make[1]: Entering directory `/projects/compbio/experiments/protein-predict/casp7/T0332' /projects/compbio/experiments/protein-predict/casp7/starter-directory/Make.main:725: SECONDARY_TARGET = T0332.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/T0332.} ;\ 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/T0332/ -e s/START_COL/1/ \ -e s/COSTFCN/anglevector/ \ -e s/_domain// \ -e s/read-pdb/read-pdb+servers/ \ -e s/REAL_PDB/2ha8A/ \ < /projects/compbio/experiments/protein-predict/casp7/starter-directory/evaluate.under \ | nice -2 /cse/grads/jarchie/projects/cvs/karplus/undertaker/undertaker # command:# Seed set to 1183102424 # command:# Prefix for input files set to /projects/compbio/experiments/undertaker/atoms-inputs/ # command:# reading monomeric-50pc.atoms # #computed average backbone with maximum peptide_sq_deviance = 0.002 # computed average trans backbone unit from 8101 examples # computed average cis backbone unit from 20 examples # computed average trans backbone unit before proline from 332 examples # trans (non-proline) backbone unit: # CA= -2.2101 1.0129 -0.0033 # O= -0.1508 2.2440 0.0016 # C= -0.6897 1.1364 -0.0000 # N+1= 0.0000 0.0000 0.0000 # CA+1= 1.4583 -0.0000 -0.0000 # cis backbone unit: # CA= -0.1438 2.4522 0.0007 # O= -2.0283 0.9702 0.0005 # C= -0.8017 1.0759 0.0000 # N+1= 0.0000 0.0000 0.0000 # CA+1= 1.4664 -0.0000 0.0000 # trans backbone unit before proline: # CA= -2.2110 1.0636 -0.0014 # O= -0.1234 2.2469 0.0075 # C= -0.6877 1.1518 0.0000 # N+1= 0.0000 0.0000 0.0000 # CA+1= 1.4665 0.0000 0.0000 # After reading monomeric-50pc.atoms have 448 chains in training database # Count of chains,residues,atoms: 448,112605,876684 # 111048 residues have no bad marker # 665 residues lack atoms needed to compute omega # 322 residues have cis peptide # number of each bad type: # NON_STANDARD_RESIDUE 6 # HAS_OXT 325 # TOO_MANY_ATOMS 1 # TOO_FEW_ATOMS 523 # HAS_UNKNOWN_ATOMS 2 # HAS_DUPLICATE_ATOMS 0 # CHAIN_BREAK_BEFORE 208 # NON_PLANAR_PEPTIDE 143 # BAD_PEPTIDE 685 # Note: may sum to more than number of residues, # because one residue may have multiple problems # command:# Reading rotamer library from dunbrack-1332.rot # command:# Prefix for input files set to /projects/compbio/experiments/undertaker/spots/ # command:# ReadAtomType exp-pdb.types Read AtomType exp-pdb with 49 types. # command:# ReadClashTable exp-pdb-2191-2symm.clash # Read ClashTable exp-pdb-2191-2symm checking bonds symmetric at MaxSep 2 # command:# command:CPU_time= 5.595 sec, elapsed time= 5.696 sec. # command:# Reading spots from monomeric-50pc-dry-5.spot Read prototypes from /projects/compbio/experiments/undertaker/spots/../normalize_prototypes/prototypes # reading histogram from smoothed-monomeric-50pc-dry-5.hist # created burial cost function dry5 with radius 5.000 with spots at monomeric-50pc-dry-5.spot # command:# Reading spots from monomeric-50pc-wet-6.5.spot Read prototypes from /projects/compbio/experiments/undertaker/spots/../normalize_prototypes/prototypes # reading histogram from smoothed-monomeric-50pc-wet-6.5.hist # created burial cost function wet6.5 with radius 6.500 with spots at monomeric-50pc-wet-6.5.spot # command:# Reading spots from monomeric-50pc-dry-6.5.spot Read prototypes from /projects/compbio/experiments/undertaker/spots/../normalize_prototypes/prototypes # reading histogram from smoothed-monomeric-50pc-dry-6.5.hist # created burial cost function dry6.5 with radius 6.500 with spots at monomeric-50pc-dry-6.5.spot # command:# Reading spots from monomeric-50pc-generic-6.5.spot Read prototypes from /projects/compbio/experiments/undertaker/spots/../normalize_prototypes/prototypes # reading histogram from smoothed-monomeric-50pc-generic-6.5.hist # created burial cost function gen6.5 with radius 6.500 with spots at monomeric-50pc-generic-6.5.spot # command:# Reading spots from near-backbone-center.spot # reading histogram from smoothed-near-backbone-2spot.hist # Reading spots from near-backbone-count.spot # created burial cost function near_backbone with radius 9.650 with spots at near-backbone-center.spot counting only near-backbone-count.spot # command:# Reading spots from way-back-center.spot # reading histogram from smoothed-way-back-2spot.hist # Reading spots from way-back-count.spot # created burial cost function way_back with radius 8.900 with spots at way-back-center.spot counting only way-back-count.spot # command:# Reading spots from monomeric-50pc-dry-8.spot Read prototypes from /projects/compbio/experiments/undertaker/spots/../normalize_prototypes/prototypes # reading histogram from smoothed-monomeric-50pc-dry-8.hist # created burial cost function dry8 with radius 8.000 with spots at monomeric-50pc-dry-8.spot # command:# Reading spots from monomeric-50pc-dry-10.spot Read prototypes from /projects/compbio/experiments/undertaker/spots/../normalize_prototypes/prototypes # reading histogram from smoothed-monomeric-50pc-dry-10.hist # created burial cost function dry10 with radius 10.000 with spots at monomeric-50pc-dry-10.spot # command:# Reading spots from monomeric-50pc-dry-12.spot Read prototypes from /projects/compbio/experiments/undertaker/spots/../normalize_prototypes/prototypes # reading histogram from smoothed-monomeric-50pc-dry-12.hist # created burial cost function dry12 with radius 12.000 with spots at monomeric-50pc-dry-12.spot # command:# reading histogram from dunbrack-2191-alpha.hist # created alpha cost function alpha with offset 0 and 360 bins # command:# reading histogram from dunbrack-2191-alpha-1.hist # created alpha cost function alpha_prev with offset -1 and 360 bins # command:# Prefix for input files set to /projects/compbio/lib/alphabet/ # command:# Read 3 alphabets from alpha.alphabet # command:CPU_time= 5.663 sec, elapsed time= 5.790 sec. # command:# Prefix for input files set to # command:# Making conformation for sequence T0332 numbered 1 through 159 Created new target T0332 from T0332.a2m # command:# command:# No conformations to remove in PopConform # command:# cleared Id set # command:# command:2ha8A expands to /projects/compbio/data/pdb/2ha8.pdb.gz 2ha8A:Skipped atom 37, because occupancy 0.5 <= existing 0.500 in 2ha8A Skipped atom 39, because occupancy 0.500 <= existing 0.500 in 2ha8A Skipped atom 41, because occupancy 0.500 <= existing 0.500 in 2ha8A Skipped atom 43, because occupancy 0.500 <= existing 0.500 in 2ha8A Skipped atom 45, because occupancy 0.500 <= existing 0.500 in 2ha8A Skipped atom 47, because occupancy 0.500 <= existing 0.500 in 2ha8A Skipped atom 769, because occupancy 0.500 <= existing 0.500 in 2ha8A Skipped atom 771, because occupancy 0.500 <= existing 0.500 in 2ha8A Skipped atom 773, because occupancy 0.500 <= existing 0.500 in 2ha8A Skipped atom 775, because occupancy 0.500 <= existing 0.500 in 2ha8A Skipped atom 777, because occupancy 0.500 <= existing 0.500 in 2ha8A Skipped atom 779, because occupancy 0.500 <= existing 0.500 in 2ha8A Skipped atom 985, because occupancy 0.500 <= existing 0.500 in 2ha8A Skipped atom 987, because occupancy 0.500 <= existing 0.500 in 2ha8A Skipped atom 989, because occupancy 0.500 <= existing 0.500 in 2ha8A Skipped atom 991, because occupancy 0.500 <= existing 0.500 in 2ha8A Skipped atom 993, because occupancy 0.500 <= existing 0.500 in 2ha8A Skipped atom 995, because occupancy 0.500 <= existing 0.500 in 2ha8A Read 159 residues and 1235 atoms. # command:# Saving current conformation as real # command:# Prefix for output files set to decoys/ # command:# SetRealCost created real_cost = # ( 50.000 * real_hbond + 50.000 * real_hbond_u + 50.000 * decoy_hbond + 50.000 * decoy_hbond_u + 10.000 * real_NO_hbond + 10.000 * real_NO_hbond_u + 10.000 * decoy_NO_hbond + 10.000 * decoy_NO_hbond_u + 10.000 * knot + 200.000 * clens + 0.000 * rmsd + 35.000 * log_rmsd + 0.000 * rmsd_ca + 30.000 * log_rmsd_ca + 1.000 * GDT + 1.000 * smooth_GDT + 0.200 * missing_atoms ) # command:# SetCost created cost = # ) # command:# reading script from file anglevector.costfcn # Prefix for input files set to /projects/compbio/lib/alphabet/ # Read 2 alphabets from anglevector.alphabet # Prefix for input files set to # CreateCombinedNNet created CombinedNNet bys_t2k # CreateCombinedNNet created CombinedNNet bys_t04 # CreateCombinedNNet created CombinedNNet bys_t06 # CreateCombinedNNet created CombinedNNet bys_mean # created predicted AngleVectorPredCostFcn pred_bys_t2k # created predicted AngleVectorPredCostFcn pred_bys_t04 # created predicted AngleVectorPredCostFcn pred_bys_t06 # created predicted AngleVectorPredCostFcn pred_bys_mean # CreateCombinedNNet created CombinedNNet pb_t2k # CreateCombinedNNet created CombinedNNet pb_t04 # CreateCombinedNNet created CombinedNNet pb_t06 # CreateCombinedNNet created CombinedNNet pb_mean # created predicted AngleVectorPredCostFcn pred_pb_t2k # created predicted AngleVectorPredCostFcn pred_pb_t04 # created predicted AngleVectorPredCostFcn pred_pb_t06 # created predicted AngleVectorPredCostFcn pred_pb_mean # SetCost created cost = # ( 5.000 * bystroff + 5.000 * pred_bys_t2k + 5.000 * pred_bys_t04 + 5.000 * pred_bys_t06 + 5.000 * pred_bys_mean + 5.000 * pred_pb_t2k + 5.000 * pred_pb_t04 + 5.000 * pred_pb_t06 + 5.000 * pred_pb_mean ) # command:CPU_time= 8.141 sec, elapsed time= 8.362 sec. # command:# Prefix for input files set to # command:# ReadConformPDB reading from PDB file model1.ts-submitted looking for model 1 # choosing archetypes in rotamer library # Found a chain break before 60 # copying to AlignedFragments data structure # command:# fraction of real conformation used = 1.000 # GDT_score = -77.987 # GDT_score(maxd=8.000,maxw=2.900)= -82.665 # GDT_score(maxd=8.000,maxw=3.200)= -79.063 # GDT_score(maxd=8.000,maxw=3.500)= -75.276 # GDT_score(maxd=10.000,maxw=3.800)= -77.537 # GDT_score(maxd=10.000,maxw=4.000)= -75.048 # GDT_score(maxd=10.000,maxw=4.200)= -72.596 # GDT_score(maxd=12.000,maxw=4.300)= -76.147 # GDT_score(maxd=12.000,maxw=4.500)= -73.774 # GDT_score(maxd=12.000,maxw=4.700)= -71.422 # GDT_score(maxd=14.000,maxw=5.200)= -69.612 # GDT_score(maxd=14.000,maxw=5.500)= -66.429 # command:# Prefix for output files set to # command:Warning: Couldn't open file T0332.model1-real.pdb for output Error: Couldn't open file T0332.model1-real.pdb for output superimposing iter= 0 total_weight= 1871.000 rmsd (weighted)= 3.200 (unweighted)= 3.417 superimposing iter= 1 total_weight= 6256.160 rmsd (weighted)= 1.262 (unweighted)= 3.448 superimposing iter= 2 total_weight= 2227.246 rmsd (weighted)= 0.922 (unweighted)= 3.471 superimposing iter= 3 total_weight= 1453.195 rmsd (weighted)= 0.843 (unweighted)= 3.486 superimposing iter= 4 total_weight= 1291.823 rmsd (weighted)= 0.819 (unweighted)= 3.497 superimposing iter= 5 total_weight= 1261.900 rmsd (weighted)= 0.806 (unweighted)= 3.505 EXPDTA model1.ts-submitted MODEL 1 REMARK 44 REMARK 44 model 1 is called model1.ts-submitted ATOM 1 N LEU A 1 13.028 31.542 37.762 1.00 0.00 ATOM 2 CA LEU A 1 14.203 32.072 38.444 1.00 0.00 ATOM 3 CB LEU A 1 15.098 30.904 38.830 1.00 0.00 ATOM 4 CG LEU A 1 14.513 29.924 39.853 1.00 0.00 ATOM 5 CD1 LEU A 1 15.416 28.702 39.995 1.00 0.00 ATOM 6 CD2 LEU A 1 14.268 30.605 41.200 1.00 0.00 ATOM 7 O LEU A 1 15.441 34.062 38.051 1.00 0.00 ATOM 8 C LEU A 1 14.974 33.048 37.545 1.00 0.00 ATOM 9 N GLY A 2 14.926 32.849 36.221 1.00 0.00 ATOM 10 CA GLY A 2 15.612 33.716 35.246 1.00 0.00 ATOM 11 O GLY A 2 15.935 36.128 35.198 1.00 0.00 ATOM 12 C GLY A 2 15.167 35.188 35.224 1.00 0.00 ATOM 13 N LYS A 3 13.894 35.373 35.461 1.00 0.00 ATOM 14 CA LYS A 3 13.143 36.636 35.276 1.00 0.00 ATOM 15 CB LYS A 3 11.636 36.368 35.275 1.00 0.00 ATOM 16 CG LYS A 3 11.072 35.949 36.626 1.00 0.00 ATOM 17 CD LYS A 3 9.575 35.689 36.543 1.00 0.00 ATOM 18 CE LYS A 3 9.003 35.310 37.902 1.00 0.00 ATOM 19 NZ LYS A 3 7.540 35.043 37.834 1.00 0.00 ATOM 20 O LYS A 3 13.207 38.914 36.094 1.00 0.00 ATOM 21 C LYS A 3 13.434 37.729 36.329 1.00 0.00 ATOM 22 N SER A 4 13.928 37.303 37.485 1.00 0.00 ATOM 23 CA SER