T0367)D91.CA as missing # WARNING: incomplete conformation T0367 can't currently be optimized by undertaker # command:# naming current conformation align4 # command:# ReadConformPDB reading from PDB file T0367.undertaker-align.pdb looking for model 5 # WARNING: incomplete conformation T0367 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 122 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file ../model2.ts-submitted looking for model 1 # Found a chain break before 124 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file ../model3.ts-submitted looking for model 1 # Found a chain break before 98 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file ../model4.ts-submitted looking for model 1 # Found a chain break before 94 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file ../model5.ts-submitted looking for model 1 # Found a chain break before 98 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0367.try1-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 96 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0367.try1-opt1.pdb.gz looking for model 1 # Found a chain break before 96 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0367.try1-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 60 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0367.try1-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 60 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0367.try1-opt2.pdb.gz looking for model 1 # Found a chain break before 98 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0367.try1-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 98 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0367.try10-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 92 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0367.try10-opt1.pdb.gz looking for model 1 # Found a chain break before 92 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0367.try10-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 63 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0367.try10-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 63 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0367.try10-opt2.pdb.gz looking for model 1 # Found a chain break before 98 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0367.try10-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 98 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0367.try11-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 98 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0367.try11-opt1.pdb.gz looking for model 1 # Found a chain break before 98 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0367.try11-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 60 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0367.try11-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 Error: Reading chain from PDB file T0367.try11-opt2.gromacs0.repack-nonPC.pdb.gz failed. # ReadConformPDB reading from PDB file T0367.try11-opt2.pdb.gz looking for model 1 # Found a chain break before 98 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0367.try12-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 122 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0367.try12-opt1.pdb.gz looking for model 1 # Found a chain break before 122 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0367.try12-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 95 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0367.try12-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 95 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0367.try12-opt2.pdb.gz looking for model 1 # Found a chain break before 122 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0367.try12-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 122 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0367.try13-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 124 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0367.try13-opt1.pdb.gz looking for model 1 # Found a chain break before 124 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0367.try13-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 95 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0367.try13-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 95 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0367.try13-opt2.pdb.gz looking for model 1 # Found a chain break before 124 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0367.try13-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 124 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0367.try14-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 124 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0367.try14-opt1.pdb.gz looking for model 1 # Found a chain break before 124 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0367.try14-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 96 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0367.try14-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 96 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0367.try14-opt2.pdb.gz looking for model 1 # Found a chain break before 124 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0367.try14-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 124 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0367.try2-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 98 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0367.try2-opt1.pdb.gz looking for model 1 # Found a chain break before 98 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0367.try2-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 60 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0367.try2-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 60 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0367.try2-opt2.pdb.gz looking for model 1 # Found a chain break before 98 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0367.try2-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 98 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0367.try3-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 98 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0367.try3-opt1.pdb.gz looking for model 1 # Found a chain break before 98 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0367.try3-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 60 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0367.try3-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 60 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0367.try3-opt2.pdb.gz looking for model 1 # Found a chain break before 98 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0367.try3-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 98 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0367.try4-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 98 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0367.try4-opt1.pdb.gz looking for model 1 # Found a chain break before 98 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0367.try4-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 60 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0367.try4-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 60 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0367.try4-opt2.pdb.gz looking for model 1 # Found a chain break before 98 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0367.try4-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 98 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0367.try5-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 123 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0367.try5-opt1.pdb.gz looking for model 1 # Found a chain break before 123 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0367.try5-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 74 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0367.try5-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 74 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0367.try5-opt2.pdb.gz looking for model 1 # Found a chain break before 123 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0367.try5-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 123 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0367.try6-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 100 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0367.try6-opt1.pdb.gz looking for model 1 # Found a chain break before 100 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0367.try6-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 94 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0367.try6-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 94 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0367.try6-opt2.pdb.gz looking for model 1 # Found a chain break before 122 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0367.try6-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 122 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0367.try7-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 94 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0367.try7-opt1.pdb.gz looking for model 1 # Found a chain break before 94 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0367.try7-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 58 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0367.try7-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 58 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0367.try7-opt2.pdb.gz looking for model 1 # Found a chain break before 94 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0367.try7-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 94 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0367.try8-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 124 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0367.try8-opt1.pdb.gz looking for model 1 # Found a chain break before 124 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0367.try8-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 124 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0367.try8-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 124 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0367.try8-opt2.pdb.gz looking for model 1 # Found a chain break before 124 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0367.try8-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 124 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0367.try9-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 94 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0367.try9-opt1.pdb.gz looking for model 1 # Found a chain break before 94 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0367.try9-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 95 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0367.try9-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 95 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0367.try9-opt2.pdb.gz looking for model 1 # Found a chain break before 94 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0367.try9-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 94 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file tr367.gromacs0.pdb.gz looking for model 1 # Found a chain break before 72 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file tr367.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 72 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file tr367.pdb.gz looking for model 1 # Found a chain break before 58 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file tr367.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 58 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file servers/3D-JIGSAW_POPULUS_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0367 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_POPULUS_TS1 # request to SCWRL produces command: ulimit -t 113 ; scwrl3 -i /var/tmp/to_scwrl_532419931.pdb -s /var/tmp/to_scwrl_532419931.seq -o /var/tmp/from_scwrl_532419931.pdb > /var/tmp/scwrl_532419931.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_532419931.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 94 # copying to AlignedFragments data structure # naming current conformation 3D-JIGSAW_POPULUS_TS2 # request to SCWRL produces command: ulimit -t 113 ; scwrl3 -i /var/tmp/to_scwrl_1143117973.pdb -s /var/tmp/to_scwrl_1143117973.seq -o /var/tmp/from_scwrl_1143117973.pdb > /var/tmp/scwrl_1143117973.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1143117973.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 94 # copying to AlignedFragments data structure # naming current conformation 3D-JIGSAW_POPULUS_TS3 # request to SCWRL produces command: ulimit -t 113 ; scwrl3 -i /var/tmp/to_scwrl_1257979052.pdb -s /var/tmp/to_scwrl_1257979052.seq -o /var/tmp/from_scwrl_1257979052.pdb > /var/tmp/scwrl_1257979052.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1257979052.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 115 # copying to AlignedFragments data structure # naming current conformation 3D-JIGSAW_POPULUS_TS4 # request to SCWRL produces command: ulimit -t 113 ; scwrl3 -i /var/tmp/to_scwrl_884213107.pdb -s /var/tmp/to_scwrl_884213107.seq -o /var/tmp/from_scwrl_884213107.pdb > /var/tmp/scwrl_884213107.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_884213107.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 53 # copying to AlignedFragments data structure # naming current conformation 3D-JIGSAW_POPULUS_TS5 # request to SCWRL produces command: ulimit -t 113 ; scwrl3 -i /var/tmp/to_scwrl_1633316589.pdb -s /var/tmp/to_scwrl_1633316589.seq -o /var/tmp/from_scwrl_1633316589.pdb > /var/tmp/scwrl_1633316589.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1633316589.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 T0367 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS1 # request to SCWRL produces command: ulimit -t 113 ; scwrl3 -i /var/tmp/to_scwrl_1590646056.pdb -s /var/tmp/to_scwrl_1590646056.seq -o /var/tmp/from_scwrl_1590646056.pdb > /var/tmp/scwrl_1590646056.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1590646056.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 # Found a chain break before 113 # copying to AlignedFragments data structure # naming current conformation 3D-JIGSAW_RECOM_TS2 # request to SCWRL produces command: ulimit -t 113 ; scwrl3 -i /var/tmp/to_scwrl_1990141885.pdb -s /var/tmp/to_scwrl_1990141885.seq -o /var/tmp/from_scwrl_1990141885.pdb > /var/tmp/scwrl_1990141885.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1990141885.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 T0367 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS3 # request to SCWRL produces command: ulimit -t 113 ; scwrl3 -i /var/tmp/to_scwrl_1607738457.pdb -s /var/tmp/to_scwrl_1607738457.seq -o /var/tmp/from_scwrl_1607738457.pdb > /var/tmp/scwrl_1607738457.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1607738457.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 T0367 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS4 # request to SCWRL produces command: ulimit -t 113 ; scwrl3 -i /var/tmp/to_scwrl_107491410.pdb -s /var/tmp/to_scwrl_107491410.seq -o /var/tmp/from_scwrl_107491410.pdb > /var/tmp/scwrl_107491410.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_107491410.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 T0367 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS5 # request to SCWRL produces command: ulimit -t 113 ; scwrl3 -i /var/tmp/to_scwrl_1085876437.pdb -s /var/tmp/to_scwrl_1085876437.seq -o /var/tmp/from_scwrl_1085876437.pdb > /var/tmp/scwrl_1085876437.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1085876437.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 T0367 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_TS1 # request to SCWRL produces command: ulimit -t 113 ; scwrl3 -i /var/tmp/to_scwrl_1015526244.pdb -s /var/tmp/to_scwrl_1015526244.seq -o /var/tmp/from_scwrl_1015526244.pdb > /var/tmp/scwrl_1015526244.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1015526244.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 T0367 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_TS2 # request to SCWRL produces command: ulimit -t 113 ; scwrl3 -i /var/tmp/to_scwrl_843359151.pdb -s /var/tmp/to_scwrl_843359151.seq -o /var/tmp/from_scwrl_843359151.pdb > /var/tmp/scwrl_843359151.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_843359151.pdb # conformation set from SCWRL output # naming current conformation 3D-JIGSAW_TS2-scwrl # ReadConformPDB reading from PDB file servers/3D-JIGSAW_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0367 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_TS3 # request to SCWRL produces command: ulimit -t 113 ; scwrl3 -i /var/tmp/to_scwrl_1673976387.pdb -s /var/tmp/to_scwrl_1673976387.seq -o /var/tmp/from_scwrl_1673976387.pdb > /var/tmp/scwrl_1673976387.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1673976387.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 T0367 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_TS4 # request to SCWRL produces command: ulimit -t 113 ; scwrl3 -i /var/tmp/to_scwrl_794174284.pdb -s /var/tmp/to_scwrl_794174284.seq -o /var/tmp/from_scwrl_794174284.pdb > /var/tmp/scwrl_794174284.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_794174284.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 T0367 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_TS5 # request to SCWRL produces command: ulimit -t 113 ; scwrl3 -i /var/tmp/to_scwrl_702186229.pdb -s /var/tmp/to_scwrl_702186229.seq -o /var/tmp/from_scwrl_702186229.pdb > /var/tmp/scwrl_702186229.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_702186229.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 59 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS1 # request to SCWRL produces command: ulimit -t 113 ; scwrl3 -i /var/tmp/to_scwrl_1011505002.pdb -s /var/tmp/to_scwrl_1011505002.seq -o /var/tmp/from_scwrl_1011505002.pdb > /var/tmp/scwrl_1011505002.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1011505002.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 58 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS2 # request to SCWRL produces command: ulimit -t 113 ; scwrl3 -i /var/tmp/to_scwrl_539459982.pdb -s /var/tmp/to_scwrl_539459982.seq -o /var/tmp/from_scwrl_539459982.pdb > /var/tmp/scwrl_539459982.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_539459982.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 85 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS3 # request to SCWRL produces command: ulimit -t 113 ; scwrl3 -i /var/tmp/to_scwrl_1285401493.pdb -s /var/tmp/to_scwrl_1285401493.seq -o /var/tmp/from_scwrl_1285401493.pdb > /var/tmp/scwrl_1285401493.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1285401493.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 58 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS4 # request to SCWRL produces command: ulimit -t 113 ; scwrl3 -i /var/tmp/to_scwrl_357366105.pdb -s /var/tmp/to_scwrl_357366105.seq -o /var/tmp/from_scwrl_357366105.pdb > /var/tmp/scwrl_357366105.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_357366105.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 94 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS5 # request to SCWRL produces command: ulimit -t 113 ; scwrl3 -i /var/tmp/to_scwrl_297658293.pdb -s /var/tmp/to_scwrl_297658293.seq -o /var/tmp/from_scwrl_297658293.pdb > /var/tmp/scwrl_297658293.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_297658293.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 27 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS1 # request to SCWRL produces command: ulimit -t 113 ; scwrl3 -i /var/tmp/to_scwrl_2023758779.pdb -s /var/tmp/to_scwrl_2023758779.seq -o /var/tmp/from_scwrl_2023758779.pdb > /var/tmp/scwrl_2023758779.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2023758779.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 99 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS2 # request to SCWRL produces command: ulimit -t 113 ; scwrl3 -i /var/tmp/to_scwrl_2054999455.pdb -s /var/tmp/to_scwrl_2054999455.seq -o /var/tmp/from_scwrl_2054999455.pdb > /var/tmp/scwrl_2054999455.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2054999455.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 89 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS3 # request to SCWRL produces command: ulimit -t 113 ; scwrl3 -i /var/tmp/to_scwrl_366258345.pdb -s /var/tmp/to_scwrl_366258345.seq -o /var/tmp/from_scwrl_366258345.pdb > /var/tmp/scwrl_366258345.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_366258345.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 102 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS4 # request to SCWRL produces command: ulimit -t 113 ; scwrl3 -i /var/tmp/to_scwrl_199686407.pdb -s /var/tmp/to_scwrl_199686407.seq -o /var/tmp/from_scwrl_199686407.pdb > /var/tmp/scwrl_199686407.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_199686407.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 123 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS5 # request to SCWRL produces command: ulimit -t 113 ; scwrl3 -i /var/tmp/to_scwrl_2079330726.pdb -s /var/tmp/to_scwrl_2079330726.seq -o /var/tmp/from_scwrl_2079330726.pdb > /var/tmp/scwrl_2079330726.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2079330726.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 83 # copying to AlignedFragments data structure # naming current conformation BayesHH_TS1 # request to SCWRL produces command: ulimit -t 113 ; scwrl3 -i /var/tmp/to_scwrl_876602515.pdb -s /var/tmp/to_scwrl_876602515.seq -o /var/tmp/from_scwrl_876602515.pdb > /var/tmp/scwrl_876602515.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_876602515.pdb # conformation set from SCWRL output # naming current conformation BayesHH_TS1-scwrl # ReadConformPDB reading from PDB file servers/Bilab-ENABLE_TS1.pdb.gz looking for model 1 # naming current conformation Bilab-ENABLE_TS1 # request to SCWRL produces command: ulimit -t 113 ; scwrl3 -i /var/tmp/to_scwrl_1913889407.pdb -s /var/tmp/to_scwrl_1913889407.seq -o /var/tmp/from_scwrl_1913889407.pdb > /var/tmp/scwrl_1913889407.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1913889407.pdb # conformation set from SCWRL output # naming current conformation Bilab-ENABLE_TS1-scwrl # ReadConformPDB reading from PDB file servers/Bilab-ENABLE_TS2.pdb.gz looking for model 1 # Found a chain break before 89 # copying to AlignedFragments data structure # naming current conformation Bilab-ENABLE_TS2 # request to SCWRL produces command: ulimit -t 113 ; scwrl3 -i /var/tmp/to_scwrl_1695057911.pdb -s /var/tmp/to_scwrl_1695057911.seq -o /var/tmp/from_scwrl_1695057911.pdb > /var/tmp/scwrl_1695057911.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1695057911.pdb # conformation set from SCWRL output # naming current conformation Bilab-ENABLE_TS2-scwrl # ReadConformPDB reading from PDB file servers/Bilab-ENABLE_TS3.pdb.gz looking for model 1 # Found a chain break before 89 # copying to AlignedFragments data structure # naming current conformation Bilab-ENABLE_TS3 # request to SCWRL produces command: ulimit -t 113 ; scwrl3 -i /var/tmp/to_scwrl_1170927343.pdb -s /var/tmp/to_scwrl_1170927343.seq -o /var/tmp/from_scwrl_1170927343.pdb > /var/tmp/scwrl_1170927343.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1170927343.pdb # conformation set from SCWRL output # naming current conformation Bilab-ENABLE_TS3-scwrl # ReadConformPDB reading from PDB file servers/CIRCLE_TS1.pdb.gz looking for model 1 # Found a chain break before 119 # copying to AlignedFragments data structure # naming current conformation CIRCLE_TS1 # request to SCWRL produces command: ulimit -t 113 ; scwrl3 -i /var/tmp/to_scwrl_929785037.pdb -s /var/tmp/to_scwrl_929785037.seq -o /var/tmp/from_scwrl_929785037.pdb > /var/tmp/scwrl_929785037.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_929785037.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 95 # copying to AlignedFragments data structure # naming current conformation CIRCLE_TS2 # request to SCWRL produces command: ulimit -t 113 ; scwrl3 -i /var/tmp/to_scwrl_311995722.pdb -s /var/tmp/to_scwrl_311995722.seq -o /var/tmp/from_scwrl_311995722.pdb > /var/tmp/scwrl_311995722.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_311995722.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 T0367 can't currently be optimized by undertaker # naming current conformation CIRCLE_TS3 # request to SCWRL produces command: ulimit -t 113 ; scwrl3 -i /var/tmp/to_scwrl_1703347275.pdb -s /var/tmp/to_scwrl_1703347275.seq -o /var/tmp/from_scwrl_1703347275.pdb > /var/tmp/scwrl_1703347275.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1703347275.pdb # conformation set from SCWRL output # naming current conformation CIRCLE_TS3-scwrl # ReadConformPDB reading from PDB file servers/CIRCLE_TS4.pdb.gz looking for model 1 # Found a chain break before 58 # copying to AlignedFragments data structure # naming current conformation CIRCLE_TS4 # request to SCWRL produces command: ulimit -t 113 ; scwrl3 -i /var/tmp/to_scwrl_2072903011.pdb -s /var/tmp/to_scwrl_2072903011.seq -o /var/tmp/from_scwrl_2072903011.pdb > /var/tmp/scwrl_2072903011.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2072903011.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 T0367 can't currently be optimized by undertaker # naming current conformation CIRCLE_TS5 # request to SCWRL produces command: ulimit -t 113 ; scwrl3 -i /var/tmp/to_scwrl_1569974775.pdb -s /var/tmp/to_scwrl_1569974775.seq -o /var/tmp/from_scwrl_1569974775.pdb > /var/tmp/scwrl_1569974775.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1569974775.pdb # conformation set from SCWRL output # naming current conformation CIRCLE_TS5-scwrl # ReadConformPDB reading from PDB file servers/CPHmodels_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0367 can't currently be optimized by undertaker # naming current conformation CPHmodels_TS1 # request to SCWRL produces command: ulimit -t 113 ; scwrl3 -i /var/tmp/to_scwrl_440076735.pdb -s /var/tmp/to_scwrl_440076735.seq -o /var/tmp/from_scwrl_440076735.pdb > /var/tmp/scwrl_440076735.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_440076735.pdb # conformation set from SCWRL output # naming current conformation CPHmodels_TS1-scwrl # ReadConformPDB reading from PDB file servers/CaspIta-FOX_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0367 can't currently be optimized by undertaker # naming current conformation CaspIta-FOX_TS1 # request to SCWRL produces command: ulimit -t 113 ; scwrl3 -i /var/tmp/to_scwrl_1558735953.pdb -s /var/tmp/to_scwrl_1558735953.seq -o /var/tmp/from_scwrl_1558735953.pdb > /var/tmp/scwrl_1558735953.log Error: Couldn't open file /var/tmp/from_scwrl_1558735953.pdb or /var/tmp/from_scwrl_1558735953.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1558735953_b.pdb or decoys//var/tmp/from_scwrl_1558735953_b.pdb.gz for input Trying /var/tmp/from_scwrl_1558735953_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1558735953_b.pdb or /var/tmp/from_scwrl_1558735953_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1558735953_a.pdb or decoys//var/tmp/from_scwrl_1558735953_a.pdb.gz for input Trying /var/tmp/from_scwrl_1558735953_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1558735953_a.pdb or /var/tmp/from_scwrl_1558735953_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1558735953.pdb or /var/tmp/from_scwrl_1558735953_b.pdb or /var/tmp/from_scwrl_1558735953_a.pdb Error: no new SCWRL conformation added # 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 T0367 can't currently be optimized by undertaker # naming current conformation CaspIta-FOX_TS2 # request to SCWRL produces command: ulimit -t 113 ; scwrl3 -i /var/tmp/to_scwrl_1013137185.pdb -s /var/tmp/to_scwrl_1013137185.seq -o /var/tmp/from_scwrl_1013137185.pdb > /var/tmp/scwrl_1013137185.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1013137185.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 T0367 can't currently be optimized by undertaker # naming current conformation CaspIta-FOX_TS3 # request to SCWRL produces command: ulimit -t 113 ; scwrl3 -i /var/tmp/to_scwrl_282734974.pdb -s /var/tmp/to_scwrl_282734974.seq -o /var/tmp/from_scwrl_282734974.pdb > /var/tmp/scwrl_282734974.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_282734974.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 T0367 can't currently be optimized by undertaker # naming current conformation CaspIta-FOX_TS4 # request to SCWRL produces command: ulimit -t 113 ; scwrl3 -i /var/tmp/to_scwrl_1018990765.pdb -s /var/tmp/to_scwrl_1018990765.seq -o /var/tmp/from_scwrl_1018990765.pdb > /var/tmp/scwrl_1018990765.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1018990765.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 T0367 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation CaspIta-FOX_TS5 # request to SCWRL produces command: ulimit -t 113 ; scwrl3 -i /var/tmp/to_scwrl_1120628594.pdb -s /var/tmp/to_scwrl_1120628594.seq -o /var/tmp/from_scwrl_1120628594.pdb > /var/tmp/scwrl_1120628594.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1120628594.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 T0367 can't currently be optimized by undertaker # naming current conformation Distill_TS1 # request to SCWRL produces command: ulimit -t 113 ; scwrl3 -i /var/tmp/to_scwrl_1368611411.pdb -s /var/tmp/to_scwrl_1368611411.seq -o /var/tmp/from_scwrl_1368611411.pdb > /var/tmp/scwrl_1368611411.log Error: Couldn't open file /var/tmp/from_scwrl_1368611411.pdb or /var/tmp/from_scwrl_1368611411.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1368611411_b.pdb or decoys//var/tmp/from_scwrl_1368611411_b.pdb.gz for input Trying /var/tmp/from_scwrl_1368611411_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1368611411_b.pdb or /var/tmp/from_scwrl_1368611411_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1368611411_a.pdb or decoys//var/tmp/from_scwrl_1368611411_a.pdb.gz for input Trying /var/tmp/from_scwrl_1368611411_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1368611411_a.pdb or /var/tmp/from_scwrl_1368611411_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1368611411.pdb or /var/tmp/from_scwrl_1368611411_b.pdb or /var/tmp/from_scwrl_1368611411_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 T0367 can't currently be optimized by undertaker # naming current conformation Distill_TS2 # request to SCWRL produces command: ulimit -t 113 ; scwrl3 -i /var/tmp/to_scwrl_2034517008.pdb -s /var/tmp/to_scwrl_2034517008.seq -o /var/tmp/from_scwrl_2034517008.pdb > /var/tmp/scwrl_2034517008.log Error: Couldn't open file /var/tmp/from_scwrl_2034517008.pdb or /var/tmp/from_scwrl_2034517008.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2034517008_b.pdb or decoys//var/tmp/from_scwrl_2034517008_b.pdb.gz for input Trying /var/tmp/from_scwrl_2034517008_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_2034517008_b.pdb or /var/tmp/from_scwrl_2034517008_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2034517008_a.pdb or decoys//var/tmp/from_scwrl_2034517008_a.pdb.gz for input Trying /var/tmp/from_scwrl_2034517008_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_2034517008_a.pdb or /var/tmp/from_scwrl_2034517008_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_2034517008.pdb or /var/tmp/from_scwrl_2034517008_b.pdb or /var/tmp/from_scwrl_2034517008_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 T0367 can't currently be optimized by undertaker # naming current conformation Distill_TS3 # request to SCWRL produces command: ulimit -t 113 ; scwrl3 -i /var/tmp/to_scwrl_1963987745.pdb -s /var/tmp/to_scwrl_1963987745.seq -o /var/tmp/from_scwrl_1963987745.pdb > /var/tmp/scwrl_1963987745.log Error: Couldn't open file /var/tmp/from_scwrl_1963987745.pdb or /var/tmp/from_scwrl_1963987745.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1963987745_b.pdb or decoys//var/tmp/from_scwrl_1963987745_b.pdb.gz for input Trying /var/tmp/from_scwrl_1963987745_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1963987745_b.pdb or /var/tmp/from_scwrl_1963987745_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1963987745_a.pdb or decoys//var/tmp/from_scwrl_1963987745_a.pdb.gz for input Trying /var/tmp/from_scwrl_1963987745_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1963987745_a.pdb or /var/tmp/from_scwrl_1963987745_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1963987745.pdb or /var/tmp/from_scwrl_1963987745_b.pdb or /var/tmp/from_scwrl_1963987745_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 T0367 can't currently be optimized by undertaker # naming current conformation Distill_TS4 # request to SCWRL produces command: ulimit -t 113 ; scwrl3 -i /var/tmp/to_scwrl_895104152.pdb -s /var/tmp/to_scwrl_895104152.seq -o /var/tmp/from_scwrl_895104152.pdb > /var/tmp/scwrl_895104152.log Error: Couldn't open file /var/tmp/from_scwrl_895104152.pdb or /var/tmp/from_scwrl_895104152.