A 4 14.158 38.209 38.626 1.00 0.00 ATOM 24 CB SER A 4 12.972 38.173 39.569 1.00 0.00 ATOM 25 OG SER A 4 13.083 39.123 40.593 1.00 0.00 ATOM 26 O SER A 4 15.446 37.325 40.496 1.00 0.00 ATOM 27 C SER A 4 15.441 37.847 39.372 1.00 0.00 ATOM 28 N ILE A 5 16.542 38.041 38.680 1.00 0.00 ATOM 29 CA ILE A 5 17.845 37.656 39.233 1.00 0.00 ATOM 30 CB ILE A 5 18.739 36.997 38.166 1.00 0.00 ATOM 31 CG1 ILE A 5 18.002 35.836 37.495 1.00 0.00 ATOM 32 CG2 ILE A 5 20.042 36.517 38.787 1.00 0.00 ATOM 33 CD1 ILE A 5 18.824 35.109 36.456 1.00 0.00 ATOM 34 O ILE A 5 19.383 39.511 39.175 1.00 0.00 ATOM 35 C ILE A 5 18.513 38.910 39.801 1.00 0.00 ATOM 36 N SER A 6 18.226 39.128 41.077 1.00 0.00 ATOM 37 CA SER A 6 18.893 40.239 41.783 1.00 0.00 ATOM 38 CB SER A 6 18.306 40.403 43.171 1.00 0.00 ATOM 39 OG SER A 6 18.580 39.301 43.992 1.00 0.00 ATOM 40 O SER A 6 21.198 40.934 42.047 1.00 0.00 ATOM 41 C SER A 6 20.418 40.007 41.866 1.00 0.00 ATOM 42 N ARG A 7 20.815 38.748 41.723 1.00 0.00 ATOM 43 CA ARG A 7 22.221 38.300 41.767 1.00 0.00 ATOM 44 CB ARG A 7 22.254 36.832 42.150 1.00 0.00 ATOM 45 CG ARG A 7 21.711 36.639 43.559 1.00 0.00 ATOM 46 CD ARG A 7 21.807 35.151 43.778 1.00 0.00 ATOM 47 NE ARG A 7 21.286 34.846 45.105 1.00 0.00 ATOM 48 CZ ARG A 7 21.009 33.611 45.501 1.00 0.00 ATOM 49 NH1 ARG A 7 20.520 33.422 46.699 1.00 0.00 ATOM 50 NH2 ARG A 7 21.189 32.544 44.743 1.00 0.00 ATOM 51 O ARG A 7 24.244 38.199 40.484 1.00 0.00 ATOM 52 C ARG A 7 23.031 38.452 40.473 1.00 0.00 ATOM 53 N LEU A 8 22.321 38.663 39.367 1.00 0.00 ATOM 54 CA LEU A 8 22.926 38.805 38.036 1.00 0.00 ATOM 55 CB LEU A 8 22.147 38.029 36.980 1.00 0.00 ATOM 56 CG LEU A 8 22.700 38.271 35.584 1.00 0.00 ATOM 57 CD1 LEU A 8 24.032 37.543 35.358 1.00 0.00 ATOM 58 CD2 LEU A 8 21.577 38.000 34.596 1.00 0.00 ATOM 59 O LEU A 8 21.972 40.887 37.265 1.00 0.00 ATOM 60 C LEU A 8 22.964 40.274 37.639 1.00 0.00 ATOM 61 N ILE A 9 24.179 40.805 37.730 1.00 0.00 ATOM 62 CA ILE A 9 24.385 42.227 37.403 1.00 0.00 ATOM 63 CB ILE A 9 25.167 42.955 38.513 1.00 0.00 ATOM 64 CG1 ILE A 9 24.471 42.772 39.864 1.00 0.00 ATOM 65 CG2 ILE A 9 25.310 44.432 38.180 1.00 0.00 ATOM 66 CD1 ILE A 9 25.288 43.252 41.041 1.00 0.00 ATOM 67 O ILE A 9 25.893 41.460 35.680 1.00 0.00 ATOM 68 C ILE A 9 25.134 42.338 36.070 1.00 0.00 ATOM 69 N VAL A 10 24.821 43.433 35.387 1.00 0.00 ATOM 70 CA VAL A 10 25.469 43.757 34.114 1.00 0.00 ATOM 71 CB VAL A 10 24.437 43.643 32.974 1.00 0.00 ATOM 72 CG1 VAL A 10 25.108 43.939 31.644 1.00 0.00 ATOM 73 CG2 VAL A 10 23.838 42.248 32.839 1.00 0.00 ATOM 74 O VAL A 10 25.455 46.137 34.575 1.00 0.00 ATOM 75 C VAL A 10 26.094 45.164 34.186 1.00 0.00 ATOM 76 N VAL A 11 27.346 45.216 33.748 1.00 0.00 ATOM 77 CA VAL A 11 28.115 46.473 33.627 1.00 0.00 ATOM 78 CB VAL A 11 29.433 46.480 34.418 1.00 0.00 ATOM 79 CG1 VAL A 11 30.022 47.887 34.437 1.00 0.00 ATOM 80 CG2 VAL A 11 29.336 45.964 35.831 1.00 0.00 ATOM 81 O VAL A 11 29.328 45.963 31.617 1.00 0.00 ATOM 82 C VAL A 11 28.493 46.675 32.161 1.00 0.00 ATOM 83 N ALA A 12 28.004 47.781 31.614 1.00 0.00 ATOM 84 CA ALA A 12 28.347 48.172 30.240 1.00 0.00 ATOM 85 CB ALA A 12 27.106 48.601 29.463 1.00 0.00 ATOM 86 O ALA A 12 29.366 50.324 30.769 1.00 0.00 ATOM 87 C ALA A 12 29.460 49.229 30.222 1.00 0.00 ATOM 88 N SER A 13 30.607 48.729 29.786 1.00 0.00 ATOM 89 CA SER A 13 31.872 49.487 29.755 1.00 0.00 ATOM 90 CB SER A 13 33.043 48.559 30.015 1.00 0.00 ATOM 91 OG SER A 13 34.268 49.237 29.989 1.00 0.00 ATOM 92 O SER A 13 32.528 49.658 27.427 1.00 0.00 ATOM 93 C SER A 13 32.067 50.218 28.418 1.00 0.00 ATOM 94 N LEU A 14 31.661 51.469 28.421 1.00 0.00 ATOM 95 CA LEU A 14 31.872 52.403 27.298 1.00 0.00 ATOM 96 CB LEU A 14 33.372 52.620 27.063 1.00 0.00 ATOM 97 CG LEU A 14 33.728 53.840 26.205 1.00 0.00 ATOM 98 CD1 LEU A 14 34.942 54.553 26.789 1.00 0.00 ATOM 99 CD2 LEU A 14 34.001 53.394 24.776 1.00 0.00 ATOM 100 O LEU A 14 31.847 51.944 24.919 1.00 0.00 ATOM 101 C LEU A 14 31.219 51.942 25.983 1.00 0.00 ATOM 102 N ILE A 15 29.998 51.450 26.065 1.00 0.00 ATOM 103 CA ILE A 15 29.271 51.058 24.846 1.00 0.00 ATOM 104 CB ILE A 15 27.893 50.457 25.178 1.00 0.00 ATOM 105 CG1 ILE A 15 27.351 49.671 23.981 1.00 0.00 ATOM 106 CG2 ILE A 15 26.920 51.552 25.585 1.00 0.00 ATOM 107 CD1 ILE A 15 26.197 48.757 24.324 1.00 0.00 ATOM 108 O ILE A 15 28.884 53.406 24.454 1.00 0.00 ATOM 109 C ILE A 15 29.127 52.310 23.961 1.00 0.00 ATOM 110 N ASP A 16 29.412 52.111 22.678 1.00 0.00 ATOM 111 CA ASP A 16 29.491 53.211 21.698 1.00 0.00 ATOM 112 CB ASP A 16 30.097 52.716 20.372 1.00 0.00 ATOM 113 CG ASP A 16 30.323 53.850 19.360 1.00 0.00 ATOM 114 OD1 ASP A 16 29.866 54.984 19.589 1.00 0.00 ATOM 115 OD2 ASP A 16 30.811 53.541 18.259 1.00 0.00 ATOM 116 O ASP A 16 27.762 54.861 22.168 1.00 0.00 ATOM 117 C ASP A 16 28.133 53.904 21.495 1.00 0.00 ATOM 118 N LYS A 17 27.328 53.250 20.672 1.00 0.00 ATOM 119 CA LYS A 17 26.067 53.833 20.216 1.00 0.00 ATOM 120 CB LYS A 17 25.781 53.427 18.770 1.00 0.00 ATOM 121 CG LYS A 17 26.863 53.829 17.777 1.00 0.00 ATOM 122 CD LYS A 17 26.996 55.341 17.687 1.00 0.00 ATOM 123 CE LYS A 17 27.970 55.747 16.590 1.00 0.00 ATOM 124 NZ LYS A 17 28.166 57.222 16.537 1.00 0.00 ATOM 125 O LYS A 17 24.709 52.274 21.446 1.00 0.00 ATOM 126 C LYS A 17 24.864 53.448 21.086 1.00 0.00 ATOM 127 N PRO A 18 23.884 54.347 21.137 1.00 0.00 ATOM 128 CA PRO A 18 22.618 54.189 21.881 1.00 0.00 ATOM 129 CB PRO A 18 21.871 55.496 21.673 1.00 0.00 ATOM 130 CG PRO A 18 22.986 56.480 21.351 1.00 0.00 ATOM 131 CD PRO A 18 23.902 55.660 20.479 1.00 0.00 ATOM 132 O PRO A 18 21.025 52.444 22.147 1.00 0.00 ATOM 133 C PRO A 18 21.751 53.043 21.370 1.00 0.00 ATOM 134 N THR A 19 21.842 52.708 20.081 1.00 0.00 ATOM 135 CA THR A 19 21.088 51.554 19.516 1.00 0.00 ATOM 136 CB THR A 19 21.306 51.425 17.997 1.00 0.00 ATOM 137 CG2 THR A 19 20.572 50.210 17.453 1.00 0.00 ATOM 138 OG1 THR A 19 20.823 52.605 17.340 1.00 0.00 ATOM 139 O THR A 19 20.669 49.519 20.734 1.00 0.00 ATOM 140 C THR A 19 21.518 50.241 20.215 1.00 0.00 ATOM 141 N ASN A 20 22.833 50.069 20.372 1.00 0.00 ATOM 142 CA ASN A 20 23.435 48.903 21.053 1.00 0.00 ATOM 143 CB ASN A 20 24.934 48.839 20.824 1.00 0.00 ATOM 144 CG ASN A 20 25.316 48.424 19.430 1.00 0.00 ATOM 145 ND2 ASN A 20 26.551 48.681 19.084 1.00 0.00 ATOM 146 OD1 ASN A 20 24.524 47.813 18.704 1.00 0.00 ATOM 147 O ASN A 20 22.718 47.918 23.102 1.00 0.00 ATOM 148 C ASN A 20 23.124 48.929 22.546 1.00 0.00 ATOM 149 N LEU A 21 23.180 50.131 23.117 1.00 0.00 ATOM 150 CA LEU A 21 22.832 50.341 24.537 1.00 0.00 ATOM 151 CB LEU A 21 23.120 51.790 24.945 1.00 0.00 ATOM 152 CG LEU A 21 22.600 52.194 26.332 1.00 0.00 ATOM 153 CD1 LEU A 21 23.393 51.474 27.415 1.00 0.00 ATOM 154 CD2 LEU A 21 22.710 53.703 26.495 1.00 0.00 ATOM 155 O LEU A 21 21.087 49.259 25.769 1.00 0.00 ATOM 156 C LEU A 21 21.367 50.000 24.841 1.00 0.00 ATOM 157 N GLY A 22 20.470 50.470 23.972 1.00 0.00 ATOM 158 CA GLY A 22 19.008 50.236 24.090 1.00 0.00 ATOM 159 O GLY A 22 17.945 48.172 24.772 1.00 0.00 ATOM 160 C GLY A 22 18.680 48.742 23.969 1.00 0.00 ATOM 161 N GLY A 23 19.338 48.120 22.995 1.00 0.00 ATOM 162 CA GLY A 23 19.259 46.669 22.756 1.00 0.00 ATOM 163 O GLY A 23 19.023 44.927 24.399 1.00 0.00 ATOM 164 C GLY A 23 19.715 45.848 23.975 1.00 0.00 ATOM 165 N LEU A 24 20.795 46.310 24.604 1.00 0.00 ATOM 166 CA LEU A 24 21.349 45.686 25.816 1.00 0.00 ATOM 167 CB LEU A 24 22.693 46.329 26.176 1.00 0.00 ATOM 168 CG LEU A 24 23.399 45.724 27.397 1.00 0.00 ATOM 169 CD1 LEU A 24 23.701 44.251 27.150 1.00 0.00 ATOM 170 CD2 LEU A 24 24.678 46.498 27.680 1.00 0.00 ATOM 171 O LEU A 24 20.168 44.801 27.720 1.00 0.00 ATOM 172 C LEU A 24 20.389 45.782 27.006 1.00 0.00 ATOM 173 N CYS A 25 19.702 46.919 27.083 1.00 0.00 ATOM 174 CA CYS A 25 18.665 47.165 28.109 1.00 0.00 ATOM 175 CB CYS A 25 18.213 48.621 28.071 1.00 0.00 ATOM 176 SG CYS A 25 19.638 49.684 28.511 1.00 0.00 ATOM 177 O CYS A 25 17.038 45.576 28.890 1.00 0.00 ATOM 178 C CYS A 25 17.459 46.237 27.939 1.00 0.00 ATOM 179 N ARG A 26 17.086 46.030 26.674 1.00 0.00 ATOM 180 CA ARG A 26 16.016 45.068 26.345 1.00 0.00 ATOM 181 CB ARG A 26 15.603 45.147 24.882 1.00 0.00 ATOM 182 CG ARG A 26 14.363 44.344 24.524 1.00 0.00 ATOM 183 CD ARG A 26 13.912 44.508 23.119 1.00 0.00 ATOM 184 NE ARG A 26 12.740 43.723 22.765 1.00 0.00 ATOM 185 CZ ARG A 26 12.187 43.685 21.537 1.00 0.00 ATOM 186 NH1 ARG A 26 12.669 44.413 20.554 1.00 0.00 ATOM 187 NH2 ARG A 26 11.130 42.914 21.353 1.00 0.00 ATOM 188 O ARG A 26 15.672 42.946 27.415 1.00 0.00 ATOM 189 C ARG A 26 16.427 43.640 26.749 1.00 0.00 ATOM 190 N THR A 27 17.679 43.290 26.472 1.00 0.00 ATOM 191 CA THR A 27 18.259 41.964 26.759 1.00 0.00 ATOM 192 CB THR A 27 19.680 41.831 26.181 1.00 0.00 ATOM 193 CG2 THR A 27 20.276 40.478 26.536 1.00 0.00 ATOM 194 OG1 THR A 27 19.633 41.969 24.755 1.00 0.00 ATOM 195 O THR A 27 17.919 40.611 28.723 1.00 0.00 ATOM 196 C THR A 27 18.307 41.690 28.277 1.00 0.00 ATOM 197 N CYS A 28 18.714 42.694 29.049 1.00 0.00 ATOM 198 CA CYS A 28 18.774 42.615 30.514 1.00 0.00 ATOM 199 CB CYS A 28 19.405 43.887 31.082 1.00 0.00 ATOM 200 SG CYS A 28 21.155 43.986 30.566 1.00 0.00 ATOM 201 O CYS A 28 17.267 41.355 31.878 1.00 0.00 ATOM 202 C CYS A 28 17.409 42.339 31.157 1.00 0.00 ATOM 203 N GLU A 29 16.407 43.045 30.631 1.00 0.00 ATOM 204 CA GLU A 29 15.002 42.866 31.044 1.00 0.00 ATOM 205 CB GLU A 29 14.107 43.909 30.369 1.00 0.00 ATOM 206 CG GLU A 29 12.617 43.699 30.594 1.00 0.00 ATOM 207 CD GLU A 29 12.283 43.691 32.060 1.00 0.00 ATOM 208 OE1 GLU A 29 13.129 44.039 32.846 1.00 0.00 ATOM 209 OE2 GLU A 29 11.144 43.446 32.387 1.00 0.00 ATOM 210 O GLU A 29 13.830 40.788 31.528 1.00 0.00 ATOM 211 C GLU A 29 14.479 41.457 30.727 1.00 0.00 ATOM 212 N VAL A 30 14.895 40.972 29.567 1.00 0.00 ATOM 213 CA VAL A 30 14.439 39.666 29.042 1.00 0.00 ATOM 214 CB VAL A 30 14.961 39.416 27.615 1.00 0.00 ATOM 215 CG1 VAL A 30 14.762 37.960 27.222 1.00 0.00 ATOM 216 CG2 VAL A 30 14.261 40.335 26.623 1.00 0.00 ATOM 217 O VAL A 30 14.146 37.523 30.068 1.00 0.00 ATOM 218 C VAL A 30 14.880 38.507 29.937 1.00 0.00 ATOM 219 N PHE A 31 16.102 38.608 30.439 1.00 0.00 ATOM 220 CA PHE A 31 16.638 37.485 31.201 1.00 0.00 ATOM 221 CB PHE A 31 17.969 37.022 30.607 1.00 0.00 ATOM 222 CG PHE A 31 17.897 36.687 29.145 1.00 0.00 ATOM 223 CD1 PHE A 31 18.648 37.393 28.217 1.00 0.00 ATOM 224 CD2 PHE A 31 17.077 35.664 28.693 1.00 0.00 ATOM 225 CE1 PHE A 31 18.582 37.086 26.872 1.00 0.00 ATOM 226 CE2 PHE A 31 17.009 35.353 27.349 1.00 0.00 ATOM 227 CZ PHE A 31 17.762 36.065 26.438 1.00 0.00 ATOM 228 O PHE A 31 17.591 37.130 33.424 1.00 0.00 ATOM 229 C PHE A 31 16.845 37.789 32.693 1.00 0.00 ATOM 230 N GLY A 32 15.951 38.662 33.136 1.00 0.00 ATOM 231 CA GLY A 32 15.734 39.006 34.541 1.00 0.00 ATOM 232 O GLY A 32 16.860 39.718 36.522 1.00 0.00 ATOM 233 C GLY A 32 16.830 39.745 35.293 1.00 0.00 ATOM 234 N ALA A 33 17.738 40.382 34.549 1.00 0.00 ATOM 235 CA ALA A 33 18.697 41.293 35.187 1.00 0.00 ATOM 236 CB ALA A 33 19.772 41.743 34.197 1.00 0.00 ATOM 237 O ALA A 33 17.009 43.021 35.137 1.00 0.00 ATOM 238 C ALA A 33 17.923 42.478 35.762 1.00 0.00 ATOM 239 N SER A 34 18.300 42.808 36.984 1.00 0.00 ATOM 240 CA SER A 34 17.683 43.932 37.710 1.00 0.00 ATOM 241 CB SER A 34 17.255 43.487 39.096 1.00 0.00 ATOM 242 OG SER A 34 18.344 43.064 39.870 1.00 0.00 ATOM 243 O SER A 34 18.128 46.273 37.882 1.00 0.00 ATOM 244 C SER A 34 18.601 45.148 37.829 1.00 0.00 ATOM 245 N VAL A 35 19.917 44.935 37.805 1.00 0.00 ATOM 246 CA VAL A 35 20.854 46.071 37.848 1.00 0.00 ATOM 247 CB VAL A 35 21.743 46.025 39.105 1.00 0.00 ATOM 248 CG1 VAL A 35 22.729 47.183 39.103 1.00 0.00 ATOM 249 CG2 VAL A 35 20.889 46.057 40.364 1.00 0.00 ATOM 250 O VAL A 35 22.520 45.165 36.355 1.00 0.00 ATOM 251 C VAL A 35 21.740 46.083 36.596 1.00 0.00 ATOM 252 N LEU A 36 21.727 47.267 35.998 1.00 0.00 ATOM 253 CA LEU A 36 22.653 47.605 34.910 1.00 0.00 ATOM 254 CB LEU A 36 21.892 47.723 33.584 1.00 0.00 ATOM 255 CG LEU A 36 22.700 48.309 32.418 1.00 0.00 ATOM 256 CD1 LEU A 36 23.858 47.385 32.068 1.00 