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_895104152_b.pdb or decoys//var/tmp/from_scwrl_895104152_b.pdb.gz for input Trying /var/tmp/from_scwrl_895104152_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_895104152_b.pdb or /var/tmp/from_scwrl_895104152_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_895104152_a.pdb or decoys//var/tmp/from_scwrl_895104152_a.pdb.gz for input Trying /var/tmp/from_scwrl_895104152_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_895104152_a.pdb or /var/tmp/from_scwrl_895104152_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_895104152.pdb or /var/tmp/from_scwrl_895104152_b.pdb or /var/tmp/from_scwrl_895104152_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 T0367 can't currently be optimized by undertaker # naming current conformation Distill_TS5 # request to SCWRL produces command: ulimit -t 113 ; scwrl3 -i /var/tmp/to_scwrl_681207645.pdb -s /var/tmp/to_scwrl_681207645.seq -o /var/tmp/from_scwrl_681207645.pdb > /var/tmp/scwrl_681207645.log Error: Couldn't open file /var/tmp/from_scwrl_681207645.pdb or /var/tmp/from_scwrl_681207645.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_681207645_b.pdb or decoys//var/tmp/from_scwrl_681207645_b.pdb.gz for input Trying /var/tmp/from_scwrl_681207645_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_681207645_b.pdb or /var/tmp/from_scwrl_681207645_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_681207645_a.pdb or decoys//var/tmp/from_scwrl_681207645_a.pdb.gz for input Trying /var/tmp/from_scwrl_681207645_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_681207645_a.pdb or /var/tmp/from_scwrl_681207645_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_681207645.pdb or /var/tmp/from_scwrl_681207645_b.pdb or /var/tmp/from_scwrl_681207645_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 93 # copying to AlignedFragments data structure # naming current conformation FAMSD_TS1 # request to SCWRL produces command: ulimit -t 113 ; scwrl3 -i /var/tmp/to_scwrl_518690328.pdb -s /var/tmp/to_scwrl_518690328.seq -o /var/tmp/from_scwrl_518690328.pdb > /var/tmp/scwrl_518690328.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_518690328.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 T0367 can't currently be optimized by undertaker # naming current conformation FAMSD_TS2 # request to SCWRL produces command: ulimit -t 113 ; scwrl3 -i /var/tmp/to_scwrl_1906609154.pdb -s /var/tmp/to_scwrl_1906609154.seq -o /var/tmp/from_scwrl_1906609154.pdb > /var/tmp/scwrl_1906609154.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1906609154.pdb # conformation set from SCWRL output # naming current conformation FAMSD_TS2-scwrl # ReadConformPDB reading from PDB file servers/FAMSD_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0367 can't currently be optimized by undertaker # naming current conformation FAMSD_TS3 # request to SCWRL produces command: ulimit -t 113 ; scwrl3 -i /var/tmp/to_scwrl_1220667626.pdb -s /var/tmp/to_scwrl_1220667626.seq -o /var/tmp/from_scwrl_1220667626.pdb > /var/tmp/scwrl_1220667626.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1220667626.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 T0367 can't currently be optimized by undertaker # naming current conformation FAMSD_TS4 # request to SCWRL produces command: ulimit -t 113 ; scwrl3 -i /var/tmp/to_scwrl_1804091821.pdb -s /var/tmp/to_scwrl_1804091821.seq -o /var/tmp/from_scwrl_1804091821.pdb > /var/tmp/scwrl_1804091821.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1804091821.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 T0367 can't currently be optimized by undertaker # naming current conformation FAMSD_TS5 # request to SCWRL produces command: ulimit -t 113 ; scwrl3 -i /var/tmp/to_scwrl_116491612.pdb -s /var/tmp/to_scwrl_116491612.seq -o /var/tmp/from_scwrl_116491612.pdb > /var/tmp/scwrl_116491612.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_116491612.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 121 # copying to AlignedFragments data structure # naming current conformation FAMS_TS1 # request to SCWRL produces command: ulimit -t 113 ; scwrl3 -i /var/tmp/to_scwrl_1518325920.pdb -s /var/tmp/to_scwrl_1518325920.seq -o /var/tmp/from_scwrl_1518325920.pdb > /var/tmp/scwrl_1518325920.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1518325920.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 T0367 can't currently be optimized by undertaker # naming current conformation FAMS_TS2 # request to SCWRL produces command: ulimit -t 113 ; scwrl3 -i /var/tmp/to_scwrl_1680366953.pdb -s /var/tmp/to_scwrl_1680366953.seq -o /var/tmp/from_scwrl_1680366953.pdb > /var/tmp/scwrl_1680366953.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1680366953.pdb # conformation set from SCWRL output # naming current conformation FAMS_TS2-scwrl # ReadConformPDB reading from PDB file servers/FAMS_TS3.pdb.gz looking for model 1 # Found a chain break before 95 # copying to AlignedFragments data structure # naming current conformation FAMS_TS3 # request to SCWRL produces command: ulimit -t 113 ; scwrl3 -i /var/tmp/to_scwrl_24007420.pdb -s /var/tmp/to_scwrl_24007420.seq -o /var/tmp/from_scwrl_24007420.pdb > /var/tmp/scwrl_24007420.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_24007420.pdb # conformation set from SCWRL output # naming current conformation FAMS_TS3-scwrl # ReadConformPDB reading from PDB file servers/FAMS_TS4.pdb.gz looking for model 1 # Found a chain break before 58 # copying to AlignedFragments data structure # naming current conformation FAMS_TS4 # request to SCWRL produces command: ulimit -t 113 ; scwrl3 -i /var/tmp/to_scwrl_1884584265.pdb -s /var/tmp/to_scwrl_1884584265.seq -o /var/tmp/from_scwrl_1884584265.pdb > /var/tmp/scwrl_1884584265.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1884584265.pdb # conformation set from SCWRL output # naming current conformation FAMS_TS4-scwrl # ReadConformPDB reading from PDB file servers/FAMS_TS5.pdb.gz looking for model 1 # Found a chain break before 113 # copying to AlignedFragments data structure # naming current conformation FAMS_TS5 # request to SCWRL produces command: ulimit -t 113 ; scwrl3 -i /var/tmp/to_scwrl_1880053360.pdb -s /var/tmp/to_scwrl_1880053360.seq -o /var/tmp/from_scwrl_1880053360.pdb > /var/tmp/scwrl_1880053360.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1880053360.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 59 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS1 # request to SCWRL produces command: ulimit -t 113 ; scwrl3 -i /var/tmp/to_scwrl_2103338146.pdb -s /var/tmp/to_scwrl_2103338146.seq -o /var/tmp/from_scwrl_2103338146.pdb > /var/tmp/scwrl_2103338146.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2103338146.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 113 ; scwrl3 -i /var/tmp/to_scwrl_613703133.pdb -s /var/tmp/to_scwrl_613703133.seq -o /var/tmp/from_scwrl_613703133.pdb > /var/tmp/scwrl_613703133.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_613703133.pdb # conformation set from SCWRL output # naming current conformation FOLDpro_TS2-scwrl # ReadConformPDB reading from PDB file servers/FOLDpro_TS3.pdb.gz looking for model 1 # naming current conformation FOLDpro_TS3 # request to SCWRL produces command: ulimit -t 113 ; scwrl3 -i /var/tmp/to_scwrl_1646459121.pdb -s /var/tmp/to_scwrl_1646459121.seq -o /var/tmp/from_scwrl_1646459121.pdb > /var/tmp/scwrl_1646459121.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1646459121.pdb # conformation set from SCWRL output # naming current conformation FOLDpro_TS3-scwrl # ReadConformPDB reading from PDB file servers/FOLDpro_TS4.pdb.gz looking for model 1 # Found a chain break before 85 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS4 # request to SCWRL produces command: ulimit -t 113 ; scwrl3 -i /var/tmp/to_scwrl_1650912410.pdb -s /var/tmp/to_scwrl_1650912410.seq -o /var/tmp/from_scwrl_1650912410.pdb > /var/tmp/scwrl_1650912410.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1650912410.pdb # conformation set from SCWRL output # naming current conformation FOLDpro_TS4-scwrl # ReadConformPDB reading from PDB file servers/FOLDpro_TS5.pdb.gz looking for model 1 # naming current conformation FOLDpro_TS5 # request to SCWRL produces command: ulimit -t 113 ; scwrl3 -i /var/tmp/to_scwrl_1784630477.pdb -s /var/tmp/to_scwrl_1784630477.seq -o /var/tmp/from_scwrl_1784630477.pdb > /var/tmp/scwrl_1784630477.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1784630477.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 T0367 can't currently be optimized by undertaker # naming current conformation FORTE1_AL1 # request to SCWRL produces command: ulimit -t 113 ; scwrl3 -i /var/tmp/to_scwrl_428760511.pdb -s /var/tmp/to_scwrl_428760511.seq -o /var/tmp/from_scwrl_428760511.pdb > /var/tmp/scwrl_428760511.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_428760511.pdb # conformation set from SCWRL output # naming current conformation FORTE1_AL1-scwrl # ReadConformPDB reading from PDB file servers/FORTE1_AL2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0367 can't currently be optimized by undertaker # naming current conformation FORTE1_AL2 # request to SCWRL produces command: ulimit -t 113 ; scwrl3 -i /var/tmp/to_scwrl_1962908133.pdb -s /var/tmp/to_scwrl_1962908133.seq -o /var/tmp/from_scwrl_1962908133.pdb > /var/tmp/scwrl_1962908133.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1962908133.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 T0367 can't currently be optimized by undertaker # naming current conformation FORTE1_AL3 # request to SCWRL produces command: ulimit -t 113 ; scwrl3 -i /var/tmp/to_scwrl_1340494105.pdb -s /var/tmp/to_scwrl_1340494105.seq -o /var/tmp/from_scwrl_1340494105.pdb > /var/tmp/scwrl_1340494105.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1340494105.pdb # conformation set from SCWRL output # naming current conformation FORTE1_AL3-scwrl # ReadConformPDB reading from PDB file servers/FORTE1_AL4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0367 can't currently be optimized by undertaker # naming current conformation FORTE1_AL4 # request to SCWRL produces command: ulimit -t 113 ; scwrl3 -i /var/tmp/to_scwrl_354179875.pdb -s /var/tmp/to_scwrl_354179875.seq -o /var/tmp/from_scwrl_354179875.pdb > /var/tmp/scwrl_354179875.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_354179875.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 T0367 can't currently be optimized by undertaker # naming current conformation FORTE1_AL5 # request to SCWRL produces command: ulimit -t 113 ; scwrl3 -i /var/tmp/to_scwrl_1385399261.pdb -s /var/tmp/to_scwrl_1385399261.seq -o /var/tmp/from_scwrl_1385399261.pdb > /var/tmp/scwrl_1385399261.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1385399261.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 T0367 can't currently be optimized by undertaker # naming current conformation FORTE2_AL1 # request to SCWRL produces command: ulimit -t 113 ; scwrl3 -i /var/tmp/to_scwrl_1780570840.pdb -s /var/tmp/to_scwrl_1780570840.seq -o /var/tmp/from_scwrl_1780570840.pdb > /var/tmp/scwrl_1780570840.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1780570840.pdb # conformation set from SCWRL output # naming current conformation FORTE2_AL1-scwrl # ReadConformPDB reading from PDB file servers/FORTE2_AL2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0367 can't currently be optimized by undertaker # naming current conformation FORTE2_AL2 # request to SCWRL produces command: ulimit -t 113 ; scwrl3 -i /var/tmp/to_scwrl_1912915829.pdb -s /var/tmp/to_scwrl_1912915829.seq -o /var/tmp/from_scwrl_1912915829.pdb > /var/tmp/scwrl_1912915829.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1912915829.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 T0367 can't currently be optimized by undertaker # naming current conformation FORTE2_AL3 # request to SCWRL produces command: ulimit -t 113 ; scwrl3 -i /var/tmp/to_scwrl_251052799.pdb -s /var/tmp/to_scwrl_251052799.seq -o /var/tmp/from_scwrl_251052799.pdb > /var/tmp/scwrl_251052799.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_251052799.pdb # conformation set from SCWRL output # naming current conformation FORTE2_AL3-scwrl # ReadConformPDB reading from PDB file servers/FORTE2_AL4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0367 can't currently be optimized by undertaker # naming current conformation FORTE2_AL4 # request to SCWRL produces command: ulimit -t 113 ; scwrl3 -i /var/tmp/to_scwrl_2063305814.pdb -s /var/tmp/to_scwrl_2063305814.seq -o /var/tmp/from_scwrl_2063305814.pdb > /var/tmp/scwrl_2063305814.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2063305814.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 T0367 can't currently be optimized by undertaker # naming current conformation FORTE2_AL5 # request to SCWRL produces command: ulimit -t 113 ; scwrl3 -i /var/tmp/to_scwrl_784422947.pdb -s /var/tmp/to_scwrl_784422947.seq -o /var/tmp/from_scwrl_784422947.pdb > /var/tmp/scwrl_784422947.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_784422947.pdb # conformation set from SCWRL output # naming current conformation FORTE2_AL5-scwrl # ReadConformPDB reading from PDB file servers/FUGMOD_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0367 can't currently be optimized by undertaker # naming current conformation FUGMOD_TS1 # request to SCWRL produces command: ulimit -t 113 ; scwrl3 -i /var/tmp/to_scwrl_1371681393.pdb -s /var/tmp/to_scwrl_1371681393.seq -o /var/tmp/from_scwrl_1371681393.pdb > /var/tmp/scwrl_1371681393.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1371681393.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 # WARNING: incomplete conformation T0367 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FUGMOD_TS2 # request to SCWRL produces command: ulimit -t 113 ; scwrl3 -i /var/tmp/to_scwrl_1284433579.pdb -s /var/tmp/to_scwrl_1284433579.seq -o /var/tmp/from_scwrl_1284433579.pdb > /var/tmp/scwrl_1284433579.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1284433579.pdb # conformation set from SCWRL output # naming current conformation FUGMOD_TS2-scwrl # ReadConformPDB reading from PDB file servers/FUGMOD_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0367 can't currently be optimized by undertaker # naming current conformation FUGMOD_TS3 # request to SCWRL produces command: ulimit -t 113 ; scwrl3 -i /var/tmp/to_scwrl_671456308.pdb -s /var/tmp/to_scwrl_671456308.seq -o /var/tmp/from_scwrl_671456308.pdb > /var/tmp/scwrl_671456308.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_671456308.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 16 # copying to AlignedFragments data structure # naming current conformation FUGMOD_TS4 # request to SCWRL produces command: ulimit -t 113 ; scwrl3 -i /var/tmp/to_scwrl_1188185492.pdb -s /var/tmp/to_scwrl_1188185492.seq -o /var/tmp/from_scwrl_1188185492.pdb > /var/tmp/scwrl_1188185492.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1188185492.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 # Found a chain break before 98 # copying to AlignedFragments data structure # naming current conformation FUGMOD_TS5 # request to SCWRL produces command: ulimit -t 113 ; scwrl3 -i /var/tmp/to_scwrl_32054084.pdb -s /var/tmp/to_scwrl_32054084.seq -o /var/tmp/from_scwrl_32054084.pdb > /var/tmp/scwrl_32054084.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_32054084.pdb # conformation set from SCWRL output # naming current conformation FUGMOD_TS5-scwrl # ReadConformPDB reading from PDB file servers/FUGUE_AL1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0367 can't currently be optimized by undertaker # naming current conformation FUGUE_AL1 # request to SCWRL produces command: ulimit -t 113 ; scwrl3 -i /var/tmp/to_scwrl_1352663953.pdb -s /var/tmp/to_scwrl_1352663953.seq -o /var/tmp/from_scwrl_1352663953.pdb > /var/tmp/scwrl_1352663953.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1352663953.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 T0367 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FUGUE_AL2 # request to SCWRL produces command: ulimit -t 113 ; scwrl3 -i /var/tmp/to_scwrl_1706875820.pdb -s /var/tmp/to_scwrl_1706875820.seq -o /var/tmp/from_scwrl_1706875820.pdb > /var/tmp/scwrl_1706875820.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1706875820.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 T0367 can't currently be optimized by undertaker # naming current conformation FUGUE_AL3 # request to SCWRL produces command: ulimit -t 113 ; scwrl3 -i /var/tmp/to_scwrl_1938663238.pdb -s /var/tmp/to_scwrl_1938663238.seq -o /var/tmp/from_scwrl_1938663238.pdb > /var/tmp/scwrl_1938663238.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1938663238.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 T0367 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FUGUE_AL4 # request to SCWRL produces command: ulimit -t 113 ; scwrl3 -i /var/tmp/to_scwrl_425847933.pdb -s /var/tmp/to_scwrl_425847933.seq -o /var/tmp/from_scwrl_425847933.pdb > /var/tmp/scwrl_425847933.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_425847933.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 Skipped atom 25, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL5.pdb.gz Skipped atom 26, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL5.pdb.gz Skipped atom 27, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL5.pdb.gz Skipped atom 28, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL5.pdb.gz Skipped atom 81, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL5.pdb.gz Skipped atom 178, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL5.pdb.gz Skipped atom 179, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL5.pdb.gz Skipped atom 180, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL5.pdb.gz Skipped atom 181, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL5.pdb.gz Skipped atom 190, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL5.pdb.gz Skipped atom 207, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL5.pdb.gz Skipped atom 208, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL5.pdb.gz Skipped atom 209, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL5.pdb.gz Skipped atom 210, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL5.pdb.gz Skipped atom 351, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL5.pdb.gz Skipped atom 420, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL5.pdb.gz Skipped atom 453, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL5.pdb.gz # WARNING: incomplete conformation T0367 can't currently be optimized by undertaker # naming current conformation FUGUE_AL5 # request to SCWRL produces command: ulimit -t 113 ; scwrl3 -i /var/tmp/to_scwrl_1363483994.pdb -s /var/tmp/to_scwrl_1363483994.seq -o /var/tmp/from_scwrl_1363483994.pdb > /var/tmp/scwrl_1363483994.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1363483994.pdb # conformation set from SCWRL output # naming current conformation FUGUE_AL5-scwrl # ReadConformPDB reading from PDB file servers/FUNCTION_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0367 can't currently be optimized by undertaker # naming current conformation FUNCTION_TS1 # request to SCWRL produces command: ulimit -t 113 ; scwrl3 -i /var/tmp/to_scwrl_2055154850.pdb -s /var/tmp/to_scwrl_2055154850.seq -o /var/tmp/from_scwrl_2055154850.pdb > /var/tmp/scwrl_2055154850.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2055154850.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 # WARNING: incomplete conformation T0367 can't currently be optimized by undertaker # naming current conformation FUNCTION_TS2 # request to SCWRL produces command: ulimit -t 113 ; scwrl3 -i /var/tmp/to_scwrl_1944173853.pdb -s /var/tmp/to_scwrl_1944173853.seq -o /var/tmp/from_scwrl_1944173853.pdb > /var/tmp/scwrl_1944173853.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1944173853.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 113 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS3 # request to SCWRL produces command: ulimit -t 113 ; scwrl3 -i /var/tmp/to_scwrl_896367301.pdb -s /var/tmp/to_scwrl_896367301.seq -o /var/tmp/from_scwrl_896367301.pdb > /var/tmp/scwrl_896367301.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_896367301.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 # WARNING: incomplete conformation T0367 can't currently be optimized by undertaker # naming current conformation FUNCTION_TS4 # request to SCWRL produces command: ulimit -t 113 ; scwrl3 -i /var/tmp/to_scwrl_2079162271.pdb -s /var/tmp/to_scwrl_2079162271.seq -o /var/tmp/from_scwrl_2079162271.pdb > /var/tmp/scwrl_2079162271.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2079162271.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 119 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS5 # request to SCWRL produces command: ulimit -t 113 ; scwrl3 -i /var/tmp/to_scwrl_1681274471.pdb -s /var/tmp/to_scwrl_1681274471.seq -o /var/tmp/from_scwrl_1681274471.pdb > /var/tmp/scwrl_1681274471.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1681274471.pdb # conformation set from SCWRL output # naming current conformation FUNCTION_TS5-scwrl # ReadConformPDB reading from PDB file servers/Frankenstein_TS1.pdb.gz looking for model 1 # Found a chain break before 57 # copying to AlignedFragments data structure # naming current conformation Frankenstein_TS1 # request to SCWRL produces command: ulimit -t 113 ; scwrl3 -i /var/tmp/to_scwrl_628937014.pdb -s /var/tmp/to_scwrl_628937014.seq -o /var/tmp/from_scwrl_628937014.pdb > /var/tmp/scwrl_628937014.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_628937014.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 88 # copying to AlignedFragments data structure # naming current conformation Frankenstein_TS2 # request to SCWRL produces command: ulimit -t 113 ; scwrl3 -i /var/tmp/to_scwrl_2035016770.pdb -s /var/tmp/to_scwrl_2035016770.seq -o /var/tmp/from_scwrl_2035016770.pdb > /var/tmp/scwrl_2035016770.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2035016770.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 113 ; scwrl3 -i /var/tmp/to_scwrl_147493958.pdb -s /var/tmp/to_scwrl_147493958.seq -o /var/tmp/from_scwrl_147493958.pdb > /var/tmp/scwrl_147493958.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_147493958.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 83 # copying to AlignedFragments data structure # naming current conformation Frankenstein_TS4 # request to SCWRL produces command: ulimit -t 113 ; scwrl3 -i /var/tmp/to_scwrl_127912488.pdb -s /var/tmp/to_scwrl_127912488.seq -o /var/tmp/from_scwrl_127912488.pdb > /var/tmp/scwrl_127912488.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_127912488.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 # Found a chain break before 92 # copying to AlignedFragments data structure # naming current conformation Frankenstein_TS5 # request to SCWRL produces command: ulimit -t 113 ; scwrl3 -i /var/tmp/to_scwrl_1538445534.pdb -s /var/tmp/to_scwrl_1538445534.seq -o /var/tmp/from_scwrl_1538445534.pdb > /var/tmp/scwrl_1538445534.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1538445534.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 # Found a chain break before 90 # copying to AlignedFragments data structure # naming current conformation GeneSilicoMetaServer_TS1 # request to SCWRL produces command: ulimit -t 113 ; scwrl3 -i /var/tmp/to_scwrl_1932124435.pdb -s /var/tmp/to_scwrl_1932124435.seq -o /var/tmp/from_scwrl_1932124435.pdb > /var/tmp/scwrl_1932124435.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1932124435.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 T0367 can't currently be optimized by undertaker # naming current conformation GeneSilicoMetaServer_TS2 # request to SCWRL produces command: ulimit -t 113 ; scwrl3 -i /var/tmp/to_scwrl_556673000.pdb -s /var/tmp/to_scwrl_556673000.seq -o /var/tmp/from_scwrl_556673000.pdb > /var/tmp/scwrl_556673000.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_556673000.pdb # conformation set from SCWRL output # naming current conformation GeneSilicoMetaServer_TS2-scwrl # ReadConformPDB reading from PDB file servers/GeneSilicoMetaServer_TS3.pdb.gz looking for model 1 # naming current conformation GeneSilicoMetaServer_TS3 # request to SCWRL produces command: ulimit -t 113 ; scwrl3 -i /var/tmp/to_scwrl_1353870020.pdb -s /var/tmp/to_scwrl_1353870020.seq -o /var/tmp/from_scwrl_1353870020.pdb > /var/tmp/scwrl_1353870020.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1353870020.pdb # conformation set from SCWRL output # naming current conformation GeneSilicoMetaServer_TS3-scwrl # ReadConformPDB reading from PDB file servers/GeneSilicoMetaServer_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0367 can't currently be optimized by undertaker # naming current conformation GeneSilicoMetaServer_TS4 # request to SCWRL produces command: ulimit -t 113 ; scwrl3 -i /var/tmp/to_scwrl_1125134893.pdb -s /var/tmp/to_scwrl_1125134893.seq -o /var/tmp/from_scwrl_1125134893.pdb > /var/tmp/scwrl_1125134893.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1125134893.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 T0367 can't currently be optimized by undertaker # naming current conformation GeneSilicoMetaServer_TS5 # request to SCWRL produces command: ulimit -t 113 ; scwrl3 -i /var/tmp/to_scwrl_910852875.pdb -s /var/tmp/to_scwrl_910852875.seq -o /var/tmp/from_scwrl_910852875.pdb > /var/tmp/scwrl_910852875.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_910852875.pdb # conformation set from SCWRL output # naming current conformation GeneSilicoMetaServer_TS5-scwrl # ReadConformPDB reading from PDB file servers/HHpred1_TS1.pdb.gz looking for model 1 # Found a chain break before 74 # copying to AlignedFragments data structure # naming current conformation HHpred1_TS1 # request to SCWRL produces command: ulimit -t 113 ; scwrl3 -i /var/tmp/to_scwrl_591785635.pdb -s /var/tmp/to_scwrl_591785635.seq -o /var/tmp/from_scwrl_591785635.pdb > /var/tmp/scwrl_591785635.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_591785635.pdb # conformation set from SCWRL output # naming current conformation HHpred1_TS1-scwrl # ReadConformPDB reading from PDB file servers/HHpred2_TS1.pdb.gz looking for model 1 # naming current conformation HHpred2_TS1 # request to SCWRL produces command: ulimit -t 113 ; scwrl3 -i /var/tmp/to_scwrl_758222087.pdb -s /var/tmp/to_scwrl_758222087.seq -o /var/tmp/from_scwrl_758222087.pdb > /var/tmp/scwrl_758222087.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_758222087.pdb # conformation set from SCWRL output # naming current conformation HHpred2_TS1-scwrl # ReadConformPDB reading from PDB file servers/HHpred3_TS1.pdb.gz looking for model 1 # naming current conformation HHpred3_TS1 # request to SCWRL produces command: ulimit -t 113 ; scwrl3 -i /var/tmp/to_scwrl_676285057.pdb -s /var/tmp/to_scwrl_676285057.seq -o /var/tmp/from_scwrl_676285057.pdb > /var/tmp/scwrl_676285057.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_676285057.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 T0367 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS1 # request to SCWRL produces command: ulimit -t 113 ; scwrl3 -i /var/tmp/to_scwrl_842838434.pdb -s /var/tmp/to_scwrl_842838434.seq -o /var/tmp/from_scwrl_842838434.pdb > /var/tmp/scwrl_842838434.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_842838434.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 T0367 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS2 # request to SCWRL produces command: ulimit -t 113 ; scwrl3 -i /var/tmp/to_scwrl_674044255.pdb -s /var/tmp/to_scwrl_674044255.seq -o /var/tmp/from_scwrl_674044255.pdb > /var/tmp/scwrl_674044255.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_674044255.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 T0367 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS3 # request to SCWRL produces command: ulimit -t 113 ; scwrl3 -i /var/tmp/to_scwrl_1460708003.pdb -s /var/tmp/to_scwrl_1460708003.seq -o /var/tmp/from_scwrl_1460708003.pdb > /var/tmp/scwrl_1460708003.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1460708003.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 T0367 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS4 # request to SCWRL produces command: ulimit -t 113 ; scwrl3 -i /var/tmp/to_scwrl_67036180.pdb -s /var/tmp/to_scwrl_67036180.seq -o /var/tmp/from_scwrl_67036180.pdb > /var/tmp/scwrl_67036180.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_67036180.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 T0367 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS5 # request to SCWRL produces command: ulimit -t 113 ; scwrl3 -i /var/tmp/to_scwrl_1958477834.pdb -s /var/tmp/to_scwrl_1958477834.seq -o /var/tmp/from_scwrl_1958477834.pdb > /var/tmp/scwrl_1958477834.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1958477834.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 T0367 can't currently be optimized by undertaker # naming current conformation LOOPP_TS1 # request to SCWRL produces command: ulimit -t 113 ; scwrl3 -i /var/tmp/to_scwrl_2132164312.pdb -s /var/tmp/to_scwrl_2132164312.seq -o /var/tmp/from_scwrl_2132164312.pdb > /var/tmp/scwrl_2132164312.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2132164312.pdb # conformation set from SCWRL output # naming current conformation LOOPP_TS1-scwrl # ReadConformPDB reading from PDB file servers/LOOPP_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0367 can't currently be optimized by undertaker # naming current conformation LOOPP_TS2 # request to SCWRL produces command: ulimit -t 113 ; scwrl3 -i /var/tmp/to_scwrl_1255221672.pdb -s /var/tmp/to_scwrl_1255221672.seq -o /var/tmp/from_scwrl_1255221672.pdb > /var/tmp/scwrl_1255221672.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1255221672.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 T0367 can't currently be optimized by undertaker # naming current conformation LOOPP_TS3 # request to SCWRL produces command: ulimit -t 113 ; scwrl3 -i /var/tmp/to_scwrl_1990531918.pdb -s /var/tmp/to_scwrl_1990531918.seq -o /var/tmp/from_scwrl_1990531918.pdb > /var/tmp/scwrl_1990531918.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1990531918.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 T0367 can't currently be optimized by undertaker # naming current conformation LOOPP_TS4 # request to SCWRL produces command: ulimit -t 113 ; scwrl3 -i /var/tmp/to_scwrl_1337344618.pdb -s /var/tmp/to_scwrl_1337344618.seq -o /var/tmp/from_scwrl_1337344618.pdb > /var/tmp/scwrl_1337344618.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1337344618.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 T0367 can't currently be optimized by undertaker # naming current conformation LOOPP_TS5 # request to SCWRL produces command: ulimit -t 113 ; scwrl3 -i /var/tmp/to_scwrl_814613846.pdb -s /var/tmp/to_scwrl_814613846.seq -o /var/tmp/from_scwrl_814613846.pdb > /var/tmp/scwrl_814613846.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_814613846.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 T0367 can't currently be optimized by undertaker # naming current conformation MIG_FROST_AL1 # request to SCWRL produces command: ulimit -t 113 ; scwrl3 -i /var/tmp/to_scwrl_1781711510.pdb -s /var/tmp/to_scwrl_1781711510.seq -o /var/tmp/from_scwrl_1781711510.pdb > /var/tmp/scwrl_1781711510.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1781711510.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 88 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server2_TS1 # request to SCWRL produces command: ulimit -t 113 ; scwrl3 -i /var/tmp/to_scwrl_1763192551.pdb -s /var/tmp/to_scwrl_1763192551.seq -o /var/tmp/from_scwrl_1763192551.pdb > /var/tmp/scwrl_1763192551.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1763192551.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 87 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server2_TS2 # request to SCWRL produces command: ulimit -t 113 ; scwrl3 -i /var/tmp/to_scwrl_30614193.pdb -s /var/tmp/to_scwrl_30614193.seq -o /var/tmp/from_scwrl_30614193.pdb > /var/tmp/scwrl_30614193.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_30614193.pdb # conformation set from SCWRL output # naming current conformation Ma-OPUS-server2_TS2-scwrl # ReadConformPDB reading from PDB file servers/Ma-OPUS-server2_TS3.pdb.gz looking for model 1 # Found a chain break before 88 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server2_TS3 # request to SCWRL produces command: ulimit -t 113 ; scwrl3 -i /var/tmp/to_scwrl_1689382713.pdb -s /var/tmp/to_scwrl_1689382713.seq -o /var/tmp/from_scwrl_1689382713.pdb > /var/tmp/scwrl_1689382713.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1689382713.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 69 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server2_TS4 # request to SCWRL produces command: ulimit -t 113 ; scwrl3 -i /var/tmp/to_scwrl_1559882758.pdb -s /var/tmp/to_scwrl_1559882758.seq -o /var/tmp/from_scwrl_1559882758.pdb > /var/tmp/scwrl_1559882758.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1559882758.pdb # conformation set from SCWRL output # naming current conformation Ma-OPUS-server2_TS4-scwrl # ReadConformPDB reading from PDB file servers/Ma-OPUS-server2_TS5.pdb.gz looking for model 1 # naming current conformation Ma-OPUS-server2_TS5 # request to SCWRL produces command: ulimit -t 113 ; scwrl3 -i /var/tmp/to_scwrl_926981494.pdb -s /var/tmp/to_scwrl_926981494.seq -o /var/tmp/from_scwrl_926981494.pdb > /var/tmp/scwrl_926981494.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_926981494.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 88 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS1 # request to SCWRL produces command: ulimit -t 113 ; scwrl3 -i /var/tmp/to_scwrl_1621061337.pdb -s /var/tmp/to_scwrl_1621061337.seq -o /var/tmp/from_scwrl_1621061337.pdb > /var/tmp/scwrl_1621061337.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1621061337.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 113 ; scwrl3 -i /var/tmp/to_scwrl_1093673582.pdb -s /var/tmp/to_scwrl_1093673582.seq -o /var/tmp/from_scwrl_1093673582.pdb > /var/tmp/scwrl_1093673582.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1093673582.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 88 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS3 # request to SCWRL produces command: ulimit -t 113 ; scwrl3 -i /var/tmp/to_scwrl_1555918508.pdb -s /var/tmp/to_scwrl_1555918508.seq -o /var/tmp/from_scwrl_1555918508.pdb > /var/tmp/scwrl_1555918508.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1555918508.pdb # conformation set from SCWRL output # naming current conformation Ma-OPUS-server_TS3-scwrl # ReadConformPDB reading from PDB file servers/Ma-OPUS-server_TS4.pdb.gz looking for model 1 # Found a chain break before 69 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS4 # request to SCWRL produces command: ulimit -t 113 ; scwrl3 -i /var/tmp/to_scwrl_1508594461.pdb -s /var/tmp/to_scwrl_1508594461.seq -o /var/tmp/from_scwrl_1508594461.pdb > /var/tmp/scwrl_1508594461.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1508594461.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 35 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS5 # request to SCWRL produces command: ulimit -t 113 ; scwrl3 -i /var/tmp/to_scwrl_1241167540.pdb -s /var/tmp/to_scwrl_1241167540.seq -o /var/tmp/from_scwrl_1241167540.pdb > /var/tmp/scwrl_1241167540.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1241167540.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 124 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS1 # request to SCWRL produces command: ulimit -t 113 ; scwrl3 -i /var/tmp/to_scwrl_1683830996.pdb -s /var/tmp/to_scwrl_1683830996.seq -o /var/tmp/from_scwrl_1683830996.pdb > /var/tmp/scwrl_1683830996.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1683830996.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 96 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS2 # request to SCWRL produces command: ulimit -t 113 ; scwrl3 -i /var/tmp/to_scwrl_899556349.pdb -s /var/tmp/to_scwrl_899556349.seq -o /var/tmp/from_scwrl_899556349.pdb > /var/tmp/scwrl_899556349.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_899556349.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 124 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS3 # request to SCWRL produces command: ulimit -t 113 ; scwrl3 -i /var/tmp/to_scwrl_1025808329.pdb -s /var/tmp/to_scwrl_1025808329.seq -o /var/tmp/from_scwrl_1025808329.pdb > /var/tmp/scwrl_1025808329.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1025808329.pdb # conformation set from SCWRL output # naming current conformation MetaTasser_TS3-scwrl # ReadConformPDB reading from PDB file servers/NN_PUT_lab_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0367 can't currently be optimized by undertaker # naming current conformation NN_PUT_lab_TS1 # request to SCWRL produces command: ulimit -t 113 ; scwrl3 -i /var/tmp/to_scwrl_93020349.pdb -s /var/tmp/to_scwrl_93020349.seq -o /var/tmp/from_scwrl_93020349.pdb > /var/tmp/scwrl_93020349.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_93020349.pdb # conformation set from SCWRL output # naming current conformation NN_PUT_lab_TS1-scwrl # ReadConformPDB reading from PDB file servers/POMYSL_TS1.pdb.gz looking for model 1 # Found a chain break before 120 # copying to AlignedFragments data structure # naming current conformation POMYSL_TS1 # request to SCWRL produces command: ulimit -t 113 ; scwrl3 -i /var/tmp/to_scwrl_105942722.pdb -s /var/tmp/to_scwrl_105942722.seq -o /var/tmp/from_scwrl_105942722.pdb > /var/tmp/scwrl_105942722.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_105942722.pdb # conformation set from SCWRL output # naming current conformation POMYSL_TS1-scwrl # ReadConformPDB reading from PDB file servers/POMYSL_TS2.pdb.gz looking for model 1 # Found a chain break before 113 # copying to AlignedFragments data structure # naming current conformation POMYSL_TS2 # request to SCWRL produces command: ulimit -t 113 ; scwrl3 -i /var/tmp/to_scwrl_3459575.pdb -s /var/tmp/to_scwrl_3459575.seq -o /var/tmp/from_scwrl_3459575.pdb > /var/tmp/scwrl_3459575.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_3459575.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 94 # copying to AlignedFragments data structure # naming current conformation POMYSL_TS3 # request to SCWRL produces command: ulimit -t 113 ; scwrl3 -i /var/tmp/to_scwrl_1003873225.pdb -s /var/tmp/to_scwrl_1003873225.seq -o /var/tmp/from_scwrl_1003873225.pdb > /var/tmp/scwrl_1003873225.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1003873225.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 96 # copying to AlignedFragments data structure # naming current conformation POMYSL_TS4 # request to SCWRL produces command: ulimit -t 113 ; scwrl3 -i /var/tmp/to_scwrl_697728357.pdb -s /var/tmp/to_scwrl_697728357.seq -o /var/tmp/from_scwrl_697728357.pdb > /var/tmp/scwrl_697728357.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_697728357.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 120 # copying to AlignedFragments data structure # naming current conformation POMYSL_TS5 # request to SCWRL produces command: ulimit -t 113 ; scwrl3 -i /var/tmp/to_scwrl_761681663.pdb -s /var/tmp/to_scwrl_761681663.seq -o /var/tmp/from_scwrl_761681663.pdb > /var/tmp/scwrl_761681663.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_761681663.pdb # conformation set from SCWRL output # naming current conformation POMYSL_TS5-scwrl # ReadConformPDB reading from PDB file servers/PROTINFO-AB_TS1.pdb.gz looking for model 1 # naming current conformation PROTINFO-AB_TS1 # request to SCWRL produces command: ulimit -t 113 ; scwrl3 -i /var/tmp/to_scwrl_1680158281.pdb -s /var/tmp/to_scwrl_1680158281.seq -o /var/tmp/from_scwrl_1680158281.pdb > /var/tmp/scwrl_1680158281.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1680158281.pdb # conformation set from SCWRL output # naming current conformation PROTINFO-AB_TS1-scwrl # ReadConformPDB reading from PDB file servers/PROTINFO-AB_TS2.pdb.gz looking for model 1 # naming current conformation PROTINFO-AB_TS2 # request to SCWRL produces command: ulimit -t 113 ; scwrl3 -i /var/tmp/to_scwrl_1540566790.pdb -s /var/tmp/to_scwrl_1540566790.seq -o /var/tmp/from_scwrl_1540566790.pdb > /var/tmp/scwrl_1540566790.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1540566790.pdb # conformation set from SCWRL output # naming current conformation PROTINFO-AB_TS2-scwrl # ReadConformPDB reading from PDB file servers/PROTINFO-AB_TS3.pdb.gz looking for model 1 # naming current conformation PROTINFO-AB_TS3 # request to SCWRL produces command: ulimit -t 113 ; scwrl3 -i /var/tmp/to_scwrl_1435725917.pdb -s /var/tmp/to_scwrl_1435725917.seq -o /var/tmp/from_scwrl_1435725917.pdb > /var/tmp/scwrl_1435725917.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1435725917.pdb # conformation set from SCWRL output # naming current conformation PROTINFO-AB_TS3-scwrl # ReadConformPDB reading from PDB file servers/PROTINFO-AB_TS4.pdb.gz looking for model 1 # naming current conformation PROTINFO-AB_TS4 # request to SCWRL produces command: ulimit -t 113 ; scwrl3 -i /var/tmp/to_scwrl_993382639.pdb -s /var/tmp/to_scwrl_993382639.seq -o /var/tmp/from_scwrl_993382639.pdb > /var/tmp/scwrl_993382639.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_993382639.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 113 ; scwrl3 -i /var/tmp/to_scwrl_1607602970.pdb -s /var/tmp/to_scwrl_1607602970.seq -o /var/tmp/from_scwrl_1607602970.pdb > /var/tmp/scwrl_1607602970.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1607602970.pdb # conformation set from SCWRL output # naming current conformation PROTINFO-AB_TS5-scwrl # ReadConformPDB reading from PDB file servers/PROTINFO_TS1.pdb.gz looking for model 1 # Found a chain break before 67 # copying to AlignedFragments data structure # naming current conformation PROTINFO_TS1 # request to SCWRL produces command: ulimit -t 113 ; scwrl3 -i /var/tmp/to_scwrl_1246720104.pdb -s /var/tmp/to_scwrl_1246720104.seq -o /var/tmp/from_scwrl_1246720104.pdb > /var/tmp/scwrl_1246720104.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1246720104.pdb # conformation set from SCWRL output # naming current conformation PROTINFO_TS1-scwrl # ReadConformPDB reading from PDB file servers/PROTINFO_TS2.pdb.gz looking for model 1 # Found a chain break before 88 # copying to AlignedFragments data structure # naming current conformation PROTINFO_TS2 # request to SCWRL produces command: ulimit -t 113 ; scwrl3 -i /var/tmp/to_scwrl_978063304.pdb -s /var/tmp/to_scwrl_978063304.seq -o /var/tmp/from_scwrl_978063304.pdb > /var/tmp/scwrl_978063304.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_978063304.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 60 # copying to AlignedFragments data structure # naming current conformation PROTINFO_TS3 # request to SCWRL produces command: ulimit -t 113 ; scwrl3 -i /var/tmp/to_scwrl_715340997.pdb -s /var/tmp/to_scwrl_715340997.seq -o /var/tmp/from_scwrl_715340997.pdb > /var/tmp/scwrl_715340997.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_715340997.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 30 # copying to AlignedFragments data structure # naming current conformation PROTINFO_TS4 # request to SCWRL produces command: ulimit -t 113 ; scwrl3 -i /var/tmp/to_scwrl_1089768375.pdb -s /var/tmp/to_scwrl_1089768375.seq -o /var/tmp/from_scwrl_1089768375.pdb > /var/tmp/scwrl_1089768375.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1089768375.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 30 # copying to AlignedFragments data structure # naming current conformation PROTINFO_TS5 # request to SCWRL produces command: ulimit -t 113 ; scwrl3 -i /var/tmp/to_scwrl_167924275.pdb -s /var/tmp/to_scwrl_167924275.seq -o /var/tmp/from_scwrl_167924275.pdb > /var/tmp/scwrl_167924275.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_167924275.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 T0367 can't currently be optimized by undertaker # naming current conformation Pcons6_TS1 # request to SCWRL produces command: ulimit -t 113 ; scwrl3 -i /var/tmp/to_scwrl_1529954842.pdb -s /var/tmp/to_scwrl_1529954842.seq -o /var/tmp/from_scwrl_1529954842.pdb > /var/tmp/scwrl_1529954842.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1529954842.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 T0367 can't currently be optimized by undertaker # naming current conformation Pcons6_TS2 # request to SCWRL produces command: ulimit -t 113 ; scwrl3 -i /var/tmp/to_scwrl_723996239.pdb -s /var/tmp/to_scwrl_723996239.seq -o /var/tmp/from_scwrl_723996239.pdb > /var/tmp/scwrl_723996239.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_723996239.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 T0367 can't currently be optimized by undertaker # naming current conformation Pcons6_TS3 # request to SCWRL produces command: ulimit -t 113 ; scwrl3 -i /var/tmp/to_scwrl_1931116826.pdb -s /var/tmp/to_scwrl_1931116826.seq -o /var/tmp/from_scwrl_1931116826.pdb > /var/tmp/scwrl_1931116826.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1931116826.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 T0367 can't currently be optimized by undertaker # naming current conformation Pcons6_TS4 # request to SCWRL produces command: ulimit -t 113 ; scwrl3 -i /var/tmp/to_scwrl_1560569036.pdb -s /var/tmp/to_scwrl_1560569036.seq -o /var/tmp/from_scwrl_1560569036.pdb > /var/tmp/scwrl_1560569036.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1560569036.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 T0367 can't currently be optimized by undertaker # naming current conformation Pcons6_TS5 # request to SCWRL produces command: ulimit -t 113 ; scwrl3 -i /var/tmp/to_scwrl_265895306.pdb -s /var/tmp/to_scwrl_265895306.seq -o /var/tmp/from_scwrl_265895306.pdb > /var/tmp/scwrl_265895306.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_265895306.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 T0367 can't currently be optimized by undertaker # naming current conformation Phyre-1_TS1 # request to SCWRL produces command: ulimit -t 113 ; scwrl3 -i /var/tmp/to_scwrl_1343515937.pdb -s /var/tmp/to_scwrl_1343515937.seq -o /var/tmp/from_scwrl_1343515937.pdb > /var/tmp/scwrl_1343515937.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1343515937.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 121 # copying to AlignedFragments data structure # naming current conformation Phyre-2_TS1 # request to SCWRL produces command: ulimit -t 113 ; scwrl3 -i /var/tmp/to_scwrl_340066883.pdb -s /var/tmp/to_scwrl_340066883.seq -o /var/tmp/from_scwrl_340066883.pdb > /var/tmp/scwrl_340066883.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_340066883.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 93 # copying to AlignedFragments data structure # naming current conformation Phyre-2_TS2 # request to SCWRL produces command: ulimit -t 113 ; scwrl3 -i /var/tmp/to_scwrl_1886956643.pdb -s /var/tmp/to_scwrl_1886956643.seq -o /var/tmp/from_scwrl_1886956643.pdb > /var/tmp/scwrl_1886956643.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1886956643.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 122 # copying to AlignedFragments data structure # naming current conformation Phyre-2_TS3 # request to SCWRL produces command: ulimit -t 113 ; scwrl3 -i /var/tmp/to_scwrl_289705874.pdb -s /var/tmp/to_scwrl_289705874.seq -o /var/tmp/from_scwrl_289705874.pdb > /var/tmp/scwrl_289705874.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_289705874.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 121 # copying to AlignedFragments data structure # naming current conformation Phyre-2_TS4 # request to SCWRL produces command: ulimit -t 113 ; scwrl3 -i /var/tmp/to_scwrl_1895985391.pdb -s /var/tmp/to_scwrl_1895985391.seq -o /var/tmp/from_scwrl_1895985391.pdb > /var/tmp/scwrl_1895985391.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1895985391.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 T0367 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 113 ; scwrl3 -i /var/tmp/to_scwrl_1248067457.pdb -s /var/tmp/to_scwrl_1248067457.seq -o /var/tmp/from_scwrl_1248067457.pdb > /var/tmp/scwrl_1248067457.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1248067457.pdb # conformation set from SCWRL output # naming current conformation Phyre-2_TS5-scwrl # ReadConformPDB reading from PDB file servers/Pmodeller6_TS1.pdb.gz looking for model 1 # Found a chain break before 85 # copying to AlignedFragments data structure # naming current conformation Pmodeller6_TS1 # request to SCWRL produces command: ulimit -t 113 ; scwrl3 -i /var/tmp/to_scwrl_1530873414.pdb -s /var/tmp/to_scwrl_1530873414.seq -o /var/tmp/from_scwrl_1530873414.pdb > /var/tmp/scwrl_1530873414.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1530873414.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 94 # copying to AlignedFragments data structure # naming current conformation Pmodeller6_TS2 # request to SCWRL produces command: ulimit -t 113 ; scwrl3 -i /var/tmp/to_scwrl_1432332741.pdb -s /var/tmp/to_scwrl_1432332741.seq -o /var/tmp/from_scwrl_1432332741.pdb > /var/tmp/scwrl_1432332741.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1432332741.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 89 # copying to AlignedFragments data structure # naming current conformation Pmodeller6_TS3 # request to SCWRL produces command: ulimit -t 113 ; scwrl3 -i /var/tmp/to_scwrl_140159.pdb -s /var/tmp/to_scwrl_140159.seq -o /var/tmp/from_scwrl_140159.pdb > /var/tmp/scwrl_140159.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_140159.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 # Found a chain break before 85 # copying to AlignedFragments data structure # naming current conformation Pmodeller6_TS4 # request to SCWRL produces command: ulimit -t 113 ; scwrl3 -i /var/tmp/to_scwrl_409198097.pdb -s /var/tmp/to_scwrl_409198097.seq -o /var/tmp/from_scwrl_409198097.pdb > /var/tmp/scwrl_409198097.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_409198097.pdb # conformation set from SCWRL output # naming current conformation Pmodeller6_TS4-scwrl # ReadConformPDB reading from PDB file servers/Pmodeller6_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0367 can't currently be optimized by undertaker # naming current conformation Pmodeller6_TS5 # request to SCWRL produces command: ulimit -t 113 ; scwrl3 -i /var/tmp/to_scwrl_1525353090.pdb -s /var/tmp/to_scwrl_1525353090.seq -o /var/tmp/from_scwrl_1525353090.pdb > /var/tmp/scwrl_1525353090.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1525353090.pdb # conformation set from SCWRL output # naming current conformation Pmodeller6_TS5-scwrl # ReadConformPDB reading from PDB file servers/RAPTOR-ACE_TS1.pdb.gz looking for model 1 # naming current conformation RAPTOR-ACE_TS1 # request to SCWRL produces command: ulimit -t 113 ; scwrl3 -i /var/tmp/to_scwrl_106082881.pdb -s /var/tmp/to_scwrl_106082881.seq -o /var/tmp/from_scwrl_106082881.pdb > /var/tmp/scwrl_106082881.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_106082881.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 92 # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS2 # request to SCWRL produces command: ulimit -t 113 ; scwrl3 -i /var/tmp/to_scwrl_412657672.pdb -s /var/tmp/to_scwrl_412657672.seq -o /var/tmp/from_scwrl_412657672.pdb > /var/tmp/scwrl_412657672.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_412657672.pdb # conformation set from SCWRL output # naming current conformation RAPTOR-ACE_TS2-scwrl # ReadConformPDB reading from PDB file servers/RAPTOR-ACE_TS3.pdb.gz looking for model 1 # Found a chain break before 58 # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS3 # request to SCWRL produces command: ulimit -t 113 ; scwrl3 -i /var/tmp/to_scwrl_381742668.pdb -s /var/tmp/to_scwrl_381742668.seq -o /var/tmp/from_scwrl_381742668.pdb > /var/tmp/scwrl_381742668.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_381742668.pdb # conformation set from SCWRL output # naming current conformation RAPTOR-ACE_TS3-scwrl # ReadConformPDB reading from PDB file servers/RAPTOR-ACE_TS4.pdb.gz looking for model 1 # naming current conformation RAPTOR-ACE_TS4 # request to SCWRL produces command: ulimit -t 113 ; scwrl3 -i /var/tmp/to_scwrl_803811238.pdb -s /var/tmp/to_scwrl_803811238.seq -o /var/tmp/from_scwrl_803811238.pdb > /var/tmp/scwrl_803811238.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_803811238.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 94 # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS5 # request to SCWRL produces command: ulimit -t 113 ; scwrl3 -i /var/tmp/to_scwrl_1174339334.pdb -s /var/tmp/to_scwrl_1174339334.seq -o /var/tmp/from_scwrl_1174339334.pdb > /var/tmp/scwrl_1174339334.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1174339334.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 123 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS1 # request to SCWRL produces command: ulimit -t 113 ; scwrl3 -i /var/tmp/to_scwrl_2061900950.pdb -s /var/tmp/to_scwrl_2061900950.seq -o /var/tmp/from_scwrl_2061900950.pdb > /var/tmp/scwrl_2061900950.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2061900950.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 123 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS2 # request to SCWRL produces command: ulimit -t 113 ; scwrl3 -i /var/tmp/to_scwrl_196894381.pdb -s /var/tmp/to_scwrl_196894381.seq -o /var/tmp/from_scwrl_196894381.pdb > /var/tmp/scwrl_196894381.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_196894381.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 123 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS3 # request to SCWRL produces command: ulimit -t 113 ; scwrl3 -i /var/tmp/to_scwrl_462581605.pdb -s /var/tmp/to_scwrl_462581605.seq -o /var/tmp/from_scwrl_462581605.pdb > /var/tmp/scwrl_462581605.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_462581605.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 123 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS4 # request to SCWRL produces command: ulimit -t 113 ; scwrl3 -i /var/tmp/to_scwrl_907799942.pdb -s /var/tmp/to_scwrl_907799942.seq -o /var/tmp/from_scwrl_907799942.pdb > /var/tmp/scwrl_907799942.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_907799942.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 123 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS5 # request to SCWRL produces command: ulimit -t 113 ; scwrl3 -i /var/tmp/to_scwrl_1804497352.pdb -s /var/tmp/to_scwrl_1804497352.seq -o /var/tmp/from_scwrl_1804497352.pdb > /var/tmp/scwrl_1804497352.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1804497352.pdb # conformation set from SCWRL output # naming current conformation RAPTORESS_TS5-scwrl # ReadConformPDB reading from PDB file servers/RAPTOR_TS1.pdb.gz looking for model 1 # Found a chain break before 96 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS1 # request to SCWRL produces command: ulimit -t 113 ; scwrl3 -i /var/tmp/to_scwrl_1709301709.pdb -s /var/tmp/to_scwrl_1709301709.seq -o /var/tmp/from_scwrl_1709301709.pdb > /var/tmp/scwrl_1709301709.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1709301709.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 113 ; scwrl3 -i /var/tmp/to_scwrl_1885863245.pdb -s /var/tmp/to_scwrl_1885863245.seq -o /var/tmp/from_scwrl_1885863245.pdb > /var/tmp/scwrl_1885863245.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1885863245.pdb # conformation set from SCWRL output # naming current conformation RAPTOR_TS2-scwrl # ReadConformPDB reading from PDB file servers/RAPTOR_TS3.pdb.gz looking for model 1 # naming current conformation RAPTOR_TS3 # request to SCWRL produces command: ulimit -t 113 ; scwrl3 -i /var/tmp/to_scwrl_372354702.pdb -s /var/tmp/to_scwrl_372354702.seq -o /var/tmp/from_scwrl_372354702.pdb > /var/tmp/scwrl_372354702.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_372354702.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 113 ; scwrl3 -i /var/tmp/to_scwrl_651586439.pdb -s /var/tmp/to_scwrl_651586439.seq -o /var/tmp/from_scwrl_651586439.pdb > /var/tmp/scwrl_651586439.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_651586439.pdb # conformation set from SCWRL output # naming current conformation RAPTOR_TS4-scwrl # ReadConformPDB reading from PDB file servers/RAPTOR_TS5.pdb.gz looking for model 1 # naming current conformation RAPTOR_TS5 # request to SCWRL produces command: ulimit -t 113 ; scwrl3 -i /var/tmp/to_scwrl_2053787520.pdb -s /var/tmp/to_scwrl_2053787520.seq -o /var/tmp/from_scwrl_2053787520.pdb > /var/tmp/scwrl_2053787520.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2053787520.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 85 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS1 # request to SCWRL produces command: ulimit -t 113 ; scwrl3 -i /var/tmp/to_scwrl_1902309544.pdb -s /var/tmp/to_scwrl_1902309544.seq -o /var/tmp/from_scwrl_1902309544.pdb > /var/tmp/scwrl_1902309544.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1902309544.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 94 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS2 # request to SCWRL produces command: ulimit -t 113 ; scwrl3 -i /var/tmp/to_scwrl_1375582677.pdb -s /var/tmp/to_scwrl_1375582677.seq -o /var/tmp/from_scwrl_1375582677.pdb > /var/tmp/scwrl_1375582677.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1375582677.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 89 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS3 # request to SCWRL produces command: ulimit -t 113 ; scwrl3 -i /var/tmp/to_scwrl_1837420699.pdb -s /var/tmp/to_scwrl_1837420699.seq -o /var/tmp/from_scwrl_1837420699.pdb > /var/tmp/scwrl_1837420699.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1837420699.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 89 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS4 # request to SCWRL produces command: ulimit -t 113 ; scwrl3 -i /var/tmp/to_scwrl_1315394933.pdb -s /var/tmp/to_scwrl_1315394933.seq -o /var/tmp/from_scwrl_1315394933.pdb > /var/tmp/scwrl_1315394933.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1315394933.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 85 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS5 # request to SCWRL produces command: ulimit -t 113 ; scwrl3 -i /var/tmp/to_scwrl_1641477983.pdb -s /var/tmp/to_scwrl_1641477983.seq -o /var/tmp/from_scwrl_1641477983.pdb > /var/tmp/scwrl_1641477983.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1641477983.pdb # conformation set from SCWRL output # naming current conformation ROBETTA_TS5-scwrl # ReadConformPDB reading from PDB file servers/ROKKY_TS1.pdb.gz looking for model 1 # Found a chain break before 89 # copying to AlignedFragments data structure # naming current conformation ROKKY_TS1 # request to SCWRL produces command: ulimit -t 113 ; scwrl3 -i /var/tmp/to_scwrl_1033452991.pdb -s /var/tmp/to_scwrl_1033452991.seq -o /var/tmp/from_scwrl_1033452991.pdb > /var/tmp/scwrl_1033452991.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1033452991.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 # naming current conformation ROKKY_TS2 # request to SCWRL produces command: ulimit -t 113 ; scwrl3 -i /var/tmp/to_scwrl_1655461817.pdb -s /var/tmp/to_scwrl_1655461817.seq -o /var/tmp/from_scwrl_1655461817.pdb > /var/tmp/scwrl_1655461817.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1655461817.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 # naming current conformation ROKKY_TS3 # request to SCWRL produces command: ulimit -t 113 ; scwrl3 -i /var/tmp/to_scwrl_1380950980.pdb -s /var/tmp/to_scwrl_1380950980.seq -o /var/tmp/from_scwrl_1380950980.pdb > /var/tmp/scwrl_1380950980.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1380950980.pdb # conformation set from SCWRL output # naming current conformation ROKKY_TS3-scwrl # ReadConformPDB reading from PDB file servers/SAM-T02_AL1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0367 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL1 # request to SCWRL produces command: ulimit -t 113 ; scwrl3 -i /var/tmp/to_scwrl_1323158864.pdb -s /var/tmp/to_scwrl_1323158864.seq -o /var/tmp/from_scwrl_1323158864.pdb > /var/tmp/scwrl_1323158864.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1323158864.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 T0367 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL2 # request to SCWRL produces command: ulimit -t 113 ; scwrl3 -i /var/tmp/to_scwrl_1403963561.pdb -s /var/tmp/to_scwrl_1403963561.seq -o /var/tmp/from_scwrl_1403963561.pdb > /var/tmp/scwrl_1403963561.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1403963561.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 T0367 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL3 # request to SCWRL produces command: ulimit -t 113 ; scwrl3 -i /var/tmp/to_scwrl_481534791.pdb -s /var/tmp/to_scwrl_481534791.seq -o /var/tmp/from_scwrl_481534791.pdb > /var/tmp/scwrl_481534791.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_481534791.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 T0367 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL4 # request to SCWRL produces command: ulimit -t 113 ; scwrl3 -i /var/tmp/to_scwrl_706548632.pdb -s /var/tmp/to_scwrl_706548632.seq -o /var/tmp/from_scwrl_706548632.pdb > /var/tmp/scwrl_706548632.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_706548632.pdb # conformation set from SCWRL output # naming current conformation SAM-T02_AL4-scwrl # ReadConformPDB reading from PDB file servers/SAM-T02_AL5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0367 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL5 # request to SCWRL produces command: ulimit -t 113 ; scwrl3 -i /var/tmp/to_scwrl_688812656.pdb -s /var/tmp/to_scwrl_688812656.seq -o /var/tmp/from_scwrl_688812656.pdb > /var/tmp/scwrl_688812656.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_688812656.pdb # conformation set from SCWRL output # naming current conformation SAM-T02_AL5-scwrl # ReadConformPDB reading from PDB file servers/SAM-T99_AL1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0367 can't currently be optimized by undertaker # naming current conformation SAM-T99_AL1 # request to SCWRL produces command: ulimit -t 113 ; scwrl3 -i /var/tmp/to_scwrl_481674951.pdb -s /var/tmp/to_scwrl_481674951.seq -o /var/tmp/from_scwrl_481674951.pdb > /var/tmp/scwrl_481674951.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_481674951.pdb # conformation set from SCWRL output # naming current conformation SAM-T99_AL1-scwrl # ReadConformPDB reading from PDB file servers/SAM-T99_AL2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0367 can't currently be optimized by undertaker # naming current conformation SAM-T99_AL2 # request to SCWRL produces command: ulimit -t 113 ; scwrl3 -i /var/tmp/to_scwrl_1115746728.pdb -s /var/tmp/to_scwrl_1115746728.seq -o /var/tmp/from_scwrl_1115746728.pdb > /var/tmp/scwrl_1115746728.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1115746728.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 T0367 can't currently be optimized by undertaker # naming current conformation SAM-T99_AL3 # request to SCWRL produces command: ulimit -t 113 ; scwrl3 -i /var/tmp/to_scwrl_66682100.pdb -s /var/tmp/to_scwrl_66682100.seq -o /var/tmp/from_scwrl_66682100.pdb > /var/tmp/scwrl_66682100.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_66682100.pdb # conformation set from SCWRL output # naming current conformation SAM-T99_AL3-scwrl # ReadConformPDB reading from PDB file servers/SAM-T99_AL4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0367 can't currently be optimized by undertaker # naming current conformation SAM-T99_AL4 # request to SCWRL produces command: ulimit -t 113 ; scwrl3 -i /var/tmp/to_scwrl_587757832.pdb -s /var/tmp/to_scwrl_587757832.seq -o /var/tmp/from_scwrl_587757832.pdb > /var/tmp/scwrl_587757832.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_587757832.pdb # conformation set from SCWRL output # naming current conformation SAM-T99_AL4-scwrl # ReadConformPDB reading from PDB file servers/SAM-T99_AL5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0367 can't currently be optimized by undertaker # naming current conformation SAM-T99_AL5 # request to SCWRL produces command: ulimit -t 113 ; scwrl3 -i /var/tmp/to_scwrl_1528404401.pdb -s /var/tmp/to_scwrl_1528404401.seq -o /var/tmp/from_scwrl_1528404401.pdb > /var/tmp/scwrl_1528404401.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1528404401.pdb # conformation set from SCWRL output # naming current conformation SAM-T99_AL5-scwrl # ReadConformPDB reading from PDB file servers/SAM_T06_server_TS1.pdb.gz looking for model 1 # Found a chain break before 109 # copying to AlignedFragments data structure # naming current conformation SAM_T06_server_TS1 # request to SCWRL produces command: ulimit -t 113 ; scwrl3 -i /var/tmp/to_scwrl_448424768.pdb -s /var/tmp/to_scwrl_448424768.seq -o /var/tmp/from_scwrl_448424768.pdb > /var/tmp/scwrl_448424768.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_448424768.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 T0367 can't currently be optimized by undertaker # naming current conformation SAM_T06_server_TS2 # request to SCWRL produces command: ulimit -t 113 ; scwrl3 -i /var/tmp/to_scwrl_1391569070.pdb -s /var/tmp/to_scwrl_1391569070.seq -o /var/tmp/from_scwrl_1391569070.pdb > /var/tmp/scwrl_1391569070.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1391569070.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 T0367 can't currently be optimized by undertaker # naming current conformation SAM_T06_server_TS3 # request to SCWRL produces command: ulimit -t 113 ; scwrl3 -i /var/tmp/to_scwrl_555260089.pdb -s /var/tmp/to_scwrl_555260089.seq -o /var/tmp/from_scwrl_555260089.pdb > /var/tmp/scwrl_555260089.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_555260089.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 T0367 can't currently be optimized by undertaker # naming current conformation SAM_T06_server_TS4 # request to SCWRL produces command: ulimit -t 113 ; scwrl3 -i /var/tmp/to_scwrl_362842071.pdb -s /var/tmp/to_scwrl_362842071.seq -o /var/tmp/from_scwrl_362842071.pdb > /var/tmp/scwrl_362842071.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_362842071.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 T0367 can't currently be optimized by undertaker # naming current conformation SAM_T06_server_TS5 # request to SCWRL produces command: ulimit -t 113 ; scwrl3 -i /var/tmp/to_scwrl_1588463451.pdb -s /var/tmp/to_scwrl_1588463451.seq -o /var/tmp/from_scwrl_1588463451.pdb > /var/tmp/scwrl_1588463451.