0.00 ATOM 257 CD2 LEU A 36 21.787 48.509 31.217 1.00 0.00 ATOM 258 O LEU A 36 22.778 49.904 35.655 1.00 0.00 ATOM 259 C LEU A 36 23.377 48.906 35.260 1.00 0.00 ATOM 260 N VAL A 37 24.682 48.759 35.340 1.00 0.00 ATOM 261 CA VAL A 37 25.556 49.935 35.571 1.00 0.00 ATOM 262 CB VAL A 37 26.500 49.711 36.767 1.00 0.00 ATOM 263 CG1 VAL A 37 27.295 50.975 37.061 1.00 0.00 ATOM 264 CG2 VAL A 37 25.712 49.282 37.995 1.00 0.00 ATOM 265 O VAL A 37 26.684 49.252 33.574 1.00 0.00 ATOM 266 C VAL A 37 26.357 50.194 34.285 1.00 0.00 ATOM 267 N VAL A 38 26.779 51.435 34.112 1.00 0.00 ATOM 268 CA VAL A 38 27.508 51.827 32.892 1.00 0.00 ATOM 269 CB VAL A 38 26.518 52.260 31.787 1.00 0.00 ATOM 270 CG1 VAL A 38 25.735 53.506 32.206 1.00 0.00 ATOM 271 CG2 VAL A 38 27.151 52.472 30.410 1.00 0.00 ATOM 272 O VAL A 38 28.297 53.866 33.913 1.00 0.00 ATOM 273 C VAL A 38 28.545 52.925 33.165 1.00 0.00 ATOM 274 N GLY A 39 29.636 52.786 32.432 1.00 0.00 ATOM 275 CA GLY A 39 30.670 53.835 32.289 1.00 0.00 ATOM 276 O GLY A 39 30.741 53.431 29.952 1.00 0.00 ATOM 277 C GLY A 39 30.665 54.292 30.827 1.00 0.00 ATOM 278 N SER A 40 30.712 55.598 30.598 1.00 0.00 ATOM 279 CA SER A 40 30.718 56.200 29.244 1.00 0.00 ATOM 280 CB SER A 40 29.317 56.601 28.760 1.00 0.00 ATOM 281 OG SER A 40 28.478 55.448 28.680 1.00 0.00 ATOM 282 O SER A 40 32.013 58.023 30.160 1.00 0.00 ATOM 283 C SER A 40 31.678 57.401 29.160 1.00 0.00 ATOM 284 N LEU A 41 32.184 57.640 27.952 1.00 0.00 ATOM 285 CA LEU A 41 33.088 58.772 27.621 1.00 0.00 ATOM 286 CB LEU A 41 33.450 58.803 26.125 1.00 0.00 ATOM 287 CG LEU A 41 34.366 59.931 25.661 1.00 0.00 ATOM 288 CD1 LEU A 41 35.773 59.862 26.269 1.00 0.00 ATOM 289 CD2 LEU A 41 34.377 60.095 24.144 1.00 0.00 ATOM 290 O LEU A 41 32.865 60.747 28.954 1.00 0.00 ATOM 291 C LEU A 41 32.414 60.085 28.019 1.00 0.00 ATOM 292 N GLN A 42 31.327 60.399 27.329 1.00 0.00 ATOM 293 CA GLN A 42 30.555 61.601 27.681 1.00 0.00 ATOM 294 CB GLN A 42 29.517 61.908 26.598 1.00 0.00 ATOM 295 CG GLN A 42 30.113 62.271 25.250 1.00 0.00 ATOM 296 CD GLN A 42 30.938 63.543 25.305 1.00 0.00 ATOM 297 OE1 GLN A 42 30.456 64.593 25.740 1.00 0.00 ATOM 298 NE2 GLN A 42 32.186 63.457 24.860 1.00 0.00 ATOM 299 O GLN A 42 29.492 60.219 29.190 1.00 0.00 ATOM 300 C GLN A 42 29.901 61.370 29.012 1.00 0.00 ATOM 301 N CYS A 43 29.843 62.435 29.824 1.00 0.00 ATOM 302 CA CYS A 43 29.449 62.329 31.233 1.00 0.00 ATOM 303 CB CYS A 43 29.923 63.355 32.230 1.00 0.00 ATOM 304 SG CYS A 43 31.652 62.805 32.388 1.00 0.00 ATOM 305 O CYS A 43 27.123 62.270 31.827 1.00 0.00 ATOM 306 C CYS A 43 28.130 61.677 31.490 1.00 0.00 ATOM 307 N ILE A 44 28.552 60.431 31.621 1.00 0.00 ATOM 308 CA ILE A 44 27.831 59.236 31.175 1.00 0.00 ATOM 309 CB ILE A 44 27.975 58.113 32.188 1.00 0.00 ATOM 310 CG1 ILE A 44 29.467 57.981 32.504 1.00 0.00 ATOM 311 CG2 ILE A 44 27.366 56.827 31.602 1.00 0.00 ATOM 312 CD1 ILE A 44 29.665 56.877 33.496 1.00 0.00 ATOM 313 O ILE A 44 25.767 60.002 31.844 1.00 0.00 ATOM 314 C ILE A 44 26.399 59.617 30.884 1.00 0.00 ATOM 315 N SER A 45 26.306 60.170 29.689 1.00 0.00 ATOM 316 CA SER A 45 24.988 60.697 29.363 1.00 0.00 ATOM 317 CB SER A 45 25.082 62.174 29.035 1.00 0.00 ATOM 318 OG SER A 45 23.831 62.727 28.730 1.00 0.00 ATOM 319 O SER A 45 24.508 60.160 26.999 1.00 0.00 ATOM 320 C SER A 45 24.369 59.933 28.208 1.00 0.00 ATOM 321 N ASP A 46 23.982 58.766 28.676 1.00 0.00 ATOM 322 CA ASP A 46 23.467 57.746 27.767 1.00 0.00 ATOM 323 CB ASP A 46 23.627 56.352 28.378 1.00 0.00 ATOM 324 CG ASP A 46 25.057 55.829 28.385 1.00 0.00 ATOM 325 OD1 ASP A 46 25.886 56.413 27.729 1.00 0.00 ATOM 326 OD2 ASP A 46 25.341 54.949 29.163 1.00 0.00 ATOM 327 O ASP A 46 21.187 58.418 28.279 1.00 0.00 ATOM 328 C ASP A 46 21.999 58.024 27.436 1.00 0.00 ATOM 329 N LYS A 47 21.692 57.953 26.147 1.00 0.00 ATOM 330 CA LYS A 47 20.310 58.187 25.699 1.00 0.00 ATOM 331 CB LYS A 47 20.257 59.355 24.714 1.00 0.00 ATOM 332 CG LYS A 47 20.647 60.701 25.313 1.00 0.00 ATOM 333 CD LYS A 47 20.501 61.823 24.294 1.00 0.00 ATOM 334 CE LYS A 47 20.882 63.168 24.893 1.00 0.00 ATOM 335 NZ LYS A 47 20.650 64.288 23.941 1.00 0.00 ATOM 336 O LYS A 47 20.114 56.550 23.945 1.00 0.00 ATOM 337 C LYS A 47 19.742 56.918 25.063 1.00 0.00 ATOM 338 N GLN A 48 18.923 56.253 25.861 1.00 0.00 ATOM 339 CA GLN A 48 18.241 55.026 25.435 1.00 0.00 ATOM 340 CB GLN A 48 17.577 54.338 26.630 1.00 0.00 ATOM 341 CG GLN A 48 18.557 53.758 27.637 1.00 0.00 ATOM 342 CD GLN A 48 17.914 53.494 28.985 1.00 0.00 ATOM 343 OE1 GLN A 48 17.575 54.425 29.720 1.00 0.00 ATOM 344 NE2 GLN A 48 17.744 52.220 29.319 1.00 0.00 ATOM 345 O GLN A 48 16.728 56.458 24.217 1.00 0.00 ATOM 346 C GLN A 48 17.190 55.326 24.360 1.00 0.00 ATOM 347 N PHE A 49 17.068 54.366 23.465 1.00 0.00 ATOM 348 CA PHE A 49 16.065 54.443 22.409 1.00 0.00 ATOM 349 CB PHE A 49 16.622 53.952 21.074 1.00 0.00 ATOM 350 CG PHE A 49 17.657 54.871 20.436 1.00 0.00 ATOM 351 CD1 PHE A 49 17.978 56.109 20.983 1.00 0.00 ATOM 352 CD2 PHE A 49 18.301 54.473 19.286 1.00 0.00 ATOM 353 CE1 PHE A 49 18.940 56.900 20.390 1.00 0.00 ATOM 354 CE2 PHE A 49 19.264 55.263 18.693 1.00 0.00 ATOM 355 CZ PHE A 49 19.586 56.478 19.233 1.00 0.00 ATOM 356 O PHE A 49 14.827 52.431 22.674 1.00 0.00 ATOM 357 C PHE A 49 14.838 53.653 22.827 1.00 0.00 ATOM 358 N GLN A 50 13.765 54.410 23.009 1.00 0.00 ATOM 359 CA GLN A 50 12.487 53.813 23.411 1.00 0.00 ATOM 360 CB GLN A 50 11.442 54.904 23.669 1.00 0.00 ATOM 361 CG GLN A 50 11.701 55.731 24.917 1.00 0.00 ATOM 362 CD GLN A 50 10.697 56.854 25.084 1.00 0.00 ATOM 363 OE1 GLN A 50 9.830 57.065 24.231 1.00 0.00 ATOM 364 NE2 GLN A 50 10.810 57.589 26.186 1.00 0.00 ATOM 365 O GLN A 50 11.548 51.746 22.652 1.00 0.00 ATOM 366 C GLN A 50 11.972 52.844 22.343 1.00 0.00 ATOM 367 N HIS A 51 12.249 53.181 21.076 1.00 0.00 ATOM 368 CA HIS A 51 11.817 52.325 19.946 1.00 0.00 ATOM 369 CB HIS A 51 12.019 53.049 18.611 1.00 0.00 ATOM 370 CG HIS A 51 11.457 52.311 17.435 1.00 0.00 ATOM 371 CD2 HIS A 51 12.062 51.738 16.369 1.00 0.00 ATOM 372 ND1 HIS A 51 10.104 52.096 17.271 1.00 0.00 ATOM 373 CE1 HIS A 51 9.903 51.422 16.151 1.00 0.00 ATOM 374 NE2 HIS A 51 11.073 51.192 15.586 1.00 0.00 ATOM 375 O HIS A 51 12.023 49.989 19.382 1.00 0.00 ATOM 376 C HIS A 51 12.542 50.977 19.890 1.00 0.00 ATOM 377 N LEU A 52 13.765 50.961 20.396 1.00 0.00 ATOM 378 CA LEU A 52 14.561 49.720 20.447 1.00 0.00 ATOM 379 CB LEU A 52 16.044 50.031 20.208 1.00 0.00 ATOM 380 CG LEU A 52 16.435 50.259 18.742 1.00 0.00 ATOM 381 CD1 LEU A 52 15.978 49.082 17.891 1.00 0.00 ATOM 382 CD2 LEU A 52 15.815 51.558 18.247 1.00 0.00 ATOM 383 O LEU A 52 14.174 47.756 21.739 1.00 0.00 ATOM 384 C LEU A 52 14.410 48.964 21.763 1.00 0.00 ATOM 385 N SER A 53 14.511 49.695 22.858 1.00 0.00 ATOM 386 CA SER A 53 14.304 49.114 24.202 1.00 0.00 ATOM 387 CB SER A 53 14.601 50.149 25.269 1.00 0.00 ATOM 388 OG SER A 53 13.691 51.214 25.237 1.00 0.00 ATOM 389 O SER A 53 12.671 47.664 25.174 1.00 0.00 ATOM 390 C SER A 53 12.875 48.572 24.375 1.00 0.00 ATOM 391 N VAL A 54 11.920 49.176 23.661 1.00 0.00 ATOM 392 CA VAL A 54 10.500 48.765 23.720 1.00 0.00 ATOM 393 CB VAL A 54 10.307 47.322 23.218 1.00 0.00 ATOM 394 CG1 VAL A 54 8.845 46.913 23.322 1.00 0.00 ATOM 395 CG2 VAL A 54 10.796 47.188 21.783 1.00 0.00 ATOM 396 O VAL A 54 9.604 47.899 25.755 1.00 0.00 ATOM 397 C VAL A 54 10.004 48.897 25.166 1.00 0.00 ATOM 398 N SER A 55 10.310 50.050 25.780 1.00 0.00 ATOM 399 CA SER A 55 9.912 50.360 27.164 1.00 0.00 ATOM 400 CB SER A 55 8.419 50.159 27.336 1.00 0.00 ATOM 401 OG SER A 55 7.674 51.017 26.516 1.00 0.00 ATOM 402 O SER A 55 10.584 49.974 29.425 1.00 0.00 ATOM 403 C SER A 55 10.627 49.553 28.269 1.00 0.00 ATOM 404 N ALA A 56 11.413 48.531 27.914 1.00 0.00 ATOM 405 CA ALA A 56 12.152 47.663 28.867 1.00 0.00 ATOM 406 CB ALA A 56 12.935 46.590 28.125 1.00 0.00 ATOM 407 O ALA A 56 13.393 48.011 30.901 1.00 0.00 ATOM 408 C ALA A 56 13.128 48.412 29.771 1.00 0.00 ATOM 409 N GLU A 57 13.536 49.597 29.319 1.00 0.00 ATOM 410 CA GLU A 57 14.392 50.510 30.112 1.00 0.00 ATOM 411 CB GLU A 57 14.568 51.846 29.384 1.00 0.00 ATOM 412 CG GLU A 57 13.277 52.627 29.184 1.00 0.00 ATOM 413 CD GLU A 57 13.450 53.717 28.163 1.00 0.00 ATOM 414 OE1 GLU A 57 13.790 53.409 27.046 1.00 0.00 ATOM 415 OE2 GLU A 57 13.139 54.844 28.467 1.00 0.00 ATOM 416 O GLU A 57 14.483 51.091 32.457 1.00 0.00 ATOM 417 C GLU A 57 13.787 50.732 31.510 1.00 0.00 ATOM 418 N GLN A 58 12.448 50.716 31.553 1.00 0.00 ATOM 419 CA GLN A 58 11.649 51.024 32.755 1.00 0.00 ATOM 420 CB GLN A 58 10.161 51.102 32.405 1.00 0.00 ATOM 421 CG GLN A 58 9.782 52.312 31.566 1.00 0.00 ATOM 422 CD GLN A 58 8.315 52.314 31.185 1.00 0.00 ATOM 423 OE1 GLN A 58 7.570 51.386 31.515 1.00 0.00 ATOM 424 NE2 GLN A 58 7.888 53.357 30.482 1.00 0.00 ATOM 425 O GLN A 58 11.502 50.433 35.092 1.00 0.00 ATOM 426 C GLN A 58 11.761 50.056 33.945 1.00 0.00 ATOM 427 N TRP A 59 12.029 48.788 33.656 1.00 0.00 ATOM 428 CA TRP A 59 12.037 47.759 34.724 1.00 0.00 ATOM 429 CB TRP A 59 11.377 46.470 34.229 1.00 0.00 ATOM 430 CG TRP A 59 9.890 46.576 34.089 1.00 0.00 ATOM 431 CD1 TRP A 59 8.958 46.285 35.041 1.00 0.00 ATOM 432 CD2 TRP A 59 9.162 47.003 32.931 1.00 0.00 ATOM 433 CE2 TRP A 59 7.794 46.945 33.254 1.00 0.00 ATOM 434 CE3 TRP A 59 9.536 47.430 31.652 1.00 0.00 ATOM 435 NE1 TRP A 59 7.695 46.501 34.548 1.00 0.00 ATOM 436 CZ2 TRP A 59 6.803 47.294 32.351 1.00 0.00 ATOM 437 CZ3 TRP A 59 8.542 47.782 30.747 1.00 0.00 ATOM 438 CH2 TRP A 59 7.214 47.716 31.085 1.00 0.00 ATOM 439 O TRP A 59 13.556 46.883 36.378 1.00 0.00 ATOM 440 C TRP A 59 13.424 47.399 35.268 1.00 0.00 ATOM 441 N LEU A 60 14.440 47.946 34.603 1.00 0.00 ATOM 442 CA LEU A 60 15.846 47.757 34.991 1.00 0.00 ATOM 443 CB LEU A 60 16.614 47.452 33.713 1.00 0.00 ATOM 444 CG LEU A 60 18.103 47.261 33.954 1.00 0.00 ATOM 445 CD1 LEU A 60 18.400 45.912 34.613 1.00 0.00 ATOM 446 CD2 LEU A 60 18.748 47.328 32.583 1.00 0.00 ATOM 447 O LEU A 60 16.308 50.107 34.944 1.00 0.00 ATOM 448 C LEU A 60 16.389 49.055 35.595 1.00 0.00 ATOM 449 N PRO A 61 16.808 49.062 36.854 1.00 0.00 ATOM 450 CA PRO A 61 17.723 50.121 37.320 1.00 0.00 ATOM 451 CB PRO A 61 17.905 49.939 38.823 1.00 0.00 ATOM 452 CG PRO A 61 16.953 48.800 39.178 1.00 0.00 ATOM 453 CD PRO A 61 15.978 48.676 37.997 1.00 0.00 ATOM 454 O PRO A 61 20.001 49.464 36.728 1.00 0.00 ATOM 455 C PRO A 61 19.056 50.240 36.568 1.00 0.00 ATOM 456 N LEU A 62 19.103 51.367 35.885 1.00 0.00 ATOM 457 CA LEU A 62 20.275 51.792 35.107 1.00 0.00 ATOM 458 CB LEU A 62 19.858 52.159 33.677 1.00 0.00 ATOM 459 CG LEU A 62 20.944 52.840 32.833 1.00 0.00 ATOM 460 CD1 LEU A 62 22.120 51.893 32.635 1.00 0.00 ATOM 461 CD2 LEU A 62 20.359 53.263 31.495 1.00 0.00 ATOM 462 O LEU A 62 20.358 53.982 36.128 1.00 0.00 ATOM 463 C LEU A 62 20.973 52.970 35.783 1.00 0.00 ATOM 464 N VAL A 63 22.176 52.655 36.227 1.00 0.00 ATOM 465 CA VAL A 63 23.029 53.588 36.984 1.00 0.00 ATOM 466 CB VAL A 63 23.381 53.029 38.375 1.00 0.00 ATOM 467 CG1 VAL A 63 24.297 53.990 39.118 1.00 0.00 ATOM 468 CG2 VAL A 63 22.117 52.769 39.182 1.00 0.00 ATOM 469 O VAL A 63 25.140 52.985 35.981 1.00 0.00 ATOM 470 C VAL A 63 24.313 53.870 36.196 1.00 0.00 ATOM 471 N GLU A 64 24.546 55.172 36.031 1.00 0.00 ATOM 472 CA GLU A 64 25.809 55.653 35.451 1.00 0.00 ATOM 473 CB GLU A 64 25.612 57.023 34.799 1.00 0.00 ATOM 474 CG GLU A 64 24.629 57.031 33.637 1.00 0.00 ATOM 475 CD GLU A 64 23.210 57.126 34.121 1.00 0.00 ATOM 476 OE1 GLU A 64 23.014 57.208 35.310 1.00 0.00 ATOM 477 OE2 GLU A 64 22.329 57.233 33.301 1.00 0.00 ATOM 478 O GLU A 64 26.576 56.025 37.704 1.00 0.00 ATOM 479 C GLU A 64 26.867 55.705 36.560 1.00 0.00 ATOM 480 N VAL A 65 28.068 55.258 36.227 1.00 0.00 ATOM 481 CA VAL A 65 29.195 55.201 37.187 1.00 0.00 ATOM 482 CB VAL A 65 29.638 53.751 37.455 1.00 0.00 ATOM 483 CG1 VAL A 65 30.273 53.150 36.209 1.00 0.00 ATOM 484 CG2 VAL A 65 30.609 53.695 38.625 1.00 0.00 ATOM 485 O VAL A 65 30.905 55.743 35.604 1.00 0.00 ATOM 486 C VAL A 65 30.392 56.007 36.674 1.00 0.00 ATOM 487 N LYS A 66 31.063 56.749 37.539 1.00 0.00 ATOM 488 CA LYS A 66 32.209 57.577 37.129 1.00 0.00 ATOM 489 CB LYS A 66 32.698 58.433 38.299 1.00 0.00 ATOM 490 CG LYS A 66 31.725 59.523 38.728 1.00 0.00 ATOM 491 CD LYS A 66 32.285 60.343 39.882 1.00 0.00 ATOM 492 CE LYS A 66 31.307 61.421 40.322 1.00 0.00 ATOM 493 NZ LYS A 66 31.832 62.215 41.466 1.00 0.00 ATOM 494 O LYS A 66 33.736 55.769 37.355 1.00 0.00 ATOM 495 C LYS A 66 33.333 56.652 36.603 1.00 0.00 ATOM 496 N PRO A 67 33.907 56.939 35.424 1.00 0.00 ATOM 497 CA PRO A 67 35.100 56.203 34.936 1.00 0.00 ATOM 498 CB PRO A 67 35.553 56.926 33.665 1.00 0.00 ATOM 499 CG PRO A 67 34.282 57.625 33.184 1.00 0.00 ATOM 500 CD PRO A 67 33.501 57.978 34.452 1.00 0.00 ATOM 501 O PRO A 67 36.714 55.022 36.210 1.00 0.00 ATOM 502 C PRO A 67 36.251 56.140 35.966 1.00 0.00 ATOM 503 N PRO A 68 36.540 57.207 36.729 1.00 0.00 ATOM 504 CA PRO A 68 37.601 57.194 37.741 1.00 0.00 ATOM 505 CB PRO A 68 37.590 58.597 38.325 1.00 0.00 ATOM 506 CG PRO A 68 37.039 59.479 37.211 1.00 0.00 ATOM 507 CD PRO A 68 35.948 58.555 36.719 1.00 0.00 ATOM 508 O PRO A 68 38.217 55.724 39.501 1.00 0.00 ATOM 509 C PRO A 68 37.302 56.198 38.862 1.00 0.00 ATOM 510 N GLN A 69 36.062 55.795 39.079 1.00 0.00 ATOM 511 CA GLN A 69 35.752 54.853 40.174 1.00 0.00 ATOM 512 CB GLN A 69 34.553 55.351 40.985 1.00 0.00 ATOM 513 CG GLN A 69 34.744 56.727 41.598 1.00 0.00 ATOM 514 CD GLN A 69 35.854 56.751 42.631 1.00 0.00 ATOM 515 OE1 GLN A 69 35.952 55.860 43.478 1.00 0.00 ATOM 516 NE2 GLN A 69 36.696 57.777 42.570 1.00 0.00 ATOM 517 O GLN A 69 35.085 52.563 40.595 1.00 0.00 ATOM 518 C GLN A 69 35.443 53.409 39.766 1.00 0.00 ATOM 519 N LEU A 70 35.802 53.095 38.531 1.00 0.00 ATOM 520 CA LEU A 70 35.610 51.752 37.955 1.00 0.00 ATOM 521 CB LEU A 70 35.933 51.767 36.457 1.00 0.00 ATOM 522 CG LEU A 70 34.856 52.389 35.560 1.00 0.00 ATOM 523 CD1 LEU A 70 35.367 52.510 34.131 1.00 0.00 ATOM 524 CD2 LEU A 70 33.596 51.537 35.612 1.00 0.00 ATOM 525 O LEU A 70 35.938 49.548 38.866 1.00 0.00 ATOM 526 C LEU A 70 36.448 50.648 38.632 1.00 0.00 ATOM 527 N ILE A 71 37.699 50.952 38.982 1.00 0.00 ATOM 528 CA ILE A 71 38.564 49.971 39.670 1.00 0.00 ATOM 529 CB ILE A 71 39.986 50.519 39.880 1.00 0.00 ATOM 530 CG1 ILE A 71 40.700 50.681 38.535 1.00 0.00 ATOM 531 CG2 ILE A 71 40.780 49.603 40.799 1.00 0.00 ATOM 532 CD1 ILE A 71 41.993 51.460 38.619 1.00 0.00 ATOM 533 O ILE A 71 37.789 48.392 41.310 1.00 0.00 ATOM 534 C ILE A 71 37.966 49.573 41.028 1.00 0.00 ATOM 535 N ASP A 72 37.584 50.593 41.793 1.00 0.00 ATOM 536 CA ASP A 72 36.994 50.360 43.132 1.00 0.00 ATOM 537 CB ASP A 72 36.829 51.684 43.883 1.00 0.00 ATOM 538 CG ASP A 72 38.134 52.291 44.382 1.00 0.00 ATOM 539 OD1 ASP A 72 39.128 51.606 44.367 1.00 0.00 ATOM 540 OD2 ASP A 72 38.160 53.474 44.623 1.00 0.00 ATOM 541 O ASP A 72 35.348 48.757 43.850 1.00 0.00 ATOM 542 C ASP A 72 35.646 49.647 43.066 1.00 0.00 ATOM 543 N TYR A 73 34.860 50.038 42.067 1.00 0.00 ATOM 544 CA TYR A 73 33.551 49.417 41.797 1.00 0.00 ATOM 545 CB TYR A 73 32.865 50.103 40.613 1.00 0.00 ATOM 546 CG TYR A 73 31.651 49.366 40.095 1.00 0.00 ATOM 547 CD1 TYR A 73 30.512 49.231 40.877 1.00 0.00 ATOM 548 CD2 TYR A 73 31.645 48.809 38.827 1.00 0.00 ATOM 549 CE1 TYR A 73 29.400 48.558 40.409 1.00 0.00 ATOM 550 CE2 TYR A 73 30.539 48.134 38.347 1.00 0.00 ATOM 551 CZ TYR A 73 29.417 48.011 39.142 1.00 0.00 ATOM 552 OH TYR A 73 28.312 47.341 38.669 1.00 0.00 ATOM 553 O TYR A 73 32.836 47.147 42.046 1.00 0.00 ATOM 554 C TYR A 73 33.630 47.924 41.516 1.00 0.00 ATOM 555 N LEU A 74 34.663 47.536 40.756 1.00 0.00 ATOM 556 CA LEU A 74 34.946 46.102 40.539 1.00 0.00 ATOM 557 CB LEU A 74 36.162 45.936 39.621 1.00 0.00 ATOM 558 CG LEU A 74 35.837 45.688 38.142 1.00 0.00 ATOM 559 CD1 LEU A 74 34.636 46.528 37.724 1.00 0.00 ATOM 560 CD2 LEU A 74 37.052 46.025 37.290 1.00 0.00 ATOM 561 O LEU A 74 34.493 44.404 42.179 1.00 0.00 ATOM 562 C LEU A 74 35.175 45.378 41.878 1.00 0.00 ATOM 563 N GLN A 75 35.894 46.062 42.779 1.00 0.00 ATOM 564 CA GLN A 75 36.140 45.596 44.156 1.00 0.00 ATOM 565 CB GLN A 75 37.179 46.485 44.844 1.00 0.00 ATOM 566 CG GLN A 75 38.589 46.332 44.299 1.00 0.00 ATOM 567 CD GLN A 75 39.567 47.295 44.945 1.00 0.00 ATOM 568 OE1 GLN A 75 39.182 48.139 45.760 1.00 0.00 ATOM 569 NE2 GLN A 75 40.839 47.176 44.582 1.00 0.00 ATOM 570 O GLN A 75 34.849 44.634 45.861 1.00 0.00 ATOM 571 C GLN A 75 34.918 45.542 45.067 1.00 0.00 ATOM 572 N GLN A 76 33.975 46.469 44.944 1.00 0.00 ATOM 573 CA GLN A 76 32.794 46.530 45.838 1.00 0.00 ATOM 574 CB GLN A 76 31.908 47.724 45.474 1.00 0.00 ATOM 575 CG GLN A 76 32.504 49.074 45.833 1.00 0.00 ATOM 576 CD GLN A 76 31.654 50.231 45.343 1.00 0.00 ATOM 577 OE1 GLN A 76 30.619 50.031 44.701 1.00 0.00 ATOM 578 NE2 GLN A 76 32.087 51.450 45.639 1.00 0.00 ATOM 579 O GLN A 76 31.822 44.526 46.763 1.00 0.00 ATOM 580 C GLN A 76 31.953 45.250 45.787 1.00 0.00 ATOM 581 N LYS A 77 31.587 44.870 44.575 1.00 0.00 ATOM 582 CA LYS A 77 30.878 43.594 44.382 1.00 0.00 ATOM 583 CB LYS A 77 30.304 43.509 42.966 1.00 0.00 ATOM 584 CG LYS A 77 29.314 44.612 42.621 1.00 0.00 ATOM 585 CD LYS A 77 28.219 44.721 43.672 1.00 0.00 ATOM 586 CE LYS A 77 27.223 45.818 43.322 1.00 0.00 ATOM 587 NZ LYS A 77 26.148 45.939 44.344 1.00 0.00 ATOM 588 O LYS A 77 31.318 41.413 45.271 1.00 0.00 ATOM 589 C LYS A 77 31.761 42.368 44.637 1.00 0.00 ATOM 590 N LYS A 78 33.012 42.423 44.182 1.00 0.00 ATOM 591 CA LYS A 78 33.950 41.318 44.435 1.00 0.00 ATOM 592 CB LYS A 78 35.307 41.610 43.794 1.00 0.00 ATOM 593 CG LYS A 78 36.336 40.501 43.967 1.00 0.00 ATOM 594 CD LYS A 78 37.633 40.831 43.244 1.00 0.00 ATOM 595 CE LYS A 78 38.677 39.743 43.450 1.00 0.00 ATOM 596 NZ LYS A 78 39.956 40.061 42.761 1.00 0.00 ATOM 597 O LYS A 78 33.952 39.935 46.412 1.00 0.00 ATOM 598 C LYS A 78 34.132 41.052 45.945 1.00 0.00 ATOM 599 N THR A 79 34.343 42.109 46.702 1.00 0.00 ATOM 600 CA THR A 79 34.503 42.020 48.172 1.00 0.00 ATOM 601 CB THR A 79 34.957 43.362 48.744 1.00 0.00 ATOM 602 CG2 THR A 79 36.339 43.713 48.218 1.00 0.00 ATOM 603 OG1 THR A 79 34.033 44.374 48.337 1.00 0.00 ATOM 604 O THR A 79 33.300 40.942 49.956 1.00 0.00 ATOM 605 C THR A 79 33.247 41.554 48.888 1.00 0.00 ATOM 606 N GLU A 80 32.139 41.689 48.179 1.00 0.00 ATOM 607 CA GLU A 80 30.849 41.251 48.706 1.00 0.00 ATOM 608 CB GLU A 80 29.741 42.218 48.283 1.00 0.00 ATOM 609 CG GLU A 80 29.825 43.592 48.935 1.00 0.00 ATOM 610 CD GLU A 80 28.752 44.508 48.415 1.00 0.00 ATOM 611 OE1 GLU A 80 27.602 44.143 48.481 1.00 0.00 ATOM 612 OE2 GLU A 80 29.069 45.619 48.057 1.00 0.00 ATOM 613 O GLU A 80 29.430 39.298 48.635 1.00 0.00 ATOM 614 C GLU A 80 30.474 39.819 48.256 1.00 0.00 ATOM 615 N GLY A 81 31.360 39.154 47.500 1.00 0.00 ATOM 616 CA GLY A 81 31.183 37.738 47.107 1.00 0.00 ATOM 617 O GLY A 81 30.432 36.367 45.277 1.00 0.00 ATOM 618 C GLY A 81 30.746 37.491 45.653 1.00 0.00 ATOM 619 N TYR A 82 30.575 38.565 44.904 1.00 0.00 ATOM 620 CA TYR A 82 30.248 38.443 43.476 1.00 0.00 ATOM 621 CB TYR A 82 29.604 39.732 42.963 1.00 0.00 ATOM 622 CG TYR A 82 28.189 39.947 43.452 1.00 0.00 ATOM 623 CD1 TYR A 82 27.943 40.459 44.717 1.00 0.00 ATOM 624 CD2 TYR A 82 27.103 39.639 42.645 1.00 0.00 ATOM 625 CE1 TYR A 82 26.653 40.658 45.169 1.00 0.00 ATOM 626 CE2 TYR A 82 25.809 39.833 43.087 1.00 0.00 ATOM 627 CZ TYR A 82 25.587 40.343 44.351 1.00 0.00 ATOM 628 OH TYR A 82 24.300 40.539 44.794 1.00 0.00 ATOM 629 O TYR A 82 32.540 38.750 42.841 1.00 0.00 ATOM 630 C TYR A 82 31.511 38.114 42.676 1.00 0.00 ATOM 631 N THR A 83 31.329 37.187 41.738 1.00 0.00 ATOM 632 CA THR A 83 32.417 36.860 40.801 1.00 0.00 ATOM 633 CB THR A 83 32.355 35.386 40.355 1.00 0.00 ATOM 634 CG2 THR A 83 33.558 35.041 39.491 1.00 0.00 ATOM 635 OG1 THR A 83 32.337 34.537 41.509 1.00 0.00 ATOM 636 O THR A 83 31.214 38.046 39.044 1.00 0.00 ATOM 637 C THR A 83 32.293 37.802 39.604 1.00 0.00 ATOM 638 N ILE A 84 33.449 38.342 39.249 1.00 0.00 ATOM 639 CA ILE A 84 33.521 39.329 38.159 1.00 0.00 ATOM 640 CB ILE A 84 34.509 40.463 38.488 1.00 0.00 ATOM 641 CG1 ILE A 84 34.237 41.019 39.889 1.00 0.00 ATOM 642 CG2 ILE A 84 34.416 41.568 37.447 1.00 0.00 ATOM 643 CD1 ILE A 84 32.842 41.572 40.066 1.00 0.00 ATOM 644 O ILE A 84 35.056 38.118 36.710 1.00 0.00 ATOM 645 C ILE A 84 33.941 38.609 36.872 1.00 0.00 ATOM 646 N ILE A 85 32.974 38.538 35.965 1.00 0.00 ATOM 647 CA ILE A 85 33.153 37.887 34.658 1.00 0.00 ATOM 648 CB ILE A 85 32.143 36.731 34.457 1.00 0.00 ATOM 649 CG1 ILE A 85 32.380 36.138 33.063 1.00 0.00 ATOM 650 CG2 ILE A 85 30.680 37.151 34.655 1.00 0.00 ATOM 651 CD1 ILE A 85 31.927 34.693 32.961 1.00 0.00 ATOM 652 O ILE A 85 32.150 39.552 33.222 1.00 0.00 ATOM 653 C ILE A 85 33.164 38.921 33.536 1.00 0.00 ATOM 654 N GLY A 86 34.327 39.062 32.923 1.00 0.00 ATOM 655 CA GLY A 86 34.512 40.072 31.871 1.00 0.00 ATOM 656 O GLY A 86 35.660 38.537 30.411 1.00 0.00 ATOM 657 C GLY A 86 34.864 39.470 30.512 1.00 0.00 ATOM 658 N VAL A 87 34.251 40.077 29.509 1.00 0.00 ATOM 659 CA VAL A 87 34.570 39.791 28.092 1.00 0.00 ATOM 660 CB VAL A 87 33.479 40.332 27.147 1.00 0.00 ATOM 661 CG1 VAL A 87 33.859 40.081 25.696 1.00 0.00 ATOM 662 CG2 VAL A 87 32.135 39.691 27.462 1.00 0.00 ATOM 663 O VAL A 87 36.100 41.630 27.926 1.00 0.00 ATOM 664 C VAL A 87 35.925 40.416 27.748 1.00 0.00 ATOM 665 N GLU A 88 36.863 39.536 27.427 1.00 0.00 ATOM 666 CA GLU A 88 38.239 39.911 27.095 1.00 0.00 ATOM 667 CB GLU A 88 39.172 39.628 28.275 1.00 0.00 ATOM 668 CG GLU A 88 40.625 40.011 28.034 1.00 0.00 ATOM 669 CD GLU A 88 41.514 39.497 29.132 1.00 0.00 ATOM 670 OE1 GLU A 88 41.014 38.860 30.027 1.00 0.00 ATOM 671 OE2 GLU A 88 42.709 39.641 29.018 1.00 0.00 ATOM 672 O GLU A 88 38.636 37.902 25.836 1.00 0.00 ATOM 673 C GLU A 88 38.663 39.143 25.854 1.00 0.00 ATOM 674 N GLN A 89 38.875 39.912 24.804 1.00 0.00 ATOM 675 CA GLN A 89 39.342 39.387 23.516 1.00 0.00 ATOM 676 CB GLN A 89 39.127 40.419 22.406 1.00 0.00 ATOM 677 CG GLN A 89 39.524 39.937 21.021 1.00 0.00 ATOM 678 CD GLN A 89 38.680 38.766 20.553 1.00 0.00 ATOM 679 OE1 GLN A 89 37.459 38.755 20.722 1.00 0.00 ATOM 680 NE2 GLN A 89 39.330 37.768 19.964 1.00 0.00 ATOM 681 O GLN A 89 41.741 39.795 23.393 1.00 0.00 ATOM 682 C GLN A 89 40.829 39.007 23.612 1.00 0.00 ATOM 683 N THR A 90 41.021 37.743 23.934 1.00 0.00 ATOM 684 CA THR A 90 42.374 37.189 24.111 1.00 0.00 ATOM 685 CB THR A 90 43.010 37.594 25.452 1.00 0.00 ATOM 686 CG2 THR A 90 42.230 37.141 26.694 1.00 0.00 ATOM 687 OG1 THR A 90 44.326 37.040 25.547 1.00 0.00 ATOM 688 O THR A 90 41.508 35.003 24.516 1.00 0.00 ATOM 689 C THR A 90 42.345 35.672 23.941 1.00 0.00 ATOM 690 N ALA A 91 43.442 35.154 23.400 1.00 0.00 ATOM 691 CA ALA A 91 43.644 33.689 23.357 1.00 0.00 ATOM 692 CB ALA A 91 44.915 33.336 22.573 1.00 0.00 ATOM 693 O ALA A 91 43.571 31.842 24.903 1.00 0.00 ATOM 694 C ALA A 91 43.705 33.058 24.759 1.00 0.00 ATOM 695 N LYS A 92 44.019 33.865 25.778 1.00 0.00 ATOM 696 CA LYS A 92 44.096 33.376 27.161 1.00 0.00 ATOM 697 CB LYS A 92 45.071 34.226 27.976 1.00 0.00 ATOM 698 CG LYS A 92 46.522 34.128 27.525 1.00 0.00 ATOM 699 CD LYS A 92 47.426 35.014 28.369 1.00 0.00 ATOM 700 CE LYS A 92 48.875 34.918 27.918 1.00 0.00 ATOM 701 NZ LYS A 92 49.771 35.784 28.732 1.00 0.00 ATOM 702 O LYS A 92 42.669 32.703 28.974 1.00 0.00 ATOM 703 C LYS A 92 42.750 33.333 27.924 1.00 0.00 ATOM 704 N SER A 93 41.701 33.891 27.316 1.00 0.00 ATOM 705 CA SER A 93 40.324 33.848 27.869 1.00 0.00 ATOM 706 CB SER A 93 39.483 34.955 27.263 1.00 0.00 ATOM 707 OG SER A 93 39.784 36.207 27.816 1.00 0.00 ATOM 708 O SER A 93 40.086 31.719 26.756 1.00 0.00 ATOM 709 C SER A 93 39.678 32.482 27.617 1.00 0.00 ATOM 710 N LEU A 94 38.657 32.185 28.390 1.00 0.00 ATOM 711 CA LEU A 94 37.973 30.880 28.290 1.00 0.00 ATOM 712 CB LEU A 94 37.738 30.306 29.691 1.00 0.00 ATOM 713 CG LEU A 94 39.029 30.131 30.485 1.00 0.00 ATOM 714 CD1 LEU A 94 38.665 29.553 31.842 1.00 0.00 ATOM 715 CD2 LEU A 94 40.047 29.236 29.766 1.00 0.00 ATOM 716 O LEU A 94 35.986 32.078 27.679 1.00 0.00 ATOM 717 C LEU A 94 36.622 31.028 27.587 1.00 0.00 ATOM 718 N ASP A 95 36.177 29.918 27.010 1.00 0.00 ATOM 719 CA ASP