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1588463451.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 94 # copying to AlignedFragments data structure # naming current conformation SP3_TS1 # request to SCWRL produces command: ulimit -t 113 ; scwrl3 -i /var/tmp/to_scwrl_1017841695.pdb -s /var/tmp/to_scwrl_1017841695.seq -o /var/tmp/from_scwrl_1017841695.pdb > /var/tmp/scwrl_1017841695.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1017841695.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 58 # copying to AlignedFragments data structure # naming current conformation SP3_TS2 # request to SCWRL produces command: ulimit -t 113 ; scwrl3 -i /var/tmp/to_scwrl_1270642012.pdb -s /var/tmp/to_scwrl_1270642012.seq -o /var/tmp/from_scwrl_1270642012.pdb > /var/tmp/scwrl_1270642012.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1270642012.pdb # conformation set from SCWRL output # naming current conformation SP3_TS2-scwrl # ReadConformPDB reading from PDB file servers/SP3_TS3.pdb.gz looking for model 1 # naming current conformation SP3_TS3 # request to SCWRL produces command: ulimit -t 113 ; scwrl3 -i /var/tmp/to_scwrl_1245477156.pdb -s /var/tmp/to_scwrl_1245477156.seq -o /var/tmp/from_scwrl_1245477156.pdb > /var/tmp/scwrl_1245477156.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1245477156.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 81 # copying to AlignedFragments data structure # naming current conformation SP3_TS4 # request to SCWRL produces command: ulimit -t 113 ; scwrl3 -i /var/tmp/to_scwrl_579659757.pdb -s /var/tmp/to_scwrl_579659757.seq -o /var/tmp/from_scwrl_579659757.pdb > /var/tmp/scwrl_579659757.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_579659757.pdb # conformation set from SCWRL output # naming current conformation SP3_TS4-scwrl # ReadConformPDB reading from PDB file servers/SP3_TS5.pdb.gz looking for model 1 # Found a chain break before 82 # copying to AlignedFragments data structure # naming current conformation SP3_TS5 # request to SCWRL produces command: ulimit -t 113 ; scwrl3 -i /var/tmp/to_scwrl_1009021611.pdb -s /var/tmp/to_scwrl_1009021611.seq -o /var/tmp/from_scwrl_1009021611.pdb > /var/tmp/scwrl_1009021611.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1009021611.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 91 # copying to AlignedFragments data structure # naming current conformation SP4_TS1 # request to SCWRL produces command: ulimit -t 113 ; scwrl3 -i /var/tmp/to_scwrl_1617831858.pdb -s /var/tmp/to_scwrl_1617831858.seq -o /var/tmp/from_scwrl_1617831858.pdb > /var/tmp/scwrl_1617831858.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1617831858.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 113 ; scwrl3 -i /var/tmp/to_scwrl_1231246195.pdb -s /var/tmp/to_scwrl_1231246195.seq -o /var/tmp/from_scwrl_1231246195.pdb > /var/tmp/scwrl_1231246195.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1231246195.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 113 ; scwrl3 -i /var/tmp/to_scwrl_915325484.pdb -s /var/tmp/to_scwrl_915325484.seq -o /var/tmp/from_scwrl_915325484.pdb > /var/tmp/scwrl_915325484.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_915325484.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 59 # copying to AlignedFragments data structure # naming current conformation SP4_TS4 # request to SCWRL produces command: ulimit -t 113 ; scwrl3 -i /var/tmp/to_scwrl_1372657756.pdb -s /var/tmp/to_scwrl_1372657756.seq -o /var/tmp/from_scwrl_1372657756.pdb > /var/tmp/scwrl_1372657756.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1372657756.pdb # conformation set from SCWRL output # naming current conformation SP4_TS4-scwrl # ReadConformPDB reading from PDB file servers/SP4_TS5.pdb.gz looking for model 1 # naming current conformation SP4_TS5 # request to SCWRL produces command: ulimit -t 113 ; scwrl3 -i /var/tmp/to_scwrl_459345227.pdb -s /var/tmp/to_scwrl_459345227.seq -o /var/tmp/from_scwrl_459345227.pdb > /var/tmp/scwrl_459345227.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_459345227.pdb # conformation set from SCWRL output # naming current conformation SP4_TS5-scwrl # ReadConformPDB reading from PDB file servers/SPARKS2_TS1.pdb.gz looking for model 1 # naming current conformation SPARKS2_TS1 # request to SCWRL produces command: ulimit -t 113 ; scwrl3 -i /var/tmp/to_scwrl_605262537.pdb -s /var/tmp/to_scwrl_605262537.seq -o /var/tmp/from_scwrl_605262537.pdb > /var/tmp/scwrl_605262537.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_605262537.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 95 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS2 # request to SCWRL produces command: ulimit -t 113 ; scwrl3 -i /var/tmp/to_scwrl_540569043.pdb -s /var/tmp/to_scwrl_540569043.seq -o /var/tmp/from_scwrl_540569043.pdb > /var/tmp/scwrl_540569043.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_540569043.pdb # conformation set from SCWRL output # naming current conformation SPARKS2_TS2-scwrl # ReadConformPDB reading from PDB file servers/SPARKS2_TS3.pdb.gz looking for model 1 # Found a chain break before 60 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS3 # request to SCWRL produces command: ulimit -t 113 ; scwrl3 -i /var/tmp/to_scwrl_2100823210.pdb -s /var/tmp/to_scwrl_2100823210.seq -o /var/tmp/from_scwrl_2100823210.pdb > /var/tmp/scwrl_2100823210.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2100823210.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 92 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS4 # request to SCWRL produces command: ulimit -t 113 ; scwrl3 -i /var/tmp/to_scwrl_1638715527.pdb -s /var/tmp/to_scwrl_1638715527.seq -o /var/tmp/from_scwrl_1638715527.pdb > /var/tmp/scwrl_1638715527.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1638715527.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 # naming current conformation SPARKS2_TS5 # request to SCWRL produces command: ulimit -t 113 ; scwrl3 -i /var/tmp/to_scwrl_48547213.pdb -s /var/tmp/to_scwrl_48547213.seq -o /var/tmp/from_scwrl_48547213.pdb > /var/tmp/scwrl_48547213.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_48547213.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 T0367 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS1 # request to SCWRL produces command: ulimit -t 113 ; scwrl3 -i /var/tmp/to_scwrl_1334290543.pdb -s /var/tmp/to_scwrl_1334290543.seq -o /var/tmp/from_scwrl_1334290543.pdb > /var/tmp/scwrl_1334290543.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1334290543.pdb # conformation set from SCWRL output # naming current conformation UNI-EID_bnmx_TS1-scwrl # ReadConformPDB reading from PDB file servers/UNI-EID_bnmx_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0367 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS2 # request to SCWRL produces command: ulimit -t 113 ; scwrl3 -i /var/tmp/to_scwrl_814390745.pdb -s /var/tmp/to_scwrl_814390745.seq -o /var/tmp/from_scwrl_814390745.pdb > /var/tmp/scwrl_814390745.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_814390745.pdb # conformation set from SCWRL output # naming current conformation UNI-EID_bnmx_TS2-scwrl # ReadConformPDB reading from PDB file servers/UNI-EID_bnmx_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0367 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS3 # request to SCWRL produces command: ulimit -t 113 ; scwrl3 -i /var/tmp/to_scwrl_1452510775.pdb -s /var/tmp/to_scwrl_1452510775.seq -o /var/tmp/from_scwrl_1452510775.pdb > /var/tmp/scwrl_1452510775.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1452510775.pdb # conformation set from SCWRL output # naming current conformation UNI-EID_bnmx_TS3-scwrl # ReadConformPDB reading from PDB file servers/UNI-EID_expm_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0367 can't currently be optimized by undertaker # naming current conformation UNI-EID_expm_TS1 # request to SCWRL produces command: ulimit -t 113 ; scwrl3 -i /var/tmp/to_scwrl_1815825335.pdb -s /var/tmp/to_scwrl_1815825335.seq -o /var/tmp/from_scwrl_1815825335.pdb > /var/tmp/scwrl_1815825335.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1815825335.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 T0367 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL1 # request to SCWRL produces command: ulimit -t 113 ; scwrl3 -i /var/tmp/to_scwrl_1520939376.pdb -s /var/tmp/to_scwrl_1520939376.seq -o /var/tmp/from_scwrl_1520939376.pdb > /var/tmp/scwrl_1520939376.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1520939376.pdb # conformation set from SCWRL output # naming current conformation UNI-EID_sfst_AL1-scwrl # ReadConformPDB reading from PDB file servers/UNI-EID_sfst_AL2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0367 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL2 # request to SCWRL produces command: ulimit -t 113 ; scwrl3 -i /var/tmp/to_scwrl_2141323431.pdb -s /var/tmp/to_scwrl_2141323431.seq -o /var/tmp/from_scwrl_2141323431.pdb > /var/tmp/scwrl_2141323431.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2141323431.pdb # conformation set from SCWRL output # naming current conformation UNI-EID_sfst_AL2-scwrl # ReadConformPDB reading from PDB file servers/UNI-EID_sfst_AL3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0367 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL3 # request to SCWRL produces command: ulimit -t 113 ; scwrl3 -i /var/tmp/to_scwrl_150016639.pdb -s /var/tmp/to_scwrl_150016639.seq -o /var/tmp/from_scwrl_150016639.pdb > /var/tmp/scwrl_150016639.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_150016639.pdb # conformation set from SCWRL output # naming current conformation UNI-EID_sfst_AL3-scwrl # ReadConformPDB reading from PDB file servers/Zhang-Server_TS1.pdb.gz looking for model 1 # Found a chain break before 96 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS1 # request to SCWRL produces command: ulimit -t 113 ; scwrl3 -i /var/tmp/to_scwrl_489202459.pdb -s /var/tmp/to_scwrl_489202459.seq -o /var/tmp/from_scwrl_489202459.pdb > /var/tmp/scwrl_489202459.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_489202459.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 91 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS2 # request to SCWRL produces command: ulimit -t 113 ; scwrl3 -i /var/tmp/to_scwrl_60521884.pdb -s /var/tmp/to_scwrl_60521884.seq -o /var/tmp/from_scwrl_60521884.pdb > /var/tmp/scwrl_60521884.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_60521884.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 68 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS3 # request to SCWRL produces command: ulimit -t 113 ; scwrl3 -i /var/tmp/to_scwrl_737774471.pdb -s /var/tmp/to_scwrl_737774471.seq -o /var/tmp/from_scwrl_737774471.pdb > /var/tmp/scwrl_737774471.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_737774471.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 88 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS4 # request to SCWRL produces command: ulimit -t 113 ; scwrl3 -i /var/tmp/to_scwrl_2017606860.pdb -s /var/tmp/to_scwrl_2017606860.seq -o /var/tmp/from_scwrl_2017606860.pdb > /var/tmp/scwrl_2017606860.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2017606860.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 86 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS5 # request to SCWRL produces command: ulimit -t 113 ; scwrl3 -i /var/tmp/to_scwrl_508946653.pdb -s /var/tmp/to_scwrl_508946653.seq -o /var/tmp/from_scwrl_508946653.pdb > /var/tmp/scwrl_508946653.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_508946653.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 121 # copying to AlignedFragments data structure # naming current conformation beautshot_TS1 # request to SCWRL produces command: ulimit -t 113 ; scwrl3 -i /var/tmp/to_scwrl_2129343541.pdb -s /var/tmp/to_scwrl_2129343541.seq -o /var/tmp/from_scwrl_2129343541.pdb > /var/tmp/scwrl_2129343541.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2129343541.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 T0367 can't currently be optimized by undertaker # naming current conformation beautshotbase_TS1 # request to SCWRL produces command: ulimit -t 113 ; scwrl3 -i /var/tmp/to_scwrl_425383302.pdb -s /var/tmp/to_scwrl_425383302.seq -o /var/tmp/from_scwrl_425383302.pdb > /var/tmp/scwrl_425383302.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_425383302.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 T0367 can't currently be optimized by undertaker # naming current conformation forecast-s_AL1 # request to SCWRL produces command: ulimit -t 113 ; scwrl3 -i /var/tmp/to_scwrl_871788724.pdb -s /var/tmp/to_scwrl_871788724.seq -o /var/tmp/from_scwrl_871788724.pdb > /var/tmp/scwrl_871788724.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_871788724.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 T0367 can't currently be optimized by undertaker # naming current conformation forecast-s_AL2 # request to SCWRL produces command: ulimit -t 113 ; scwrl3 -i /var/tmp/to_scwrl_1570323346.pdb -s /var/tmp/to_scwrl_1570323346.seq -o /var/tmp/from_scwrl_1570323346.pdb > /var/tmp/scwrl_1570323346.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1570323346.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 T0367 can't currently be optimized by undertaker # naming current conformation forecast-s_AL3 # request to SCWRL produces command: ulimit -t 113 ; scwrl3 -i /var/tmp/to_scwrl_1443224996.pdb -s /var/tmp/to_scwrl_1443224996.seq -o /var/tmp/from_scwrl_1443224996.pdb > /var/tmp/scwrl_1443224996.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1443224996.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 T0367 can't currently be optimized by undertaker # naming current conformation forecast-s_AL4 # request to SCWRL produces command: ulimit -t 113 ; scwrl3 -i /var/tmp/to_scwrl_2142430737.pdb -s /var/tmp/to_scwrl_2142430737.seq -o /var/tmp/from_scwrl_2142430737.pdb > /var/tmp/scwrl_2142430737.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2142430737.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 T0367 can't currently be optimized by undertaker # naming current conformation forecast-s_AL5 # request to SCWRL produces command: ulimit -t 113 ; scwrl3 -i /var/tmp/to_scwrl_668316856.pdb -s /var/tmp/to_scwrl_668316856.seq -o /var/tmp/from_scwrl_668316856.pdb > /var/tmp/scwrl_668316856.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_668316856.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 42 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS1 # request to SCWRL produces command: ulimit -t 113 ; scwrl3 -i /var/tmp/to_scwrl_2022884754.pdb -s /var/tmp/to_scwrl_2022884754.seq -o /var/tmp/from_scwrl_2022884754.pdb > /var/tmp/scwrl_2022884754.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2022884754.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 79 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS2 # request to SCWRL produces command: ulimit -t 113 ; scwrl3 -i /var/tmp/to_scwrl_1003968701.pdb -s /var/tmp/to_scwrl_1003968701.seq -o /var/tmp/from_scwrl_1003968701.pdb > /var/tmp/scwrl_1003968701.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1003968701.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 94 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS3 # request to SCWRL produces command: ulimit -t 113 ; scwrl3 -i /var/tmp/to_scwrl_138665068.pdb -s /var/tmp/to_scwrl_138665068.seq -o /var/tmp/from_scwrl_138665068.pdb > /var/tmp/scwrl_138665068.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_138665068.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 59 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS4 # request to SCWRL produces command: ulimit -t 113 ; scwrl3 -i /var/tmp/to_scwrl_1106647302.pdb -s /var/tmp/to_scwrl_1106647302.seq -o /var/tmp/from_scwrl_1106647302.pdb > /var/tmp/scwrl_1106647302.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1106647302.pdb # conformation set from SCWRL output # naming current conformation karypis.srv.2_TS4-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv.2_TS5.pdb.gz looking for model 1 # Found a chain break before 35 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS5 # request to SCWRL produces command: ulimit -t 113 ; scwrl3 -i /var/tmp/to_scwrl_1919294185.pdb -s /var/tmp/to_scwrl_1919294185.seq -o /var/tmp/from_scwrl_1919294185.pdb > /var/tmp/scwrl_1919294185.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1919294185.pdb # conformation set from SCWRL output # naming current conformation karypis.srv.2_TS5-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0367 can't currently be optimized by undertaker # naming current conformation karypis.srv_TS1 # request to SCWRL produces command: ulimit -t 113 ; scwrl3 -i /var/tmp/to_scwrl_1511322824.pdb -s /var/tmp/to_scwrl_1511322824.seq -o /var/tmp/from_scwrl_1511322824.pdb > /var/tmp/scwrl_1511322824.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1511322824.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 T0367 can't currently be optimized by undertaker # naming current conformation karypis.srv_TS2 # request to SCWRL produces command: ulimit -t 113 ; scwrl3 -i /var/tmp/to_scwrl_1565992529.pdb -s /var/tmp/to_scwrl_1565992529.seq -o /var/tmp/from_scwrl_1565992529.pdb > /var/tmp/scwrl_1565992529.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1565992529.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 T0367 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation karypis.srv_TS3 # request to SCWRL produces command: ulimit -t 113 ; scwrl3 -i /var/tmp/to_scwrl_377073075.pdb -s /var/tmp/to_scwrl_377073075.seq -o /var/tmp/from_scwrl_377073075.pdb > /var/tmp/scwrl_377073075.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_377073075.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 T0367 can't currently be optimized by undertaker # naming current conformation karypis.srv_TS4 # request to SCWRL produces command: ulimit -t 113 ; scwrl3 -i /var/tmp/to_scwrl_2051891867.pdb -s /var/tmp/to_scwrl_2051891867.seq -o /var/tmp/from_scwrl_2051891867.pdb > /var/tmp/scwrl_2051891867.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2051891867.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 T0367 can't currently be optimized by undertaker # naming current conformation karypis.srv_TS5 # request to SCWRL produces command: ulimit -t 113 ; scwrl3 -i /var/tmp/to_scwrl_1519332093.pdb -s /var/tmp/to_scwrl_1519332093.seq -o /var/tmp/from_scwrl_1519332093.pdb > /var/tmp/scwrl_1519332093.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1519332093.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 113 ; scwrl3 -i /var/tmp/to_scwrl_2015788602.pdb -s /var/tmp/to_scwrl_2015788602.seq -o /var/tmp/from_scwrl_2015788602.pdb > /var/tmp/scwrl_2015788602.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2015788602.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 113 ; scwrl3 -i /var/tmp/to_scwrl_2100439081.pdb -s /var/tmp/to_scwrl_2100439081.seq -o /var/tmp/from_scwrl_2100439081.pdb > /var/tmp/scwrl_2100439081.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2100439081.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 113 ; scwrl3 -i /var/tmp/to_scwrl_706138990.pdb -s /var/tmp/to_scwrl_706138990.seq -o /var/tmp/from_scwrl_706138990.pdb > /var/tmp/scwrl_706138990.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_706138990.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 113 ; scwrl3 -i /var/tmp/to_scwrl_682695700.pdb -s /var/tmp/to_scwrl_682695700.seq -o /var/tmp/from_scwrl_682695700.pdb > /var/tmp/scwrl_682695700.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_682695700.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 113 ; scwrl3 -i /var/tmp/to_scwrl_1405466209.pdb -s /var/tmp/to_scwrl_1405466209.seq -o /var/tmp/from_scwrl_1405466209.pdb > /var/tmp/scwrl_1405466209.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1405466209.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 T0367 can't currently be optimized by undertaker # naming current conformation mGen-3D_TS1 # request to SCWRL produces command: ulimit -t 113 ; scwrl3 -i /var/tmp/to_scwrl_374480678.pdb -s /var/tmp/to_scwrl_374480678.seq -o /var/tmp/from_scwrl_374480678.pdb > /var/tmp/scwrl_374480678.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_374480678.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 T0367 can't currently be optimized by undertaker # naming current conformation nFOLD_TS1 # request to SCWRL produces command: ulimit -t 113 ; scwrl3 -i /var/tmp/to_scwrl_56151429.pdb -s /var/tmp/to_scwrl_56151429.seq -o /var/tmp/from_scwrl_56151429.pdb > /var/tmp/scwrl_56151429.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_56151429.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 T0367 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation nFOLD_TS2 # request to SCWRL produces command: ulimit -t 113 ; scwrl3 -i /var/tmp/to_scwrl_1399305993.pdb -s /var/tmp/to_scwrl_1399305993.seq -o /var/tmp/from_scwrl_1399305993.pdb > /var/tmp/scwrl_1399305993.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1399305993.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 T0367 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation nFOLD_TS3 # request to SCWRL produces command: ulimit -t 113 ; scwrl3 -i /var/tmp/to_scwrl_524497317.pdb -s /var/tmp/to_scwrl_524497317.seq -o /var/tmp/from_scwrl_524497317.pdb > /var/tmp/scwrl_524497317.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_524497317.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 T0367 can't currently be optimized by undertaker # naming current conformation nFOLD_TS4 # request to SCWRL produces command: ulimit -t 113 ; scwrl3 -i /var/tmp/to_scwrl_545353888.pdb -s /var/tmp/to_scwrl_545353888.seq -o /var/tmp/from_scwrl_545353888.pdb > /var/tmp/scwrl_545353888.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_545353888.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 T0367 can't currently be optimized by undertaker # naming current conformation nFOLD_TS5 # request to SCWRL produces command: ulimit -t 113 ; scwrl3 -i /var/tmp/to_scwrl_1459827878.pdb -s /var/tmp/to_scwrl_1459827878.seq -o /var/tmp/from_scwrl_1459827878.pdb > /var/tmp/scwrl_1459827878.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1459827878.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: (T0367)M24.N and (T0367)G25.N only 0.000 apart, marking (T0367)G25.N as missing WARNING: atoms too close: (T0367)M24.CA and (T0367)G25.CA only 0.000 apart, marking (T0367)G25.CA as missing WARNING: atoms too close: (T0367)M24.O and (T0367)G25.O only 0.000 apart, marking (T0367)G25.O as missing WARNING: atoms too close: (T0367)M24.C and (T0367)G25.C only 0.000 apart, marking (T0367)G25.C as missing WARNING: atoms too close: (T0367)G25.N and (T0367)L26.N only 0.000 apart, marking (T0367)G25.N as missing WARNING: atoms too close: (T0367)M24.N and (T0367)L26.N only 0.000 apart, marking (T0367)L26.N as missing WARNING: atoms too close: (T0367)G25.CA and (T0367)L26.CA only 0.000 apart, marking (T0367)L26.CA as missing WARNING: atoms too close: (T0367)M24.CA and (T0367)L26.CA only 0.000 apart, marking (T0367)L26.CA as missing WARNING: atoms too close: (T0367)M24.CB and (T0367)L26.CB only 0.000 apart, marking (T0367)L26.CB as missing WARNING: atoms too close: (T0367)G25.O and (T0367)L26.O only 0.000 apart, marking (T0367)L26.O as missing WARNING: atoms too close: (T0367)M24.O and (T0367)L26.O only 0.000 apart, marking (T0367)L26.O as missing WARNING: atoms too close: (T0367)G25.C and (T0367)L26.C only 0.000 apart, marking (T0367)L26.C as missing WARNING: atoms too close: (T0367)M24.C and (T0367)L26.C only 0.000 apart, marking (T0367)L26.C as missing WARNING: atoms too close: (T0367)L26.N and (T0367)Y27.N only 0.000 apart, marking (T0367)L26.N as missing WARNING: atoms too close: (T0367)G25.N and (T0367)Y27.N only 0.000 apart, marking (T0367)G25.N as missing WARNING: atoms too close: (T0367)M24.N and (T0367)Y27.N only 0.000 apart, marking (T0367)Y27.N as missing WARNING: atoms too close: (T0367)L26.CA and (T0367)Y27.CA only 0.000 apart, marking (T0367)Y27.CA as missing WARNING: atoms too close: (T0367)G25.CA and (T0367)Y27.CA only 0.000 apart, marking (T0367)Y27.CA as missing WARNING: atoms too close: (T0367)M24.CA and (T0367)Y27.CA only 0.000 apart, marking (T0367)Y27.CA as missing WARNING: atoms too close: (T0367)L26.CB and (T0367)Y27.CB only 0.000 apart, marking (T0367)Y27.CB as missing WARNING: atoms too close: (T0367)M24.CB and (T0367)Y27.CB only 0.000 apart, marking (T0367)Y27.CB as missing WARNING: atoms too close: (T0367)L26.O and (T0367)Y27.O only 0.000 apart, marking (T0367)Y27.O as missing WARNING: atoms too close: (T0367)G25.O and (T0367)Y27.O only 0.000 apart, marking (T0367)Y27.O as missing WARNING: atoms too close: (T0367)M24.O and (T0367)Y27.O only 0.000 apart, marking (T0367)Y27.O as missing WARNING: atoms too close: (T0367)L26.C and (T0367)Y27.C only 0.000 apart, marking (T0367)Y27.C as missing WARNING: atoms too close: (T0367)G25.C and (T0367)Y27.C only 0.000 apart, marking (T0367)Y27.C as missing WARNING: atoms too close: (T0367)M24.C and (T0367)Y27.C only 0.000 apart, marking (T0367)Y27.C as missing WARNING: atoms too close: (T0367)Y27.N and (T0367)E28.N only 0.000 apart, marking (T0367)Y27.N as missing WARNING: atoms too close: (T0367)L26.N and (T0367)E28.N only 0.000 apart, marking (T0367)L26.N as missing WARNING: atoms too close: (T0367)G25.N and (T0367)E28.N only 0.000 apart, marking (T0367)G25.N as missing WARNING: atoms too close: (T0367)M24.N and (T0367)E28.N only 0.000 apart, marking (T0367)E28.N as missing WARNING: atoms too close: (T0367)Y27.CA and (T0367)E28.CA only 0.000 apart, marking (T0367)E28.CA as missing WARNING: atoms too close: (T0367)L26.CA and (T0367)E28.CA only 0.000 apart, marking (T0367)E28.CA as missing WARNING: atoms too close: (T0367)G25.CA and (T0367)E28.CA only 0.000 apart, marking (T0367)E28.CA as missing WARNING: atoms too close: (T0367)M24.CA and (T0367)E28.CA only 0.000 apart, marking (T0367)E28.CA as missing WARNING: atoms too close: (T0367)Y27.CB and (T0367)E28.CB only 0.000 apart, marking (T0367)E28.CB as missing WARNING: atoms too close: (T0367)L26.CB and (T0367)E28.CB only 0.000 apart, marking (T0367)E28.CB as missing WARNING: atoms too close: (T0367)M24.CB and (T0367)E28.CB only 0.000 apart, marking (T0367)E28.CB as missing WARNING: atoms too close: (T0367)Y27.O and (T0367)E28.O only 0.000 apart, marking (T0367)E28.O as missing WARNING: atoms too close: (T0367)L26.O and (T0367)E28.O only 0.000 apart, marking (T0367)E28.O as missing WARNING: atoms too close: (T0367)G25.O and (T0367)E28.O only 0.000 apart, marking (T0367)E28.O as missing WARNING: atoms too close: (T0367)M24.O and (T0367)E28.O only 0.000 apart, marking (T0367)E28.O as missing WARNING: atoms too close: (T0367)Y27.C and (T0367)E28.C only 0.000 apart, marking (T0367)E28.C as missing WARNING: atoms too close: (T0367)L26.C and (T0367)E28.C only 0.000 apart, marking (T0367)E28.C as missing WARNING: atoms too close: (T0367)G25.C and (T0367)E28.C only 0.000 apart, marking (T0367)E28.C as missing WARNING: atoms too close: (T0367)M24.C and (T0367)E28.C only 0.000 apart, marking (T0367)E28.C as missing WARNING: atoms too close: (T0367)E28.N and (T0367)R29.N only 0.000 apart, marking (T0367)E28.N as missing WARNING: atoms too close: (T0367)Y27.N and (T0367)R29.N only 0.000 apart, marking (T0367)Y27.N as missing WARNING: atoms too close: (T0367)L26.N and (T0367)R29.N only 0.000 apart, marking (T0367)L26.N as missing WARNING: atoms too close: (T0367)G25.N and (T0367)R29.N only 0.000 apart, marking (T0367)G25.N as missing WARNING: atoms too close: (T0367)M24.N and (T0367)R29.N only 0.000 apart, marking (T0367)R29.N as missing WARNING: atoms too close: (T0367)E28.CA and (T0367)R29.CA only 0.000 apart, marking (T0367)R29.CA as missing WARNING: atoms too close: (T0367)Y27.CA and (T0367)R29.CA only 0.000 apart, marking (T0367)R29.CA as missing WARNING: atoms too close: (T0367)L26.CA and (T0367)R29.CA only 0.000 apart, marking (T0367)R29.CA as missing WARNING: atoms too close: (T0367)G25.CA and (T0367)R29.CA only 0.000 apart, marking (T0367)R29.CA as missing WARNING: atoms too close: (T0367)M24.CA and (T0367)R29.CA only 0.000 apart, marking (T0367)R29.CA as missing WARNING: atoms too close: (T0367)E28.CB and (T0367)R29.CB only 0.000 apart, marking (T0367)R29.CB as missing WARNING: atoms too close: (T0367)Y27.CB and (T0367)R29.CB only 0.000 apart, marking (T0367)R29.CB as missing WARNING: atoms too close: (T0367)L26.CB and (T0367)R29.CB only 0.000 apart, marking (T0367)R29.CB as missing WARNING: atoms too close: (T0367)M24.CB and (T0367)R29.CB only 0.000 apart, marking (T0367)R29.CB as missing WARNING: atoms too close: (T0367)E28.O and (T0367)R29.O only 0.000 apart, marking (T0367)R29.O as missing WARNING: atoms too close: (T0367)Y27.O and (T0367)R29.O only 0.000 apart, marking (T0367)R29.O as missing WARNING: atoms too close: (T0367)L26.O and (T0367)R29.O only 0.000 apart, marking (T0367)R29.O as missing WARNING: atoms too close: (T0367)G25.O and (T0367)R29.O only 0.000 apart, marking (T0367)R29.O as missing WARNING: atoms too close: (T0367)M24.O and (T0367)R29.O only 0.000 apart, marking (T0367)R29.O as missing WARNING: atoms too close: (T0367)E28.C and (T0367)R29.C only 0.000 apart, marking (T0367)R29.C as missing WARNING: atoms too close: (T0367)Y27.C and (T0367)R29.C only 0.000 apart, marking (T0367)R29.C as missing WARNING: atoms too close: (T0367)L26.C and (T0367)R29.C only 0.000 apart, marking (T0367)R29.C as missing WARNING: atoms too close: (T0367)G25.C and (T0367)R29.C only 0.000 apart, marking (T0367)R29.C as missing WARNING: atoms too close: (T0367)M24.C and (T0367)R29.C only 0.000 apart, marking (T0367)R29.C as missing WARNING: atoms too close: (T0367)R29.N and (T0367)L72.N only 0.000 apart, marking (T0367)R29.N as missing WARNING: atoms too close: (T0367)E28.N and (T0367)L72.N only 0.000 apart, marking (T0367)E28.N as missing WARNING: atoms too close: (T0367)Y27.N and (T0367)L72.N only 0.000 apart, marking (T0367)Y27.N as missing WARNING: atoms too close: (T0367)L26.N and (T0367)L72.N only 0.000 apart, marking (T0367)L26.N as missing WARNING: atoms too close: (T0367)G25.N and (T0367)L72.N only 0.000 apart, marking (T0367)G25.N as missing WARNING: atoms too close: (T0367)M24.N and (T0367)L72.N only 0.000 apart, marking (T0367)L72.N as missing WARNING: atoms too close: (T0367)R29.CA and (T0367)L72.CA only 0.000 apart, marking (T0367)L72.CA as missing WARNING: atoms too close: (T0367)E28.CA and (T0367)L72.CA only 0.000 apart, marking (T0367)L72.CA as missing WARNING: atoms too close: (T0367)Y27.CA and (T0367)L72.CA only 0.000 apart, marking (T0367)L72.CA as missing WARNING: atoms too close: (T0367)L26.CA and (T0367)L72.CA only 0.000 apart, marking (T0367)L72.CA as missing WARNING: atoms too close: (T0367)G25.CA and (T0367)L72.CA only 0.000 apart, marking (T0367)L72.CA as missing WARNING: atoms too close: (T0367)M24.CA and (T0367)L72.CA only 0.000 apart, marking (T0367)L72.CA as missing WARNING: atoms too close: (T0367)R29.CB and (T0367)L72.CB only 0.000 apart, marking (T0367)L72.CB as missing WARNING: atoms too close: (T0367)E28.CB and (T0367)L72.CB only 0.000 apart, marking (T0367)L72.CB as missing WARNING: atoms too close: (T0367)Y27.CB and (T0367)L72.CB only 0.000 apart, marking (T0367)L72.CB as missing WARNING: atoms too close: (T0367)L26.CB and (T0367)L72.CB only 0.000 apart, marking (T0367)L72.CB as missing WARNING: atoms too close: (T0367)M24.CB and (T0367)L72.CB only 0.000 apart, marking (T0367)L72.CB as missing WARNING: atoms too close: (T0367)R29.O and (T0367)L72.O only 0.000 apart, marking (T0367)L72.O as missing WARNING: atoms too close: (T0367)E28.O and (T0367)L72.O only 0.000 apart, marking (T0367)L72.O as missing WARNING: atoms too close: (T0367)Y27.O and (T0367)L72.O only 0.000 apart, marking (T0367)L72.O as missing WARNING: atoms too close: (T0367)L26.O and (T0367)L72.O only 0.000 apart, marking (T0367)L72.O as missing WARNING: atoms too close: (T0367)G25.O and (T0367)L72.O only 0.000 apart, marking (T0367)L72.O as missing WARNING: atoms too close: (T0367)M24.O and (T0367)L72.O only 0.000 apart, marking (T0367)L72.O as missing WARNING: atoms too close: (T0367)R29.C and (T0367)L72.C only 0.000 apart, marking (T0367)L72.C as missing WARNING: atoms too close: (T0367)E28.C and (T0367)L72.C only 0.000 apart, marking (T0367)L72.C as missing WARNING: atoms too close: (T0367)Y27.C and (T0367)L72.C only 0.000 apart, marking (T0367)L72.C as missing WARNING: atoms too close: (T0367)L26.C and (T0367)L72.C only 0.000 apart, marking (T0367)L72.C as missing WARNING: atoms too close: (T0367)G25.C and (T0367)L72.C only 0.000 apart, marking (T0367)L72.C as missing WARNING: atoms too close: (T0367)M24.C and (T0367)L72.C only 0.000 apart, marking (T0367)L72.C as missing WARNING: atoms too close: (T0367)L72.N and (T0367)S73.N only 0.000 apart, marking (T0367)L72.N as missing WARNING: atoms too close: (T0367)R29.N and (T0367)S73.N only 0.000 apart, marking (T0367)R29.N as missing WARNING: atoms too close: (T0367)E28.N and (T0367)S73.N only 0.000 apart, marking (T0367)E28.N as missing WARNING: atoms too close: (T0367)Y27.N and (T0367)S73.N only 0.000 apart, marking (T0367)Y27.N as missing WARNING: atoms too close: (T0367)L26.N and (T0367)S73.N only 0.000 apart, marking (T0367)L26.N as missing WARNING: atoms too close: (T0367)G25.N and (T0367)S73.N only 0.000 apart, marking (T0367)G25.N as missing WARNING: atoms too close: (T0367)M24.N and (T0367)S73.N only 0.000 apart, marking (T0367)S73.N as missing WARNING: atoms too close: (T0367)L72.CA and (T0367)S73.CA only 0.000 apart, marking (T0367)S73.CA as missing WARNING: atoms too close: (T0367)R29.CA and (T0367)S73.CA only 0.000 apart, marking (T0367)S73.CA as missing WARNING: atoms too close: (T0367)E28.CA and (T0367)S73.CA only 0.000 apart, marking (T0367)S73.CA as missing WARNING: atoms too close: (T0367)Y27.CA and (T0367)S73.CA only 0.000 apart, marking (T0367)S73.CA as missing WARNING: atoms too close: (T0367)L26.CA and (T0367)S73.CA only 0.000 apart, marking (T0367)S73.CA as missing WARNING: atoms too close: (T0367)G25.CA and (T0367)S73.CA only 0.000 apart, marking (T0367)S73.CA as missing WARNING: atoms too close: (T0367)M24.CA and (T0367)S73.CA only 0.000 apart, marking (T0367)S73.CA as missing WARNING: atoms too close: (T0367)L72.CB and (T0367)S73.CB only 0.000 apart, marking (T0367)S73.CB as missing WARNING: atoms too close: (T0367)R29.CB and (T0367)S73.CB only 0.000 apart, marking (T0367)S73.CB as missing WARNING: atoms too close: (T0367)E28.CB and (T0367)S73.CB only 0.000 apart, marking (T0367)S73.CB as missing WARNING: atoms too close: (T0367)Y27.CB and (T0367)S73.CB only 0.000 apart, marking (T0367)S73.CB as missing WARNING: atoms too close: (T0367)L26.CB and (T0367)S73.CB only 0.000 apart, marking (T0367)S73.CB as missing WARNING: atoms too close: (T0367)M24.CB and (T0367)S73.CB only 0.000 apart, marking (T0367)S73.CB as missing WARNING: atoms too close: (T0367)L72.O and (T0367)S73.O only 0.000 apart, marking (T0367)S73.O as missing WARNING: atoms too close: (T0367)R29.O and (T0367)S73.O only 0.000 apart, marking (T0367)S73.O as missing WARNING: atoms too close: (T0367)E28.O and (T0367)S73.O only 0.000 apart, marking (T0367)S73.O as missing WARNING: atoms too close: (T0367)Y27.O and (T0367)S73.O only 0.000 apart, marking (T0367)S73.O as missing WARNING: atoms too close: (T0367)L26.O and (T0367)S73.O only 0.000 apart, marking (T0367)S73.O as missing WARNING: atoms too close: (T0367)G25.O and (T0367)S73.O only 0.000 apart, marking (T0367)S73.O as missing WARNING: atoms too close: (T0367)M24.O and (T0367)S73.O only 0.000 apart, marking (T0367)S73.O as missing WARNING: atoms too close: (T0367)L72.C and (T0367)S73.C only 0.000 apart, marking (T0367)S73.C as missing WARNING: atoms too close: (T0367)R29.C and (T0367)S73.C only 0.000 apart, marking (T0367)S73.C as missing WARNING: atoms too close: (T0367)E28.C and (T0367)S73.C only 0.000 apart, marking (T0367)S73.C as missing WARNING: atoms too close: (T0367)Y27.C and (T0367)S73.C only 0.000 apart, marking (T0367)S73.C as missing WARNING: atoms too close: (T0367)L26.C and (T0367)S73.C only 0.000 apart, marking (T0367)S73.C as missing WARNING: atoms too close: (T0367)G25.C and (T0367)S73.C only 0.000 apart, marking (T0367)S73.C as missing WARNING: atoms too close: (T0367)M24.C and (T0367)S73.C only 0.000 apart, marking (T0367)S73.C as missing WARNING: atoms too close: (T0367)S73.N and (T0367)D74.N only 0.000 apart, marking (T0367)S73.N as missing WARNING: atoms too close: (T0367)L72.N and (T0367)D74.N only 0.000 apart, marking (T0367)L72.N as missing WARNING: atoms too close: (T0367)R29.N and (T0367)D74.N only 0.000 apart, marking (T0367)R29.N as missing WARNING: atoms too close: (T0367)E28.N and (T0367)D74.N only 0.000 apart, marking (T0367)E28.N as missing WARNING: atoms too close: (T0367)Y27.N and (T0367)D74.N only 0.000 apart, marking (T0367)Y27.N as missing WARNING: atoms too close: (T0367)L26.N and (T0367)D74.N only 0.000 apart, marking (T0367)L26.N as missing WARNING: atoms too close: (T0367)G25.N and (T0367)D74.N only 0.000 apart, marking (T0367)G25.N as missing WARNING: atoms too close: (T0367)M24.N and (T0367)D74.N only 0.000 apart, marking (T0367)D74.N as missing WARNING: atoms too close: (T0367)S73.CA and (T0367)D74.CA only 0.000 apart, marking (T0367)D74.CA as missing WARNING: atoms too close: (T0367)L72.CA and (T0367)D74.CA only 0.000 apart, marking (T0367)D74.CA as missing WARNING: atoms too close: (T0367)R29.CA and (T0367)D74.CA only 0.000 apart, marking (T0367)D74.CA as missing WARNING: atoms too close: (T0367)E28.CA and (T0367)D74.CA only 0.000 apart, marking (T0367)D74.CA as missing WARNING: atoms too close: (T0367)Y27.CA and (T0367)D74.CA only 0.000 apart, marking (T0367)D74.CA as missing WARNING: atoms too close: (T0367)L26.CA and (T0367)D74.CA only 0.000 apart, marking (T0367)D74.CA as missing WARNING: atoms too close: (T0367)G25.CA and (T0367)D74.CA only 0.000 apart, marking (T0367)D74.CA as missing WARNING: atoms too close: (T0367)M24.CA and (T0367)D74.CA only 0.000 apart, marking (T0367)D74.CA as missing WARNING: atoms too close: (T0367)S73.CB and (T0367)D74.CB only 0.000 apart, marking (T0367)D74.CB as missing WARNING: atoms too close: (T0367)L72.CB and (T0367)D74.CB only 0.000 apart, marking (T0367)D74.CB as missing WARNING: atoms too close: (T0367)R29.CB and (T0367)D74.CB only 0.000 apart, marking (T0367)D74.CB as missing WARNING: atoms too close: (T0367)E28.CB and (T0367)D74.CB only 0.000 apart, marking (T0367)D74.CB as missing WARNING: atoms too close: (T0367)Y27.CB and (T0367)D74.CB only 0.000 apart, marking (T0367)D74.CB as missing WARNING: atoms too close: (T0367)L26.CB and (T0367)D74.CB only 0.000 apart, marking (T0367)D74.CB as missing WARNING: atoms too close: (T0367)M24.CB and (T0367)D74.CB only 0.000 apart, marking (T0367)D74.CB as missing WARNING: atoms too close: (T0367)S73.O and (T0367)D74.O only 0.000 apart, marking (T0367)D74.O as missing WARNING: atoms too close: (T0367)L72.O and (T0367)D74.O only 0.000 apart, marking (T0367)D74.O as missing WARNING: atoms too close: (T0367)R29.O and (T0367)D74.O only 0.000 apart, marking (T0367)D74.O as missing WARNING: atoms too close: (T0367)E28.O and (T0367)D74.O only 0.000 apart, marking (T0367)D74.O as missing WARNING: atoms too close: (T0367)Y27.O and (T0367)D74.O only 0.000 apart, marking (T0367)D74.O as missing WARNING: atoms too close: (T0367)L26.O and (T0367)D74.O only 0.000 apart, marking (T0367)D74.O as missing WARNING: atoms too close: (T0367)G25.O and (T0367)D74.O only 0.000 apart, marking (T0367)D74.O as missing WARNING: atoms too close: (T0367)M24.O and (T0367)D74.O only 0.000 apart, marking (T0367)D74.O as missing WARNING: atoms too close: (T0367)S73.C and (T0367)D74.C only 0.000 apart, marking (T0367)D74.C as missing WARNING: atoms too close: (T0367)L72.C and (T0367)D74.C only 0.000 apart, marking (T0367)D74.C as missing WARNING: atoms too close: (T0367)R29.C and (T0367)D74.C only 0.000 apart, marking (T0367)D74.C as missing WARNING: atoms too close: (T0367)E28.C and (T0367)D74.C only 0.000 apart, marking (T0367)D74.C as missing WARNING: atoms too close: (T0367)Y27.C and (T0367)D74.C only 0.000 apart, marking (T0367)D74.C as missing WARNING: atoms too close: (T0367)L26.C and (T0367)D74.C only 0.000 apart, marking (T0367)D74.C as missing WARNING: atoms too close: (T0367)G25.C and (T0367)D74.C only 0.000 apart, marking (T0367)D74.C as missing WARNING: atoms too close: (T0367)M24.C and (T0367)D74.C only 0.000 apart, marking (T0367)D74.C as missing WARNING: atoms too close: (T0367)D74.N and (T0367)D75.N only 0.000 apart, marking (T0367)D74.N as missing WARNING: atoms too close: (T0367)S73.N and (T0367)D75.N only 0.000 apart, marking (T0367)S73.N as missing WARNING: atoms too close: (T0367)L72.N and (T0367)D75.N only 0.000 apart, marking (T0367)L72.N as missing WARNING: atoms too close: (T0367)R29.N and (T0367)D75.N only 0.000 apart, marking (T0367)R29.N as missing WARNING: atoms too close: (T0367)E28.N and (T0367)D75.N only 0.000 apart, marking (T0367)E28.N as missing WARNING: atoms too close: (T0367)Y27.N and (T0367)D75.N only 0.000 apart, marking (T0367)Y27.N as missing WARNING: atoms too close: (T0367)L26.N and (T0367)D75.N only 0.000 apart, marking (T0367)L26.N as missing WARNING: atoms too close: (T0367)G25.N and (T0367)D75.N only 0.000 apart, marking (T0367)G25.N as missing WARNING: atoms too close: (T0367)M24.N and (T0367)D75.N only 0.000 apart, marking (T0367)D75.N as missing WARNING: atoms too close: (T0367)D74.CA and (T0367)D75.CA only 0.000 apart, marking (T0367)D75.CA as missing WARNING: atoms too close: (T0367)S73.CA and (T0367)D75.CA only 0.000 apart, marking (T0367)D75.CA as missing WARNING: atoms too close: (T0367)L72.CA and (T0367)D75.CA only 0.000 apart, marking (T0367)D75.CA as missing WARNING: atoms too close: (T0367)R29.CA and (T0367)D75.CA only 0.000 apart, marking (T0367)D75.CA as missing WARNING: atoms too close: (T0367)E28.CA and (T0367)D75.CA only 0.000 apart, marking (T0367)D75.CA as missing WARNING: atoms too close: (T0367)Y27.CA and (T0367)D75.CA only 0.000 apart, marking (T0367)D75.CA as missing WARNING: atoms too close: (T0367)L26.CA and (T0367)D75.CA only 0.000 apart, marking (T0367)D75.CA as missing WARNING: atoms too close: (T0367)G25.CA and (T0367)D75.CA only 0.000 apart, marking (T0367)D75.CA as missing WARNING: atoms too close: (T0367)M24.CA and (T0367)D75.CA only 0.000 apart, marking (T0367)D75.CA as missing WARNING: atoms too close: (T0367)D74.CB and (T0367)D75.CB only 0.000 apart, marking (T0367)D75.CB as missing WARNING: atoms too close: (T0367)S73.CB and (T0367)D75.CB only 0.000 apart, marking (T0367)D75.CB as missing WARNING: atoms too close: (T0367)L72.CB and (T0367)D75.CB only 0.000 apart, marking (T0367)D75.CB as missing WARNING: atoms too close: (T0367)R29.CB and (T0367)D75.CB only 0.000 apart, marking (T0367)D75.CB as missing WARNING: atoms too close: (T0367)E28.CB and (T0367)D75.CB only 0.000 apart, marking (T0367)D75.CB as missing WARNING: atoms too close: (T0367)Y27.CB and (T0367)D75.CB only 0.000 apart, marking (T0367)D75.CB as missing WARNING: atoms too close: (T0367)L26.CB and (T0367)D75.CB only 0.000 apart, marking (T0367)D75.CB as missing WARNING: atoms too close: (T0367)M24.CB and (T0367)D75.CB only 0.000 apart, marking (T0367)D75.CB as missing WARNING: atoms too close: (T0367)D74.O and (T0367)D75.O only 0.000 apart, marking (T0367)D75.O as missing WARNING: atoms too close: (T0367)S73.O and (T0367)D75.O only 0.000 apart, marking (T0367)D75.O as missing WARNING: atoms too close: (T0367)L72.O and (T0367)D75.O only 0.000 apart, marking (T0367)D75.O as missing WARNING: atoms too close: (T0367)R29.O and (T0367)D75.O only 0.000 apart, marking (T0367)D75.O as missing WARNING: atoms too close: (T0367)E28.O and (T0367)D75.O only 0.000 apart, marking (T0367)D75.O as missing WARNING: atoms too close: (T0367)Y27.O and (T0367)D75.O only 0.000 apart, marking (T0367)D75.O as missing WARNING: atoms too close: (T0367)L26.O and (T0367)D75.O only 0.000 apart, marking (T0367)D75.O as missing WARNING: atoms too close: (T0367)G25.O and (T0367)D75.O only 0.000 apart, marking (T0367)D75.O as missing WARNING: atoms too close: (T0367)M24.O and (T0367)D75.O only 0.000 apart, marking (T0367)D75.O as missing WARNING: atoms too close: (T0367)D74.C and (T0367)D75.C only 0.000 apart, marking (T0367)D75.C as missing WARNING: atoms too close: (T0367)S73.C and (T0367)D75.C only 0.000 apart, marking (T0367)D75.C as missing WARNING: atoms too close: (T0367)L72.C and (T0367)D75.C only 0.000 apart, marking (T0367)D75.C as missing WARNING: atoms too close: (T0367)R29.C and (T0367)D75.C only 0.000 apart, marking (T0367)D75.C as missing WARNING: atoms too close: (T0367)E28.C and (T0367)D75.C only 0.000 apart, marking (T0367)D75.C as missing WARNING: atoms too close: (T0367)Y27.C and (T0367)D75.C only 0.000 apart, marking (T0367)D75.C as missing WARNING: atoms too close: (T0367)L26.C and (T0367)D75.C only 0.000 apart, marking (T0367)D75.C as missing WARNING: atoms too close: (T0367)G25.C and (T0367)D75.C only 0.000 apart, marking (T0367)D75.C as missing WARNING: atoms too close: (T0367)M24.C and (T0367)D75.C only 0.000 apart, marking (T0367)D75.C as missing WARNING: atoms too close: (T0367)D75.N and (T0367)D76.N only 0.000 apart, marking (T0367)D75.N as missing WARNING: atoms too close: (T0367)D74.N and (T0367)D76.N only 0.000 apart, marking (T0367)D74.N as missing WARNING: atoms too close: (T0367)S73.N and (T0367)D76.N only 0.000 apart, marking (T0367)S73.N as missing WARNING: atoms too close: (T0367)L72.N and (T0367)D76.N only 0.000 apart, marking (T0367)L72.N as missing WARNING: atoms too close: (T0367)R29.N and (T0367)D76.N only 0.000 apart, marking (T0367)R29.N as missing WARNING: atoms too close: (T0367)E28.N and (T0367)D76.N only 0.000 apart, marking (T0367)E28.N as missing WARNING: atoms too close: (T0367)Y27.N and (T0367)D76.N only 0.000 apart, marking (T0367)Y27.N as missing WARNING: atoms too close: (T0367)L26.N and (T0367)D76.N only 0.000 apart, marking (T0367)L26.N as missing WARNING: atoms too close: (T0367)G25.N and (T0367)D76.N only 0.000 apart, marking (T0367)G25.N as missing WARNING: atoms too close: (T0367)M24.N and (T0367)D76.N only 0.000 apart, marking (T0367)D76.N as missing WARNING: atoms too close: (T0367)D75.CA and (T0367)D76.CA only 0.000 apart, marking (T0367)D76.CA as missing WARNING: atoms too close: (T0367)D74.CA and (T0367)D76.CA only 0.000 apart, marking (T0367)D76.CA as missing WARNING: atoms too close: (T0367)S73.CA and (T0367)D76.CA only 0.000 apart, marking (T0367)D76.CA as missing WARNING: atoms too close: (T0367)L72.CA and (T0367)D76.CA only 0.000 apart, marking (T0367)D76.CA as missing WARNING: atoms too close: (T0367)R29.CA and (T0367)D76.CA only 0.000 apart, marking (T0367)D76.CA as missing WARNING: atoms too close: (T0367)E28.CA and (T0367)D76.CA only 0.000 apart, marking (T0367)D76.CA as missing WARNING: atoms too close: (T0367)Y27.CA and (T0367)D76.CA only 0.000 apart, marking (T0367)D76.CA as missing WARNING: atoms too close: (T0367)L26.CA and (T0367)D76.CA only 0.000 apart, marking (T0367)D76.CA as missing WARNING: atoms too close: (T0367)G25.CA and (T0367)D76.CA only 0.000 apart, marking (T0367)D76.CA as missing WARNING: atoms too close: (T0367)M24.CA and (T0367)D76.CA only 0.000 apart, marking (T0367)D76.CA as missing WARNING: atoms too close: (T0367)D75.CB and (T0367)D76.CB only 0.000 apart, marking (T0367)D76.CB as missing WARNING: atoms too close: (T0367)D74.CB and (T0367)D76.CB only 0.000 apart, marking (T0367)D76.CB as missing WARNING: atoms too close: (T0367)S73.CB and (T0367)D76.CB only 0.000 apart, marking (T0367)D76.CB as missing WARNING: atoms too close: (T0367)L72.CB and (T0367)D76.CB only 0.000 apart, marking (T0367)D76.CB as missing WARNING: atoms too close: (T0367)R29.CB and (T0367)D76.CB only 0.000 apart, marking (T0367)D76.CB as missing WARNING: atoms too close: (T0367)E28.CB and (T0367)D76.CB only 0.000 apart, marking (T0367)D76.CB as missing WARNING: atoms too close: (T0367)Y27.CB and (T0367)D76.CB only 0.000 apart, marking (T0367)D76.CB as missing WARNING: atoms too close: (T0367)L26.CB and (T0367)D76.CB only 0.000 apart, marking (T0367)D76.CB as missing WARNING: atoms too close: (T0367)M24.CB and (T0367)D76.CB only 0.000 apart, marking (T0367)D76.CB as missing WARNING: atoms too close: (T0367)D75.O and (T0367)D76.O only 0.000 apart, marking (T0367)D76.O as missing WARNING: atoms too close: (T0367)D74.O and (T0367)D76.O only 0.000 apart, marking (T0367)D76.O as missing WARNING: atoms too close: (T0367)S73.O and (T0367)D76.O only 0.000 apart, marking (T0367)D76.O as missing WARNING: atoms too close: (T0367)L72.O and (T0367)D76.O only 0.000 apart, marking (T0367)D76.O as missing WARNING: atoms too close: (T0367)R29.O and (T0367)D76.O only 0.000 apart, marking (T0367)D76.O as missing WARNING: atoms too close: (T0367)E28.O and (T0367)D76.O only 0.000 apart, marking (T0367)D76.O as missing WARNING: atoms too close: (T0367)Y27.O and (T0367)D76.O only 0.000 apart, marking (T0367)D76.O as missing WARNING: atoms too close: (T0367)L26.O and (T0367)D76.O only 0.000 apart, marking (T0367)D76.O as missing WARNING: atoms too close: (T0367)G25.O and (T0367)D76.O only 0.000 apart, marking (T0367)D76.O as missing WARNING: atoms too close: (T0367)M24.O and (T0367)D76.O only 0.000 apart, marking (T0367)D76.O as missing WARNING: atoms too close: (T0367)D75.C and (T0367)D76.C only 0.000 apart, marking (T0367)D76.C as missing WARNING: atoms too close: (T0367)D74.C and (T0367)D76.C only 0.000 apart, marking (T0367)D76.C as missing WARNING: atoms too close: (T0367)S73.C and (T0367)D76.C only 0.000 apart, marking (T0367)D76.C as missing WARNING: atoms too close: (T0367)L72.C and (T0367)D76.C only 0.000 apart, marking (T0367)D76.C as missing WARNING: atoms too close: (T0367)R29.C and (T0367)D76.C only 0.000 apart, marking (T0367)D76.C as missing WARNING: atoms too close: (T0367)E28.C and (T0367)D76.C only 0.000 apart, marking (T0367)D76.C as missing WARNING: atoms too close: (T0367)Y27.C and (T0367)D76.C only 0.000 apart, marking (T0367)D76.C as missing WARNING: atoms too close: (T0367)L26.C and (T0367)D76.C only 0.000 apart, marking (T0367)D76.C as missing WARNING: atoms too close: (T0367)G25.C and (T0367)D76.C only 0.000 apart, marking (T0367)D76.C as missing WARNING: atoms too close: (T0367)M24.C and (T0367)D76.C only 0.000 apart, marking (T0367)D76.C as missing WARNING: atoms too close: (T0367)D76.N and (T0367)C77.N only 0.000 apart, marking (T0367)D76.N as missing WARNING: atoms too close: (T0367)D75.N and (T0367)C77.N only 0.000 apart, marking (T0367)D75.N as missing WARNING: atoms too close: (T0367)D74.N and (T0367)C77.N only 0.000 apart, marking (T0367)D74.N as missing WARNING: atoms too close: (T0367)S73.N and (T0367)C77.N only 0.000 apart, marking (T0367)S73.N as missing WARNING: atoms too close: (T0367)L72.N and (T0367)C77.N only 0.000 apart, marking (T0367)L72.N as missing WARNING: atoms too close: (T0367)R29.N and (T0367)C77.N only 0.000 apart, marking (T0367)R29.N as missing WARNING: atoms too close: (T0367)E28.N and (T0367)C77.N only 0.000 apart, marking (T0367)E28.N as missing WARNING: atoms too close: (T0367)Y27.N and (T0367)C77.N only 0.000 apart, marking (T0367)Y27.N as missing WARNING: atoms too close: (T0367)L26.N and (T0367)C77.N only 0.000 apart, marking (T0367)L26.N as missing WARNING: atoms too close: (T0367)G25.N and (T0367)C77.N only 0.000 apart, marking (T0367)G25.N as missing WARNING: atoms too close: (T0367)M24.N and (T0367)C77.N only 0.000 apart, marking (T0367)C77.N as missing WARNING: atoms too close: (T0367)D76.CA and (T0367)C77.CA only 0.000 apart, marking (T0367)C77.CA as missing WARNING: atoms too close: (T0367)D75.CA and (T0367)C77.CA only 0.000 apart, marking (T0367)C77.CA as missing WARNING: atoms too close: (T0367)D74.CA and (T0367)C77.CA only 0.000 apart, marking (T0367)C77.CA as missing WARNING: atoms too close: (T0367)S73.CA and (T0367)C77.CA only 0.000 apart, marking (T0367)C77.CA as missing WARNING: atoms too close: (T0367)L72.CA and (T0367)C77.CA only 0.000 apart, marking (T0367)C77.CA as missing WARNING: atoms too close: (T0367)R29.CA and (T0367)C77.CA only 0.000 apart, marking (T0367)C77.CA as missing WARNING: atoms too close: (T0367)E28.CA and (T0367)C77.CA only 0.000 apart, marking (T0367)C77.CA as missing WARNING: atoms too close: (T0367)Y27.CA and (T0367)C77.CA only 0.000 apart, marking (T0367)C77.CA as missing WARNING: atoms too close: (T0367)L26.CA and (T0367)C77.CA only 0.000 apart, marking (T0367)C77.CA as missing WARNING: atoms too close: (T0367)G25.CA and (T0367)C77.CA only 0.000 apart, marking (T0367)C77.CA as missing WARNING: atoms too close: (T0367)M24.CA and (T0367)C77.CA only 0.000 apart, marking (T0367)C77.CA as missing WARNING: atoms too close: (T0367)D76.CB and (T0367)C77.CB only 0.000 apart, marking (T0367)C77.CB as missing WARNING: atoms too close: (T0367)D75.CB and (T0367)C77.CB only 0.000 apart, marking (T0367)C77.CB as missing WARNING: atoms too close: (T0367)D74.CB and (T0367)C77.CB only 0.000 apart, marking (T0367)C77.CB as missing WARNING: atoms too close: (T0367)S73.CB and (T0367)C77.CB only 0.000 apart, marking (T0367)C77.CB as missing WARNING: atoms too close: (T0367)L72.CB and (T0367)C77.CB only 0.000 apart, marking (T0367)C77.CB as missing WARNING: atoms too close: (T0367)R29.CB and (T0367)C77.CB only 0.000 apart, marking (T0367)C77.CB as missing WARNING: atoms too close: (T0367)E28.CB and (T0367)C77.CB only 0.000 apart, marking (T0367)C77.CB as missing WARNING: atoms too close: (T0367)Y27.CB and (T0367)C77.CB only 0.000 apart, marking (T0367)C77.CB as missing WARNING: atoms too close: (T0367)L26.CB and (T0367)C77.CB only 0.000 apart, marking (T0367)C77.CB as missing WARNING: atoms too close: (T0367)M24.CB and (T0367)C77.CB only 0.000 apart, marking (T0367)C77.CB as missing WARNING: atoms too close: (T0367)D76.O and (T0367)C77.O only 0.000 apart, marking (T0367)C77.O as missing WARNING: atoms too close: (T0367)D75.O and (T0367)C77.O only 0.000 apart, marking (T0367)C77.O as missing WARNING: atoms too close: (T0367)D74.O and (T0367)C77.O only 0.000 apart, marking (T0367)C77.O as missing WARNING: atoms too close: (T0367)S73.O and (T0367)C77.O only 0.000 apart, marking (T0367)C77.O as missing WARNING: atoms too close: (T0367)L72.O and (T0367)C77.O only 0.000 apart, marking (T0367)C77.O as missing WARNING: atoms too close: (T0367)R29.O and (T0367)C77.O only 0.000 apart, marking (T0367)C77.O as missing WARNING: atoms too close: (T0367)E28.O and (T0367)C77.O only 0.000 apart, marking (T0367)C77.O as missing WARNING: atoms too close: (T0367)Y27.O and (T0367)C77.O only 0.000 apart, marking (T0367)C77.O as missing WARNING: atoms too close: (T0367)L26.O and (T0367)C77.O only 0.000 apart, marking (T0367)C77.O as missing WARNING: atoms too close: (T0367)G25.O and (T0367)C77.O only 0.000 apart, marking (T0367)C77.O as missing WARNING: atoms too close: (T0367)M24.O and (T0367)C77.O only 0.000 apart, marking (T0367)C77.O as missing WARNING: atoms too close: (T0367)D76.C and (T0367)C77.C only 0.000 apart, marking (T0367)C77.C as missing WARNING: atoms too close: (T0367)D75.C and (T0367)C77.C only 0.000 apart, marking (T0367)C77.C as missing WARNING: atoms too close: (T0367)D74.C and (T0367)C77.C only 0.000 apart, marking (T0367)C77.C as missing WARNING: atoms too close: (T0367)S73.C and (T0367)C77.C only 0.000 apart, marking (T0367)C77.C as missing WARNING: atoms too close: (T0367)L72.C and (T0367)C77.C only 0.000 apart, marking (T0367)C77.C as missing WARNING: atoms too close: (T0367)R29.C and (T0367)C77.C only 0.000 apart, marking (T0367)C77.C as missing WARNING: atoms too close: (T0367)E28.C and (T0367)C77.C only 0.000 apart, marking (T0367)C77.C as missing WARNING: atoms too close: (T0367)Y27.C and (T0367)C77.C only 0.000 apart, marking (T0367)C77.C as missing WARNING: atoms too close: (T0367)L26.C and (T0367)C77.C only 0.000 apart, marking (T0367)C77.C as missing WARNING: atoms too close: (T0367)G25.C and (T0367)C77.C only 0.000 apart, marking (T0367)C77.C as missing WARNING: atoms too close: (T0367)M24.C and (T0367)C77.C only 0.000 apart, marking (T0367)C77.C as missing WARNING: atoms too close: (T0367)C77.N and (T0367)S78.N only 0.000 apart, marking (T0367)C77.N as missing WARNING: atoms too close: (T0367)D76.N and (T0367)S78.N only 0.000 apart, marking (T0367)D76.N as missing WARNING: atoms too close: (T0367)D75.N and (T0367)S78.N only 0.000 apart, marking (T0367)D75.N as missing WARNING: atoms too close: (T0367)D74.N and (T0367)S78.N only 0.000 apart, marking (T0367)D74.N as missing WARNING: atoms too close: (T0367)S73.N and (T0367)S78.N only 0.000 apart, marking (T0367)S73.N as missing WARNING: atoms too close: (T0367)L72.N and (T0367)S78.N only 0.000 apart, marking (T0367)L72.N as missing WARNING: atoms too close: (T0367)R29.N and (T0367)S78.N only 0.000 apart, marking (T0367)R29.N as missing WARNING: atoms too close: (T0367)E28.N and (T0367)S78.N only 0.000 apart, marking (T0367)E28.N as missing WARNING: atoms too close: (T0367)Y27.N and (T0367)S78.N only 0.000 apart, marking (T0367)Y27.N as missing WARNING: atoms too close: (T0367)L26.N and (T0367)S78.N only 0.000 apart, marking (T0367)L26.N as missing WARNING: atoms too close: (T0367)G25.N and (T0367)S78.N only 0.000 apart, marking (T0367)G25.N as missing WARNING: atoms too close: (T0367)M24.N and (T0367)S78.N only 0.000 apart, marking (T0367)S78.N as missing WARNING: atoms too close: (T0367)C77.CA and (T0367)S78.CA only 0.000 apart, marking (T0367)S78.CA as missing WARNING: atoms too close: (T0367)D76.CA and (T0367)S78.CA only 0.000 apart, marking (T0367)S78.CA as missing WARNING: atoms too close: (T0367)D75.CA and (T0367)S78.CA only 0.000 apart, marking (T0367)S78.CA as missing WARNING: atoms too close: (T0367)D74.CA and (T0367)S78.CA only 0.000 apart, marking (T0367)S78.CA as missing WARNING: atoms too close: (T0367)S73.CA and (T0367)S78.CA only 0.000 apart, marking (T0367)S78.CA as missing WARNING: atoms too close: (T0367)L72.CA and (T0367)S78.CA only 0.000 apart, marking (T0367)S78.CA as missing WARNING: atoms too close: (T0367)R29.CA and (T0367)S78.CA only 0.000 apart, marking (T0367)S78.CA as missing WARNING: atoms too close: (T0367)E28.CA and (T0367)S78.CA only 0.000 apart, marking (T0367)S78.CA as missing WARNING: atoms too close: (T0367)Y27.CA and (T0367)S78.CA only 0.000 apart, marking (T0367)S78.CA as missing WARNING: atoms too close: (T0367)L26.CA and (T0367)S78.CA only 0.000 apart, marking (T0367)S78.CA as missing WARNING: atoms too close: (T0367)G25.CA and (T0367)S78.CA only 0.000 apart, marking (T0367)S78.CA as missing WARNING: atoms too close: (T0367)M24.CA and (T0367)S78.CA only 0.000 apart, marking (T0367)S78.CA as missing WARNING: atoms too close: (T0367)C77.CB and (T0367)S78.CB only 0.000 apart, marking (T0367)S78.CB as missing WARNING: atoms too close: (T0367)D76.CB and (T0367)S78.CB only 0.000 apart, marking (T0367)S78.CB as missing WARNING: atoms too close: (T0367)D75.CB and (T0367)S78.CB only 0.000 apart, marking (T0367)S78.CB as missing WARNING: atoms too close: (T0367)D74.CB and (T0367)S78.CB only 0.000 apart, marking (T0367)S78.CB as missing WARNING: atoms too close: (T0367)S73.CB and (T0367)S78.CB only 0.000 apart, marking (T0367)S78.CB as missing WARNING: atoms too close: (T0367)L72.CB and (T0367)S78.CB only 0.000 apart, marking (T0367)S78.CB as missing WARNING: atoms too close: (T0367)R29.CB and (T0367)S78.CB only 0.000 apart, marking (T0367)S78.CB as missing WARNING: atoms too close: (T0367)E28.CB and (T0367)S78.CB only 0.000 apart, marking (T0367)S78.CB as missing WARNING: atoms too close: (T0367)Y27.CB and (T0367)S78.CB only 0.000 apart, marking (T0367)S78.CB as missing WARNING: atoms too close: (T0367)L26.CB and (T0367)S78.CB only 0.000 apart, marking (T0367)S78.CB as missing WARNING: atoms too close: (T0367)M24.CB and (T0367)S78.CB only 0.000 apart, marking (T0367)S78.CB as missing WARNING: atoms too close: (T0367)C77.O and (T0367)S78.O only 0.000 apart, marking (T0367)S78.O as missing WARNING: atoms too close: (T0367)D76.O and (T0367)S78.O only 0.000 apart, marking (T0367)S78.O as missing WARNING: atoms too close: (T0367)D75.O and (T0367)S78.O only 0.000 apart, marking (T0367)S78.O as missing WARNING: atoms too close: (T0367)D74.O and (T0367)S78.O only 0.000 apart, marking (T0367)S78.O as missing WARNING: atoms too close: (T0367)S73.O and (T0367)S78.O only 0.000 apart, marking (T0367)S78.O as missing WARNING: atoms too close: (T0367)L72.O and (T0367)S78.O only 0.000 apart, marking (T0367)S78.O as missing WARNING: atoms too close: (T0367)R29.O and (T0367)S78.O only 0.000 apart, marking (T0367)S78.O as missing WARNING: atoms too close: (T0367)E28.O and (T0367)S78.O only 0.000 apart, marking (T0367)S78.O as missing WARNING: atoms too close: (T0367)Y27.O and (T0367)S78.O only 0.000 apart, marking (T0367)S78.O as missing WARNING: atoms too close: (T0367)L26.O and (T0367)S78.O only 0.000 apart, marking (T0367)S78.O as missing WARNING: atoms too close: (T0367)G25.O and (T0367)S78.O only 0.000 apart, marking (T0367)S78.O as missing WARNING: atoms too close: (T0367)M24.O and (T0367)S78.O only 0.000 apart, marking (T0367)S78.O as missing WARNING: atoms too close: (T0367)C77.C and (T0367)S78.C only 0.000 apart, marking (T0367)S78.C as missing WARNING: atoms too close: (T0367)D76.C and (T0367)S78.C only 0.000 apart, marking (T0367)S78.C as missing WARNING: atoms too close: (T0367)D75.C and (T0367)S78.C only 0.000 apart, marking (T0367)S78.C as missing WARNING: atoms too close: (T0367)D74.C and (T0367)S78.C only 0.000 apart, marking (T0367)S78.C as missing WARNING: atoms too close: (T0367)S73.C and (T0367)S78.C only 0.000 apart, marking (T0367)S78.C as missing WARNING: atoms too close: (T0367)L72.C and (T0367)S78.C only 0.000 apart, marking (T0367)S78.C as missing WARNING: atoms too close: (T0367)R29.C and (T0367)S78.C only 0.000 apart, marking (T0367)S78.C as missing WARNING: atoms too close: (T0367)E28.C and (T0367)S78.C only 0.000 apart, marking (T0367)S78.C as missing WARNING: atoms too close: (T0367)Y27.C and (T0367)S78.C only 0.000 apart, marking (T0367)S78.C as missing WARNING: atoms too close: (T0367)L26.C and (T0367)S78.C only 0.000 apart, marking (T0367)S78.C as missing WARNING: atoms too close: (T0367)G25.C and (T0367)S78.C only 0.000 apart, marking (T0367)S78.C as missing WARNING: atoms too close: (T0367)M24.C and (T0367)S78.C only 0.000 apart, marking (T0367)S78.C as missing WARNING: atoms too close: (T0367)S78.N and (T0367)K79.N only 0.000 apart, marking (T0367)S78.N as missing WARNING: atoms too close: (T0367)C77.N and (T0367)K79.N only 0.000 apart, marking (T0367)C77.N as missing WARNING: atoms too close: (T0367)D76.N and (T0367)K79.N only 0.000 apart, marking (T0367)D76.N as missing WARNING: atoms too close: (T0367)D75.N and (T0367)K79.N only 0.000 apart, marking (T0367)D75.N as missing WARNING: atoms too close: (T0367)D74.N and (T0367)K79.N only 0.000 apart, marking (T0367)D74.N as missing WARNING: atoms too close: (T0367)S73.N and (T0367)K79.N only 0.000 apart, marking (T0367)S73.N as missing WARNING: atoms too close: (T0367)L72.N and (T0367)K79.N only 0.000 apart, marking (T0367)L72.N as missing WARNING: atoms too close: (T0367)R29.N and (T0367)K79.N only 0.000 apart, marking (T0367)R29.N as missing WARNING: atoms too close: (T0367)E28.N and (T0367)K79.N only 0.000 apart, marking (T0367)E28.N as missing WARNING: atoms too close: (T0367)Y27.N and (T0367)K79.N only 0.000 apart, marking (T0367)Y27.N as missing WARNING: atoms too close: (T0367)L26.N and (T0367)K79.N only 0.000 apart, marking (T0367)L26.N as missing WARNING: atoms too close: (T0367)G25.N and (T0367)K79.N only 0.000 apart, marking (T0367)G25.N as missing WARNING: atoms too close: (T0367)M24.N and (T0367)K79.N only 0.000 apart, marking (T0367)K79.N as missing WARNING: atoms too close: (T0367)S78.CA and (T0367)K79.CA only 0.000 apart, marking (T0367)K79.CA as missing WARNING: atoms too close: (T0367)C77.CA and (T0367)K79.CA only 0.000 apart, marking (T0367)K79.CA as missing WARNING: atoms too close: (T0367)D76.CA and (T0367)K79.CA only 0.000 apart, marking (T0367)K79.CA as missing WARNING: atoms too close: (T0367)D75.CA and (T0367)K79.CA only 0.000 apart, marking (T0367)K79.CA as missing WARNING: atoms too close: (T0367)D74.CA and (T0367)K79.CA only 0.000 apart, marking (T0367)K79.CA as missing WARNING: atoms too close: (T0367)S73.CA and (T0367)K79.CA only 0.000 apart, marking (T0367)K79.CA as missing WARNING: atoms too close: (T0367)L72.CA and (T0367)K79.CA only 0.000 apart, marking (T0367)K79.CA as missing WARNING: atoms too close: (T0367)R29.CA and (T0367)K79.CA only 0.000 apart, marking (T0367)K79.CA as missing WARNING: atoms too close: (T0367)E28.CA and (T0367)K79.CA only 0.000 apart, marking (T0367)K79.CA as missing WARNING: atoms too close: (T0367)Y27.CA and (T0367)K79.CA only 0.000 apart, marking (T0367)K79.CA as missing WARNING: atoms too close: (T0367)L26.CA and (T0367)K79.CA only 0.000 apart, marking (T0367)K79.CA as missing WARNING: atoms too close: (T0367)G25.CA and (T0367)K79.CA only 0.000 apart, marking (T0367)K79.CA as missing WARNING: atoms too close: (T0367)M24.CA and (T0367)K79.CA only 0.000 apart, marking (T0367)K79.CA as missing WARNING: atoms too close: (T0367)S78.CB and (T0367)K79.CB only 0.000 apart, marking (T0367)K79.CB as missing WARNING: atoms too close: (T0367)C77.CB and (T0367)K79.CB only 0.000 apart, marking (T0367)K79.CB as missing WARNING: atoms too close: (T0367)D76.CB and (T0367)K79.CB only 0.000 apart, marking (T0367)K79.CB as missing WARNING: atoms too close: (T0367)D75.CB and (T0367)K79.CB only 0.000 apart, marking (T0367)K79.CB as missing WARNING: atoms too close: (T0367)D74.CB and (T0367)K79.CB only 0.000 apart, marking (T0367)K79.CB as missing WARNING: atoms too close: (T0367)S73.CB and (T0367)K79.CB only 0.000 apart, marking (T0367)K79.CB as missing WARNING: atoms too close: (T0367)L72.CB and (T0367)K79.CB only 0.000 apart, marking (T0367)K79.CB as missing WARNING: atoms too close: (T0367)R29.CB and (T0367)K79.CB only 0.000 apart, marking (T0367)K79.CB as missing WARNING: atoms too close: (T0367)E28.CB and (T0367)K79.CB only 0.000 