A 95 34.808 29.808 26.456 1.00 0.00 ATOM 720 CB ASP A 95 34.510 28.365 26.040 1.00 0.00 ATOM 721 CG ASP A 95 35.239 27.911 24.782 1.00 0.00 ATOM 722 OD1 ASP A 95 35.835 28.737 24.133 1.00 0.00 ATOM 723 OD2 ASP A 95 35.325 26.726 24.567 1.00 0.00 ATOM 724 O ASP A 95 33.903 29.878 28.682 1.00 0.00 ATOM 725 C ASP A 95 33.828 30.306 27.522 1.00 0.00 ATOM 726 N LEU A 96 32.986 31.241 27.120 1.00 0.00 ATOM 727 CA LEU A 96 31.866 31.748 27.936 1.00 0.00 ATOM 728 CB LEU A 96 30.938 32.616 27.079 1.00 0.00 ATOM 729 CG LEU A 96 30.017 31.844 26.125 1.00 0.00 ATOM 730 CD1 LEU A 96 28.630 31.703 26.738 1.00 0.00 ATOM 731 CD2 LEU A 96 29.945 32.569 24.789 1.00 0.00 ATOM 732 O LEU A 96 30.475 30.989 29.733 1.00 0.00 ATOM 733 C LEU A 96 30.983 30.717 28.643 1.00 0.00 ATOM 734 N THR A 97 30.920 29.516 28.079 1.00 0.00 ATOM 735 CA THR A 97 30.066 28.442 28.622 1.00 0.00 ATOM 736 CB THR A 97 29.693 27.414 27.537 1.00 0.00 ATOM 737 CG2 THR A 97 28.935 28.085 26.404 1.00 0.00 ATOM 738 OG1 THR A 97 30.884 26.809 27.019 1.00 0.00 ATOM 739 O THR A 97 30.123 26.783 30.374 1.00 0.00 ATOM 740 C THR A 97 30.714 27.683 29.792 1.00 0.00 ATOM 741 N GLN A 98 31.985 27.992 30.057 1.00 0.00 ATOM 742 CA GLN A 98 32.766 27.339 31.131 1.00 0.00 ATOM 743 CB GLN A 98 34.263 27.391 30.813 1.00 0.00 ATOM 744 CG GLN A 98 34.655 26.655 29.545 1.00 0.00 ATOM 745 CD GLN A 98 34.278 25.186 29.588 1.00 0.00 ATOM 746 OE1 GLN A 98 34.535 24.493 30.575 1.00 0.00 ATOM 747 NE2 GLN A 98 33.668 24.702 28.512 1.00 0.00 ATOM 748 O GLN A 98 33.018 27.438 33.517 1.00 0.00 ATOM 749 C GLN A 98 32.540 27.961 32.515 1.00 0.00 ATOM 750 N TYR A 99 31.982 29.167 32.516 1.00 0.00 ATOM 751 CA TYR A 99 31.678 29.863 33.768 1.00 0.00 ATOM 752 CB TYR A 99 31.595 31.374 33.535 1.00 0.00 ATOM 753 CG TYR A 99 31.307 32.172 34.786 1.00 0.00 ATOM 754 CD1 TYR A 99 32.233 32.241 35.816 1.00 0.00 ATOM 755 CD2 TYR A 99 30.111 32.859 34.931 1.00 0.00 ATOM 756 CE1 TYR A 99 31.976 32.969 36.962 1.00 0.00 ATOM 757 CE2 TYR A 99 29.843 33.591 36.072 1.00 0.00 ATOM 758 CZ TYR A 99 30.779 33.644 37.086 1.00 0.00 ATOM 759 OH TYR A 99 30.516 34.372 38.223 1.00 0.00 ATOM 760 O TYR A 99 29.415 29.034 33.687 1.00 0.00 ATOM 761 C TYR A 99 30.373 29.360 34.385 1.00 0.00 ATOM 762 N CYS A 100 30.395 29.368 35.715 1.00 0.00 ATOM 763 CA CYS A 100 29.230 29.033 36.537 1.00 0.00 ATOM 764 CB CYS A 100 29.584 28.153 37.737 1.00 0.00 ATOM 765 SG CYS A 100 28.047 27.587 38.568 1.00 0.00 ATOM 766 O CYS A 100 28.673 30.887 38.036 1.00 0.00 ATOM 767 C CYS A 100 28.497 30.291 36.976 1.00 0.00 ATOM 768 N PHE A 101 27.686 30.739 36.055 1.00 0.00 ATOM 769 CA PHE A 101 26.730 31.817 36.246 1.00 0.00 ATOM 770 CB PHE A 101 26.119 31.807 34.873 1.00 0.00 ATOM 771 CG PHE A 101 26.893 32.639 33.836 1.00 0.00 ATOM 772 CD1 PHE A 101 27.268 31.893 32.760 1.00 0.00 ATOM 773 CD2 PHE A 101 27.319 33.962 33.929 1.00 0.00 ATOM 774 CE1 PHE A 101 28.113 32.381 31.783 1.00 0.00 ATOM 775 CE2 PHE A 101 28.170 34.480 32.949 1.00 0.00 ATOM 776 CZ PHE A 101 28.578 33.675 31.908 1.00 0.00 ATOM 777 O PHE A 101 25.560 32.727 38.080 1.00 0.00 ATOM 778 C PHE A 101 25.729 31.718 37.430 1.00 0.00 ATOM 779 N PRO A 102 25.206 30.552 37.874 1.00 0.00 ATOM 780 CA PRO A 102 24.239 30.464 38.987 1.00 0.00 ATOM 781 CB PRO A 102 24.086 28.976 39.239 1.00 0.00 ATOM 782 CG PRO A 102 24.205 28.446 37.839 1.00 0.00 ATOM 783 CD PRO A 102 25.374 29.236 37.285 1.00 0.00 ATOM 784 O PRO A 102 23.805 31.288 41.188 1.00 0.00 ATOM 785 C PRO A 102 24.651 31.099 40.313 1.00 0.00 ATOM 786 N GLU A 103 25.946 31.268 40.538 1.00 0.00 ATOM 787 CA GLU A 103 26.413 31.973 41.743 1.00 0.00 ATOM 788 CB GLU A 103 27.893 31.678 41.996 1.00 0.00 ATOM 789 CG GLU A 103 28.196 30.226 42.342 1.00 0.00 ATOM 790 CD GLU A 103 27.527 29.820 43.626 1.00 0.00 ATOM 791 OE1 GLU A 103 27.667 30.526 44.596 1.00 0.00 ATOM 792 OE2 GLU A 103 26.783 28.868 43.609 1.00 0.00 ATOM 793 O GLU A 103 25.401 33.935 40.766 1.00 0.00 ATOM 794 C GLU A 103 26.181 33.499 41.607 1.00 0.00 ATOM 795 N LYS A 104 26.563 34.261 42.634 1.00 0.00 ATOM 796 CA LYS A 104 26.422 35.733 42.593 1.00 0.00 ATOM 797 CB LYS A 104 26.596 36.326 43.992 1.00 0.00 ATOM 798 CG LYS A 104 25.485 35.968 44.971 1.00 0.00 ATOM 799 CD LYS A 104 25.670 36.680 46.302 1.00 0.00 ATOM 800 CE LYS A 104 24.556 36.329 47.277 1.00 0.00 ATOM 801 NZ LYS A 104 24.708 37.041 48.575 1.00 0.00 ATOM 802 O LYS A 104 28.657 36.100 41.779 1.00 0.00 ATOM 803 C LYS A 104 27.460 36.297 41.607 1.00 0.00 ATOM 804 N SER A 105 26.962 36.886 40.522 1.00 0.00 ATOM 805 CA SER A 105 27.799 37.250 39.349 1.00 0.00 ATOM 806 CB SER A 105 27.600 36.246 38.232 1.00 0.00 ATOM 807 OG SER A 105 27.770 34.927 38.674 1.00 0.00 ATOM 808 O SER A 105 26.401 39.146 38.765 1.00 0.00 ATOM 809 C SER A 105 27.535 38.651 38.800 1.00 0.00 ATOM 810 N LEU A 106 28.641 39.296 38.453 1.00 0.00 ATOM 811 CA LEU A 106 28.674 40.573 37.718 1.00 0.00 ATOM 812 CB LEU A 106 29.467 41.620 38.511 1.00 0.00 ATOM 813 CG LEU A 106 29.455 43.035 37.918 1.00 0.00 ATOM 814 CD1 LEU A 106 28.036 43.587 37.918 1.00 0.00 ATOM 815 CD2 LEU A 106 30.384 43.932 38.723 1.00 0.00 ATOM 816 O LEU A 106 30.464 39.976 36.232 1.00 0.00 ATOM 817 C LEU A 106 29.282 40.308 36.350 1.00 0.00 ATOM 818 N LEU A 107 28.454 40.512 35.342 1.00 0.00 ATOM 819 CA LEU A 107 28.882 40.385 33.953 1.00 0.00 ATOM 820 CB LEU A 107 27.778 39.723 33.119 1.00 0.00 ATOM 821 CG LEU A 107 28.093 39.567 31.625 1.00 0.00 ATOM 822 CD1 LEU A 107 29.270 38.622 31.436 1.00 0.00 ATOM 823 CD2 LEU A 107 26.862 39.048 30.897 1.00 0.00 ATOM 824 O LEU A 107 28.417 42.654 33.235 1.00 0.00 ATOM 825 C LEU A 107 29.250 41.754 33.369 1.00 0.00 ATOM 826 N LEU A 108 30.506 41.845 32.984 1.00 0.00 ATOM 827 CA LEU A 108 31.043 43.077 32.391 1.00 0.00 ATOM 828 CB LEU A 108 32.349 43.476 33.089 1.00 0.00 ATOM 829 CG LEU A 108 32.196 43.960 34.536 1.00 0.00 ATOM 830 CD1 LEU A 108 32.067 42.767 35.473 1.00 0.00 ATOM 831 CD2 LEU A 108 33.392 44.819 34.916 1.00 0.00 ATOM 832 O LEU A 108 31.915 41.964 30.413 1.00 0.00 ATOM 833 C LEU A 108 31.272 42.910 30.880 1.00 0.00 ATOM 834 N LEU A 109 30.633 43.808 30.141 1.00 0.00 ATOM 835 CA LEU A 109 30.740 43.852 28.682 1.00 0.00 ATOM 836 CB LEU A 109 29.505 43.204 28.042 1.00 0.00 ATOM 837 CG LEU A 109 28.210 43.323 28.855 1.00 0.00 ATOM 838 CD1 LEU A 109 27.667 44.743 28.767 1.00 0.00 ATOM 839 CD2 LEU A 109 27.189 42.323 28.333 1.00 0.00 ATOM 840 O LEU A 109 30.275 46.209 28.764 1.00 0.00 ATOM 841 C LEU A 109 30.906 45.303 28.232 1.00 0.00 ATOM 842 N GLY A 110 31.755 45.472 27.225 1.00 0.00 ATOM 843 CA GLY A 110 32.085 46.828 26.766 1.00 0.00 ATOM 844 O GLY A 110 32.389 45.948 24.590 1.00 0.00 ATOM 845 C GLY A 110 32.463 46.934 25.296 1.00 0.00 ATOM 846 N ASN A 111 32.770 48.152 24.876 1.00 0.00 ATOM 847 CA ASN A 111 33.192 48.431 23.496 1.00 0.00 ATOM 848 CB ASN A 111 32.293 49.460 22.838 1.00 0.00 ATOM 849 CG ASN A 111 32.486 49.571 21.351 1.00 0.00 ATOM 850 ND2 ASN A 111 32.971 50.709 20.928 1.00 0.00 ATOM 851 OD1 ASN A 111 32.269 48.610 20.603 1.00 0.00 ATOM 852 O ASN A 111 35.113 49.464 22.447 1.00 0.00 ATOM 853 C ASN A 111 34.672 48.900 23.439 1.00 0.00 ATOM 854 N GLU A 112 35.457 48.614 24.498 1.00 0.00 ATOM 855 CA GLU A 112 36.928 48.851 24.477 1.00 0.00 ATOM 856 CB GLU A 112 37.537 48.562 25.850 1.00 0.00 ATOM 857 CG GLU A 112 37.348 49.678 26.869 1.00 0.00 ATOM 858 CD GLU A 112 37.997 50.953 26.409 1.00 0.00 ATOM 859 OE1 GLU A 112 39.176 50.937 26.147 1.00 0.00 ATOM 860 OE2 GLU A 112 37.294 51.917 26.210 1.00 0.00 ATOM 861 O GLU A 112 36.929 46.949 23.042 1.00 0.00 ATOM 862 C GLU A 112 37.534 47.961 23.385 1.00 0.00 ATOM 863 N ARG A 113 38.768 48.256 23.012 1.00 0.00 ATOM 864 CA ARG A 113 39.568 47.455 22.072 1.00 0.00 ATOM 865 CB ARG A 113 41.046 47.811 22.128 1.00 0.00 ATOM 866 CG ARG A 113 41.925 47.055 21.145 1.00 0.00 ATOM 867 CD ARG A 113 43.347 47.482 21.140 1.00 0.00 ATOM 868 NE ARG A 113 44.206 46.706 20.261 1.00 0.00 ATOM 869 CZ ARG A 113 45.493 47.003 19.991 1.00 0.00 ATOM 870 NH1 ARG A 113 46.061 48.075 20.496 1.00 0.00 ATOM 871 NH2 ARG A 113 46.162 46.200 19.183 1.00 0.00 ATOM 872 O ARG A 113 39.050 45.266 21.284 1.00 0.00 ATOM 873 C ARG A 113 39.373 45.951 22.254 1.00 0.00 ATOM 874 N GLU A 114 39.449 45.454 23.491 1.00 0.00 ATOM 875 CA GLU A 114 39.249 44.006 23.656 1.00 0.00 ATOM 876 CB GLU A 114 40.539 43.338 24.137 1.00 0.00 ATOM 877 CG GLU A 114 41.705 43.449 23.165 1.00 0.00 ATOM 878 CD GLU A 114 42.935 42.780 23.711 1.00 0.00 ATOM 879 OE1 GLU A 114 42.901 42.339 24.834 1.00 0.00 ATOM 880 OE2 GLU A 114 43.872 42.607 22.968 1.00 0.00 ATOM 881 O GLU A 114 37.995 42.522 25.137 1.00 0.00 ATOM 882 C GLU A 114 38.117 43.639 24.624 1.00 0.00 ATOM 883 N GLY A 115 37.116 44.517 24.584 1.00 0.00 ATOM 884 CA GLY A 115 35.832 44.303 25.265 1.00 0.00 ATOM 885 O GLY A 115 35.179 46.380 26.296 1.00 0.00 ATOM 886 C GLY A 115 35.723 45.287 26.412 1.00 0.00 ATOM 887 N ILE A 116 36.261 44.828 27.522 1.00 0.00 ATOM 888 CA ILE A 116 36.376 45.675 28.703 1.00 0.00 ATOM 889 CB ILE A 116 36.116 44.849 29.967 1.00 0.00 ATOM 890 CG1 ILE A 116 37.265 43.862 30.203 1.00 0.00 ATOM 891 CG2 ILE A 116 34.760 44.138 29.848 1.00 0.00 ATOM 892 CD1 ILE A 116 37.268 43.502 31.668 1.00 0.00 ATOM 893 O ILE A 116 38.661 45.863 27.975 1.00 0.00 ATOM 894 C ILE A 116 37.779 46.315 28.699 1.00 0.00 ATOM 895 N PRO A 117 37.980 47.408 29.436 1.00 0.00 ATOM 896 CA PRO A 117 39.295 48.018 29.553 1.00 0.00 ATOM 897 CB PRO A 117 39.025 49.379 30.170 1.00 0.00 ATOM 898 CG PRO A 117 37.795 49.157 31.028 1.00 0.00 ATOM 899 CD PRO A 117 36.986 48.186 30.180 1.00 0.00 ATOM 900 O PRO A 117 39.798 46.356 31.243 1.00 0.00 ATOM 901 C PRO A 117 40.231 47.135 30.380 1.00 0.00 ATOM 902 N ALA A 118 41.506 47.382 30.166 1.00 0.00 ATOM 903 CA ALA A 118 42.589 46.687 30.891 1.00 0.00 ATOM 904 CB ALA A 118 43.949 47.131 30.332 1.00 0.00 ATOM 905 O ALA A 118 42.681 45.941 33.180 1.00 0.00 ATOM 906 C ALA A 118 42.528 46.891 32.406 1.00 0.00 ATOM 907 N ASN A 119 42.050 48.063 32.809 1.00 0.00 ATOM 908 CA ASN A 119 41.822 48.372 34.242 1.00 0.00 ATOM 909 CB ASN A 119 41.360 49.805 34.433 1.00 0.00 ATOM 910 CG ASN A 119 42.447 50.823 34.225 1.00 0.00 ATOM 911 ND2 ASN A 119 42.039 52.057 34.063 1.00 0.00 ATOM 912 OD1 ASN A 119 43.641 50.509 34.282 1.00 0.00 ATOM 913 O ASN A 119 41.062 46.901 35.972 1.00 0.00 ATOM 914 C ASN A 119 40.823 47.430 34.895 1.00 0.00 ATOM 915 N LEU A 120 39.735 47.219 34.163 1.00 0.00 ATOM 916 CA LEU A 120 38.659 46.309 34.593 1.00 0.00 ATOM 917 CB LEU A 120 37.425 46.487 33.702 1.00 0.00 ATOM 918 CG LEU A 120 36.340 47.414 34.266 1.00 0.00 ATOM 919 CD1 LEU A 120 36.900 48.818 34.459 1.00 0.00 ATOM 920 CD2 LEU A 120 35.147 47.436 33.322 1.00 0.00 ATOM 921 O LEU A 120 38.921 44.162 35.627 1.00 0.00 ATOM 922 C LEU A 120 39.056 44.825 34.597 1.00 0.00 ATOM 923 N ILE A 121 39.713 44.379 33.517 1.00 0.00 ATOM 924 CA ILE A 121 40.170 42.980 33.386 1.00 0.00 ATOM 925 CB ILE A 121 40.886 42.744 32.043 1.00 0.00 ATOM 926 CG1 ILE A 121 39.921 42.974 30.877 1.00 0.00 ATOM 927 CG2 ILE A 121 41.465 41.338 31.990 1.00 0.00 ATOM 928 CD1 ILE A 121 40.611 43.182 29.547 1.00 0.00 ATOM 929 O ILE A 121 41.133 41.394 34.935 1.00 0.00 ATOM 930 C ILE A 121 41.118 42.540 34.508 1.00 0.00 ATOM 931 N GLN A 122 41.899 43.512 34.972 1.00 0.00 ATOM 932 CA GLN A 122 42.892 43.301 36.038 1.00 0.00 ATOM 933 CB GLN A 122 43.611 44.610 36.370 1.00 0.00 ATOM 934 CG GLN A 122 44.756 44.460 37.357 1.00 0.00 ATOM 935 CD GLN A 122 45.884 43.609 36.806 1.00 0.00 ATOM 936 OE1 GLN A 122 46.314 43.786 35.662 1.00 0.00 ATOM 937 NE2 GLN A 122 46.372 42.677 37.618 1.00 0.00 ATOM 938 O GLN A 122 42.878 41.858 37.938 1.00 0.00 ATOM 939 C GLN A 122 42.292 42.739 37.319 1.00 0.00 ATOM 940 N GLN A 123 41.052 43.141 37.592 1.00 0.00 ATOM 941 CA GLN A 123 40.346 42.729 38.813 1.00 0.00 ATOM 942 CB GLN A 123 39.560 43.904 39.400 1.00 0.00 ATOM 943 CG GLN A 123 40.419 45.095 39.792 1.00 0.00 ATOM 944 CD GLN A 123 41.445 44.743 40.853 1.00 0.00 ATOM 945 OE1 GLN A 123 41.117 44.136 41.875 1.00 0.00 ATOM 946 NE2 GLN A 123 42.694 45.127 