apart, marking (T0367)K79.CB as missing WARNING: atoms too close: (T0367)Y27.CB and (T0367)K79.CB only 0.000 apart, marking (T0367)K79.CB as missing WARNING: atoms too close: (T0367)L26.CB and (T0367)K79.CB only 0.000 apart, marking (T0367)K79.CB as missing WARNING: atoms too close: (T0367)M24.CB and (T0367)K79.CB only 0.000 apart, marking (T0367)K79.CB as missing WARNING: atoms too close: (T0367)S78.O and (T0367)K79.O only 0.000 apart, marking (T0367)K79.O as missing WARNING: atoms too close: (T0367)C77.O and (T0367)K79.O only 0.000 apart, marking (T0367)K79.O as missing WARNING: atoms too close: (T0367)D76.O and (T0367)K79.O only 0.000 apart, marking (T0367)K79.O as missing WARNING: atoms too close: (T0367)D75.O and (T0367)K79.O only 0.000 apart, marking (T0367)K79.O as missing WARNING: atoms too close: (T0367)D74.O and (T0367)K79.O only 0.000 apart, marking (T0367)K79.O as missing WARNING: atoms too close: (T0367)S73.O and (T0367)K79.O only 0.000 apart, marking (T0367)K79.O as missing WARNING: atoms too close: (T0367)L72.O and (T0367)K79.O only 0.000 apart, marking (T0367)K79.O as missing WARNING: atoms too close: (T0367)R29.O and (T0367)K79.O only 0.000 apart, marking (T0367)K79.O as missing WARNING: atoms too close: (T0367)E28.O and (T0367)K79.O only 0.000 apart, marking (T0367)K79.O as missing WARNING: atoms too close: (T0367)Y27.O and (T0367)K79.O only 0.000 apart, marking (T0367)K79.O as missing WARNING: atoms too close: (T0367)L26.O and (T0367)K79.O only 0.000 apart, marking (T0367)K79.O as missing WARNING: atoms too close: (T0367)G25.O and (T0367)K79.O only 0.000 apart, marking (T0367)K79.O as missing WARNING: atoms too close: (T0367)M24.O and (T0367)K79.O only 0.000 apart, marking (T0367)K79.O as missing WARNING: atoms too close: (T0367)S78.C and (T0367)K79.C only 0.000 apart, marking (T0367)K79.C as missing WARNING: atoms too close: (T0367)C77.C and (T0367)K79.C only 0.000 apart, marking (T0367)K79.C as missing WARNING: atoms too close: (T0367)D76.C and (T0367)K79.C only 0.000 apart, marking (T0367)K79.C as missing WARNING: atoms too close: (T0367)D75.C and (T0367)K79.C only 0.000 apart, marking (T0367)K79.C as missing WARNING: atoms too close: (T0367)D74.C and (T0367)K79.C only 0.000 apart, marking (T0367)K79.C as missing WARNING: atoms too close: (T0367)S73.C and (T0367)K79.C only 0.000 apart, marking (T0367)K79.C as missing WARNING: atoms too close: (T0367)L72.C and (T0367)K79.C only 0.000 apart, marking (T0367)K79.C as missing WARNING: atoms too close: (T0367)R29.C and (T0367)K79.C only 0.000 apart, marking (T0367)K79.C as missing WARNING: atoms too close: (T0367)E28.C and (T0367)K79.C only 0.000 apart, marking (T0367)K79.C as missing WARNING: atoms too close: (T0367)Y27.C and (T0367)K79.C only 0.000 apart, marking (T0367)K79.C as missing WARNING: atoms too close: (T0367)L26.C and (T0367)K79.C only 0.000 apart, marking (T0367)K79.C as missing WARNING: atoms too close: (T0367)G25.C and (T0367)K79.C only 0.000 apart, marking (T0367)K79.C as missing WARNING: atoms too close: (T0367)M24.C and (T0367)K79.C only 0.000 apart, marking (T0367)K79.C as missing WARNING: atoms too close: (T0367)K79.N and (T0367)L80.N only 0.000 apart, marking (T0367)K79.N as missing WARNING: atoms too close: (T0367)S78.N and (T0367)L80.N only 0.000 apart, marking (T0367)S78.N as missing WARNING: atoms too close: (T0367)C77.N and (T0367)L80.N only 0.000 apart, marking (T0367)C77.N as missing WARNING: atoms too close: (T0367)D76.N and (T0367)L80.N only 0.000 apart, marking (T0367)D76.N as missing WARNING: atoms too close: (T0367)D75.N and (T0367)L80.N only 0.000 apart, marking (T0367)D75.N as missing WARNING: atoms too close: (T0367)D74.N and (T0367)L80.N only 0.000 apart, marking (T0367)D74.N as missing WARNING: atoms too close: (T0367)S73.N and (T0367)L80.N only 0.000 apart, marking (T0367)S73.N as missing WARNING: atoms too close: (T0367)L72.N and (T0367)L80.N only 0.000 apart, marking (T0367)L72.N as missing WARNING: atoms too close: (T0367)R29.N and (T0367)L80.N only 0.000 apart, marking (T0367)R29.N as missing WARNING: atoms too close: (T0367)E28.N and (T0367)L80.N only 0.000 apart, marking (T0367)E28.N as missing WARNING: atoms too close: (T0367)Y27.N and (T0367)L80.N only 0.000 apart, marking (T0367)Y27.N as missing WARNING: atoms too close: (T0367)L26.N and (T0367)L80.N only 0.000 apart, marking (T0367)L26.N as missing WARNING: atoms too close: (T0367)G25.N and (T0367)L80.N only 0.000 apart, marking (T0367)G25.N as missing WARNING: atoms too close: (T0367)M24.N and (T0367)L80.N only 0.000 apart, marking (T0367)L80.N as missing WARNING: atoms too close: (T0367)K79.CA and (T0367)L80.CA only 0.000 apart, marking (T0367)L80.CA as missing WARNING: atoms too close: (T0367)S78.CA and (T0367)L80.CA only 0.000 apart, marking (T0367)L80.CA as missing WARNING: atoms too close: (T0367)C77.CA and (T0367)L80.CA only 0.000 apart, marking (T0367)L80.CA as missing WARNING: atoms too close: (T0367)D76.CA and (T0367)L80.CA only 0.000 apart, marking (T0367)L80.CA as missing WARNING: atoms too close: (T0367)D75.CA and (T0367)L80.CA only 0.000 apart, marking (T0367)L80.CA as missing WARNING: atoms too close: (T0367)D74.CA and (T0367)L80.CA only 0.000 apart, marking (T0367)L80.CA as missing WARNING: atoms too close: (T0367)S73.CA and (T0367)L80.CA only 0.000 apart, marking (T0367)L80.CA as missing WARNING: atoms too close: (T0367)L72.CA and (T0367)L80.CA only 0.000 apart, marking (T0367)L80.CA as missing WARNING: atoms too close: (T0367)R29.CA and (T0367)L80.CA only 0.000 apart, marking (T0367)L80.CA as missing WARNING: atoms too close: (T0367)E28.CA and (T0367)L80.CA only 0.000 apart, marking (T0367)L80.CA as missing WARNING: atoms too close: (T0367)Y27.CA and (T0367)L80.CA only 0.000 apart, marking (T0367)L80.CA as missing WARNING: atoms too close: (T0367)L26.CA and (T0367)L80.CA only 0.000 apart, marking (T0367)L80.CA as missing WARNING: atoms too close: (T0367)G25.CA and (T0367)L80.CA only 0.000 apart, marking (T0367)L80.CA as missing WARNING: atoms too close: (T0367)M24.CA and (T0367)L80.CA only 0.000 apart, marking (T0367)L80.CA as missing WARNING: atoms too close: (T0367)K79.CB and (T0367)L80.CB only 0.000 apart, marking (T0367)L80.CB as missing WARNING: atoms too close: (T0367)S78.CB and (T0367)L80.CB only 0.000 apart, marking (T0367)L80.CB as missing WARNING: atoms too close: (T0367)C77.CB and (T0367)L80.CB only 0.000 apart, marking (T0367)L80.CB as missing WARNING: atoms too close: (T0367)D76.CB and (T0367)L80.CB only 0.000 apart, marking (T0367)L80.CB as missing WARNING: atoms too close: (T0367)D75.CB and (T0367)L80.CB only 0.000 apart, marking (T0367)L80.CB as missing WARNING: atoms too close: (T0367)D74.CB and (T0367)L80.CB only 0.000 apart, marking (T0367)L80.CB as missing WARNING: atoms too close: (T0367)S73.CB and (T0367)L80.CB only 0.000 apart, marking (T0367)L80.CB as missing WARNING: atoms too close: (T0367)L72.CB and (T0367)L80.CB only 0.000 apart, marking (T0367)L80.CB as missing WARNING: atoms too close: (T0367)R29.CB and (T0367)L80.CB only 0.000 apart, marking (T0367)L80.CB as missing WARNING: atoms too close: (T0367)E28.CB and (T0367)L80.CB only 0.000 apart, marking (T0367)L80.CB as missing WARNING: atoms too close: (T0367)Y27.CB and (T0367)L80.CB only 0.000 apart, marking (T0367)L80.CB as missing WARNING: atoms too close: (T0367)L26.CB and (T0367)L80.CB only 0.000 apart, marking (T0367)L80.CB as missing WARNING: atoms too close: (T0367)M24.CB and (T0367)L80.CB only 0.000 apart, marking (T0367)L80.CB as missing WARNING: atoms too close: (T0367)K79.O and (T0367)L80.O only 0.000 apart, marking (T0367)L80.O as missing WARNING: atoms too close: (T0367)S78.O and (T0367)L80.O only 0.000 apart, marking (T0367)L80.O as missing WARNING: atoms too close: (T0367)C77.O and (T0367)L80.O only 0.000 apart, marking (T0367)L80.O as missing WARNING: atoms too close: (T0367)D76.O and (T0367)L80.O only 0.000 apart, marking (T0367)L80.O as missing WARNING: atoms too close: (T0367)D75.O and (T0367)L80.O only 0.000 apart, marking (T0367)L80.O as missing WARNING: atoms too close: (T0367)D74.O and (T0367)L80.O only 0.000 apart, marking (T0367)L80.O as missing WARNING: atoms too close: (T0367)S73.O and (T0367)L80.O only 0.000 apart, marking (T0367)L80.O as missing WARNING: atoms too close: (T0367)L72.O and (T0367)L80.O only 0.000 apart, marking (T0367)L80.O as missing WARNING: atoms too close: (T0367)R29.O and (T0367)L80.O only 0.000 apart, marking (T0367)L80.O as missing WARNING: atoms too close: (T0367)E28.O and (T0367)L80.O only 0.000 apart, marking (T0367)L80.O as missing WARNING: atoms too close: (T0367)Y27.O and (T0367)L80.O only 0.000 apart, marking (T0367)L80.O as missing WARNING: atoms too close: (T0367)L26.O and (T0367)L80.O only 0.000 apart, marking (T0367)L80.O as missing WARNING: atoms too close: (T0367)G25.O and (T0367)L80.O only 0.000 apart, marking (T0367)L80.O as missing WARNING: atoms too close: (T0367)M24.O and (T0367)L80.O only 0.000 apart, marking (T0367)L80.O as missing WARNING: atoms too close: (T0367)K79.C and (T0367)L80.C only 0.000 apart, marking (T0367)L80.C as missing WARNING: atoms too close: (T0367)S78.C and (T0367)L80.C only 0.000 apart, marking (T0367)L80.C as missing WARNING: atoms too close: (T0367)C77.C and (T0367)L80.C only 0.000 apart, marking (T0367)L80.C as missing WARNING: atoms too close: (T0367)D76.C and (T0367)L80.C only 0.000 apart, marking (T0367)L80.C as missing WARNING: atoms too close: (T0367)D75.C and (T0367)L80.C only 0.000 apart, marking (T0367)L80.C as missing WARNING: atoms too close: (T0367)D74.C and (T0367)L80.C only 0.000 apart, marking (T0367)L80.C as missing WARNING: atoms too close: (T0367)S73.C and (T0367)L80.C only 0.000 apart, marking (T0367)L80.C as missing WARNING: atoms too close: (T0367)L72.C and (T0367)L80.C only 0.000 apart, marking (T0367)L80.C as missing WARNING: atoms too close: (T0367)R29.C and (T0367)L80.C only 0.000 apart, marking (T0367)L80.C as missing WARNING: atoms too close: (T0367)E28.C and (T0367)L80.C only 0.000 apart, marking (T0367)L80.C as missing WARNING: atoms too close: (T0367)Y27.C and (T0367)L80.C only 0.000 apart, marking (T0367)L80.C as missing WARNING: atoms too close: (T0367)L26.C and (T0367)L80.C only 0.000 apart, marking (T0367)L80.C as missing WARNING: atoms too close: (T0367)G25.C and (T0367)L80.C only 0.000 apart, marking (T0367)L80.C as missing WARNING: atoms too close: (T0367)M24.C and (T0367)L80.C only 0.000 apart, marking (T0367)L80.C as missing WARNING: atoms too close: (T0367)L80.N and (T0367)S81.N only 0.000 apart, marking (T0367)L80.N as missing WARNING: atoms too close: (T0367)K79.N and (T0367)S81.N only 0.000 apart, marking (T0367)K79.N as missing WARNING: atoms too close: (T0367)S78.N and (T0367)S81.N only 0.000 apart, marking (T0367)S78.N as missing WARNING: atoms too close: (T0367)C77.N and (T0367)S81.N only 0.000 apart, marking (T0367)C77.N as missing WARNING: atoms too close: (T0367)D76.N and (T0367)S81.N only 0.000 apart, marking (T0367)D76.N as missing WARNING: atoms too close: (T0367)D75.N and (T0367)S81.N only 0.000 apart, marking (T0367)D75.N as missing WARNING: atoms too close: (T0367)D74.N and (T0367)S81.N only 0.000 apart, marking (T0367)D74.N as missing WARNING: atoms too close: (T0367)S73.N and (T0367)S81.N only 0.000 apart, marking (T0367)S73.N as missing WARNING: atoms too close: (T0367)L72.N and (T0367)S81.N only 0.000 apart, marking (T0367)L72.N as missing WARNING: atoms too close: (T0367)R29.N and (T0367)S81.N only 0.000 apart, marking (T0367)R29.N as missing WARNING: atoms too close: (T0367)E28.N and (T0367)S81.N only 0.000 apart, marking (T0367)E28.N as missing WARNING: atoms too close: (T0367)Y27.N and (T0367)S81.N only 0.000 apart, marking (T0367)Y27.N as missing WARNING: atoms too close: (T0367)L26.N and (T0367)S81.N only 0.000 apart, marking (T0367)L26.N as missing WARNING: atoms too close: (T0367)G25.N and (T0367)S81.N only 0.000 apart, marking (T0367)G25.N as missing WARNING: atoms too close: (T0367)M24.N and (T0367)S81.N only 0.000 apart, marking (T0367)S81.N as missing WARNING: atoms too close: (T0367)L80.CA and (T0367)S81.CA only 0.000 apart, marking (T0367)S81.CA as missing WARNING: atoms too close: (T0367)K79.CA and (T0367)S81.CA only 0.000 apart, marking (T0367)S81.CA as missing WARNING: atoms too close: (T0367)S78.CA and (T0367)S81.CA only 0.000 apart, marking (T0367)S81.CA as missing WARNING: atoms too close: (T0367)C77.CA and (T0367)S81.CA only 0.000 apart, marking (T0367)S81.CA as missing WARNING: atoms too close: (T0367)D76.CA and (T0367)S81.CA only 0.000 apart, marking (T0367)S81.CA as missing WARNING: atoms too close: (T0367)D75.CA and (T0367)S81.CA only 0.000 apart, marking (T0367)S81.CA as missing WARNING: atoms too close: (T0367)D74.CA and (T0367)S81.CA only 0.000 apart, marking (T0367)S81.CA as missing WARNING: atoms too close: (T0367)S73.CA and (T0367)S81.CA only 0.000 apart, marking (T0367)S81.CA as missing WARNING: atoms too close: (T0367)L72.CA and (T0367)S81.CA only 0.000 apart, marking (T0367)S81.CA as missing WARNING: atoms too close: (T0367)R29.CA and (T0367)S81.CA only 0.000 apart, marking (T0367)S81.CA as missing WARNING: atoms too close: (T0367)E28.CA and (T0367)S81.CA only 0.000 apart, marking (T0367)S81.CA as missing WARNING: atoms too close: (T0367)Y27.CA and (T0367)S81.CA only 0.000 apart, marking (T0367)S81.CA as missing WARNING: atoms too close: (T0367)L26.CA and (T0367)S81.CA only 0.000 apart, marking (T0367)S81.CA as missing WARNING: atoms too close: (T0367)G25.CA and (T0367)S81.CA only 0.000 apart, marking (T0367)S81.CA as missing WARNING: atoms too close: (T0367)M24.CA and (T0367)S81.CA only 0.000 apart, marking (T0367)S81.CA as missing WARNING: atoms too close: (T0367)L80.CB and (T0367)S81.CB only 0.000 apart, marking (T0367)S81.CB as missing WARNING: atoms too close: (T0367)K79.CB and (T0367)S81.CB only 0.000 apart, marking (T0367)S81.CB as missing WARNING: atoms too close: (T0367)S78.CB and (T0367)S81.CB only 0.000 apart, marking (T0367)S81.CB as missing WARNING: atoms too close: (T0367)C77.CB and (T0367)S81.CB only 0.000 apart, marking (T0367)S81.CB as missing WARNING: atoms too close: (T0367)D76.CB and (T0367)S81.CB only 0.000 apart, marking (T0367)S81.CB as missing WARNING: atoms too close: (T0367)D75.CB and (T0367)S81.CB only 0.000 apart, marking (T0367)S81.CB as missing WARNING: atoms too close: (T0367)D74.CB and (T0367)S81.CB only 0.000 apart, marking (T0367)S81.CB as missing WARNING: atoms too close: (T0367)S73.CB and (T0367)S81.CB only 0.000 apart, marking (T0367)S81.CB as missing WARNING: atoms too close: (T0367)L72.CB and (T0367)S81.CB only 0.000 apart, marking (T0367)S81.CB as missing WARNING: atoms too close: (T0367)R29.CB and (T0367)S81.CB only 0.000 apart, marking (T0367)S81.CB as missing WARNING: atoms too close: (T0367)E28.CB and (T0367)S81.CB only 0.000 apart, marking (T0367)S81.CB as missing WARNING: atoms too close: (T0367)Y27.CB and (T0367)S81.CB only 0.000 apart, marking (T0367)S81.CB as missing WARNING: atoms too close: (T0367)L26.CB and (T0367)S81.CB only 0.000 apart, marking (T0367)S81.CB as missing WARNING: atoms too close: (T0367)M24.CB and (T0367)S81.CB only 0.000 apart, marking (T0367)S81.CB as missing WARNING: atoms too close: (T0367)L80.O and (T0367)S81.O only 0.000 apart, marking (T0367)S81.O as missing WARNING: atoms too close: (T0367)K79.O and (T0367)S81.O only 0.000 apart, marking (T0367)S81.O as missing WARNING: atoms too close: (T0367)S78.O and (T0367)S81.O only 0.000 apart, marking (T0367)S81.O as missing WARNING: atoms too close: (T0367)C77.O and (T0367)S81.O only 0.000 apart, marking (T0367)S81.O as missing WARNING: atoms too close: (T0367)D76.O and (T0367)S81.O only 0.000 apart, marking (T0367)S81.O as missing WARNING: atoms too close: (T0367)D75.O and (T0367)S81.O only 0.000 apart, marking (T0367)S81.O as missing WARNING: atoms too close: (T0367)D74.O and (T0367)S81.O only 0.000 apart, marking (T0367)S81.O as missing WARNING: atoms too close: (T0367)S73.O and (T0367)S81.O only 0.000 apart, marking (T0367)S81.O as missing WARNING: atoms too close: (T0367)L72.O and (T0367)S81.O only 0.000 apart, marking (T0367)S81.O as missing WARNING: atoms too close: (T0367)R29.O and (T0367)S81.O only 0.000 apart, marking (T0367)S81.O as missing WARNING: atoms too close: (T0367)E28.O and (T0367)S81.O only 0.000 apart, marking (T0367)S81.O as missing WARNING: atoms too close: (T0367)Y27.O and (T0367)S81.O only 0.000 apart, marking (T0367)S81.O as missing WARNING: atoms too close: (T0367)L26.O and (T0367)S81.O only 0.000 apart, marking (T0367)S81.O as missing WARNING: atoms too close: (T0367)G25.O and (T0367)S81.O only 0.000 apart, marking (T0367)S81.O as missing WARNING: atoms too close: (T0367)M24.O and (T0367)S81.O only 0.000 apart, marking (T0367)S81.O as missing WARNING: atoms too close: (T0367)L80.C and (T0367)S81.C only 0.000 apart, marking (T0367)S81.C as missing WARNING: atoms too close: (T0367)K79.C and (T0367)S81.C only 0.000 apart, marking (T0367)S81.C as missing WARNING: atoms too close: (T0367)S78.C and (T0367)S81.C only 0.000 apart, marking (T0367)S81.C as missing WARNING: atoms too close: (T0367)C77.C and (T0367)S81.C only 0.000 apart, marking (T0367)S81.C as missing WARNING: atoms too close: (T0367)D76.C and (T0367)S81.C only 0.000 apart, marking (T0367)S81.C as missing WARNING: atoms too close: (T0367)D75.C and (T0367)S81.C only 0.000 apart, marking (T0367)S81.C as missing WARNING: atoms too close: (T0367)D74.C and (T0367)S81.C only 0.000 apart, marking (T0367)S81.C as missing WARNING: atoms too close: (T0367)S73.C and (T0367)S81.C only 0.000 apart, marking (T0367)S81.C as missing WARNING: atoms too close: (T0367)L72.C and (T0367)S81.C only 0.000 apart, marking (T0367)S81.C as missing WARNING: atoms too close: (T0367)R29.C and (T0367)S81.C only 0.000 apart, marking (T0367)S81.C as missing WARNING: atoms too close: (T0367)E28.C and (T0367)S81.C only 0.000 apart, marking (T0367)S81.C as missing WARNING: atoms too close: (T0367)Y27.C and (T0367)S81.C only 0.000 apart, marking (T0367)S81.C as missing WARNING: atoms too close: (T0367)L26.C and (T0367)S81.C only 0.000 apart, marking (T0367)S81.C as missing WARNING: atoms too close: (T0367)G25.C and (T0367)S81.C only 0.000 apart, marking (T0367)S81.C as missing WARNING: atoms too close: (T0367)M24.C and (T0367)S81.C only 0.000 apart, marking (T0367)S81.C as missing WARNING: atoms too close: (T0367)S81.N and (T0367)R82.N only 0.000 apart, marking (T0367)S81.N as missing WARNING: atoms too close: (T0367)L80.N and (T0367)R82.N only 0.000 apart, marking (T0367)L80.N as missing WARNING: atoms too close: (T0367)K79.N and (T0367)R82.N only 0.000 apart, marking (T0367)K79.N as missing WARNING: atoms too close: (T0367)S78.N and (T0367)R82.N only 0.000 apart, marking (T0367)S78.N as missing WARNING: atoms too close: (T0367)C77.N and (T0367)R82.N only 0.000 apart, marking (T0367)C77.N as missing WARNING: atoms too close: (T0367)D76.N and (T0367)R82.N only 0.000 apart, marking (T0367)D76.N as missing WARNING: atoms too close: (T0367)D75.N and (T0367)R82.N only 0.000 apart, marking (T0367)D75.N as missing WARNING: atoms too close: (T0367)D74.N and (T0367)R82.N only 0.000 apart, marking (T0367)D74.N as missing WARNING: atoms too close: (T0367)S73.N and (T0367)R82.N only 0.000 apart, marking (T0367)S73.N as missing WARNING: atoms too close: (T0367)L72.N and (T0367)R82.N only 0.000 apart, marking (T0367)L72.N as missing WARNING: atoms too close: (T0367)R29.N and (T0367)R82.N only 0.000 apart, marking (T0367)R29.N as missing WARNING: atoms too close: (T0367)E28.N and (T0367)R82.N only 0.000 apart, marking (T0367)E28.N as missing WARNING: atoms too close: (T0367)Y27.N and (T0367)R82.N only 0.000 apart, marking (T0367)Y27.N as missing WARNING: atoms too close: (T0367)L26.N and (T0367)R82.N only 0.000 apart, marking (T0367)L26.N as missing WARNING: atoms too close: (T0367)G25.N and (T0367)R82.N only 0.000 apart, marking (T0367)G25.N as missing WARNING: atoms too close: (T0367)M24.N and (T0367)R82.N only 0.000 apart, marking (T0367)R82.N as missing WARNING: atoms too close: (T0367)S81.CA and (T0367)R82.CA only 0.000 apart, marking (T0367)R82.CA as missing WARNING: atoms too close: (T0367)L80.CA and (T0367)R82.CA only 0.000 apart, marking (T0367)R82.CA as missing WARNING: atoms too close: (T0367)K79.CA and (T0367)R82.CA only 0.000 apart, marking (T0367)R82.CA as missing WARNING: atoms too close: (T0367)S78.CA and (T0367)R82.CA only 0.000 apart, marking (T0367)R82.CA as missing WARNING: atoms too close: (T0367)C77.CA and (T0367)R82.CA only 0.000 apart, marking (T0367)R82.CA as missing WARNING: atoms too close: (T0367)D76.CA and (T0367)R82.CA only 0.000 apart, marking (T0367)R82.CA as missing WARNING: atoms too close: (T0367)D75.CA and (T0367)R82.CA only 0.000 apart, marking (T0367)R82.CA as missing WARNING: atoms too close: (T0367)D74.CA and (T0367)R82.CA only 0.000 apart, marking (T0367)R82.CA as missing WARNING: atoms too close: (T0367)S73.CA and (T0367)R82.CA only 0.000 apart, marking (T0367)R82.CA as missing WARNING: atoms too close: (T0367)L72.CA and (T0367)R82.CA only 0.000 apart, marking (T0367)R82.CA as missing WARNING: atoms too close: (T0367)R29.CA and (T0367)R82.CA only 0.000 apart, marking (T0367)R82.CA as missing WARNING: atoms too close: (T0367)E28.CA and (T0367)R82.CA only 0.000 apart, marking (T0367)R82.CA as missing WARNING: atoms too close: (T0367)Y27.CA and (T0367)R82.CA only 0.000 apart, marking (T0367)R82.CA as missing WARNING: atoms too close: (T0367)L26.CA and (T0367)R82.CA only 0.000 apart, marking (T0367)R82.CA as missing WARNING: atoms too close: (T0367)G25.CA and (T0367)R82.CA only 0.000 apart, marking (T0367)R82.CA as missing WARNING: atoms too close: (T0367)M24.CA and (T0367)R82.CA only 0.000 apart, marking (T0367)R82.CA as missing WARNING: atoms too close: (T0367)S81.CB and (T0367)R82.CB only 0.000 apart, marking (T0367)R82.CB as missing WARNING: atoms too close: (T0367)L80.CB and (T0367)R82.CB only 0.000 apart, marking (T0367)R82.CB as missing WARNING: atoms too close: (T0367)K79.CB and (T0367)R82.CB only 0.000 apart, marking (T0367)R82.CB as missing WARNING: atoms too close: (T0367)S78.CB and (T0367)R82.CB only 0.000 apart, marking (T0367)R82.CB as missing WARNING: atoms too close: (T0367)C77.CB and (T0367)R82.CB only 0.000 apart, marking (T0367)R82.CB as missing WARNING: atoms too close: (T0367)D76.CB and (T0367)R82.CB only 0.000 apart, marking (T0367)R82.CB as missing WARNING: atoms too close: (T0367)D75.CB and (T0367)R82.CB only 0.000 apart, marking (T0367)R82.CB as missing WARNING: atoms too close: (T0367)D74.CB and (T0367)R82.CB only 0.000 apart, marking (T0367)R82.CB as missing WARNING: atoms too close: (T0367)S73.CB and (T0367)R82.CB only 0.000 apart, marking (T0367)R82.CB as missing WARNING: atoms too close: (T0367)L72.CB and (T0367)R82.CB only 0.000 apart, marking (T0367)R82.CB as missing WARNING: atoms too close: (T0367)R29.CB and (T0367)R82.CB only 0.000 apart, marking (T0367)R82.CB as missing WARNING: atoms too close: (T0367)E28.CB and (T0367)R82.CB only 0.000 apart, marking (T0367)R82.CB as missing WARNING: atoms too close: (T0367)Y27.CB and (T0367)R82.CB only 0.000 apart, marking (T0367)R82.CB as missing WARNING: atoms too close: (T0367)L26.CB and (T0367)R82.CB only 0.000 apart, marking (T0367)R82.CB as missing WARNING: atoms too close: (T0367)M24.CB and (T0367)R82.CB only 0.000 apart, marking (T0367)R82.CB as missing WARNING: atoms too close: (T0367)S81.O and (T0367)R82.O only 0.000 apart, marking (T0367)R82.O as missing WARNING: atoms too close: (T0367)L80.O and (T0367)R82.O only 0.000 apart, marking (T0367)R82.O as missing WARNING: atoms too close: (T0367)K79.O and (T0367)R82.O only 0.000 apart, marking (T0367)R82.O as missing WARNING: atoms too close: (T0367)S78.O and (T0367)R82.O only 0.000 apart, marking (T0367)R82.O as missing WARNING: atoms too close: (T0367)C77.O and (T0367)R82.O only 0.000 apart, marking (T0367)R82.O as missing WARNING: atoms too close: (T0367)D76.O and (T0367)R82.O only 0.000 apart, marking (T0367)R82.O as missing WARNING: atoms too close: (T0367)D75.O and (T0367)R82.O only 0.000 apart, marking (T0367)R82.O as missing WARNING: atoms too close: (T0367)D74.O and (T0367)R82.O only 0.000 apart, marking (T0367)R82.O as missing WARNING: atoms too close: (T0367)S73.O and (T0367)R82.O only 0.000 apart, marking (T0367)R82.O as missing WARNING: atoms too close: (T0367)L72.O and (T0367)R82.O only 0.000 apart, marking (T0367)R82.O as missing WARNING: atoms too close: (T0367)R29.O and (T0367)R82.O only 0.000 apart, marking (T0367)R82.O as missing WARNING: atoms too close: (T0367)E28.O and (T0367)R82.O only 0.000 apart, marking (T0367)R82.O as missing WARNING: atoms too close: (T0367)Y27.O and (T0367)R82.O only 0.000 apart, marking (T0367)R82.O as missing WARNING: atoms too close: (T0367)L26.O and (T0367)R82.O only 0.000 apart, marking (T0367)R82.O as missing WARNING: atoms too close: (T0367)G25.O and (T0367)R82.O only 0.000 apart, marking (T0367)R82.O as missing WARNING: atoms too close: (T0367)M24.O and (T0367)R82.O only 0.000 apart, marking (T0367)R82.O as missing WARNING: atoms too close: (T0367)S81.C and (T0367)R82.C only 0.000 apart, marking (T0367)R82.C as missing WARNING: atoms too close: (T0367)L80.C and (T0367)R82.C only 0.000 apart, marking (T0367)R82.C as missing WARNING: atoms too close: (T0367)K79.C and (T0367)R82.C only 0.000 apart, marking (T0367)R82.C as missing WARNING: atoms too close: (T0367)S78.C and (T0367)R82.C only 0.000 apart, marking (T0367)R82.C as missing WARNING: atoms too close: (T0367)C77.C and (T0367)R82.C only 0.000 apart, marking (T0367)R82.C as missing WARNING: atoms too close: (T0367)D76.C and (T0367)R82.C only 0.000 apart, marking (T0367)R82.C as missing WARNING: atoms too close: (T0367)D75.C and (T0367)R82.C only 0.000 apart, marking (T0367)R82.C as missing WARNING: atoms too close: (T0367)D74.C and (T0367)R82.C only 0.000 apart, marking (T0367)R82.C as missing WARNING: atoms too close: (T0367)S73.C and (T0367)R82.C only 0.000 apart, marking (T0367)R82.C as missing WARNING: atoms too close: (T0367)L72.C and (T0367)R82.C only 0.000 apart, marking (T0367)R82.C as missing WARNING: atoms too close: (T0367)R29.C and (T0367)R82.C only 0.000 apart, marking (T0367)R82.C as missing WARNING: atoms too close: (T0367)E28.C and (T0367)R82.C only 0.000 apart, marking (T0367)R82.C as missing WARNING: atoms too close: (T0367)Y27.C and (T0367)R82.C only 0.000 apart, marking (T0367)R82.C as missing WARNING: atoms too close: (T0367)L26.C and (T0367)R82.C only 0.000 apart, marking (T0367)R82.C as missing WARNING: atoms too close: (T0367)G25.C and (T0367)R82.C only 0.000 apart, marking (T0367)R82.C as missing WARNING: atoms too close: (T0367)M24.C and (T0367)R82.C only 0.000 apart, marking (T0367)R82.C as missing WARNING: atoms too close: (T0367)R82.N and (T0367)A83.N only 0.000 apart, marking (T0367)R82.N as missing WARNING: atoms too close: (T0367)S81.N and (T0367)A83.N only 0.000 apart, marking (T0367)S81.N as missing WARNING: atoms too close: (T0367)L80.N and (T0367)A83.N only 0.000 apart, marking (T0367)L80.N as missing WARNING: atoms too close: (T0367)K79.N and (T0367)A83.N only 0.000 apart, marking (T0367)K79.N as missing WARNING: atoms too close: (T0367)S78.N and (T0367)A83.N only 0.000 apart, marking (T0367)S78.N as missing WARNING: atoms too close: (T0367)C77.N and (T0367)A83.N only 0.000 apart, marking (T0367)C77.N as missing WARNING: atoms too close: (T0367)D76.N and (T0367)A83.N only 0.000 apart, marking (T0367)D76.N as missing WARNING: atoms too close: (T0367)D75.N and (T0367)A83.N only 0.000 apart, marking (T0367)D75.N as missing WARNING: atoms too close: (T0367)D74.N and (T0367)A83.N only 0.000 apart, marking (T0367)D74.N as missing WARNING: atoms too close: (T0367)S73.N and (T0367)A83.N only 0.000 apart, marking (T0367)S73.N as missing WARNING: atoms too close: (T0367)L72.N and (T0367)A83.N only 0.000 apart, marking (T0367)L72.N as missing WARNING: atoms too close: (T0367)R29.N and (T0367)A83.N only 0.000 apart, marking (T0367)R29.N as missing WARNING: atoms too close: (T0367)E28.N and (T0367)A83.N only 0.000 apart, marking (T0367)E28.N as missing WARNING: atoms too close: (T0367)Y27.N and (T0367)A83.N only 0.000 apart, marking (T0367)Y27.N as missing WARNING: atoms too close: (T0367)L26.N and (T0367)A83.N only 0.000 apart, marking (T0367)L26.N as missing WARNING: atoms too close: (T0367)G25.N and (T0367)A83.N only 0.000 apart, marking (T0367)G25.N as missing WARNING: atoms too close: (T0367)M24.N and (T0367)A83.N only 0.000 apart, marking (T0367)A83.N as missing WARNING: atoms too close: (T0367)R82.CA and (T0367)A83.CA only 0.000 apart, marking (T0367)A83.CA as missing WARNING: atoms too close: (T0367)S81.CA and (T0367)A83.CA only 0.000 apart, marking (T0367)A83.CA as missing WARNING: atoms too close: (T0367)L80.CA and (T0367)A83.CA only 0.000 apart, marking (T0367)A83.CA as missing WARNING: atoms too close: (T0367)K79.CA and (T0367)A83.CA only 0.000 apart, marking (T0367)A83.CA as missing WARNING: atoms too close: (T0367)S78.CA and (T0367)A83.CA only 0.000 apart, marking (T0367)A83.CA as missing WARNING: atoms too close: (T0367)C77.CA and (T0367)A83.CA only 0.000 apart, marking (T0367)A83.CA as missing WARNING: atoms too close: (T0367)D76.CA and (T0367)A83.CA only 0.000 apart, marking (T0367)A83.CA as missing WARNING: atoms too close: (T0367)D75.CA and (T0367)A83.CA only 0.000 apart, marking (T0367)A83.CA as missing WARNING: atoms too close: (T0367)D74.CA and (T0367)A83.CA only 0.000 apart, marking (T0367)A83.CA as missing WARNING: atoms too close: (T0367)S73.CA and (T0367)A83.CA only 0.000 apart, marking (T0367)A83.CA as missing WARNING: atoms too close: (T0367)L72.CA and (T0367)A83.CA only 0.000 apart, marking (T0367)A83.CA as missing WARNING: atoms too close: (T0367)R29.CA and (T0367)A83.CA only 0.000 apart, marking (T0367)A83.CA as missing WARNING: atoms too close: (T0367)E28.CA and (T0367)A83.CA only 0.000 apart, marking (T0367)A83.CA as missing WARNING: atoms too close: (T0367)Y27.CA and (T0367)A83.CA only 0.000 apart, marking (T0367)A83.CA as missing WARNING: atoms too close: (T0367)L26.CA and (T0367)A83.CA only 0.000 apart, marking (T0367)A83.CA as missing WARNING: atoms too close: (T0367)G25.CA and (T0367)A83.CA only 0.000 apart, marking (T0367)A83.CA as missing WARNING: atoms too close: (T0367)M24.CA and (T0367)A83.CA only 0.000 apart, marking (T0367)A83.CA as missing WARNING: atoms too close: (T0367)R82.CB and (T0367)A83.CB only 0.000 apart, marking (T0367)A83.CB as missing WARNING: atoms too close: (T0367)S81.CB and (T0367)A83.CB only 0.000 apart, marking (T0367)A83.CB as missing WARNING: atoms too close: (T0367)L80.CB and (T0367)A83.CB only 0.000 apart, marking (T0367)A83.CB as missing WARNING: atoms too close: (T0367)K79.CB and (T0367)A83.CB only 0.000 apart, marking (T0367)A83.CB as missing WARNING: atoms too close: (T0367)S78.CB and (T0367)A83.CB only 0.000 apart, marking (T0367)A83.CB as missing WARNING: atoms too close: (T0367)C77.CB and (T0367)A83.CB only 0.000 apart, marking (T0367)A83.CB as missing WARNING: atoms too close: (T0367)D76.CB and (T0367)A83.CB only 0.000 apart, marking (T0367)A83.CB as missing WARNING: atoms too close: (T0367)D75.CB and (T0367)A83.CB only 0.000 apart, marking (T0367)A83.CB as missing WARNING: atoms too close: (T0367)D74.CB and (T0367)A83.CB only 0.000 apart, marking (T0367)A83.CB as missing WARNING: atoms too close: (T0367)S73.CB and (T0367)A83.CB only 0.000 apart, marking (T0367)A83.CB as missing WARNING: atoms too close: (T0367)L72.CB and (T0367)A83.CB only 0.000 apart, marking (T0367)A83.CB as missing WARNING: atoms too close: (T0367)R29.CB and (T0367)A83.CB only 0.000 apart, marking (T0367)A83.CB as missing WARNING: atoms too close: (T0367)E28.CB and (T0367)A83.CB only 0.000 apart, marking (T0367)A83.CB as missing WARNING: atoms too close: (T0367)Y27.CB and (T0367)A83.CB only 0.000 apart, marking (T0367)A83.CB as missing WARNING: atoms too close: (T0367)L26.CB and (T0367)A83.CB only 0.000 apart, marking (T0367)A83.CB as missing WARNING: atoms too close: (T0367)M24.CB and (T0367)A83.CB only 0.000 apart, marking (T0367)A83.CB as missing WARNING: atoms too close: (T0367)R82.O and (T0367)A83.O only 0.000 apart, marking (T0367)A83.O as missing WARNING: atoms too close: (T0367)S81.O and (T0367)A83.O only 0.000 apart, marking (T0367)A83.O as missing WARNING: atoms too close: (T0367)L80.O and (T0367)A83.O only 0.000 apart, marking (T0367)A83.O as missing WARNING: atoms too close: (T0367)K79.O and (T0367)A83.O only 0.000 apart, marking (T0367)A83.O as missing WARNING: atoms too close: (T0367)S78.O and (T0367)A83.O only 0.000 apart, marking (T0367)A83.O as missing WARNING: atoms too close: (T0367)C77.O and (T0367)A83.O only 0.000 apart, marking (T0367)A83.O as missing WARNING: atoms too close: (T0367)D76.O and (T0367)A83.O only 0.000 apart, marking (T0367)A83.O as missing WARNING: atoms too close: (T0367)D75.O and (T0367)A83.O only 0.000 apart, marking (T0367)A83.O as missing WARNING: atoms too close: (T0367)D74.O and (T0367)A83.O only 0.000 apart, marking (T0367)A83.O as missing WARNING: atoms too close: (T0367)S73.O and (T0367)A83.O only 0.000 apart, marking (T0367)A83.O as missing WARNING: atoms too