40.616 1.00 0.00 ATOM 947 O GLN A 123 38.759 41.111 39.596 1.00 0.00 ATOM 948 C GLN A 123 39.373 41.564 38.637 1.00 0.00 ATOM 949 N LEU A 124 39.217 41.123 37.382 1.00 0.00 ATOM 950 CA LEU A 124 38.238 40.084 37.051 1.00 0.00 ATOM 951 CB LEU A 124 38.114 39.898 35.542 1.00 0.00 ATOM 952 CG LEU A 124 37.724 41.151 34.781 1.00 0.00 ATOM 953 CD1 LEU A 124 37.456 40.655 33.393 1.00 0.00 ATOM 954 CD2 LEU A 124 36.422 41.807 35.189 1.00 0.00 ATOM 955 O LEU A 124 39.778 38.369 37.753 1.00 0.00 ATOM 956 C LEU A 124 38.606 38.732 37.652 1.00 0.00 ATOM 957 N ASP A 125 37.556 37.990 37.950 1.00 0.00 ATOM 958 CA ASP A 125 37.718 36.606 38.418 1.00 0.00 ATOM 959 CB ASP A 125 36.589 36.229 39.379 1.00 0.00 ATOM 960 CG ASP A 125 36.579 37.024 40.678 1.00 0.00 ATOM 961 OD1 ASP A 125 37.582 37.039 41.352 1.00 0.00 ATOM 962 OD2 ASP A 125 35.628 37.734 40.909 1.00 0.00 ATOM 963 O ASP A 125 38.415 34.592 37.283 1.00 0.00 ATOM 964 C ASP A 125 37.756 35.625 37.239 1.00 0.00 ATOM 965 N VAL A 126 37.015 35.982 36.194 1.00 0.00 ATOM 966 CA VAL A 126 36.956 35.218 34.931 1.00 0.00 ATOM 967 CB VAL A 126 35.627 34.436 34.873 1.00 0.00 ATOM 968 CG1 VAL A 126 35.495 33.598 33.598 1.00 0.00 ATOM 969 CG2 VAL A 126 35.548 33.455 36.044 1.00 0.00 ATOM 970 O VAL A 126 36.434 37.180 33.615 1.00 0.00 ATOM 971 C VAL A 126 37.115 36.166 33.735 1.00 0.00 ATOM 972 N CYS A 127 37.905 35.663 32.796 1.00 0.00 ATOM 973 CA CYS A 127 38.171 36.320 31.508 1.00 0.00 ATOM 974 CB CYS A 127 39.665 36.584 31.343 1.00 0.00 ATOM 975 SG CYS A 127 40.228 37.490 32.831 1.00 0.00 ATOM 976 O CYS A 127 38.115 34.276 30.226 1.00 0.00 ATOM 977 C CYS A 127 37.679 35.410 30.388 1.00 0.00 ATOM 978 N VAL A 128 36.695 35.938 29.678 1.00 0.00 ATOM 979 CA VAL A 128 35.907 35.128 28.737 1.00 0.00 ATOM 980 CB VAL A 128 34.421 35.083 29.138 1.00 0.00 ATOM 981 CG1 VAL A 128 34.238 34.277 30.417 1.00 0.00 ATOM 982 CG2 VAL A 128 33.873 36.491 29.316 1.00 0.00 ATOM 983 O VAL A 128 36.096 36.735 26.961 1.00 0.00 ATOM 984 C VAL A 128 35.933 35.555 27.272 1.00 0.00 ATOM 985 N GLU A 129 35.706 34.575 26.405 1.00 0.00 ATOM 986 CA GLU A 129 35.581 34.771 24.957 1.00 0.00 ATOM 987 CB GLU A 129 36.903 34.454 24.257 1.00 0.00 ATOM 988 CG GLU A 129 37.336 32.998 24.360 1.00 0.00 ATOM 989 CD GLU A 129 38.674 32.778 23.710 1.00 0.00 ATOM 990 OE1 GLU A 129 39.246 33.730 23.234 1.00 0.00 ATOM 991 OE2 GLU A 129 39.177 31.683 23.789 1.00 0.00 ATOM 992 O GLU A 129 34.150 32.826 25.004 1.00 0.00 ATOM 993 C GLU A 129 34.445 33.882 24.453 1.00 0.00 ATOM 994 N ILE A 130 33.863 34.361 23.382 1.00 0.00 ATOM 995 CA ILE A 130 32.954 33.586 22.541 1.00 0.00 ATOM 996 CB ILE A 130 31.957 34.545 21.883 1.00 0.00 ATOM 997 CG1 ILE A 130 31.285 35.443 22.918 1.00 0.00 ATOM 998 CG2 ILE A 130 30.976 33.704 21.085 1.00 0.00 ATOM 999 CD1 ILE A 130 30.225 36.426 22.437 1.00 0.00 ATOM 1000 O ILE A 130 34.408 33.721 20.676 1.00 0.00 ATOM 1001 C ILE A 130 33.801 32.953 21.430 1.00 0.00 ATOM 1002 N PRO A 131 33.582 31.668 21.148 1.00 0.00 ATOM 1003 CA PRO A 131 34.277 30.990 20.036 1.00 0.00 ATOM 1004 CB PRO A 131 33.807 29.536 20.095 1.00 0.00 ATOM 1005 CG PRO A 131 33.521 29.338 21.582 1.00 0.00 ATOM 1006 CD PRO A 131 32.889 30.672 22.002 1.00 0.00 ATOM 1007 O PRO A 131 32.774 32.152 18.530 1.00 0.00 ATOM 1008 C PRO A 131 33.881 31.664 18.712 1.00 0.00 ATOM 1009 N GLN A 132 34.917 31.851 17.895 1.00 0.00 ATOM 1010 CA GLN A 132 34.773 32.471 16.570 1.00 0.00 ATOM 1011 CB GLN A 132 35.546 33.791 16.510 1.00 0.00 ATOM 1012 CG GLN A 132 37.054 33.634 16.598 1.00 0.00 ATOM 1013 CD GLN A 132 37.780 34.965 16.535 1.00 0.00 ATOM 1014 OE1 GLN A 132 37.783 35.731 17.503 1.00 0.00 ATOM 1015 NE2 GLN A 132 38.395 35.249 15.394 1.00 0.00 ATOM 1016 O GLN A 132 36.062 30.583 15.832 1.00 0.00 ATOM 1017 C GLN A 132 35.283 31.481 15.520 1.00 0.00 ATOM 1018 N GLN A 133 34.732 31.547 14.323 1.00 0.00 ATOM 1019 CA GLN A 133 35.119 30.646 13.226 1.00 0.00 ATOM 1020 CB GLN A 133 33.959 29.716 12.861 1.00 0.00 ATOM 1021 CG GLN A 133 33.352 28.983 14.043 1.00 0.00 ATOM 1022 CD GLN A 133 34.311 27.977 14.654 1.00 0.00 ATOM 1023 OE1 GLN A 133 35.068 27.309 13.944 1.00 0.00 ATOM 1024 NE2 GLN A 133 34.283 27.862 15.977 1.00 0.00 ATOM 1025 O GLN A 133 36.286 30.880 11.166 1.00 0.00 ATOM 1026 C GLN A 133 35.562 31.407 11.978 1.00 0.00 ATOM 1027 N GLY A 134 35.034 32.620 11.805 1.00 0.00 ATOM 1028 CA GLY A 134 35.307 33.387 10.584 1.00 0.00 ATOM 1029 O GLY A 134 37.200 34.441 11.706 1.00 0.00 ATOM 1030 C GLY A 134 36.432 34.422 10.746 1.00 0.00 ATOM 1031 N ILE A 135 36.443 35.313 9.763 1.00 0.00 ATOM 1032 CA ILE A 135 37.432 36.405 9.664 1.00 0.00 ATOM 1033 CB ILE A 135 37.267 37.200 8.355 1.00 0.00 ATOM 1034 CG1 ILE A 135 37.549 36.303 7.147 1.00 0.00 ATOM 1035 CG2 ILE A 135 38.187 38.411 8.349 1.00 0.00 ATOM 1036 CD1 ILE A 135 38.952 35.742 7.116 1.00 0.00 ATOM 1037 O ILE A 135 38.335 37.961 11.282 1.00 0.00 ATOM 1038 C ILE A 135 37.338 37.381 10.844 1.00 0.00 ATOM 1039 N ILE A 136 36.101 37.668 11.239 1.00 0.00 ATOM 1040 CA ILE A 136 35.852 38.613 12.338 1.00 0.00 ATOM 1041 CB ILE A 136 34.328 38.721 12.508 1.00 0.00 ATOM 1042 CG1 ILE A 136 33.679 39.291 11.256 1.00 0.00 ATOM 1043 CG2 ILE A 136 34.040 39.625 13.681 1.00 0.00 ATOM 1044 CD1 ILE A 136 32.167 39.474 11.242 1.00 0.00 ATOM 1045 O ILE A 136 36.466 36.983 14.034 1.00 0.00 ATOM 1046 C ILE A 136 36.572 38.132 13.614 1.00 0.00 ATOM 1047 N ARG A 137 37.198 39.059 14.294 1.00 0.00 ATOM 1048 CA ARG A 137 37.862 38.734 15.575 1.00 0.00 ATOM 1049 CB ARG A 137 39.088 39.602 15.821 1.00 0.00 ATOM 1050 CG ARG A 137 40.215 39.418 14.817 1.00 0.00 ATOM 1051 CD ARG A 137 41.426 40.229 15.102 1.00 0.00 ATOM 1052 NE ARG A 137 42.118 39.868 16.328 1.00 0.00 ATOM 1053 CZ ARG A 137 43.173 40.535 16.837 1.00 0.00 ATOM 1054 NH1 ARG A 137 43.685 41.570 16.210 1.00 0.00 ATOM 1055 NH2 ARG A 137 43.696 40.105 17.971 1.00 0.00 ATOM 1056 O ARG A 137 37.022 38.089 17.743 1.00 0.00 ATOM 1057 C ARG A 137 36.898 38.801 16.768 1.00 0.00 ATOM 1058 N SER A 138 35.839 39.582 16.620 1.00 0.00 ATOM 1059 CA SER A 138 34.861 39.717 17.708 1.00 0.00 ATOM 1060 CB SER A 138 35.234 40.910 18.600 1.00 0.00 ATOM 1061 OG SER A 138 35.171 42.146 17.893 1.00 0.00 ATOM 1062 O SER A 138 33.219 40.380 16.112 1.00 0.00 ATOM 1063 C SER A 138 33.442 39.873 17.196 1.00 0.00 ATOM 1064 N LEU A 139 32.470 39.785 18.069 1.00 0.00 ATOM 1065 CA LEU A 139 31.079 40.054 17.661 1.00 0.00 ATOM 1066 CB LEU A 139 30.134 39.022 18.290 1.00 0.00 ATOM 1067 CG LEU A 139 30.296 37.587 17.772 1.00 0.00 ATOM 1068 CD1 LEU A 139 31.687 37.066 18.107 1.00 0.00 ATOM 1069 CD2 LEU A 139 29.225 36.700 18.386 1.00 0.00 ATOM 1070 O LEU A 139 31.441 42.134 18.755 1.00 0.00 ATOM 1071 C LEU A 139 30.689 41.453 18.054 1.00 0.00 ATOM 1072 N ASN A 140 29.624 41.974 17.465 1.00 0.00 ATOM 1073 CA ASN A 140 29.133 43.245 18.036 1.00 0.00 ATOM 1074 CB ASN A 140 27.922 43.763 17.281 1.00 0.00 ATOM 1075 CG ASN A 140 28.264 44.469 15.999 1.00 0.00 ATOM 1076 ND2 ASN A 140 27.549 44.126 14.957 1.00 0.00 ATOM 1077 OD1 ASN A 140 29.115 45.365 15.968 1.00 0.00 ATOM 1078 O ASN A 140 28.534 41.933 19.997 1.00 0.00 ATOM 1079 C ASN A 140 28.821 43.027 19.530 1.00 0.00 ATOM 1080 N VAL A 141 29.113 44.056 20.307 1.00 0.00 ATOM 1081 CA VAL A 141 28.916 43.993 21.764 1.00 0.00 ATOM 1082 CB VAL A 141 29.221 45.360 22.378 1.00 0.00 ATOM 1083 CG1 VAL A 141 28.939 45.378 23.873 1.00 0.00 ATOM 1084 CG2 VAL A 141 30.685 45.723 22.171 1.00 0.00 ATOM 1085 O VAL A 141 27.370 42.660 23.018 1.00 0.00 ATOM 1086 C VAL A 141 27.498 43.532 22.163 1.00 0.00 ATOM 1087 N HIS A 142 26.467 44.141 21.573 1.00 0.00 ATOM 1088 CA HIS A 142 25.068 43.780 21.892 1.00 0.00 ATOM 1089 CB HIS A 142 24.091 44.603 21.047 1.00 0.00 ATOM 1090 CG HIS A 142 22.657 44.221 21.243 1.00 0.00 ATOM 1091 CD2 HIS A 142 21.986 43.809 22.344 1.00 0.00 ATOM 1092 ND1 HIS A 142 21.734 44.241 20.216 1.00 0.00 ATOM 1093 CE1 HIS A 142 20.558 43.857 20.679 1.00 0.00 ATOM 1094 NE2 HIS A 142 20.682 43.590 21.967 1.00 0.00 ATOM 1095 O HIS A 142 24.269 41.609 22.570 1.00 0.00 ATOM 1096 C HIS A 142 24.781 42.280 21.684 1.00 0.00 ATOM 1097 N VAL A 143 25.241 41.789 20.526 1.00 0.00 ATOM 1098 CA VAL A 143 25.208 40.352 20.128 1.00 0.00 ATOM 1099 CB VAL A 143 26.237 39.956 19.041 1.00 0.00 ATOM 1100 CG1 VAL A 143 26.061 38.581 18.432 1.00 0.00 ATOM 1101 CG2 VAL A 143 26.555 40.973 17.981 1.00 0.00 ATOM 1102 O VAL A 143 25.228 38.500 21.669 1.00 0.00 ATOM 1103 C VAL A 143 25.777 39.530 21.287 1.00 0.00 ATOM 1104 N SER A 144 27.031 39.875 21.570 1.00 0.00 ATOM 1105 CA SER A 144 27.881 39.117 22.509 1.00 0.00 ATOM 1106 CB SER A 144 29.265 39.758 22.602 1.00 0.00 ATOM 1107 OG SER A 144 29.975 39.574 21.378 1.00 0.00 ATOM 1108 O SER A 144 27.178 38.061 24.531 1.00 0.00 ATOM 1109 C SER A 144 27.245 39.108 23.891 1.00 0.00 ATOM 1110 N GLY A 145 26.670 40.249 24.259 1.00 0.00 ATOM 1111 CA GLY A 145 25.954 40.415 25.526 1.00 0.00 ATOM 1112 O GLY A 145 24.671 38.696 26.580 1.00 0.00 ATOM 1113 C GLY A 145 24.778 39.457 25.629 1.00 0.00 ATOM 1114 N ALA A 146 23.998 39.401 24.562 1.00 0.00 ATOM 1115 CA ALA A 146 22.834 38.517 24.481 1.00 0.00 ATOM 1116 CB ALA A 146 22.097 38.846 23.199 1.00 0.00 ATOM 1117 O ALA A 146 22.560 36.255 25.220 1.00 0.00 ATOM 1118 C ALA A 146 23.188 37.020 24.488 1.00 0.00 ATOM 1119 N LEU A 147 24.240 36.669 23.769 1.00 0.00 ATOM 1120 CA LEU A 147 24.706 35.279 23.688 1.00 0.00 ATOM 1121 CB LEU A 147 25.847 35.161 22.668 1.00 0.00 ATOM 1122 CG LEU A 147 25.412 35.182 21.198 1.00 0.00 ATOM 1123 CD1 LEU A 147 26.636 35.239 20.293 1.00 0.00 ATOM 1124 CD2 LEU A 147 24.575 33.947 20.897 1.00 0.00 ATOM 1125 O LEU A 147 24.671 33.708 25.498 1.00 0.00 ATOM 1126 C LEU A 147 25.170 34.732 25.051 1.00 0.00 ATOM 1127 N LEU A 148 25.827 35.624 25.774 1.00 0.00 ATOM 1128 CA LEU A 148 26.388 35.279 27.083 1.00 0.00 ATOM 1129 CB LEU A 148 27.447 36.310 27.495 1.00 0.00 ATOM 1130 CG LEU A 148 28.891 35.944 27.130 1.00 0.00 ATOM 1131 CD1 LEU A 148 29.062 35.938 25.617 1.00 0.00 ATOM 1132 CD2 LEU A 148 29.846 36.935 27.777 1.00 0.00 ATOM 1133 O LEU A 148 25.203 34.258 28.929 1.00 0.00 ATOM 1134 C LEU A 148 25.292 35.189 28.135 1.00 0.00 ATOM 1135 N ILE A 149 24.422 36.195 28.067 1.00 0.00 ATOM 1136 CA ILE A 149 23.275 36.271 28.995 1.00 0.00 ATOM 1137 CB ILE A 149 22.519 37.618 28.900 1.00 0.00 ATOM 1138 CG1 ILE A 149 23.424 38.795 29.250 1.00 0.00 ATOM 1139 CG2 ILE A 149 21.343 37.630 29.871 1.00 0.00 ATOM 1140 CD1 ILE A 149 22.811 40.175 28.943 1.00 0.00 ATOM 1141 O ILE A 149 21.929 34.473 29.783 1.00 0.00 ATOM 1142 C ILE A 149 22.348 35.062 28.805 1.00 0.00 ATOM 1143 N TRP A 150 22.089 34.670 27.561 1.00 0.00 ATOM 1144 CA TRP A 150 21.227 33.501 27.254 1.00 0.00 ATOM 1145 CB TRP A 150 21.027 33.368 25.743 1.00 0.00 ATOM 1146 CG TRP A 150 20.383 32.078 25.336 1.00 0.00 ATOM 1147 CD1 TRP A 150 20.887 31.151 24.473 1.00 0.00 ATOM 1148 CD2 TRP A 150 19.117 31.571 25.775 1.00 0.00 ATOM 1149 CE2 TRP A 150 18.918 30.332 25.137 1.00 0.00 ATOM 1150 CE3 TRP A 150 18.130 32.045 26.649 1.00 0.00 ATOM 1151 NE1 TRP A 150 20.014 30.098 24.345 1.00 0.00 ATOM 1152 CZ2 TRP A 150 17.783 29.565 25.340 1.00 0.00 ATOM 1153 CZ3 TRP A 150 16.991 31.275 26.851 1.00 0.00 ATOM 1154 CH2 TRP A 150 16.824 30.070 26.217 1.00 0.00 ATOM 1155 O TRP A 150 21.049 31.342 28.301 1.00 0.00 ATOM 1156 C TRP A 150 21.797 32.181 27.809 1.00 0.00 ATOM 1157 N GLU A 151 23.119 32.049 27.772 1.00 0.00 ATOM 1158 CA GLU A 151 23.811 30.907 28.407 1.00 0.00 ATOM 1159 CB GLU A 151 25.316 30.972 28.134 1.00 0.00 ATOM 1160 CG GLU A 151 26.139 29.947 28.903 1.00 0.00 ATOM 1161 CD GLU A 151 25.828 28.548 28.451 1.00 0.00 ATOM 1162 OE1 GLU A 151 25.170 28.398 27.451 1.00 0.00 ATOM 1163 OE2 GLU A 151 26.343 27.627 29.042 1.00 0.00 ATOM 1164 O GLU A 151 23.114 29.867 30.476 1.00 0.00 ATOM 1165 C GLU A 151 23.556 30.868 29.916 1.00 0.00 ATOM 1166 N TYR A 152 23.604 32.072 30.493 1.00 0.00 ATOM 1167 CA TYR A 152 23.227 32.284 31.898 1.00 0.00 ATOM 1168 CB TYR A 152 23.485 33.736 32.250 1.00 0.00 ATOM 1169 CG TYR A 152 23.023 34.052 33.669 1.00 0.00 ATOM 1170 CD1 TYR A 152 23.896 33.819 34.673 1.00 0.00 ATOM 1171 CD2 TYR A 152 21.808 34.507 34.090 1.00 0.00 ATOM 1172 CE1 TYR A 152 23.636 33.974 36.010 1.00 0.00 ATOM 1173 CE2 TYR A 152 21.524 34.712 35.415 1.00 0.00 ATOM 1174 CZ TYR A 152 22.428 34.438 36.418 1.00 0.00 ATOM 1175 OH TYR A 152 22.232 34.767 37.717 1.00 0.00 ATOM 1176 O TYR A 152 21.410 31.322 33.155 1.00 0.00 ATOM 1177 C TYR A 152 21.748 31.939 32.159 1.00 0.00 ATOM 1178 N THR A 153 20.901 32.309 31.205 1.00 0.00 ATOM 1179 CA THR A 153 19.444 32.082 31.283 1.00 0.00 ATOM 1180 CB THR A 153 18.718 32.750 30.115 1.00 0.00 ATOM 1181 CG2 THR A 153 17.200 32.575 30.144 1.00 0.00 ATOM 1182 OG1 THR A 153 19.091 34.118 30.167 1.00 0.00 ATOM 1183 O THR A 153 18.362 30.092 32.059 1.00 0.00 ATOM 1184 C THR A 153 19.153 30.588 31.273 1.00 0.00 ATOM 1185 N ARG A 154 19.811 29.888 30.350 1.00 0.00 ATOM 1186 CA ARG A 154 19.643 28.437 30.223 1.00 0.00 ATOM 1187 CB ARG A 154 20.418 27.870 29.043 1.00 0.00 ATOM 1188 CG ARG A 154 20.201 26.387 28.788 1.00 0.00 ATOM 1189 CD ARG A 154 20.982 25.840 27.650 1.00 0.00 ATOM 1190 NE ARG A 154 20.644 26.411 26.356 1.00 0.00 ATOM 1191 CZ ARG A 154 21.433 26.356 25.265 1.00 0.00 ATOM 1192 NH1 ARG A 154 22.620 25.790 25.316 1.00 0.00 ATOM 1193 NH2 ARG A 154 20.993 26.906 24.148 1.00 0.00 ATOM 1194 O ARG A 154 19.222 26.901 32.016 1.00 0.00 ATOM 1195 C ARG A 154 20.000 27.709 31.520 1.00 0.00 ATOM 1196 N GLN A 155 21.141 28.100 32.085 1.00 0.00 ATOM 1197 CA GLN A 155 21.600 27.517 33.349 1.00 0.00 ATOM 1198 CB GLN A 155 22.971 28.079 33.731 1.00 0.00 ATOM 1199 CG GLN A 155 24.102 27.642 32.815 1.00 0.00 ATOM 1200 CD GLN A 155 24.311 26.138 32.831 1.00 0.00 ATOM 1201 OE1 GLN A 155 24.356 25.516 33.897 1.00 0.00 ATOM 1202 NE2 GLN A 155 24.443 25.548 31.650 1.00 0.00 ATOM 1203 O GLN A 155 20.175 26.813 35.127 1.00 0.00 ATOM 1204 C GLN A 155 20.613 27.769 34.501 1.00 0.00 ATOM 1205 N GLN A 156 20.230 29.028 34.673 1.00 0.00 ATOM 1206 CA GLN A 156 19.282 29.405 35.744 1.00 0.00 ATOM 1207 CB GLN A 156 19.133 30.926 35.819 1.00 0.00 ATOM 1208 CG GLN A 156 18.456 31.425 37.084 1.00 0.00 ATOM 1209 CD GLN A 156 19.334 31.265 38.311 1.00 0.00 ATOM 1210 OE1 GLN A 156 20.524 31.592 38.287 1.00 0.00 ATOM 1211 NE2 GLN A 156 18.752 30.758 39.391 1.00 0.00 ATOM 1212 O GLN A 156 17.140 28.485 36.444 1.00 0.00 ATOM 1213 C GLN A 156 17.904 28.763 35.524 1.00 0.00 ATOM 1214 N LEU A 157 17.471 28.681 34.269 1.00 0.00 ATOM 1215 CA LEU A 157 16.192 28.014 33.924 1.00 0.00 ATOM 1216 CB LEU A 157 15.924 28.128 32.418 1.00 0.00 ATOM 1217 CG LEU A 157 14.619 27.479 31.936 1.00 0.00 ATOM 1218 CD1 LEU A 157 13.426 28.149 32.603 1.00 0.00 ATOM 1219 CD2 LEU A 157 14.525 27.592 30.422 1.00 0.00 ATOM 1220 O LEU A 157 15.168 26.033 34.833 1.00 0.00 ATOM 1221 C LEU A 157 16.176 26.544 34.345 1.00 0.00 ATOM 1222 N LEU A 158 17.302 25.889 34.076 1.00 0.00 ATOM 1223 CA LEU A 158 17.508 24.471 34.436 1.00 0.00 ATOM 1224 CB LEU A 158 18.851 23.974 33.887 1.00 0.00 ATOM 1225 CG LEU A 158 18.928 23.856 32.359 1.00 0.00 ATOM 1226 CD1 LEU A 158 20.351 23.521 31.933 1.00 0.00 ATOM 1227 CD2 LEU A 158 17.956 22.787 31.882 1.00 0.00 ATOM 1228 O LEU A 158 16.868 23.214 36.355 1.00 0.00 ATOM 1229 C LEU A 158 17.455 24.217 35.946 1.00 0.00 ATOM 1230 N SER A 159 17.914 25.190 36.736 1.00 0.00 ATOM 1231 CA SER A 159 17.975 25.102 38.204 1.00 0.00 ATOM 1232 CB SER A 159 18.883 23.962 38.622 1.00 0.00 ATOM 1233 OG SER A 159 19.023 23.882 40.014 1.00 0.00 ATOM 1234 O SER A 159 18.683 27.382 38.109 1.00 0.00 ATOM 1235 C SER A 159 18.455 26.411 38.855 1.00 0.00 ENDMDL EXPDTA 2ha8A MODEL 2 REMARK 44 REMARK 44 model 2 is called 2ha8A ATOM 1 N LEU 1 6.514 27.336 40.699 1.00 0.00 ATOM 2 CA LEU 1 5.913 28.349 41.611 1.00 0.00 ATOM 3 CB LEU 1 4.839 27.718 42.501 1.00 0.00 ATOM 4 CG LEU 1 3.351 27.860 42.135 1.00 0.00 ATOM 5 CD1 LEU 1 3.099 28.332 40.698 1.00 0.00 ATOM 6 CD2 LEU 1 2.630 26.539 42.416 1.00 0.00 ATOM 7 O LEU 1 7.739 28.377 43.180 1.00 0.00 ATOM 8 C LEU 1 6.976 29.032 42.456 1.00 0.00 ATOM 9 N GLY 2 7.008 30.356 42.356 1.00 0.00 ATOM 10 CA GLY 2 8.009 31.167 43.033 1.00 0.00 ATOM 11 O GLY 2 9.676 30.876 41.339 1.00 0.00 ATOM 12 C GLY 2 9.065 31.666 42.064 1.00 0.00 ATOM 13 N LYS 3 9.271 32.976 42.054 1.00 0.00 ATOM 14 CA LYS 3 10.291 33.587 41.221 1.00 0.00 ATOM 15 CB LYS 3 9.735 34.841 40.556 1.00 0.00 ATOM 16 CG LYS 3 10.737 35.568 39.649 1.00 0.00 ATOM 17 CD LYS 3 10.030 36.519 38.689 1.00 0.00 ATOM 18 CE LYS 3 9.637 37.825 39.356 1.00 0.00 ATOM 19 NZ LYS 3 8.739 38.647 38.491 1.00 0.00 ATOM 20 O LYS 3 11.392 34.718 43.018 1.00 0.00 ATOM 21 C LYS 3 11.508 33.945 42.071 1.00 0.00 ATOM 22 N SER 4 12.665 33.401 41.706 1.00 0.00 ATOM 23 CA SER 4 13.906 33.687 42.421 1.00 0.00 ATOM 24 CB SER 4 14.979 32.663 42.070 1.00 0.00 ATOM 25 OG SER 4 14.569 31.372 42.489 1.00 0.00 ATOM 26 O SER 4 14.283 35.619 41.026 1.00 0.00 ATOM 27 C SER 4 14.421 35.091 42.138 1.00 0.00 ATOM 28 N ILE 5 15.020 35.698 43.153 1.00 0.00 ATOM 29 CA ILE 5 15.702 36.969 42.984 1.00 0.00 ATOM 30 CB ILE 5 16.284 37.451 44.340 1.00 0.00 ATOM 31 CG1 ILE 5 16.729 38.920 44.263 1.00 0.00 ATOM 32 CG2 ILE 5 17.380 36.494 44.852 1.00 0.00 ATOM 33 CD1 ILE 5 17.183 39.523 45.594 1.00 0.00 ATOM 34 O ILE 5 17.474 35.738 41.903 1.00 0.00 ATOM 35 C ILE 5 16.813 36.777 41.929 1.00 0.00 ATOM 36 N SER 6 17.009 37.800 41.107 1.00 0.00 ATOM 37 CA SER 6 18.072 37.814 40.115 1.00 0.00 ATOM 38 CB SER 6 17.725 38.847 39.038 1.00 0.00 ATOM 39 OG SER 6 16.386 38.680 38.577 1.00 0.00 ATOM 40 O SER 6 19.467 39.129 41.548 1.00 0.00 ATOM 41 C SER 6 19.403 38.169 40.776 1.00 0.00 ATOM 42 N ARG 7 20.451 37.391 40.509 1.00 0.00 ATOM 43 CA ARG 7 21.769 37.749 40.991 1.00 0.00 ATOM 44 CB ARG 7 22.508 36.515 41.541 1.00 0.00 ATOM 45 CG ARG 7 21.853 35.837 42.806 1.00 0.00 ATOM 46 CD ARG 7 21.752 36.794 43.948 1.00 0.00 ATOM 47 NE ARG 7 21.057 36.229 45.118 1.00 0.00 ATOM 48 CZ ARG 7 20.766 36.932 46.211 1.00 0.00 ATOM 49 NH1 ARG 7 21.064 38.223 46.281 1.00 0.00 ATOM 50 NH2 ARG 7 20.136 36.339 47.223 1.00 0.00 ATOM 51 O ARG 7 23.359 39.365 40.106 1.00 0.00 ATOM 52 C ARG 7 22.519 38.498 39.840 1.00 0.00 ATOM 53 N LEU 8 22.179 38.202 38.580 1.00 0.00 ATOM 54 CA LEU 8 23.019 38.640 37.428 1.00 0.00 ATOM 55 CB LEU 8 22.451 38.096 36.111 1.00 0.00 ATOM 56 CG LEU 8 23.254 38.418 34.844 1.00 0.00 ATOM 57 CD1 LEU 8 24.585 37.688 34.871 1.00 0.00 ATOM 58 CD2 LEU 8 22.468 38.065 33.579 1.00 0.00 ATOM 59 O LEU 8 22.221 40.903 37.278 1.00 0.00 ATOM 60 C LEU 8 23.192 40.161 37.322 1.00 0.00 ATOM 61 N ILE 9 24.443 40.620 37.238 1.00 0.00 ATOM 62 CA ILE 9 24.697 42.045 37.039 1.00 0.00 ATOM 63 CB ILE 9 25.600 42.656 38.151 1.00 0.00 ATOM 64 CG1 ILE 9 24.895 42.597 39.529 1.00 0.00 ATOM 65 CG2 ILE 9 26.015 44.079 37.800 1.00 0.00 ATOM 66 CD1 ILE 9 25.779 43.114 40.670 1.00 0.00 ATOM 67 O ILE 9 26.325 41.471 35.422 1.00 0.00 ATOM 68 C ILE 9 25.384 42.198 35.699 1.00 0.00 ATOM 69 N VAL 10 24.902 43.135 34.894 1.00 0.00 ATOM 70 CA VAL 10 25.536 43.431 33.615 1.00 0.00 ATOM 71 CB VAL 10 24.538 43.268 32.447 1.00 0.00 ATOM 72 CG1 VAL 10 25.232 43.607 31.116 1.00 0.00 ATOM 73 CG2 VAL 10 23.990 41.864 32.437 1.00 0.00 ATOM 74 O VAL 10 25.364 45.817 33.860 1.00 0.00 ATOM 75 C VAL 10 26.100 44.844 33.646 1.00 0.00 ATOM 76 N VAL 11 27.404 44.949 33.399 1.00 0.00 ATOM 77 CA VAL 11 28.069 46.235 33.423 1.00 0.00 ATOM 78 CB VAL 11 29.331 46.231 34.329 1.00 0.00 ATOM 79 CG1 VAL 11 30.019 47.574 34.269 1.00 0.00 ATOM 80 CG2 VAL 11 28.981 45.871 35.786 1.00 0.00 ATOM 81 O VAL 11 29.281 46.157 31.338 1.00 0.00 ATOM 82 C VAL 11 28.402 46.716 32.017 1.00 0.00 ATOM 83 N ALA 12 27.723 47.797 31.615 1.00 0.00 ATOM 84 CA ALA 12 27.884 48.383 30.296 1.00 0.00 ATOM 85 CB ALA 12 26.503 48.489 29.612 1.00 0.00 ATOM 86 O ALA 12 28.526 50.516 29.341 1.00 0.00 ATOM 87 C ALA 12 28.577 49.773 30.324 1.00 0.00 ATOM 88 N SER 13 29.237 50.116 31.435 1.00 0.00 ATOM 89 CA SER 13 29.871 51.446 31.573 1.00 0.00 ATOM 90 CB SER 13 30.534 51.579 32.940 1.00 0.00 ATOM 91 OG SER 13 29.565 51.434 33.959 1.00 0.00 ATOM 92 O SER 13 31.149 52.975 30.230 1.00 0.00 ATOM 93 C SER 13 30.890 51.785 30.497 1.00 0.00 ATOM 94 N LEU 14 31.495 50.757 29.902 1.00 0.00 ATOM 95 CA LEU 14 32.535 50.981 28.890 1.00 0.00 ATOM 96 CB LEU 14 33.558 49.837 28.878 1.00 0.00 ATOM 97 CG LEU 14 34.345 49.576 30.160 1.00 0.00 ATOM 98 CD1 LEU 14 35.167 48.310 30.029 1.00 0.00 ATOM 99 CD2 LEU 14 35.255 50.759 30.516 1.00 0.00 ATOM 100 O LEU 14 32.696 51.574 26.581 1.00 0.00 ATOM 101 C LEU 14 31.969 51.176 27.485 1.00 0.00 ATOM 102 N ILE 15 30.699 50.823 27.301 1.00 0.00 ATOM 103 CA ILE 15 30.032 50.888 25.998 1.00 0.00 ATOM 104 CB ILE 15 28.827 49.931 25.983 1.00 0.00 ATOM 105 CG1 ILE 15 29.327 48.478 26.115 1.00 0.00 ATOM 106 CG2 ILE 15 27.976 50.144 24.715 1.00 0.00 ATOM 107 CD1 ILE 15 28.186 47.451 26.300 1.00 0.00 ATOM 108 O ILE 15 28.996 52.982 26.548 1.00 0.00 ATOM 109 C ILE 15 29.589 52.337 25.694 1.00 0.00 ATOM 110 N ASP 16 29.868 52.808 24.478 1.00 0.00 ATOM 111 CA ASP 16 29.647 54.224 24.086 1.00 0.00 ATOM 112 CB ASP 16 30.779 54.705 23.167 1.00 0.00 ATOM 113 CG ASP 16 32.091 54.949 23.892 1.00 0.00 ATOM 114 OD1 ASP 16 32.087 55.201 25.123 1.00 0.00 ATOM 115 OD2 ASP 16 33.133 54.911 23.196 1.00 0.00 ATOM 116 O ASP 16 27.713 55.500 23.474 1.00 0.00 ATOM 117 C ASP 16 28.349 54.458 23.309 1.00 0.00 ATOM 118 N LYS 17 27.985 53.525 22.428 1.00 0.00 ATOM 119 CA LYS 17 26.899 53.777 21.463 1.00 0.00 ATOM 120 CB LYS 17 27.012 52.873 20.230 1.00 0.00 ATOM 121 CG LYS 17 28.260 53.041 19.370 1.00 0.00 ATOM 122 CD LYS 17 28.153 52.150 18.131 1.00 0.00 ATOM 123 CE LYS 17 29.444 52.111 17.304 1.00 0.00 ATOM 124 NZ LYS 17 30.005 53.482 17.040 1.00 0.00 ATOM 125 O LYS 17 25.233 52.532 22.679 1.00 0.00 ATOM 126 C LYS 17 25.517 53.592 22.100 1.00 0.00 ATOM 127 N PRO 18 24.628 54.599 21.970 1.00 0.00 ATOM 128 CA PRO 18 23.273 54.462 22.531 1.00 0.00 ATOM 129 CB PRO 18 22.611 55.817 22.232 1.00 0.00 ATOM 130 CG PRO 18 23.405 56.394 21.145 1.00 0.00 ATOM 131 CD PRO 18 24.824 55.916 21.336 1.00 0.00 ATOM 132 O PRO 18 21.602 52.762 22.586 1.00 0.00 ATOM 133 C PRO 18 22.469 53.317 21.918 1.00 0.00 ATOM 134 N THR 19 22.742 52.976 20.664 1.00 0.00 ATOM 135 CA THR 19 22.064 51.830 20.046 1.00 0.00 ATOM 136 CB THR 19 22.324 51.727 18.540 1.00 0.00 ATOM 137 CG2 THR 19 21.609 52.876 17.795 1.00 0.00 ATOM 138 OG1 THR 19 23.736 51.774 18.287 1.00 0.00 ATOM 139 O THR 19 21.624 49.656 20.987 1.00 0.00 ATOM 140 C THR 19 22.464 50.516 20.744 1.00 0.00 ATOM 141 N ASN 20 23.739 50.363 21.078 1.00 0.00 ATOM 142 CA ASN 20 24.151 49.175 21.842 1.00 0.00 ATOM 143 CB ASN 20 25.681 49.082 21.873 1.00 0.00 ATOM 144 CG ASN 20 26.283 48.685 20.512 1.00 0.00 ATOM 145 ND2 ASN 20 27.495 49.162 20.240 1.00 0.00 ATOM 146 OD1 ASN 20 25.677 47.949 19.733 1.00 0.00 ATOM 147 O ASN 20 23.133 48.144 23.801 1.00 0.00 ATOM 148 C ASN 20 23.583 49.180 23.274 1.00 0.00 ATOM 149 N LEU 21 23.616 50.337 23.925 1.00 0.00 ATOM 150 CA LEU 21 23.059 50.430 25.265 1.00 0.00 ATOM 151 CB LEU 21 23.360 51.791 25.897 1.00 0.00 ATOM 152 CG LEU 21 24.854 52.043 26.102 1.00 0.00 ATOM 153 CD1 LEU 21 25.124 53.529 26.387 1.00 0.00 ATOM 154 CD2 LEU 21 25.382 51.168 27.244 1.00 0.00 ATOM 155 O LEU 21 21.066 49.428 26.156 1.00 0.00 ATOM 156 C LEU 21 21.554 50.160 25.285 1.00 0.00 ATOM 157 N GLY 22 20.815 50.738 24.333 1.00 0.00 ATOM 158 CA GLY 22 19.360 50.530 24.281 1.00 0.00 ATOM 159 O GLY 22 18.126 48.526 24.689 1.00 0.00 ATOM 160 C GLY 22 18.996 49.073 24.023 1.00 0.00 ATOM 161 N GLY 23 19.686 48.459 23.066 1.00 0.00 ATOM 162 CA GLY 23 19.487 47.043 22.723 1.00 0.00 ATOM 163 O GLY 23 18.959 45.302 24.310 1.00 0.00 ATOM 164 C GLY 23 19.759 46.179 23.938 1.00 0.00 ATOM 165 N LEU 24 20.878 46.451 24.593 1.00 0.00 ATOM 166 CA LEU 24 21.257 45.673 25.764 1.00 0.00 ATOM 167 CB LEU 24 22.645 46.104 26.211 1.00 0.00 ATOM 168 CG LEU 24 23.323 45.283 27.285 1.00 0.00 ATOM 169 CD1 LEU 24 23.564 43.832 26.838 1.00 0.00 ATOM 170 CD2 LEU 24 24.627 45.997 27.587 1.00 0.00 ATOM 171 O LEU 24 19.922 44.885 27.613 1.00 0.00 ATOM 172 C LEU 24 20.233 45.839 