close: (T0367)L72.O and (T0367)A83.O only 0.000 apart, marking (T0367)A83.O as missing WARNING: atoms too close: (T0367)R29.O and (T0367)A83.O only 0.000 apart, marking (T0367)A83.O as missing WARNING: atoms too close: (T0367)E28.O and (T0367)A83.O only 0.000 apart, marking (T0367)A83.O as missing WARNING: atoms too close: (T0367)Y27.O and (T0367)A83.O only 0.000 apart, marking (T0367)A83.O as missing WARNING: atoms too close: (T0367)L26.O and (T0367)A83.O only 0.000 apart, marking (T0367)A83.O as missing WARNING: atoms too close: (T0367)G25.O and (T0367)A83.O only 0.000 apart, marking (T0367)A83.O as missing WARNING: atoms too close: (T0367)M24.O and (T0367)A83.O only 0.000 apart, marking (T0367)A83.O as missing WARNING: atoms too close: (T0367)R82.C and (T0367)A83.C only 0.000 apart, marking (T0367)A83.C as missing WARNING: atoms too close: (T0367)S81.C and (T0367)A83.C only 0.000 apart, marking (T0367)A83.C as missing WARNING: atoms too close: (T0367)L80.C and (T0367)A83.C only 0.000 apart, marking (T0367)A83.C as missing WARNING: atoms too close: (T0367)K79.C and (T0367)A83.C only 0.000 apart, marking (T0367)A83.C as missing WARNING: atoms too close: (T0367)S78.C and (T0367)A83.C only 0.000 apart, marking (T0367)A83.C as missing WARNING: atoms too close: (T0367)C77.C and (T0367)A83.C only 0.000 apart, marking (T0367)A83.C as missing WARNING: atoms too close: (T0367)D76.C and (T0367)A83.C only 0.000 apart, marking (T0367)A83.C as missing WARNING: atoms too close: (T0367)D75.C and (T0367)A83.C only 0.000 apart, marking (T0367)A83.C as missing WARNING: atoms too close: (T0367)D74.C and (T0367)A83.C only 0.000 apart, marking (T0367)A83.C as missing WARNING: atoms too close: (T0367)S73.C and (T0367)A83.C only 0.000 apart, marking (T0367)A83.C as missing WARNING: atoms too close: (T0367)L72.C and (T0367)A83.C only 0.000 apart, marking (T0367)A83.C as missing WARNING: atoms too close: (T0367)R29.C and (T0367)A83.C only 0.000 apart, marking (T0367)A83.C as missing WARNING: atoms too close: (T0367)E28.C and (T0367)A83.C only 0.000 apart, marking (T0367)A83.C as missing WARNING: atoms too close: (T0367)Y27.C and (T0367)A83.C only 0.000 apart, marking (T0367)A83.C as missing WARNING: atoms too close: (T0367)L26.C and (T0367)A83.C only 0.000 apart, marking (T0367)A83.C as missing WARNING: atoms too close: (T0367)G25.C and (T0367)A83.C only 0.000 apart, marking (T0367)A83.C as missing WARNING: atoms too close: (T0367)M24.C and (T0367)A83.C only 0.000 apart, marking (T0367)A83.C as missing WARNING: atoms too close: (T0367)A83.N and (T0367)E97.N only 0.000 apart, marking (T0367)A83.N as missing WARNING: atoms too close: (T0367)R82.N and (T0367)E97.N only 0.000 apart, marking (T0367)R82.N as missing WARNING: atoms too close: (T0367)S81.N and (T0367)E97.N only 0.000 apart, marking (T0367)S81.N as missing WARNING: atoms too close: (T0367)L80.N and (T0367)E97.N only 0.000 apart, marking (T0367)L80.N as missing WARNING: atoms too close: (T0367)K79.N and (T0367)E97.N only 0.000 apart, marking (T0367)K79.N as missing WARNING: atoms too close: (T0367)S78.N and (T0367)E97.N only 0.000 apart, marking (T0367)S78.N as missing WARNING: atoms too close: (T0367)C77.N and (T0367)E97.N only 0.000 apart, marking (T0367)C77.N as missing WARNING: atoms too close: (T0367)D76.N and (T0367)E97.N only 0.000 apart, marking (T0367)D76.N as missing WARNING: atoms too close: (T0367)D75.N and (T0367)E97.N only 0.000 apart, marking (T0367)D75.N as missing WARNING: atoms too close: (T0367)D74.N and (T0367)E97.N only 0.000 apart, marking (T0367)D74.N as missing WARNING: atoms too close: (T0367)S73.N and (T0367)E97.N only 0.000 apart, marking (T0367)S73.N as missing WARNING: atoms too close: (T0367)L72.N and (T0367)E97.N only 0.000 apart, marking (T0367)L72.N as missing WARNING: atoms too close: (T0367)R29.N and (T0367)E97.N only 0.000 apart, marking (T0367)R29.N as missing WARNING: atoms too close: (T0367)E28.N and (T0367)E97.N only 0.000 apart, marking (T0367)E28.N as missing WARNING: atoms too close: (T0367)Y27.N and (T0367)E97.N only 0.000 apart, marking (T0367)Y27.N as missing WARNING: atoms too close: (T0367)L26.N and (T0367)E97.N only 0.000 apart, marking (T0367)L26.N as missing WARNING: atoms too close: (T0367)G25.N and (T0367)E97.N only 0.000 apart, marking (T0367)G25.N as missing WARNING: atoms too close: (T0367)M24.N and (T0367)E97.N only 0.000 apart, marking (T0367)E97.N as missing WARNING: atoms too close: (T0367)A83.CA and (T0367)E97.CA only 0.000 apart, marking (T0367)E97.CA as missing WARNING: atoms too close: (T0367)R82.CA and (T0367)E97.CA only 0.000 apart, marking (T0367)E97.CA as missing WARNING: atoms too close: (T0367)S81.CA and (T0367)E97.CA only 0.000 apart, marking (T0367)E97.CA as missing WARNING: atoms too close: (T0367)L80.CA and (T0367)E97.CA only 0.000 apart, marking (T0367)E97.CA as missing WARNING: atoms too close: (T0367)K79.CA and (T0367)E97.CA only 0.000 apart, marking (T0367)E97.CA as missing WARNING: atoms too close: (T0367)S78.CA and (T0367)E97.CA only 0.000 apart, marking (T0367)E97.CA as missing WARNING: atoms too close: (T0367)C77.CA and (T0367)E97.CA only 0.000 apart, marking (T0367)E97.CA as missing WARNING: atoms too close: (T0367)D76.CA and (T0367)E97.CA only 0.000 apart, marking (T0367)E97.CA as missing WARNING: atoms too close: (T0367)D75.CA and (T0367)E97.CA only 0.000 apart, marking (T0367)E97.CA as missing WARNING: atoms too close: (T0367)D74.CA and (T0367)E97.CA only 0.000 apart, marking (T0367)E97.CA as missing WARNING: atoms too close: (T0367)S73.CA and (T0367)E97.CA only 0.000 apart, marking (T0367)E97.CA as missing WARNING: atoms too close: (T0367)L72.CA and (T0367)E97.CA only 0.000 apart, marking (T0367)E97.CA as missing WARNING: atoms too close: (T0367)R29.CA and (T0367)E97.CA only 0.000 apart, marking (T0367)E97.CA as missing WARNING: atoms too close: (T0367)E28.CA and (T0367)E97.CA only 0.000 apart, marking (T0367)E97.CA as missing WARNING: atoms too close: (T0367)Y27.CA and (T0367)E97.CA only 0.000 apart, marking (T0367)E97.CA as missing WARNING: atoms too close: (T0367)L26.CA and (T0367)E97.CA only 0.000 apart, marking (T0367)E97.CA as missing WARNING: atoms too close: (T0367)G25.CA and (T0367)E97.CA only 0.000 apart, marking (T0367)E97.CA as missing WARNING: atoms too close: (T0367)M24.CA and (T0367)E97.CA only 0.000 apart, marking (T0367)E97.CA as missing WARNING: atoms too close: (T0367)A83.CB and (T0367)E97.CB only 0.000 apart, marking (T0367)E97.CB as missing WARNING: atoms too close: (T0367)R82.CB and (T0367)E97.CB only 0.000 apart, marking (T0367)E97.CB as missing WARNING: atoms too close: (T0367)S81.CB and (T0367)E97.CB only 0.000 apart, marking (T0367)E97.CB as missing WARNING: atoms too close: (T0367)L80.CB and (T0367)E97.CB only 0.000 apart, marking (T0367)E97.CB as missing WARNING: atoms too close: (T0367)K79.CB and (T0367)E97.CB only 0.000 apart, marking (T0367)E97.CB as missing WARNING: atoms too close: (T0367)S78.CB and (T0367)E97.CB only 0.000 apart, marking (T0367)E97.CB as missing WARNING: atoms too close: (T0367)C77.CB and (T0367)E97.CB only 0.000 apart, marking (T0367)E97.CB as missing WARNING: atoms too close: (T0367)D76.CB and (T0367)E97.CB only 0.000 apart, marking (T0367)E97.CB as missing WARNING: atoms too close: (T0367)D75.CB and (T0367)E97.CB only 0.000 apart, marking (T0367)E97.CB as missing WARNING: atoms too close: (T0367)D74.CB and (T0367)E97.CB only 0.000 apart, marking (T0367)E97.CB as missing WARNING: atoms too close: (T0367)S73.CB and (T0367)E97.CB only 0.000 apart, marking (T0367)E97.CB as missing WARNING: atoms too close: (T0367)L72.CB and (T0367)E97.CB only 0.000 apart, marking (T0367)E97.CB as missing WARNING: atoms too close: (T0367)R29.CB and (T0367)E97.CB only 0.000 apart, marking (T0367)E97.CB as missing WARNING: atoms too close: (T0367)E28.CB and (T0367)E97.CB only 0.000 apart, marking (T0367)E97.CB as missing WARNING: atoms too close: (T0367)Y27.CB and (T0367)E97.CB only 0.000 apart, marking (T0367)E97.CB as missing WARNING: atoms too close: (T0367)L26.CB and (T0367)E97.CB only 0.000 apart, marking (T0367)E97.CB as missing WARNING: atoms too close: (T0367)M24.CB and (T0367)E97.CB only 0.000 apart, marking (T0367)E97.CB as missing WARNING: atoms too close: (T0367)A83.O and (T0367)E97.O only 0.000 apart, marking (T0367)E97.O as missing WARNING: atoms too close: (T0367)R82.O and (T0367)E97.O only 0.000 apart, marking (T0367)E97.O as missing WARNING: atoms too close: (T0367)S81.O and (T0367)E97.O only 0.000 apart, marking (T0367)E97.O as missing WARNING: atoms too close: (T0367)L80.O and (T0367)E97.O only 0.000 apart, marking (T0367)E97.O as missing WARNING: atoms too close: (T0367)K79.O and (T0367)E97.O only 0.000 apart, marking (T0367)E97.O as missing WARNING: atoms too close: (T0367)S78.O and (T0367)E97.O only 0.000 apart, marking (T0367)E97.O as missing WARNING: atoms too close: (T0367)C77.O and (T0367)E97.O only 0.000 apart, marking (T0367)E97.O as missing WARNING: atoms too close: (T0367)D76.O and (T0367)E97.O only 0.000 apart, marking (T0367)E97.O as missing WARNING: atoms too close: (T0367)D75.O and (T0367)E97.O only 0.000 apart, marking (T0367)E97.O as missing WARNING: atoms too close: (T0367)D74.O and (T0367)E97.O only 0.000 apart, marking (T0367)E97.O as missing WARNING: atoms too close: (T0367)S73.O and (T0367)E97.O only 0.000 apart, marking (T0367)E97.O as missing WARNING: atoms too close: (T0367)L72.O and (T0367)E97.O only 0.000 apart, marking (T0367)E97.O as missing WARNING: atoms too close: (T0367)R29.O and (T0367)E97.O only 0.000 apart, marking (T0367)E97.O as missing WARNING: atoms too close: (T0367)E28.O and (T0367)E97.O only 0.000 apart, marking (T0367)E97.O as missing WARNING: atoms too close: (T0367)Y27.O and (T0367)E97.O only 0.000 apart, marking (T0367)E97.O as missing WARNING: atoms too close: (T0367)L26.O and (T0367)E97.O only 0.000 apart, marking (T0367)E97.O as missing WARNING: atoms too close: (T0367)G25.O and (T0367)E97.O only 0.000 apart, marking (T0367)E97.O as missing WARNING: atoms too close: (T0367)M24.O and (T0367)E97.O only 0.000 apart, marking (T0367)E97.O as missing WARNING: atoms too close: (T0367)A83.C and (T0367)E97.C only 0.000 apart, marking (T0367)E97.C as missing WARNING: atoms too close: (T0367)R82.C and (T0367)E97.C only 0.000 apart, marking (T0367)E97.C as missing WARNING: atoms too close: (T0367)S81.C and (T0367)E97.C only 0.000 apart, marking (T0367)E97.C as missing WARNING: atoms too close: (T0367)L80.C and (T0367)E97.C only 0.000 apart, marking (T0367)E97.C as missing WARNING: atoms too close: (T0367)K79.C and (T0367)E97.C only 0.000 apart, marking (T0367)E97.C as missing WARNING: atoms too close: (T0367)S78.C and (T0367)E97.C only 0.000 apart, marking (T0367)E97.C as missing WARNING: atoms too close: (T0367)C77.C and (T0367)E97.C only 0.000 apart, marking (T0367)E97.C as missing WARNING: atoms too close: (T0367)D76.C and (T0367)E97.C only 0.000 apart, marking (T0367)E97.C as missing WARNING: atoms too close: (T0367)D75.C and (T0367)E97.C only 0.000 apart, marking (T0367)E97.C as missing WARNING: atoms too close: (T0367)D74.C and (T0367)E97.C only 0.000 apart, marking (T0367)E97.C as missing WARNING: atoms too close: (T0367)S73.C and (T0367)E97.C only 0.000 apart, marking (T0367)E97.C as missing WARNING: atoms too close: (T0367)L72.C and (T0367)E97.C only 0.000 apart, marking (T0367)E97.C as missing WARNING: atoms too close: (T0367)R29.C and (T0367)E97.C only 0.000 apart, marking (T0367)E97.C as missing WARNING: atoms too close: (T0367)E28.C and (T0367)E97.C only 0.000 apart, marking (T0367)E97.C as missing WARNING: atoms too close: (T0367)Y27.C and (T0367)E97.C only 0.000 apart, marking (T0367)E97.C as missing WARNING: atoms too close: (T0367)L26.C and (T0367)E97.C only 0.000 apart, marking (T0367)E97.C as missing WARNING: atoms too close: (T0367)G25.C and (T0367)E97.C only 0.000 apart, marking (T0367)E97.C as missing WARNING: atoms too close: (T0367)M24.C and (T0367)E97.C only 0.000 apart, marking (T0367)E97.C as missing WARNING: atoms too close: (T0367)E97.N and (T0367)V98.N only 0.000 apart, marking (T0367)E97.N as missing WARNING: atoms too close: (T0367)A83.N and (T0367)V98.N only 0.000 apart, marking (T0367)A83.N as missing WARNING: atoms too close: (T0367)R82.N and (T0367)V98.N only 0.000 apart, marking (T0367)R82.N as missing WARNING: atoms too close: (T0367)S81.N and (T0367)V98.N only 0.000 apart, marking (T0367)S81.N as missing WARNING: atoms too close: (T0367)L80.N and (T0367)V98.N only 0.000 apart, marking (T0367)L80.N as missing WARNING: atoms too close: (T0367)K79.N and (T0367)V98.N only 0.000 apart, marking (T0367)K79.N as missing WARNING: atoms too close: (T0367)S78.N and (T0367)V98.N only 0.000 apart, marking (T0367)S78.N as missing WARNING: atoms too close: (T0367)C77.N and (T0367)V98.N only 0.000 apart, marking (T0367)C77.N as missing WARNING: atoms too close: (T0367)D76.N and (T0367)V98.N only 0.000 apart, marking (T0367)D76.N as missing WARNING: atoms too close: (T0367)D75.N and (T0367)V98.N only 0.000 apart, marking (T0367)D75.N as missing WARNING: atoms too close: (T0367)D74.N and (T0367)V98.N only 0.000 apart, marking (T0367)D74.N as missing WARNING: atoms too close: (T0367)S73.N and (T0367)V98.N only 0.000 apart, marking (T0367)S73.N as missing WARNING: atoms too close: (T0367)L72.N and (T0367)V98.N only 0.000 apart, marking (T0367)L72.N as missing WARNING: atoms too close: (T0367)R29.N and (T0367)V98.N only 0.000 apart, marking (T0367)R29.N as missing WARNING: atoms too close: (T0367)E28.N and (T0367)V98.N only 0.000 apart, marking (T0367)E28.N as missing WARNING: atoms too close: (T0367)Y27.N and (T0367)V98.N only 0.000 apart, marking (T0367)Y27.N as missing WARNING: atoms too close: (T0367)L26.N and (T0367)V98.N only 0.000 apart, marking (T0367)L26.N as missing WARNING: atoms too close: (T0367)G25.N and (T0367)V98.N only 0.000 apart, marking (T0367)G25.N as missing WARNING: atoms too close: (T0367)M24.N and (T0367)V98.N only 0.000 apart, marking (T0367)V98.N as missing WARNING: atoms too close: (T0367)E97.CA and (T0367)V98.CA only 0.000 apart, marking (T0367)V98.CA as missing WARNING: atoms too close: (T0367)A83.CA and (T0367)V98.CA only 0.000 apart, marking (T0367)V98.CA as missing WARNING: atoms too close: (T0367)R82.CA and (T0367)V98.CA only 0.000 apart, marking (T0367)V98.CA as missing WARNING: atoms too close: (T0367)S81.CA and (T0367)V98.CA only 0.000 apart, marking (T0367)V98.CA as missing WARNING: atoms too close: (T0367)L80.CA and (T0367)V98.CA only 0.000 apart, marking (T0367)V98.CA as missing WARNING: atoms too close: (T0367)K79.CA and (T0367)V98.CA only 0.000 apart, marking (T0367)V98.CA as missing WARNING: atoms too close: (T0367)S78.CA and (T0367)V98.CA only 0.000 apart, marking (T0367)V98.CA as missing WARNING: atoms too close: (T0367)C77.CA and (T0367)V98.CA only 0.000 apart, marking (T0367)V98.CA as missing WARNING: atoms too close: (T0367)D76.CA and (T0367)V98.CA only 0.000 apart, marking (T0367)V98.CA as missing WARNING: atoms too close: (T0367)D75.CA and (T0367)V98.CA only 0.000 apart, marking (T0367)V98.CA as missing WARNING: atoms too close: (T0367)D74.CA and (T0367)V98.CA only 0.000 apart, marking (T0367)V98.CA as missing WARNING: atoms too close: (T0367)S73.CA and (T0367)V98.CA only 0.000 apart, marking (T0367)V98.CA as missing WARNING: atoms too close: (T0367)L72.CA and (T0367)V98.CA only 0.000 apart, marking (T0367)V98.CA as missing WARNING: atoms too close: (T0367)R29.CA and (T0367)V98.CA only 0.000 apart, marking (T0367)V98.CA as missing WARNING: atoms too close: (T0367)E28.CA and (T0367)V98.CA only 0.000 apart, marking (T0367)V98.CA as missing WARNING: atoms too close: (T0367)Y27.CA and (T0367)V98.CA only 0.000 apart, marking (T0367)V98.CA as missing WARNING: atoms too close: (T0367)L26.CA and (T0367)V98.CA only 0.000 apart, marking (T0367)V98.CA as missing WARNING: atoms too close: (T0367)G25.CA and (T0367)V98.CA only 0.000 apart, marking (T0367)V98.CA as missing WARNING: atoms too close: (T0367)M24.CA and (T0367)V98.CA only 0.000 apart, marking (T0367)V98.CA as missing WARNING: atoms too close: (T0367)E97.CB and (T0367)V98.CB only 0.000 apart, marking (T0367)V98.CB as missing WARNING: atoms too close: (T0367)A83.CB and (T0367)V98.CB only 0.000 apart, marking (T0367)V98.CB as missing WARNING: atoms too close: (T0367)R82.CB and (T0367)V98.CB only 0.000 apart, marking (T0367)V98.CB as missing WARNING: atoms too close: (T0367)S81.CB and (T0367)V98.CB only 0.000 apart, marking (T0367)V98.CB as missing WARNING: atoms too close: (T0367)L80.CB and (T0367)V98.CB only 0.000 apart, marking (T0367)V98.CB as missing WARNING: atoms too close: (T0367)K79.CB and (T0367)V98.CB only 0.000 apart, marking (T0367)V98.CB as missing WARNING: atoms too close: (T0367)S78.CB and (T0367)V98.CB only 0.000 apart, marking (T0367)V98.CB as missing WARNING: atoms too close: (T0367)C77.CB and (T0367)V98.CB only 0.000 apart, marking (T0367)V98.CB as missing WARNING: atoms too close: (T0367)D76.CB and (T0367)V98.CB only 0.000 apart, marking (T0367)V98.CB as missing WARNING: atoms too close: (T0367)D75.CB and (T0367)V98.CB only 0.000 apart, marking (T0367)V98.CB as missing WARNING: atoms too close: (T0367)D74.CB and (T0367)V98.CB only 0.000 apart, marking (T0367)V98.CB as missing WARNING: atoms too close: (T0367)S73.CB and (T0367)V98.CB only 0.000 apart, marking (T0367)V98.CB as missing WARNING: atoms too close: (T0367)L72.CB and (T0367)V98.CB only 0.000 apart, marking (T0367)V98.CB as missing WARNING: atoms too close: (T0367)R29.CB and (T0367)V98.CB only 0.000 apart, marking (T0367)V98.CB as missing WARNING: atoms too close: (T0367)E28.CB and (T0367)V98.CB only 0.000 apart, marking (T0367)V98.CB as missing WARNING: atoms too close: (T0367)Y27.CB and (T0367)V98.CB only 0.000 apart, marking (T0367)V98.CB as missing WARNING: atoms too close: (T0367)L26.CB and (T0367)V98.CB only 0.000 apart, marking (T0367)V98.CB as missing WARNING: atoms too close: (T0367)M24.CB and (T0367)V98.CB only 0.000 apart, marking (T0367)V98.CB as missing WARNING: atoms too close: (T0367)E97.O and (T0367)V98.O only 0.000 apart, marking (T0367)V98.O as missing WARNING: atoms too close: (T0367)A83.O and (T0367)V98.O only 0.000 apart, marking (T0367)V98.O as missing WARNING: atoms too close: (T0367)R82.O and (T0367)V98.O only 0.000 apart, marking (T0367)V98.O as missing WARNING: atoms too close: (T0367)S81.O and (T0367)V98.O only 0.000 apart, marking (T0367)V98.O as missing WARNING: atoms too close: (T0367)L80.O and (T0367)V98.O only 0.000 apart, marking (T0367)V98.O as missing WARNING: atoms too close: (T0367)K79.O and (T0367)V98.O only 0.000 apart, marking (T0367)V98.O as missing WARNING: atoms too close: (T0367)S78.O and (T0367)V98.O only 0.000 apart, marking (T0367)V98.O as missing WARNING: atoms too close: (T0367)C77.O and (T0367)V98.O only 0.000 apart, marking (T0367)V98.O as missing WARNING: atoms too close: (T0367)D76.O and (T0367)V98.O only 0.000 apart, marking (T0367)V98.O as missing WARNING: atoms too close: (T0367)D75.O and (T0367)V98.O only 0.000 apart, marking (T0367)V98.O as missing WARNING: atoms too close: (T0367)D74.O and (T0367)V98.O only 0.000 apart, marking (T0367)V98.O as missing WARNING: atoms too close: (T0367)S73.O and (T0367)V98.O only 0.000 apart, marking (T0367)V98.O as missing WARNING: atoms too close: (T0367)L72.O and (T0367)V98.O only 0.000 apart, marking (T0367)V98.O as missing WARNING: atoms too close: (T0367)R29.O and (T0367)V98.O only 0.000 apart, marking (T0367)V98.O as missing WARNING: atoms too close: (T0367)E28.O and (T0367)V98.O only 0.000 apart, marking (T0367)V98.O as missing WARNING: atoms too close: (T0367)Y27.O and (T0367)V98.O only 0.000 apart, marking (T0367)V98.O as missing WARNING: atoms too close: (T0367)L26.O and (T0367)V98.O only 0.000 apart, marking (T0367)V98.O as missing WARNING: atoms too close: (T0367)G25.O and (T0367)V98.O only 0.000 apart, marking (T0367)V98.O as missing WARNING: atoms too close: (T0367)M24.O and (T0367)V98.O only 0.000 apart, marking (T0367)V98.O as missing WARNING: atoms too close: (T0367)E97.C and (T0367)V98.C only 0.000 apart, marking (T0367)V98.C as missing WARNING: atoms too close: (T0367)A83.C and (T0367)V98.C only 0.000 apart, marking (T0367)V98.C as missing WARNING: atoms too close: (T0367)R82.C and (T0367)V98.C only 0.000 apart, marking (T0367)V98.C as missing WARNING: atoms too close: (T0367)S81.C and (T0367)V98.C only 0.000 apart, marking (T0367)V98.C as missing WARNING: atoms too close: (T0367)L80.C and (T0367)V98.C only 0.000 apart, marking (T0367)V98.C as missing WARNING: atoms too close: (T0367)K79.C and (T0367)V98.C only 0.000 apart, marking (T0367)V98.C as missing WARNING: atoms too close: (T0367)S78.C and (T0367)V98.C only 0.000 apart, marking (T0367)V98.C as missing WARNING: atoms too close: (T0367)C77.C and (T0367)V98.C only 0.000 apart, marking (T0367)V98.C as missing WARNING: atoms too close: (T0367)D76.C and (T0367)V98.C only 0.000 apart, marking (T0367)V98.C as missing WARNING: atoms too close: (T0367)D75.C and (T0367)V98.C only 0.000 apart, marking (T0367)V98.C as missing WARNING: atoms too close: (T0367)D74.C and (T0367)V98.C only 0.000 apart, marking (T0367)V98.C as missing WARNING: atoms too close: (T0367)S73.C and (T0367)V98.C only 0.000 apart, marking (T0367)V98.C as missing WARNING: atoms too close: (T0367)L72.C and (T0367)V98.C only 0.000 apart, marking (T0367)V98.C as missing WARNING: atoms too close: (T0367)R29.C and (T0367)V98.C only 0.000 apart, marking (T0367)V98.C as missing WARNING: atoms too close: (T0367)E28.C and (T0367)V98.C only 0.000 apart, marking (T0367)V98.C as missing WARNING: atoms too close: (T0367)Y27.C and (T0367)V98.C only 0.000 apart, marking (T0367)V98.C as missing WARNING: atoms too close: (T0367)L26.C and (T0367)V98.C only 0.000 apart, marking (T0367)V98.C as missing WARNING: atoms too close: (T0367)G25.C and (T0367)V98.C only 0.000 apart, marking (T0367)V98.C as missing WARNING: atoms too close: (T0367)M24.C and (T0367)V98.C only 0.000 apart, marking (T0367)V98.C as missing WARNING: atoms too close: (T0367)V98.N and (T0367)S99.N only 0.000 apart, marking (T0367)V98.N as missing WARNING: atoms too close: (T0367)E97.N and (T0367)S99.N only 0.000 apart, marking (T0367)E97.N as missing WARNING: atoms too close: (T0367)A83.N and (T0367)S99.N only 0.000 apart, marking (T0367)A83.N as missing WARNING: atoms too close: (T0367)R82.N and (T0367)S99.N only 0.000 apart, marking (T0367)R82.N as missing WARNING: atoms too close: (T0367)S81.N and (T0367)S99.N only 0.000 apart, marking (T0367)S81.N as missing WARNING: atoms too close: (T0367)L80.N and (T0367)S99.N only 0.000 apart, marking (T0367)L80.N as missing WARNING: atoms too close: (T0367)K79.N and (T0367)S99.N only 0.000 apart, marking (T0367)K79.N as missing WARNING: atoms too close: (T0367)S78.N and (T0367)S99.N only 0.000 apart, marking (T0367)S78.N as missing WARNING: atoms too close: (T0367)C77.N and (T0367)S99.N only 0.000 apart, marking (T0367)C77.N as missing WARNING: atoms too close: (T0367)D76.N and (T0367)S99.N only 0.000 apart, marking (T0367)D76.N as missing WARNING: atoms too close: (T0367)D75.N and (T0367)S99.N only 0.000 apart, marking (T0367)D75.N as missing WARNING: atoms too close: (T0367)D74.N and (T0367)S99.N only 0.000 apart, marking (T0367)D74.N as missing WARNING: atoms too close: (T0367)S73.N and (T0367)S99.N only 0.000 apart, marking (T0367)S73.N as missing WARNING: atoms too close: (T0367)L72.N and (T0367)S99.N only 0.000 apart, marking (T0367)L72.N as missing WARNING: atoms too close: (T0367)R29.N and (T0367)S99.N only 0.000 apart, marking (T0367)R29.N as missing WARNING: atoms too close: (T0367)E28.N and (T0367)S99.N only 0.000 apart, marking (T0367)E28.N as missing WARNING: atoms too close: (T0367)Y27.N and (T0367)S99.N only 0.000 apart, marking (T0367)Y27.N as missing WARNING: atoms too close: (T0367)L26.N and (T0367)S99.N only 0.000 apart, marking (T0367)L26.N as missing WARNING: atoms too close: (T0367)G25.N and (T0367)S99.N only 0.000 apart, marking (T0367)G25.N as missing WARNING: atoms too close: (T0367)M24.N and (T0367)S99.N only 0.000 apart, marking (T0367)S99.N as missing WARNING: atoms too close: (T0367)V98.CA and (T0367)S99.CA only 0.000 apart, marking (T0367)S99.CA as missing WARNING: atoms too close: (T0367)E97.CA and (T0367)S99.CA only 0.000 apart, marking (T0367)S99.CA as missing WARNING: atoms too close: (T0367)A83.CA and (T0367)S99.CA only 0.000 apart, marking (T0367)S99.CA as missing WARNING: atoms too close: (T0367)R82.CA and (T0367)S99.CA only 0.000 apart, marking (T0367)S99.CA as missing WARNING: atoms too close: (T0367)S81.CA and (T0367)S99.CA only 0.000 apart, marking (T0367)S99.CA as missing WARNING: atoms too close: (T0367)L80.CA and (T0367)S99.CA only 0.000 apart, marking (T0367)S99.CA as missing WARNING: atoms too close: (T0367)K79.CA and (T0367)S99.CA only 0.000 apart, marking (T0367)S99.CA as missing WARNING: atoms too close: (T0367)S78.CA and (T0367)S99.CA only 0.000 apart, marking (T0367)S99.CA as missing WARNING: atoms too close: (T0367)C77.CA and (T0367)S99.CA only 0.000 apart, marking (T0367)S99.CA as missing WARNING: atoms too close: (T0367)D76.CA and (T0367)S99.CA only 0.000 apart, marking (T0367)S99.CA as missing WARNING: atoms too close: (T0367)D75.CA and (T0367)S99.CA only 0.000 apart, marking (T0367)S99.CA as missing WARNING: atoms too close: (T0367)D74.CA and (T0367)S99.CA only 0.000 apart, marking (T0367)S99.CA as missing WARNING: atoms too close: (T0367)S73.CA and (T0367)S99.CA only 0.000 apart, marking (T0367)S99.CA as missing WARNING: atoms too close: (T0367)L72.CA and (T0367)S99.CA only 0.000 apart, marking (T0367)S99.CA as missing WARNING: atoms too close: (T0367)R29.CA and (T0367)S99.CA only 0.000 apart, marking (T0367)S99.CA as missing WARNING: atoms too close: (T0367)E28.CA and (T0367)S99.CA only 0.000 apart, marking (T0367)S99.CA as missing WARNING: atoms too close: (T0367)Y27.CA and (T0367)S99.CA only 0.000 apart, marking (T0367)S99.CA as missing WARNING: atoms too close: (T0367)L26.CA and (T0367)S99.CA only 0.000 apart, marking (T0367)S99.CA as missing WARNING: atoms too close: (T0367)G25.CA and (T0367)S99.CA only 0.000 apart, marking (T0367)S99.CA as missing WARNING: atoms too close: (T0367)M24.CA and (T0367)S99.CA only 0.000 apart, marking (T0367)S99.CA as missing WARNING: atoms too close: (T0367)V98.CB and (T0367)S99.CB only 0.000 apart, marking (T0367)S99.CB as missing WARNING: atoms too close: (T0367)E97.CB and (T0367)S99.CB only 0.000 apart, marking (T0367)S99.CB as missing WARNING: atoms too close: (T0367)A83.CB and (T0367)S99.CB only 0.000 apart, marking (T0367)S99.CB as missing WARNING: atoms too close: (T0367)R82.CB and (T0367)S99.CB only 0.000 apart, marking (T0367)S99.CB as missing WARNING: atoms too close: (T0367)S81.CB and (T0367)S99.CB only 0.000 apart, marking (T0367)S99.CB as missing WARNING: atoms too close: (T0367)L80.CB and (T0367)S99.CB only 0.000 apart, marking (T0367)S99.CB as missing WARNING: atoms too close: (T0367)K79.CB and (T0367)S99.CB only 0.000 apart, marking (T0367)S99.CB as missing WARNING: atoms too close: (T0367)S78.CB and (T0367)S99.CB only 0.000 apart, marking (T0367)S99.CB as missing WARNING: atoms too close: (T0367)C77.CB and (T0367)S99.CB only 0.000 apart, marking (T0367)S99.CB as missing WARNING: atoms too close: (T0367)D76.CB and (T0367)S99.CB only 0.000 apart, marking (T0367)S99.CB as missing WARNING: atoms too close: (T0367)D75.CB and (T0367)S99.CB only 0.000 apart, marking (T0367)S99.CB as missing WARNING: atoms too close: (T0367)D74.CB and (T0367)S99.CB only 0.000 apart, marking (T0367)S99.CB as missing WARNING: atoms too close: (T0367)S73.CB and (T0367)S99.CB only 0.000 apart, marking (T0367)S99.CB as missing WARNING: atoms too close: (T0367)L72.CB and (T0367)S99.CB only 0.000 apart, marking (T0367)S99.CB as missing WARNING: atoms too close: (T0367)R29.CB and (T0367)S99.CB only 0.000 apart, marking (T0367)S99.CB as missing WARNING: atoms too close: (T0367)E28.CB and (T0367)S99.CB only 0.000 apart, marking (T0367)S99.CB as missing WARNING: atoms too close: (T0367)Y27.CB and (T0367)S99.CB only 0.000 apart, marking (T0367)S99.CB as missing WARNING: atoms too close: (T0367)L26.CB and (T0367)S99.CB only 0.000 apart, marking (T0367)S99.CB as missing WARNING: atoms too close: (T0367)M24.CB and (T0367)S99.CB only 0.000 apart, marking (T0367)S99.CB as missing WARNING: atoms too close: (T0367)V98.O and (T0367)S99.O only 0.000 apart, marking (T0367)S99.O as missing WARNING: atoms too close: (T0367)E97.O and (T0367)S99.O only 0.000 apart, marking (T0367)S99.O as missing WARNING: atoms too close: (T0367)A83.O and (T0367)S99.O only 0.000 apart, marking (T0367)S99.O as missing WARNING: atoms too close: (T0367)R82.O and (T0367)S99.O only 0.000 apart, marking (T0367)S99.O as missing WARNING: atoms too close: (T0367)S81.O and (T0367)S99.O only 0.000 apart, marking (T0367)S99.O as missing WARNING: atoms too close: (T0367)L80.O and (T0367)S99.O only 0.000 apart, marking (T0367)S99.O as missing WARNING: atoms too close: (T0367)K79.O and (T0367)S99.O only 0.000 apart, marking (T0367)S99.O as missing WARNING: atoms too close: (T0367)S78.O and (T0367)S99.O only 0.000 apart, marking (T0367)S99.O as missing WARNING: atoms too close: (T0367)C77.O and (T0367)S99.O only 0.000 apart, marking (T0367)S99.O as missing WARNING: atoms too close: (T0367)D76.O and (T0367)S99.O only 0.000 apart, marking (T0367)S99.O as missing WARNING: atoms too close: (T0367)D75.O and (T0367)S99.O only 0.000 apart, marking (T0367)S99.O as missing WARNING: atoms too close: (T0367)D74.O and (T0367)S99.O only 0.000 apart, marking (T0367)S99.O as missing WARNING: atoms too close: (T0367)S73.O and (T0367)S99.O only 0.000 apart, marking (T0367)S99.O as missing WARNING: atoms too close: (T0367)L72.O and (T0367)S99.O only 0.000 apart, marking (T0367)S99.O as missing WARNING: atoms too close: (T0367)R29.O and (T0367)S99.O only 0.000 apart, marking (T0367)S99.O as missing WARNING: atoms too close: (T0367)E28.O and (T0367)S99.O only 0.000 apart, marking (T0367)S99.O as missing WARNING: atoms too close: (T0367)Y27.O and (T0367)S99.O only 0.000 apart, marking (T0367)S99.O as missing WARNING: atoms too close: (T0367)L26.O and (T0367)S99.O only 0.000 apart, marking (T0367)S99.O as missing WARNING: atoms too close: (T0367)G25.O and (T0367)S99.O only 0.000 apart, marking (T0367)S99.O as missing WARNING: atoms too close: (T0367)M24.O and (T0367)S99.O only 0.000 apart, marking (T0367)S99.O as missing WARNING: atoms too close: (T0367)V98.C and (T0367)S99.C only 0.000 apart, marking (T0367)S99.C as missing WARNING: atoms too close: (T0367)E97.C and (T0367)S99.C only 0.000 apart, marking (T0367)S99.C as missing WARNING: atoms too close: (T0367)A83.C and (T0367)S99.C only 0.000 apart, marking (T0367)S99.C as missing WARNING: atoms too close: (T0367)R82.C and (T0367)S99.C only 0.000 apart, marking (T0367)S99.C as missing WARNING: atoms too close: (T0367)S81.C and (T0367)S99.C only 0.000 apart, marking (T0367)S99.C as missing WARNING: atoms too close: (T0367)L80.C and (T0367)S99.C only 0.000 apart, marking (T0367)S99.C as missing WARNING: atoms too close: (T0367)K79.C and (T0367)S99.C only 0.000 apart, marking (T0367)S99.C as missing WARNING: atoms too close: (T0367)S78.C and (T0367)S99.C only 0.000 apart, marking (T0367)S99.C as missing WARNING: atoms too close: (T0367)C77.C and (T0367)S99.C only 0.000 apart, marking (T0367)S99.C as missing WARNING: atoms too close: (T0367)D76.C and (T0367)S99.C only 0.000 apart, marking (T0367)S99.C as missing WARNING: atoms too close: (T0367)D75.C and (T0367)S99.C only 0.000 apart, marking (T0367)S99.C as missing WARNING: atoms too close: (T0367)D74.C and (T0367)S99.C only 0.000 apart, marking (T0367)S99.C as missing WARNING: atoms too close: (T0367)S73.C and (T0367)S99.C only 0.000 apart, marking (T0367)S99.C as missing WARNING: atoms too close: (T0367)L72.C and (T0367)S99.C only 0.000 apart, marking (T0367)S99.C as missing WARNING: atoms too close: (T0367)R29.C and (T0367)S99.C only 0.000 apart, marking (T0367)S99.C as missing WARNING: atoms too close: (T0367)E28.C and (T0367)S99.C only 0.000 apart, marking (T0367)S99.C as missing WARNING: atoms too close: (T0367)Y27.C and (T0367)S99.C only 0.000 apart, marking (T0367)S99.C as missing WARNING: atoms too close: (T0367)L26.C and (T0367)S99.C only 0.000 apart, marking (T0367)S99.C as missing WARNING: atoms too close: (T0367)G25.C and (T0367)S99.C only 0.000 apart, marking (T0367)S99.C as missing WARNING: atoms too close: (T0367)M24.C and (T0367)S99.C only 0.000 apart, marking (T0367)S99.C as missing # WARNING: incomplete conformation T0367 can't currently be optimized by undertaker # naming current conformation panther2_TS1 # request to SCWRL produces command: ulimit -t 113 ; scwrl3 -i /var/tmp/to_scwrl_1262271788.pdb -s /var/tmp/to_scwrl_1262271788.seq -o /var/tmp/from_scwrl_1262271788.pdb > /var/tmp/scwrl_1262271788.log Error: Couldn't open file /var/tmp/from_scwrl_1262271788.pdb or /var/tmp/from_scwrl_1262271788.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1262271788_b.pdb or decoys//var/tmp/from_scwrl_1262271788_b.pdb.gz for input Trying /var/tmp/from_scwrl_1262271788_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1262271788_b.pdb or /var/tmp/from_scwrl_1262271788_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1262271788_a.pdb or decoys//var/tmp/from_scwrl_1262271788_a.pdb.gz for input Trying /var/tmp/from_scwrl_1262271788_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1262271788_a.pdb or /var/tmp/from_scwrl_1262271788_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1262271788.pdb or /var/tmp/from_scwrl_1262271788_b.pdb or /var/tmp/from_scwrl_1262271788_a.pdb Error: no new SCWRL conformation added # naming current conformation panther2_TS1-scwrl # ReadConformPDB reading from PDB file servers/panther3_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0367 can't currently be optimized by undertaker # naming current conformation panther3_TS1 # request to SCWRL produces command: ulimit -t 113 ; scwrl3 -i /var/tmp/to_scwrl_415477101.pdb -s /var/tmp/to_scwrl_415477101.seq -o /var/tmp/from_scwrl_415477101.pdb > /var/tmp/scwrl_415477101.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_415477101.pdb # conformation set from SCWRL output # naming current conformation panther3_TS1-scwrl # ReadConformPDB reading from PDB file servers/shub_TS1.pdb.gz looking for model 1 # Found a chain break before 122 # copying to AlignedFragments data structure # naming current conformation shub_TS1 # request to SCWRL produces command: ulimit -t 113 ; scwrl3 -i /var/tmp/to_scwrl_1968774531.pdb -s /var/tmp/to_scwrl_1968774531.seq -o /var/tmp/from_scwrl_1968774531.pdb > /var/tmp/scwrl_1968774531.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1968774531.pdb # conformation set from SCWRL output # naming current conformation shub_TS1-scwrl # command:CPU_time= 48.258 sec, elapsed time= 1320.355 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 39.746 real_cost = -126.563 shub_TS1 costs 39.746 real_cost = -131.979 panther3_TS1-scwrl costs 128.552 real_cost = 471.554 panther3_TS1 costs 128.528 real_cost = 470.669 panther2_TS1-scwrl costs 143.224 real_cost = 314.043 nFOLD_TS5-scwrl costs 70.482 real_cost = 179.146 nFOLD_TS5 costs 70.510 real_cost = 222.854 nFOLD_TS4-scwrl costs 50.583 real_cost = -23.989 nFOLD_TS4 costs 50.551 real_cost = 29.906 nFOLD_TS3-scwrl costs 112.081 real_cost = 258.888 nFOLD_TS3 costs 112.081 real_cost = 320.394 nFOLD_TS2-scwrl costs 108.619 real_cost = 273.276 nFOLD_TS2 costs 108.619 real_cost = 335.784 nFOLD_TS1-scwrl costs 57.991 real_cost = -69.019 nFOLD_TS1 costs 58.043 real_cost = -15.735 mGen-3D_TS1-scwrl costs 50.828 real_cost = -112.515 mGen-3D_TS1 costs 50.838 real_cost = -52.121 keasar-server_TS5-scwrl costs 54.388 real_cost = -80.289 keasar-server_TS5 costs 54.388 real_cost = -71.170 keasar-server_TS4-scwrl costs 56.120 real_cost = -54.436 keasar-server_TS4 costs 56.120 real_cost = -40.869 keasar-server_TS3-scwrl costs 54.007 real_cost = -102.360 keasar-server_TS3 costs 54.007 real_cost = -87.158 keasar-server_TS2-scwrl costs 55.459 real_cost = -117.880 keasar-server_TS2 costs 55.459 real_cost = -107.369 keasar-server_TS1-scwrl costs 38.694 real_cost = -158.449 keasar-server_TS1 costs 38.694 real_cost = -140.409 karypis.srv_TS5-scwrl costs 45.555 real_cost = 104.128 karypis.srv_TS5 costs 45.545 real_cost = 99.730 karypis.srv_TS4-scwrl costs 52.481 real_cost = 63.947 karypis.srv_TS4 costs 52.442 real_cost = 56.052 karypis.srv_TS3-scwrl costs 92.896 real_cost = 131.692 karypis.srv_TS3 costs 92.896 real_cost = 132.151 karypis.srv_TS2-scwrl costs 50.753 real_cost = 101.811 karypis.srv_TS2 costs 50.699 real_cost = 99.371 karypis.srv_TS1-scwrl costs 35.411 real_cost = -186.553 karypis.srv_TS1 costs 35.392 real_cost = -194.227 karypis.srv.2_TS5-scwrl costs 65.540 real_cost = 68.072 karypis.srv.2_TS5 costs 65.540 real_cost = 68.072 karypis.srv.2_TS4-scwrl costs 67.843 real_cost = -42.334 karypis.srv.2_TS4 costs 67.843 real_cost = -42.899 karypis.srv.2_TS3-scwrl costs 59.924 real_cost = -57.223 karypis.srv.2_TS3 costs 59.924 real_cost = -58.556 karypis.srv.2_TS2-scwrl costs 49.432 real_cost = -65.976 karypis.srv.2_TS2 costs 49.432 real_cost = -65.976 karypis.srv.2_TS1-scwrl costs 57.629 real_cost = -57.774 karypis.srv.2_TS1 costs 57.629 real_cost = -57.774 forecast-s_AL5-scwrl costs 115.444 real_cost = 356.466 forecast-s_AL5 costs 115.596 real_cost = 397.786 forecast-s_AL4-scwrl costs 143.890 real_cost = 311.599 forecast-s_AL4 costs 143.930 real_cost = 366.375 forecast-s_AL3-scwrl costs 107.424 real_cost = 289.920 forecast-s_AL3 costs 107.404 real_cost = 331.731 forecast-s_AL2-scwrl costs 62.122 real_cost = 127.364 forecast-s_AL2 costs 62.053 real_cost = 177.318 forecast-s_AL1-scwrl costs 56.479 real_cost = -38.073 forecast-s_AL1 costs 56.482 real_cost = 29.355 beautshotbase_TS1-scwrl costs 46.436 real_cost = -102.284 beautshotbase_TS1 costs 46.417 real_cost = -106.382 beautshot_TS1-scwrl costs 47.327 real_cost = -124.410 beautshot_TS1 costs 47.327 real_cost = -128.414 Zhang-Server_TS5-scwrl costs 33.253 real_cost = -162.583 Zhang-Server_TS5 costs 33.253 real_cost = -162.583 Zhang-Server_TS4-scwrl costs 41.673 real_cost = -176.635 Zhang-Server_TS4 costs 41.673 real_cost = -176.635 Zhang-Server_TS3-scwrl costs 30.730 real_cost = -201.723 Zhang-Server_TS3 costs 30.730 real_cost = -201.723 Zhang-Server_TS2-scwrl costs 33.755 real_cost = -195.243 Zhang-Server_TS2 costs 33.755 real_cost = -195.243 Zhang-Server_TS1-scwrl costs 30.873 real_cost = -209.841 Zhang-Server_TS1 costs 30.873 real_cost = -209.841 UNI-EID_sfst_AL3-scwrl costs 61.632 real_cost = -87.978 UNI-EID_sfst_AL3 costs 61.678 real_cost = -12.519 UNI-EID_sfst_AL2-scwrl costs 49.949 real_cost = -101.471 UNI-EID_sfst_AL2 costs 49.914 real_cost = -24.060 UNI-EID_sfst_AL1-scwrl costs 54.947 real_cost = -47.077 UNI-EID_sfst_AL1 costs 54.917 real_cost = 25.225 UNI-EID_expm_TS1-scwrl costs 62.860 real_cost = -119.754 UNI-EID_expm_TS1 costs 62.860 real_cost = -51.136 UNI-EID_bnmx_TS3-scwrl costs 60.239 real_cost = -89.118 UNI-EID_bnmx_TS3 costs 60.231 real_cost = -12.665 UNI-EID_bnmx_TS2-scwrl costs 50.624 real_cost = -99.842 UNI-EID_bnmx_TS2 costs 50.639 real_cost = -21.446 UNI-EID_bnmx_TS1-scwrl costs 54.947 real_cost = -47.077 UNI-EID_bnmx_TS1 costs 54.917 real_cost = 25.225 SPARKS2_TS5-scwrl costs 114.632 real_cost = 214.115 SPARKS2_TS5 costs 114.632 real_cost = 225.225 SPARKS2_TS4-scwrl costs 80.896 real_cost = 175.308 SPARKS2_TS4 costs 80.896 real_cost = 188.457 SPARKS2_TS3-scwrl costs 49.133 real_cost = -85.782 SPARKS2_TS3 costs 49.133 real_cost = -78.225 SPARKS2_TS2-scwrl costs 43.730 real_cost = -186.632 SPARKS2_TS2 costs 43.730 real_cost = -182.712 SPARKS2_TS1-scwrl costs 49.818 real_cost = -177.798 SPARKS2_TS1 costs 49.818 real_cost = -173.971 SP4_TS5-scwrl costs 61.663 real_cost = 156.418 SP4_TS5 costs 61.663 real_cost = 158.845 SP4_TS4-scwrl costs 55.971 real_cost = 5.395 SP4_TS4 costs 55.971 real_cost = 6.740 SP4_TS3-scwrl costs 50.039 real_cost = -109.166 SP4_TS3 costs 50.039 real_cost = -102.540 SP4_TS2-scwrl costs 39.868 real_cost = -130.088 SP4_TS2 costs 39.868 real_cost = -122.619 SP4_TS1-scwrl costs 51.994 real_cost = -122.148 SP4_TS1 costs 51.994 real_cost = -115.909 SP3_TS5-scwrl costs 80.409 real_cost = 184.721 SP3_TS5 costs 80.409 real_cost = 190.921 SP3_TS4-scwrl costs 52.492 real_cost = 51.580 SP3_TS4 costs 52.492 real_cost = 54.785 SP3_TS3-scwrl costs 53.697 real_cost = -107.787 SP3_TS3 costs 53.697 real_cost = -102.877 SP3_TS2-scwrl costs 35.434 real_cost = -196.879 SP3_TS2 costs 35.434 real_cost = -195.316 SP3_TS1-scwrl costs 50.546 real_cost = -165.898 SP3_TS1 costs 50.546 real_cost = -157.998 SAM_T06_server_TS5-scwrl costs 67.627 real_cost = 256.991 SAM_T06_server_TS5 costs 67.611 real_cost = 232.965 SAM_T06_server_TS4-scwrl costs 51.208 real_cost = 23.623 SAM_T06_server_TS4 costs 51.184 real_cost = 5.625 SAM_T06_server_TS3-scwrl costs 53.136 real_cost = -66.227 SAM_T06_server_TS3 costs 53.282 real_cost = -96.171 SAM_T06_server_TS2-scwrl costs 61.871 real_cost = -46.943 SAM_T06_server_TS2 costs 62.014 real_cost = -73.197 SAM_T06_server_TS1-scwrl costs 44.644 real_cost = 7.881 SAM_T06_server_TS1 costs 44.644 real_cost = 7.764 SAM-T99_AL5-scwrl costs 58.088 real_cost = 46.394 SAM-T99_AL5 costs 58.088 real_cost = 104.023 SAM-T99_AL4-scwrl costs 66.139 real_cost = -94.037 SAM-T99_AL4 costs 66.115 real_cost = -16.736 SAM-T99_AL3-scwrl costs 72.034 real_cost = 41.055 SAM-T99_AL3 costs 72.015 real_cost = 107.364 SAM-T99_AL2-scwrl costs 71.086 real_cost = 40.458 SAM-T99_AL2 costs 71.067 real_cost = 112.499 SAM-T99_AL1-scwrl costs 71.856 real_cost = 45.878 SAM-T99_AL1 costs 71.837 real_cost = 113.744 SAM-T02_AL5-scwrl costs 151.672 real_cost = 319.772 SAM-T02_AL5 costs 151.687 real_cost = 395.317 SAM-T02_AL4-scwrl costs 151.176 real_cost = 318.136 SAM-T02_AL4 costs 151.176 real_cost = 393.880 SAM-T02_AL3-scwrl costs 64.444 real_cost = 90.627 SAM-T02_AL3 costs 64.417 real_cost = 161.743 SAM-T02_AL2-scwrl costs 60.722 real_cost = 57.642 SAM-T02_AL2 costs 60.733 real_cost = 132.623 SAM-T02_AL1-scwrl costs 72.531 real_cost = 44.715 SAM-T02_AL1 costs 72.520 real_cost = 122.314 ROKKY_TS3-scwrl costs 47.099 real_cost = -128.900 ROKKY_TS3 costs 47.099 real_cost = -119.103 ROKKY_TS2-scwrl costs 57.477 real_cost = -68.743 ROKKY_TS2 costs 57.477 real_cost = -70.751 ROKKY_TS1-scwrl costs 50.777 real_cost = -107.240 ROKKY_TS1 costs 50.777 real_cost = -100.687 ROBETTA_TS5-scwrl costs 32.221 real_cost = -138.321 ROBETTA_TS5 costs 32.221 real_cost = -134.476 ROBETTA_TS4-scwrl costs 36.630 real_cost = -126.365 ROBETTA_TS4 costs 36.630 real_cost = -127.174 ROBETTA_TS3-scwrl costs 30.850 real_cost = -164.577 ROBETTA_TS3 costs 30.850 real_cost = -157.129 ROBETTA_TS2-scwrl costs 41.185 real_cost = -104.273 ROBETTA_TS2 costs 41.185 real_cost = -104.818 ROBETTA_TS1-scwrl costs 36.870 real_cost = -129.611 ROBETTA_TS1 costs 36.870 real_cost = -124.976 RAPTOR_TS5-scwrl costs 50.816 real_cost = -123.103 RAPTOR_TS5 costs 50.816 real_cost = -121.234 RAPTOR_TS4-scwrl costs 39.930 real_cost = -167.159 RAPTOR_TS4 costs 39.930 real_cost = -157.780 RAPTOR_TS3-scwrl costs 39.930 real_cost = -167.159 RAPTOR_TS3 costs 39.930 real_cost = -157.780 RAPTOR_TS2-scwrl costs 39.930 real_cost = -167.159 RAPTOR_TS2 costs 39.930 real_cost = -157.780 RAPTOR_TS1-scwrl costs 42.090 real_cost = -171.615 RAPTOR_TS1 costs 42.090 real_cost = -165.461 RAPTORESS_TS5-scwrl costs 55.915 real_cost = -97.341 RAPTORESS_TS5 costs 55.915 real_cost = -97.654 RAPTORESS_TS4-scwrl costs 45.507 real_cost = -152.732 RAPTORESS_TS4 costs 45.507 real_cost = -148.207 RAPTORESS_TS3-scwrl costs 45.507 real_cost = -152.732 RAPTORESS_TS3 costs 45.507 real_cost = -148.207 RAPTORESS_TS2-scwrl costs 45.507 real_cost = -152.732 RAPTORESS_TS2 costs 45.507 real_cost = -148.207 RAPTORESS_TS1-scwrl costs 44.127 real_cost = -163.011 RAPTORESS_TS1 costs 44.127 real_cost = -160.296 RAPTOR-ACE_TS5-scwrl costs 50.546 real_cost = -165.898 RAPTOR-ACE_TS5 costs 50.546 real_cost = -157.998 RAPTOR-ACE_TS4-scwrl costs 39.318 real_cost = -182.810 RAPTOR-ACE_TS4 costs 39.318 real_cost = -173.959 RAPTOR-ACE_TS3-scwrl costs 35.434 real_cost = -196.879 RAPTOR-ACE_TS3 costs 35.434 real_cost = -195.316 RAPTOR-ACE_TS2-scwrl costs 47.426 real_cost = -122.178 RAPTOR-ACE_TS2 costs 47.426 real_cost = -118.284 RAPTOR-ACE_TS1-scwrl costs 51.148 real_cost = -75.238 RAPTOR-ACE_TS1 costs 51.148 real_cost = -72.337 Pmodeller6_TS5-scwrl costs 33.199 real_cost = -224.016 Pmodeller6_TS5 costs 33.180 real_cost = -229.763 Pmodeller6_TS4-scwrl costs 32.221 real_cost = -138.321 Pmodeller6_TS4 costs 32.221 real_cost = -134.476 Pmodeller6_TS3-scwrl costs 36.630 real_cost = -126.365 Pmodeller6_TS3 costs 36.630 real_cost = -127.174 Pmodeller6_TS2-scwrl costs 41.185 real_cost = -104.273 Pmodeller6_TS2 costs 41.185 real_cost = -104.818 Pmodeller6_TS1-scwrl costs 36.870 real_cost = -129.611 Pmodeller6_TS1 costs 36.870 real_cost = -124.976 Phyre-2_TS5-scwrl costs 48.273 real_cost = -96.721 Phyre-2_TS5 costs 48.273 real_cost = -93.695 Phyre-2_TS4-scwrl costs 40.765 real_cost = -118.513 Phyre-2_TS4 costs 40.765 real_cost = -121.210 Phyre-2_TS3-scwrl costs 40.899 real_cost = -113.905 Phyre-2_TS3 costs 40.899 real_cost = -115.725 Phyre-2_TS2-scwrl costs 40.265 real_cost = -114.019 Phyre-2_TS2 costs 40.265 real_cost = -115.895 Phyre-2_TS1-scwrl costs 39.286 real_cost = -122.175 Phyre-2_TS1 costs 39.286 real_cost = -119.067 Phyre-1_TS1-scwrl costs 50.850 real_cost = -76.830 Phyre-1_TS1 costs 50.862 real_cost = -83.796 Pcons6_TS5-scwrl costs 47.074 real_cost = -147.268 Pcons6_TS5 costs 47.066 real_cost = -153.148 Pcons6_TS4-scwrl costs 43.563 real_cost = -171.705 Pcons6_TS4 costs 43.574 real_cost = -175.725 Pcons6_TS3-scwrl costs 33.955 real_cost = -200.013 Pcons6_TS3 costs 33.964 real_cost = -202.077 Pcons6_TS2-scwrl costs 35.467 real_cost = -218.427 Pcons6_TS2 costs 35.448 real_cost = -224.485 Pcons6_TS1-scwrl costs 35.467 real_cost = -218.427 Pcons6_TS1 costs 35.448 real_cost = -224.485 PROTINFO_TS5-scwrl costs 42.206 real_cost = -159.006 PROTINFO_TS5 costs 42.206 real_cost = -160.426 PROTINFO_TS4-scwrl costs 36.991 real_cost = -169.059 PROTINFO_TS4 costs 36.991 real_cost = -167.339 PROTINFO_TS3-scwrl costs 42.237 real_cost = -180.545 PROTINFO_TS3 costs 42.237 real_cost = -181.602 PROTINFO_TS2-scwrl costs 52.896 real_cost = -166.086 PROTINFO_TS2 costs 52.896 real_cost = -161.398 PROTINFO_TS1-scwrl costs 46.211 real_cost = -174.098 PROTINFO_TS1 costs 46.211 real_cost = -175.315 PROTINFO-AB_TS5-scwrl costs 36.589 real_cost = -180.056 PROTINFO-AB_TS5 costs 36.589 real_cost = -181.605 PROTINFO-AB_TS4-scwrl costs 35.852 real_cost = -176.251 PROTINFO-AB_TS4 costs 35.852 real_cost = -178.639 PROTINFO-AB_TS3-scwrl costs 34.430 real_cost = -175.299 PROTINFO-AB_TS3 costs 34.430 real_cost = -176.380 PROTINFO-AB_TS2-scwrl costs 36.551 real_cost = -155.541 PROTINFO-AB_TS2 costs 36.551 real_cost = -158.567 PROTINFO-AB_TS1-scwrl costs 43.357 real_cost = -175.860 PROTINFO-AB_TS1 costs 43.357 real_cost = -174.410 POMYSL_TS5-scwrl costs 158.397 real_cost = 224.989 POMYSL_TS5 costs 158.397 real_cost = 220.144 POMYSL_TS4-scwrl costs 140.098 real_cost = 176.711 POMYSL_TS4 costs 140.098 real_cost = 204.944 POMYSL_TS3-scwrl costs 134.680 real_cost = 180.210 POMYSL_TS3 costs 134.680 real_cost = 196.247 POMYSL_TS2-scwrl costs 143.679 real_cost = 184.178 POMYSL_TS2 costs 143.679 real_cost = 208.481 POMYSL_TS1-scwrl costs 158.397 real_cost = 224.989 POMYSL_TS1 costs 158.397 real_cost = 220.144 NN_PUT_lab_TS1-scwrl costs 57.991 real_cost = -69.019 NN_PUT_lab_TS1 costs 58.043 real_cost = -15.735 MetaTasser_TS3-scwrl costs 47.685 real_cost = -194.732 MetaTasser_TS3 costs 47.685 real_cost = -194.806 MetaTasser_TS2-scwrl costs 45.652 real_cost = -160.035 MetaTasser_TS2 costs 45.652 real_cost = -151.761 MetaTasser_TS1-scwrl costs 43.357 real_cost = -199.398 MetaTasser_TS1 costs 43.357 real_cost = -197.345 Ma-OPUS-server_TS5-scwrl costs 37.285 real_cost = 173.199 Ma-OPUS-server_TS5 costs 37.285 real_cost = 175.694 Ma-OPUS-server_TS4-scwrl costs 66.729 real_cost = 140.589 Ma-OPUS-server_TS4 costs 66.729 real_cost = 150.140 Ma-OPUS-server_TS3-scwrl costs 48.359 real_cost = -100.320 Ma-OPUS-server_TS3 costs 48.359 real_cost = -103.373 Ma-OPUS-server_TS2-scwrl costs 47.819 real_cost = -130.280 Ma-OPUS-server_TS2 costs 47.819 real_cost = -132.766 Ma-OPUS-server_TS1-scwrl costs 49.018 real_cost = -111.085 Ma-OPUS-server_TS1 costs 49.018 real_cost = -110.689 Ma-OPUS-server2_TS5-scwrl costs 75.223 real_cost = 168.875 Ma-OPUS-server2_TS5 costs 75.223 real_cost = 173.908 Ma-OPUS-server2_TS4-scwrl costs 58.592 real_cost = 140.534 Ma-OPUS-server2_TS4 costs 58.592 real_cost = 148.821 Ma-OPUS-server2_TS3-scwrl costs 48.359 real_cost = -100.320 Ma-OPUS-server2_TS3 costs 48.359 real_cost = -103.373 Ma-OPUS-server2_TS2-scwrl costs 39.238 real_cost = -152.807 Ma-OPUS-server2_TS2 costs 39.238 real_cost = -149.177 Ma-OPUS-server2_TS1-scwrl costs 55.666 real_cost = -115.225 Ma-OPUS-server2_TS1 costs 55.666 real_cost = -111.778 MIG_FROST_AL1-scwrl costs 54.697 real_cost = -65.245 MIG_FROST_AL1 costs 54.795 real_cost = 4.993 LOOPP_TS5-scwrl costs 50.973 real_cost = 36.600 LOOPP_TS5 costs 50.953 real_cost = 39.045 LOOPP_TS4-scwrl costs 52.047 real_cost = 40.777 LOOPP_TS4 costs 52.058 real_cost = 44.906 LOOPP_TS3-scwrl costs 48.024 real_cost = 12.951 LOOPP_TS3 costs 48.036 real_cost = 10.092 LOOPP_TS2-scwrl costs 41.961 real_cost = -159.676 LOOPP_TS2 costs 41.982 real_cost = -164.438 LOOPP_TS1-scwrl costs 41.228 real_cost = -71.435 LOOPP_TS1 costs 41.249 real_cost = -69.078 Huber-Torda-Server_TS5-scwrl costs 86.925 real_cost = 277.628 Huber-Torda-Server_TS5 costs 86.671 real_cost = 313.623 Huber-Torda-Server_TS4-scwrl costs 51.417 real_cost = -12.569 Huber-Torda-Server_TS4 costs 51.374 real_cost = 38.994 Huber-Torda-Server_TS3-scwrl costs 53.732 real_cost = -59.117 Huber-Torda-Server_TS3 costs 53.844 real_cost = -11.429 Huber-Torda-Server_TS2-scwrl costs 56.955 real_cost = -105.272 Huber-Torda-Server_TS2 costs 57.114 real_cost = -54.815 Huber-Torda-Server_TS1-scwrl costs 55.079 real_cost = -133.717 Huber-Torda-Server_TS1 costs 55.119 real_cost = -77.305 HHpred3_TS1-scwrl costs 42.504 real_cost = -138.158 HHpred3_TS1 costs 42.504 real_cost = -132.852 HHpred2_TS1-scwrl costs 42.504 real_cost = -138.158 HHpred2_TS1 costs 42.504 real_cost = -132.852 HHpred1_TS1-scwrl costs 45.887 real_cost = -127.905 HHpred1_TS1 costs 45.887 real_cost = -124.826 GeneSilicoMetaServer_TS5-scwrl costs 36.011 real_cost = -190.813 GeneSilicoMetaServer_TS5 costs 35.992 real_cost = -188.174 GeneSilicoMetaServer_TS4-scwrl costs 51.903 real_cost = -159.952 GeneSilicoMetaServer_TS4 costs 51.912 real_cost = -156.769 GeneSilicoMetaServer_TS3-scwrl costs 45.957 real_cost = -123.688 GeneSilicoMetaServer_TS3 costs 45.957 real_cost = -121.681 GeneSilicoMetaServer_TS2-scwrl costs 51.853 real_cost = -75.755 GeneSilicoMetaServer_TS2 costs 51.834 real_cost = -76.434 GeneSilicoMetaServer_TS1-scwrl costs 46.832 real_cost = -134.708 GeneSilicoMetaServer_TS1 costs 46.832 real_cost = -128.694 Frankenstein_TS5-scwrl costs 46.181 real_cost = 29.289 Frankenstein_TS5 costs 46.181 real_cost = 30.528 Frankenstein_TS4-scwrl costs 63.723 real_cost = -68.114 Frankenstein_TS4 costs 63.723 real_cost = -68.554 Frankenstein_TS3-scwrl costs 50.545 real_cost = -68.272 Frankenstein_TS3 costs 50.545 real_cost = -69.604 Frankenstein_TS2-scwrl costs 48.457 real_cost = -59.096 Frankenstein_TS2 costs 48.457 real_cost = -55.102 Frankenstein_TS1-scwrl costs 53.197 real_cost = -61.926 Frankenstein_TS1 costs 53.197 real_cost = -57.295 FUNCTION_TS5-scwrl costs 103.359 real_cost = 150.435 FUNCTION_TS5 costs 103.359 real_cost = 160.059 FUNCTION_TS4-scwrl costs 54.595 real_cost = -104.810 FUNCTION_TS4 costs 54.620 real_cost = -100.328 FUNCTION_TS3-scwrl costs 48.836 real_cost = -96.717 FUNCTION_TS3 costs 48.836 real_cost = -91.656 FUNCTION_TS2-scwrl costs 53.980 real_cost = -100.607 FUNCTION_TS2 costs 53.985 real_cost = -93.542 FUNCTION_TS1-scwrl costs 53.087 real_cost = -112.453 FUNCTION_TS1 costs 53.112 real_cost = -108.225 FUGUE_AL5-scwrl costs 74.300 real_cost = 199.214 FUGUE_AL5 costs 74.277 real_cost = 279.487 FUGUE_AL4-scwrl costs 58.684 real_cost = 231.572 FUGUE_AL4 costs 58.684 real_cost = 228.074 FUGUE_AL3-scwrl costs 65.747 real_cost = 265.143 FUGUE_AL3 costs 65.688 real_cost = 331.684 FUGUE_AL2-scwrl costs 82.130 real_cost = 180.610 FUGUE_AL2 costs 82.130 real_cost = 273.639 FUGUE_AL1-scwrl costs 55.546 real_cost = -73.953 FUGUE_AL1 costs 55.576 real_cost = -0.436 FUGMOD_TS5-scwrl costs 83.699 real_cost = 166.880 FUGMOD_TS5 costs 83.699 real_cost = 174.700 FUGMOD_TS4-scwrl costs 68.815 real_cost = 138.239 FUGMOD_TS4 costs 68.815 real_cost = 141.330 FUGMOD_TS3-scwrl costs 69.787 real_cost = 184.279 FUGMOD_TS3 costs 69.820 real_cost = 184.331 FUGMOD_TS2-scwrl costs 89.804 real_cost = 175.741 FUGMOD_TS2 costs 89.804 real_cost = 184.191 FUGMOD_TS1-scwrl costs 48.276 real_cost = -119.386 FUGMOD_TS1 costs 48.254 real_cost = -114.862 FORTE2_AL5-scwrl costs 74.391 real_cost = 217.377 FORTE2_AL5 costs 74.309 real_cost = 306.655 FORTE2_AL4-scwrl costs 53.616 real_cost = 94.925 FORTE2_AL4 costs 53.581 real_cost = 174.378 FORTE2_AL3-scwrl costs 62.145 real_cost = 157.116 FORTE2_AL3 costs 62.273 real_cost = 213.940 FORTE2_AL2-scwrl costs 56.542 real_cost = 97.977 FORTE2_AL2 costs 56.647 real_cost = 166.994 FORTE2_AL1-scwrl costs 54.582 real_cost = -52.361 FORTE2_AL1 costs 54.578 real_cost = 27.341 FORTE1_AL5-scwrl costs 79.840 real_cost = 209.600 FORTE1_AL5 costs 79.832 real_cost = 287.926 FORTE1_AL4-scwrl costs 53.616 real_cost = 94.925 FORTE1_AL4 costs 53.581 real_cost = 174.378 FORTE1_AL3-scwrl costs 64.250 real_cost = 188.984 FORTE1_AL3 costs 64.333 real_cost = 240.701 FORTE1_AL2-scwrl costs 56.542 real_cost = 97.977 FORTE1_AL2 costs 56.647 real_cost = 166.994 FORTE1_AL1-scwrl costs 54.582 real_cost = -52.361 FORTE1_AL1 costs 54.578 real_cost = 27.341 FOLDpro_TS5-scwrl costs 50.357 real_cost = 14.129 FOLDpro_TS5 costs 50.357 real_cost = 13.825 FOLDpro_TS4-scwrl costs 59.414 real_cost = -75.335 FOLDpro_TS4 costs 59.414 real_cost = -70.228 FOLDpro_TS3-scwrl costs 39.865 real_cost = -189.502 FOLDpro_TS3 costs 39.865 real_cost = -182.802 FOLDpro_TS2-scwrl costs 39.288 real_cost = -149.329 FOLDpro_TS2 costs 39.288 real_cost = -141.418 FOLDpro_TS1-scwrl costs 36.861 real_cost = -160.743 FOLDpro_TS1 costs 36.861 real_cost = -150.624 FAMS_TS5-scwrl costs 48.836 real_cost = -96.717 FAMS_TS5 costs 48.836 real_cost = -91.656 FAMS_TS4-scwrl costs 34.267 real_cost = -197.354 FAMS_TS4 costs 34.267 real_cost = -193.970 FAMS_TS3-scwrl costs 42.344 real_cost = -188.893 FAMS_TS3 costs 42.344 real_cost = -180.381 FAMS_TS2-scwrl costs 40.290 real_cost = -165.121 FAMS_TS2 costs 40.271 real_cost = -167.901 FAMS_TS1-scwrl costs 44.397 real_cost = -168.339 FAMS_TS1 costs 44.397 real_cost = -165.565 FAMSD_TS5-scwrl costs 60.140 real_cost = -28.356 FAMSD_TS5 costs 60.152 real_cost = -30.726 FAMSD_TS4-scwrl costs 56.852 real_cost = -99.417 FAMSD_TS4 costs 56.856 real_cost = -96.678 FAMSD_TS3-scwrl costs 52.011 real_cost = -109.651 FAMSD_TS3 costs 52.037 real_cost = -94.902 FAMSD_TS2-scwrl costs 55.202 real_cost = -107.280 FAMSD_TS2 costs 55.207 real_cost = -99.248 FAMSD_TS1-scwrl costs 45.993 real_cost = -112.065 FAMSD_TS1 costs 45.993 real_cost = -99.471 Distill_TS5-scwrl costs 253.127 real_cost = 382.866 Distill_TS4-scwrl costs 252.359 real_cost = 371.134 Distill_TS3-scwrl costs 250.944 real_cost = 394.343 Distill_TS2-scwrl costs 256.207 real_cost = 393.994 Distill_TS1-scwrl costs 254.024 real_cost = 393.192 CaspIta-FOX_TS5-scwrl costs 63.319 real_cost = 139.142 CaspIta-FOX_TS5 costs 63.319 real_cost = 138.505 CaspIta-FOX_TS4-scwrl costs 75.102 real_cost = 154.479 CaspIta-FOX_TS4 costs 75.082 real_cost = 145.208 CaspIta-FOX_TS3-scwrl costs 51.449 real_cost = -103.628 CaspIta-FOX_TS3 costs 51.475 real_cost = -106.610 CaspIta-FOX_TS2-scwrl costs 54.452 real_cost = -112.782 CaspIta-FOX_TS2 costs 54.456 real_cost = -115.319 CaspIta-FOX_TS1-scwrl costs 124.526 real_cost = 882.066 CPHmodels_TS1-scwrl costs 76.106 real_cost = 104.319 CPHmodels_TS1 costs 76.080 real_cost = 104.751 CIRCLE_TS5-scwrl costs 41.998 real_cost = -116.207 CIRCLE_TS5 costs 41.979 real_cost = -116.967 CIRCLE_TS4-scwrl costs 34.267 real_cost = -197.354 CIRCLE_TS4 costs 34.267 real_cost = -193.970 CIRCLE_TS3-scwrl costs 40.290 real_cost = -165.121 CIRCLE_TS3 costs 40.271 real_cost = -167.901 CIRCLE_TS2-scwrl costs 42.344 real_cost = -188.893 CIRCLE_TS2 costs 42.344 real_cost = -180.381 CIRCLE_TS1-scwrl costs 41.947 real_cost = -168.453 CIRCLE_TS1 costs 41.947 real_cost = -159.932 Bilab-ENABLE_TS3-scwrl costs 59.550 real_cost = -80.624 Bilab-ENABLE_TS3 costs 59.550 real_cost = -80.624 Bilab-ENABLE_TS2-scwrl costs 53.148 real_cost = -106.009 Bilab-ENABLE_TS2 costs 53.148 real_cost = -106.009 Bilab-ENABLE_TS1-scwrl costs 56.237 real_cost = -74.551 Bilab-ENABLE_TS1 costs 56.237 real_cost = -74.551 BayesHH_TS1-scwrl costs 49.033 real_cost = -137.096 BayesHH_TS1 costs 49.033 real_cost = -137.623 ABIpro_TS5-scwrl costs 43.875 real_cost = -10.168 ABIpro_TS5 costs 43.875 real_cost = -10.168 ABIpro_TS4-scwrl costs 35.100 real_cost = 73.181 ABIpro_TS4 costs 35.100 real_cost = 73.181 ABIpro_TS3-scwrl costs 37.009 real_cost = 146.481 ABIpro_TS3 costs 37.009 real_cost = 144.251 ABIpro_TS2-scwrl costs 31.559 real_cost = 166.568 ABIpro_TS2 costs 31.559 real_cost = 169.068 ABIpro_TS1-scwrl costs 34.142 real_cost = 166.783 ABIpro_TS1 costs 34.142 real_cost = 166.783 3Dpro_TS5-scwrl costs 113.073 real_cost = 192.454 3Dpro_TS5 costs 113.073 real_cost = 198.633 3Dpro_TS4-scwrl costs 40.235 real_cost = -124.512 3Dpro_TS4 costs 40.235 real_cost = -127.556 3Dpro_TS3-scwrl costs 59.414 real_cost = -75.335 3Dpro_TS3 costs 59.414 real_cost = -70.228 3Dpro_TS2-scwrl costs 33.228 real_cost = -186.204 3Dpro_TS2 costs 33.228 real_cost = -178.742 3Dpro_TS1-scwrl costs 34.109 real_cost = -163.223 3Dpro_TS1 costs 34.109 real_cost = -164.987 3D-JIGSAW_TS5-scwrl costs 84.045 real_cost = 214.105 3D-JIGSAW_TS5 costs 84.054 real_cost = 225.164 3D-JIGSAW_TS4-scwrl costs 63.196 real_cost = 233.465 3D-JIGSAW_TS4 costs 63.256 real_cost = 241.816 3D-JIGSAW_TS3-scwrl costs 49.899 real_cost = 203.762 3D-JIGSAW_TS3 costs 49.892 real_cost = 204.649 3D-JIGSAW_TS2-scwrl costs 79.931 real_cost = 232.496 3D-JIGSAW_TS2 costs 79.962 real_cost = 242.123 3D-JIGSAW_TS1-scwrl costs 58.305 real_cost = -43.909 3D-JIGSAW_TS1 costs 58.275 real_cost = -42.941 3D-JIGSAW_RECOM_TS5-scwrl costs 61.529 real_cost = 130.147 3D-JIGSAW_RECOM_TS5 costs 61.511 real_cost = 130.299 3D-JIGSAW_RECOM_TS4-scwrl costs 81.558 real_cost = 231.917 3D-JIGSAW_RECOM_TS4 costs 81.562 real_cost = 228.890 3D-JIGSAW_RECOM_TS3-scwrl costs 91.972 real_cost = 248.887 3D-JIGSAW_RECOM_TS3 costs 91.976 real_cost = 253.461 3D-JIGSAW_RECOM_TS2-scwrl costs 57.966 real_cost = 31.506 3D-JIGSAW_RECOM_TS2 costs 57.966 real_cost = 39.488 3D-JIGSAW_RECOM_TS1-scwrl costs 89.076 real_cost = 245.922 3D-JIGSAW_RECOM_TS1 costs 89.080 real_cost = 245.526 3D-JIGSAW_POPULUS_TS5-scwrl costs 42.105 real_cost = 182.126 3D-JIGSAW_POPULUS_TS5 costs 42.105 real_cost = 182.126 3D-JIGSAW_POPULUS_TS4-scwrl costs 64.708 real_cost = 210.891 3D-JIGSAW_POPULUS_TS4 costs 64.708 real_cost = 210.891 3D-JIGSAW_POPULUS_TS3-scwrl costs 38.893 real_cost = 164.176 3D-JIGSAW_POPULUS_TS3 costs 38.893 real_cost = 164.176 3D-JIGSAW_POPULUS_TS2-scwrl costs 31.762 real_cost = 183.948 3D-JIGSAW_POPULUS_TS2 costs 31.762 real_cost = 183.948 3D-JIGSAW_POPULUS_TS1-scwrl costs 45.732 real_cost = 121.241 3D-JIGSAW_POPULUS_TS1 costs 45.722 real_cost = 117.371 tr367.repack-nonPC.pdb.gz costs 34.108 real_cost = -212.830 tr367.pdb.gz costs 34.108 real_cost = -213.973 tr367.gromacs0.repack-nonPC.pdb.gz costs 35.422 real_cost = -210.179 tr367.gromacs0.pdb.gz costs 35.422 real_cost = -211.292 T0367.try9-opt2.repack-nonPC.pdb.gz costs 36.414 real_cost = -170.134 T0367.try9-opt2.pdb.gz costs 36.414 real_cost = -169.073 T0367.try9-opt2.gromacs0.repack-nonPC.pdb.gz costs 34.672 real_cost = -177.991 T0367.try9-opt2.gromacs0.pdb.gz costs 34.672 real_cost = -171.365 T0367.try9-opt1.pdb.gz costs 35.040 real_cost = -160.888 T0367.try9-opt1-scwrl.pdb.gz costs 35.040 real_cost = -163.378 T0367.try8-opt2.repack-nonPC.pdb.gz costs 35.808 real_cost = -157.881 T0367.try8-opt2.pdb.gz costs 35.808 real_cost = -155.200 T0367.try8-opt2.gromacs0.repack-nonPC.pdb.gz costs 31.983 real_cost = -153.418 T0367.try8-opt2.gromacs0.pdb.gz costs 31.983 real_cost = -150.375 T0367.try8-opt1.pdb.gz costs 36.185 real_cost = -155.109 T0367.try8-opt1-scwrl.pdb.gz costs 36.185 real_cost = -156.760 T0367.try7-opt2.repack-nonPC.pdb.gz costs 35.739 real_cost = -170.339 T0367.try7-opt2.pdb.gz costs 35.739 real_cost = -174.266 T0367.try7-opt2.gromacs0.repack-nonPC.pdb.gz costs 33.430 real_cost = -174.348 T0367.try7-opt2.gromacs0.pdb.gz costs 33.430 real_cost = -174.182 T0367.try7-opt1.pdb.gz costs 35.396 real_cost = -170.318 T0367.try7-opt1-scwrl.pdb.gz costs 35.396 real_cost = -170.462 T0367.try6-opt2.repack-nonPC.pdb.gz costs 30.947 real_cost = -194.042 T0367.try6-opt2.pdb.gz costs 30.947 real_cost = -193.658 T0367.try6-opt2.gromacs0.repack-nonPC.pdb.gz costs 24.784 real_cost = -198.542 T0367.try6-opt2.gromacs0.pdb.gz costs 24.784 real_cost = -197.454 T0367.try6-opt1.pdb.gz costs 28.530 real_cost = -194.882 T0367.try6-opt1-scwrl.pdb.gz costs 28.530 real_cost = -197.055 T0367.try5-opt2.repack-nonPC.pdb.gz costs 37.494 real_cost = -86.420 T0367.try5-opt2.pdb.gz costs 37.494 real_cost = -77.387 T0367.try5-opt2.gromacs0.repack-nonPC.pdb.gz costs 24.101 real_cost = -83.339 T0367.try5-opt2.gromacs0.pdb.gz costs 24.101 real_cost = -78.222 T0367.try5-opt1.pdb.gz costs 31.824 real_cost = -83.914 T0367.try5-opt1-scwrl.pdb.gz costs 31.824 real_cost = -85.991 T0367.try4-opt2.repack-nonPC.pdb.gz costs 46.105 real_cost = -134.086 T0367.try4-opt2.pdb.gz costs 46.105 real_cost = -134.488 T0367.try4-opt2.gromacs0.repack-nonPC.pdb.gz costs 38.405 real_cost = -132.557 T0367.try4-opt2.gromacs0.pdb.gz costs 38.405 real_cost = -133.682 T0367.try4-opt1.pdb.gz costs 39.877 real_cost = -134.278 T0367.try4-opt1-scwrl.pdb.gz costs 39.877 real_cost = -132.993 T0367.try3-opt2.repack-nonPC.pdb.gz costs 42.765 real_cost = -136.747 T0367.try3-opt2.pdb.gz costs 42.765 real_cost = -133.606 T0367.try3-opt2.gromacs0.repack-nonPC.pdb.gz costs 38.244 real_cost = -135.033 T0367.try3-opt2.gromacs0.pdb.gz costs 38.244 real_cost = -132.092 T0367.try3-opt1.pdb.gz costs 39.877 real_cost = -132.555 T0367.try3-opt1-scwrl.pdb.gz costs 39.877 real_cost = -133.074 T0367.try2-opt2.repack-nonPC.pdb.gz costs 40.497 real_cost = -137.235 T0367.try2-opt2.pdb.gz costs 40.497 real_cost = -132.394 T0367.try2-opt2.gromacs0.repack-nonPC.pdb.gz costs 37.744 real_cost = -131.873 T0367.try2-opt2.gromacs0.pdb.gz costs 37.744 real_cost = -130.719 T0367.try2-opt1.pdb.gz costs 42.765 real_cost = -133.700 T0367.try2-opt1-scwrl.pdb.gz costs 42.765 real_cost = -134.113 T0367.try14-opt2.repack-nonPC.pdb.gz costs 39.217 real_cost = -167.638 T0367.try14-opt2.pdb.gz costs 39.217 real_cost = -162.796 T0367.try14-opt2.gromacs0.repack-nonPC.pdb.gz costs 35.184 real_cost = -161.878 T0367.try14-opt2.gromacs0.pdb.gz costs 35.184 real_cost = -161.520 T0367.try14-opt1.pdb.gz costs 39.644 real_cost = -163.038 T0367.try14-opt1-scwrl.pdb.gz costs 39.644 real_cost = -166.794 T0367.try13-opt2.repack-nonPC.pdb.gz costs 35.866 real_cost = -154.177 T0367.try13-opt2.pdb.gz costs 35.866 real_cost = -152.972 T0367.try13-opt2.gromacs0.repack-nonPC.pdb.gz costs 33.561 real_cost = -157.597 T0367.try13-opt2.gromacs0.pdb.gz costs 33.561 real_cost = -155.310 T0367.try13-opt1.pdb.gz costs 35.468 real_cost = -154.121 T0367.try13-opt1-scwrl.pdb.gz costs 35.468 real_cost = -156.132 T0367.try12-opt2.repack-nonPC.pdb.gz costs 27.494 real_cost = -195.209 T0367.try12-opt2.pdb.gz costs 27.494 real_cost = -195.251 T0367.try12-opt2.gromacs0.repack-nonPC.pdb.gz costs 25.085 real_cost = -198.925 T0367.try12-opt2.gromacs0.pdb.gz costs 25.085 real_cost = -198.970 T0367.try12-opt1.pdb.gz costs 27.352 real_cost = -195.273 T0367.try12-opt1-scwrl.pdb.gz costs 27.352 real_cost = -197.102 T0367.try11-opt2.pdb.gz costs 43.385 real_cost = -133.301 T0367.try11-opt2.gromacs0.pdb.gz costs 39.127 real_cost = -132.100 T0367.try11-opt1.pdb.gz costs 41.962 real_cost = -132.905 T0367.try11-opt1-scwrl.pdb.gz costs 41.962 real_cost = -133.725 T0367.try10-opt2.repack-nonPC.pdb.gz costs 45.980 real_cost = -75.762 T0367.try10-opt2.pdb.gz costs 45.980 real_cost = -72.445 T0367.try10-opt2.gromacs0.repack-nonPC.pdb.gz costs 40.219 real_cost = -73.838 T0367.try10-opt2.gromacs0.pdb.gz costs 40.219 real_cost = -68.666 T0367.try10-opt1.pdb.gz costs 42.916 real_cost = -76.558 T0367.try10-opt1-scwrl.pdb.gz costs 42.916 real_cost = -77.253 T0367.try1-opt2.repack-nonPC.pdb.gz costs 43.951 real_cost = -138.120 T0367.try1-opt2.pdb.gz costs 43.951 real_cost = -134.608 T0367.try1-opt2.gromacs0.repack-nonPC.pdb.gz costs 37.315 real_cost = -134.444 T0367.try1-opt2.gromacs0.pdb.gz costs 37.315 real_cost = -133.280 T0367.try1-opt1.pdb.gz costs 40.870 real_cost = -139.189 T0367.try1-opt1-scwrl.pdb.gz costs 40.870 real_cost = -139.322 ../model5.ts-submitted costs 43.385 real_cost = -132.328 ../model4.ts-submitted costs 24.784 real_cost = -198.558 ../model3.ts-submitted costs 46.105 real_cost = -134.251 ../model2.ts-submitted costs 35.866 real_cost = -153.250 ../model1.ts-submitted costs 27.494 real_cost = -195.235 align5 costs 95.025 real_cost = 286.230 align4 costs 84.211 real_cost = 205.444 align3 costs 51.984 real_cost = 11.206 align2 costs 52.740 real_cost = -116.672 align1 costs 64.881 real_cost = -116.971 T0367.try1-opt2.pdb costs 43.951 real_cost = -134.608 model5-scwrl costs 43.385 real_cost = -133.873 model5.ts-submitted costs 43.385 real_cost = -132.328 model4-scwrl costs 24.784 real_cost = -200.411 model4.ts-submitted costs 24.784 real_cost = -198.558 model3-scwrl costs 46.105 real_cost = -133.232 model3.ts-submitted costs 46.105 real_cost = -134.251 model2-scwrl costs 35.866 real_cost = -158.645 model2.ts-submitted costs 35.866 real_cost = -153.250 model1-scwrl costs 27.494 real_cost = -195.721 model1.ts-submitted costs 27.494 real_cost = -195.243 2hsbA costs 22.522 real_cost = -894.600 # command:CPU_time= 607.228 sec, elapsed time= 2441.591 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/T0367'