26.889 1.00 0.00 ATOM 173 N CYS 25 19.716 47.057 27.045 1.00 0.00 ATOM 174 CA CYS 25 18.679 47.319 28.040 1.00 0.00 ATOM 175 CB CYS 25 18.271 48.790 27.984 1.00 0.00 ATOM 176 SG CYS 25 17.094 49.267 29.266 1.00 0.00 ATOM 177 O CYS 25 16.985 45.775 28.783 1.00 0.00 ATOM 178 C CYS 25 17.463 46.391 27.830 1.00 0.00 ATOM 179 N ARG 26 16.981 46.290 26.589 1.00 0.00 ATOM 180 CA ARG 26 15.839 45.412 26.278 1.00 0.00 ATOM 181 CB ARG 26 15.475 45.500 24.796 1.00 0.00 ATOM 182 CG ARG 26 14.263 44.637 24.389 1.00 0.00 ATOM 183 CD ARG 26 14.127 44.688 22.868 1.00 0.00 ATOM 184 NE ARG 26 12.875 44.090 22.434 1.00 0.00 ATOM 185 CZ ARG 26 12.313 44.301 21.245 1.00 0.00 ATOM 186 NH1 ARG 26 12.871 45.111 20.353 1.00 0.00 ATOM 187 NH2 ARG 26 11.170 43.708 20.953 1.00 0.00 ATOM 188 O ARG 26 15.397 43.289 27.305 1.00 0.00 ATOM 189 C ARG 26 16.174 43.973 26.642 1.00 0.00 ATOM 190 N THR 27 17.343 43.515 26.204 1.00 0.00 ATOM 191 CA THR 27 17.746 42.131 26.451 1.00 0.00 ATOM 192 CB THR 27 19.068 41.818 25.730 1.00 0.00 ATOM 193 CG2 THR 27 19.515 40.362 26.021 1.00 0.00 ATOM 194 OG1 THR 27 18.859 41.997 24.321 1.00 0.00 ATOM 195 O THR 27 17.377 40.774 28.415 1.00 0.00 ATOM 196 C THR 27 17.853 41.820 27.947 1.00 0.00 ATOM 197 N CYS 28 18.460 42.741 28.690 1.00 0.00 ATOM 198 CA CYS 28 18.614 42.579 30.134 1.00 0.00 ATOM 199 CB CYS 28 19.417 43.717 30.729 1.00 0.00 ATOM 200 SG CYS 28 21.145 43.555 30.356 1.00 0.00 ATOM 201 O CYS 28 17.070 41.681 31.709 1.00 0.00 ATOM 202 C CYS 28 17.260 42.504 30.818 1.00 0.00 ATOM 203 N GLU 29 16.318 43.352 30.402 1.00 0.00 ATOM 204 CA GLU 29 14.966 43.306 30.986 1.00 0.00 ATOM 205 CB GLU 29 14.113 44.467 30.491 1.00 0.00 ATOM 206 CG GLU 29 12.878 44.765 31.399 1.00 0.00 ATOM 207 CD GLU 29 11.695 43.818 31.202 1.00 0.00 ATOM 208 OE1 GLU 29 11.597 43.150 30.142 1.00 0.00 ATOM 209 OE2 GLU 29 10.846 43.720 32.124 1.00 0.00 ATOM 210 O GLU 29 13.691 41.354 31.599 1.00 0.00 ATOM 211 C GLU 29 14.258 41.990 30.697 1.00 0.00 ATOM 212 N VAL 30 14.318 41.566 29.437 1.00 0.00 ATOM 213 CA VAL 30 13.697 40.308 29.033 1.00 0.00 ATOM 214 CB VAL 30 13.884 40.057 27.517 1.00 0.00 ATOM 215 CG1 VAL 30 13.529 38.603 27.168 1.00 0.00 ATOM 216 CG2 VAL 30 13.046 41.031 26.716 1.00 0.00 ATOM 217 O VAL 30 13.391 38.254 30.248 1.00 0.00 ATOM 218 C VAL 30 14.192 39.110 29.839 1.00 0.00 ATOM 219 N PHE 31 15.495 39.067 30.115 1.00 0.00 ATOM 220 CA PHE 31 16.072 37.949 30.846 1.00 0.00 ATOM 221 CB PHE 31 17.452 37.613 30.270 1.00 0.00 ATOM 222 CG PHE 31 17.383 36.883 28.970 1.00 0.00 ATOM 223 CD1 PHE 31 16.762 35.628 28.892 1.00 0.00 ATOM 224 CD2 PHE 31 17.911 37.440 27.821 1.00 0.00 ATOM 225 CE1 PHE 31 16.686 34.937 27.670 1.00 0.00 ATOM 226 CE2 PHE 31 17.840 36.751 26.599 1.00 0.00 ATOM 227 CZ PHE 31 17.227 35.504 26.530 1.00 0.00 ATOM 228 O PHE 31 16.746 37.339 33.067 1.00 0.00 ATOM 229 C PHE 31 16.156 38.156 32.350 1.00 0.00 ATOM 230 N GLY 32 15.583 39.250 32.831 1.00 0.00 ATOM 231 CA GLY 32 15.477 39.465 34.278 1.00 0.00 ATOM 232 O GLY 32 16.947 39.299 36.171 1.00 0.00 ATOM 233 C GLY 32 16.785 39.712 35.013 1.00 0.00 ATOM 234 N ALA 33 17.735 40.372 34.360 1.00 0.00 ATOM 235 CA ALA 33 18.943 40.818 35.062 1.00 0.00 ATOM 236 CB ALA 33 19.850 41.579 34.116 1.00 0.00 ATOM 237 O ALA 33 17.600 42.439 36.264 1.00 0.00 ATOM 238 C ALA 33 18.591 41.682 36.278 1.00 0.00 ATOM 239 N SER 34 19.397 41.582 37.329 1.00 0.00 ATOM 240 CA SER 34 19.128 42.369 38.517 1.00 0.00 ATOM 241 CB SER 34 19.954 41.891 39.703 1.00 0.00 ATOM 242 OG SER 34 21.319 42.154 39.486 1.00 0.00 ATOM 243 O SER 34 18.631 44.698 38.831 1.00 0.00 ATOM 244 C SER 34 19.350 43.862 38.274 1.00 0.00 ATOM 245 N VAL 35 20.348 44.201 37.458 1.00 0.00 ATOM 246 CA VAL 35 20.640 45.617 37.212 1.00 0.00 ATOM 247 CB VAL 35 21.381 46.254 38.420 1.00 0.00 ATOM 248 CG1 VAL 35 22.740 45.579 38.648 1.00 0.00 ATOM 249 CG2 VAL 35 21.556 47.768 38.239 1.00 0.00 ATOM 250 O VAL 35 22.296 44.847 35.679 1.00 0.00 ATOM 251 C VAL 35 21.495 45.741 35.953 1.00 0.00 ATOM 252 N LEU 36 21.309 46.829 35.206 1.00 0.00 ATOM 253 CA LEU 36 22.236 47.185 34.135 1.00 0.00 ATOM 254 CB LEU 36 21.502 47.454 32.812 1.00 0.00 ATOM 255 CG LEU 36 22.341 47.923 31.608 1.00 0.00 ATOM 256 CD1 LEU 36 23.375 46.899 31.195 1.00 0.00 ATOM 257 CD2 LEU 36 21.428 48.245 30.411 1.00 0.00 ATOM 258 O LEU 36 22.399 49.455 34.920 1.00 0.00 ATOM 259 C LEU 36 22.993 48.422 34.584 1.00 0.00 ATOM 260 N VAL 37 24.307 48.303 34.637 1.00 0.00 ATOM 261 CA VAL 37 25.150 49.435 35.007 1.00 0.00 ATOM 262 CB VAL 37 26.367 48.921 35.812 1.00 0.00 ATOM 263 CG1 VAL 37 27.295 50.069 36.174 1.00 0.00 ATOM 264 CG2 VAL 37 25.888 48.186 37.040 1.00 0.00 ATOM 265 O VAL 37 26.123 49.548 32.832 1.00 0.00 ATOM 266 C VAL 37 25.609 50.172 33.762 1.00 0.00 ATOM 267 N VAL 38 25.437 51.500 33.747 1.00 0.00 ATOM 268 CA VAL 38 25.803 52.312 32.582 1.00 0.00 ATOM 269 CB VAL 38 24.565 52.914 31.860 1.00 0.00 ATOM 270 CG1 VAL 38 23.651 51.808 31.331 1.00 0.00 ATOM 271 CG2 VAL 38 23.794 53.858 32.785 1.00 0.00 ATOM 272 O VAL 38 26.840 53.792 34.175 1.00 0.00 ATOM 273 C VAL 38 26.767 53.431 32.989 1.00 0.00 ATOM 274 N GLY 39 27.484 53.967 32.005 1.00 0.00 ATOM 275 CA GLY 39 28.517 54.974 32.288 1.00 0.00 ATOM 276 O GLY 39 28.541 57.170 33.238 1.00 0.00 ATOM 277 C GLY 39 27.922 56.330 32.569 1.00 0.00 ATOM 278 N SER 40 26.719 56.552 32.046 1.00 0.00 ATOM 279 CA SER 40 25.991 57.803 32.272 1.00 0.00 ATOM 280 CB SER 40 26.458 58.896 31.320 1.00 0.00 ATOM 281 OG SER 40 25.661 60.068 31.510 1.00 0.00 ATOM 282 O SER 40 24.181 56.966 31.008 1.00 0.00 ATOM 283 C SER 40 24.528 57.536 32.030 1.00 0.00 ATOM 284 N LEU 41 23.674 57.941 32.959 1.00 0.00 ATOM 285 CA LEU 41 22.232 57.821 32.752 1.00 0.00 ATOM 286 CB LEU 41 21.449 57.961 34.058 1.00 0.00 ATOM 287 CG LEU 41 21.554 56.735 34.970 1.00 0.00 ATOM 288 CD1 LEU 41 21.012 57.026 36.358 1.00 0.00 ATOM 289 CD2 LEU 41 20.810 55.561 34.320 1.00 0.00 ATOM 290 O LEU 41 20.581 58.715 31.281 1.00 0.00 ATOM 291 C LEU 41 21.732 58.795 31.688 1.00 0.00 ATOM 292 N GLN 42 22.616 59.671 31.197 1.00 0.00 ATOM 293 CA GLN 42 22.290 60.474 30.012 1.00 0.00 ATOM 294 CB GLN 42 23.481 61.319 29.550 1.00 0.00 ATOM 295 CG GLN 42 23.810 62.429 30.492 1.00 0.00 ATOM 296 CD GLN 42 25.022 63.220 30.073 1.00 0.00 ATOM 297 OE1 GLN 42 25.382 63.264 28.889 1.00 0.00 ATOM 298 NE2 GLN 42 25.661 63.867 31.041 1.00 0.00 ATOM 299 O GLN 42 21.016 60.005 28.044 1.00 0.00 ATOM 300 C GLN 42 21.838 59.587 28.854 1.00 0.00 ATOM 301 N CYS 43 22.369 58.360 28.776 1.00 0.00 ATOM 302 CA CYS 43 22.049 57.460 27.658 1.00 0.00 ATOM 303 CB CYS 43 22.802 56.123 27.762 1.00 0.00 ATOM 304 SG CYS 43 22.277 55.030 29.119 1.00 0.00 ATOM 305 O CYS 43 20.079 57.124 26.339 1.00 0.00 ATOM 306 C CYS 43 20.545 57.219 27.479 1.00 0.00 ATOM 307 N ILE 44 19.790 57.127 28.577 1.00 0.00 ATOM 308 CA ILE 44 18.362 56.828 28.457 1.00 0.00 ATOM 309 CB ILE 44 17.731 56.233 29.748 1.00 0.00 ATOM 310 CG1 ILE 44 17.461 57.313 30.788 1.00 0.00 ATOM 311 CG2 ILE 44 18.627 55.125 30.335 1.00 0.00 ATOM 312 CD1 ILE 44 16.765 56.792 32.060 1.00 0.00 ATOM 313 O ILE 44 16.416 57.871 27.529 1.00 0.00 ATOM 314 C ILE 44 17.558 58.028 27.920 1.00 0.00 ATOM 315 N SER 45 18.166 59.216 27.905 1.00 0.00 ATOM 316 CA SER 45 17.512 60.409 27.336 1.00 0.00 ATOM 317 CB SER 45 18.137 61.675 27.927 1.00 0.00 ATOM 318 OG SER 45 19.403 61.968 27.322 1.00 0.00 ATOM 319 O SER 45 17.012 61.402 25.195 1.00 0.00 ATOM 320 C SER 45 17.608 60.503 25.811 1.00 0.00 ATOM 321 N ASP 46 18.379 59.599 25.217 1.00 0.00 ATOM 322 CA ASP 46 18.723 59.622 23.799 1.00 0.00 ATOM 323 CB ASP 46 20.119 58.988 23.647 1.00 0.00 ATOM 324 CG ASP 46 20.646 59.028 22.237 1.00 0.00 ATOM 325 OD1 ASP 46 21.622 59.764 21.977 1.00 0.00 ATOM 326 OD2 ASP 46 20.114 58.291 21.385 1.00 0.00 ATOM 327 O ASP 46 17.307 57.754 23.359 1.00 0.00 ATOM 328 C ASP 46 17.665 58.863 22.998 1.00 0.00 ATOM 329 N LYS 47 17.170 59.464 21.910 1.00 0.00 ATOM 330 CA LYS 47 16.135 58.842 21.099 1.00 0.00 ATOM 331 CB LYS 47 15.670 59.789 19.978 1.00 0.00 ATOM 332 CG LYS 47 14.828 60.963 20.503 1.00 0.00 ATOM 333 CD LYS 47 14.899 62.186 19.579 1.00 0.00 ATOM 334 CE LYS 47 13.903 63.284 19.976 1.00 0.00 ATOM 335 NZ LYS 47 14.077 63.765 21.377 1.00 0.00 ATOM 336 O LYS 47 15.714 56.597 20.416 1.00 0.00 ATOM 337 C LYS 47 16.557 57.493 20.528 1.00 0.00 ATOM 338 N GLN 48 17.842 57.349 20.194 1.00 0.00 ATOM 339 CA GLN 48 18.367 56.091 19.620 1.00 0.00 ATOM 340 CB GLN 48 19.823 56.212 19.152 1.00 0.00 ATOM 341 CG GLN 48 20.131 57.145 17.984 1.00 0.00 ATOM 342 CD GLN 48 21.588 57.646 18.024 1.00 0.00 ATOM 343 OE1 GLN 48 21.858 58.785 18.448 1.00 0.00 ATOM 344 NE2 GLN 48 22.530 56.794 17.614 1.00 0.00 ATOM 345 O GLN 48 18.017 53.817 20.330 1.00 0.00 ATOM 346 C GLN 48 18.315 54.980 20.663 1.00 0.00 ATOM 347 N PHE 49 18.637 55.330 21.911 1.00 0.00 ATOM 348 CA PHE 49 18.527 54.396 23.033 1.00 0.00 ATOM 349 CB PHE 49 19.023 55.051 24.333 1.00 0.00 ATOM 350 CG PHE 49 18.878 54.183 25.560 1.00 0.00 ATOM 351 CD1 PHE 49 19.988 53.510 26.082 1.00 0.00 ATOM 352 CD2 PHE 49 17.638 54.024 26.182 1.00 0.00 ATOM 353 CE1 PHE 49 19.869 52.716 27.215 1.00 0.00 ATOM 354 CE2 PHE 49 17.503 53.215 27.326 1.00 0.00 ATOM 355 CZ PHE 49 18.622 52.566 27.845 1.00 0.00 ATOM 356 O PHE 49 16.768 52.761 23.208 1.00 0.00 ATOM 357 C PHE 49 17.072 53.955 23.170 1.00 0.00 ATOM 358 N GLN 50 16.176 54.936 23.228 1.00 0.00 ATOM 359 CA GLN 50 14.760 54.670 23.467 1.00 0.00 ATOM 360 CB GLN 50 14.006 55.983 23.672 1.00 0.00 ATOM 361 CG GLN 50 14.411 56.660 24.952 1.00 0.00 ATOM 362 CD GLN 50 13.414 57.708 25.411 1.00 0.00 ATOM 363 OE1 GLN 50 12.543 58.141 24.646 1.00 0.00 ATOM 364 NE2 GLN 50 13.536 58.120 26.666 1.00 0.00 ATOM 365 O GLN 50 13.232 53.018 22.679 1.00 0.00 ATOM 366 C GLN 50 14.100 53.829 22.378 1.00 0.00 ATOM 367 N HIS 51 14.520 54.029 21.133 1.00 0.00 ATOM 368 CA HIS 51 13.975 53.290 19.995 1.00 0.00 ATOM 369 CB HIS 51 14.542 53.831 18.678 1.00 0.00 ATOM 370 CG HIS 51 14.008 53.133 17.464 1.00 0.00 ATOM 371 CD2 HIS 51 14.619 52.346 16.546 1.00 0.00 ATOM 372 ND1 HIS 51 12.681 53.194 17.095 1.00 0.00 ATOM 373 CE1 HIS 51 12.497 52.476 15.998 1.00 0.00 ATOM 374 NE2 HIS 51 13.657 51.951 15.645 1.00 0.00 ATOM 375 O HIS 51 13.448 50.957 19.709 1.00 0.00 ATOM 376 C HIS 51 14.266 51.798 20.120 1.00 0.00 ATOM 377 N LEU 52 15.429 51.477 20.686 1.00 0.00 ATOM 378 CA LEU 52 15.869 50.084 20.793 1.00 0.00 ATOM 379 CB LEU 52 17.387 49.968 20.573 1.00 0.00 ATOM 380 CG LEU 52 17.859 49.827 19.115 1.00 0.00 ATOM 381 CD1 LEU 52 17.747 51.090 18.316 1.00 0.00 ATOM 382 CD2 LEU 52 19.272 49.303 19.052 1.00 0.00 ATOM 383 O LEU 52 15.219 48.247 22.209 1.00 0.00 ATOM 384 C LEU 52 15.458 49.457 22.131 1.00 0.00 ATOM 385 N SER 53 15.381 50.276 23.179 1.00 0.00 ATOM 386 CA SER 53 15.039 49.758 24.505 1.00 0.00 ATOM 387 CB SER 53 15.490 50.722 25.599 1.00 0.00 ATOM 388 OG SER 53 14.683 51.882 25.600 1.00 0.00 ATOM 389 O SER 53 13.198 48.736 25.611 1.00 0.00 ATOM 390 C SER 53 13.558 49.450 24.683 1.00 0.00 ATOM 391 N VAL 54 12.712 50.030 23.823 1.00 0.00 ATOM 392 CA VAL 54 11.254 49.818 23.862 1.00 0.00 ATOM 393 CB VAL 54 10.808 48.560 23.026 1.00 0.00 ATOM 394 CG1 VAL 54 11.227 48.732 21.585 1.00 0.00 ATOM 395 CG2 VAL 54 11.389 47.255 23.595 1.00 0.00 ATOM 396 O VAL 54 9.892 48.974 25.684 1.00 0.00 ATOM 397 C VAL 54 10.655 49.853 25.278 1.00 0.00 ATOM 398 N SER 55 11.037 50.883 26.026 1.00 0.00 ATOM 399 CA SER 55 10.539 51.137 27.389 1.00 0.00 ATOM 400 CB SER 55 9.005 51.107 27.465 1.00 0.00 ATOM 401 OG SER 55 8.465 52.190 26.734 1.00 0.00 ATOM 402 O SER 55 10.676 50.348 29.629 1.00 0.00 ATOM 403 C SER 55 11.103 50.242 28.479 1.00 0.00 ATOM 404 N ALA 56 12.068 49.383 28.137 1.00 0.00 ATOM 405 CA ALA 56 12.623 48.445 29.116 1.00 0.00 ATOM 406 CB ALA 56 13.637 47.502 28.452 1.00 0.00 ATOM 407 O ALA 56 13.253 48.612 31.431 1.00 0.00 ATOM 408 C ALA 56 13.240 49.162 30.325 1.00 0.00 ATOM 409 N GLU 57 13.724 50.392 30.108 1.00 0.00 ATOM 410 CA GLU 57 14.300 51.224 31.167 1.00 0.00 ATOM 411 CB GLU 57 14.908 52.525 30.599 1.00 0.00 ATOM 412 CG GLU 57 13.938 53.538 30.010 1.00 0.00 ATOM 413 CD GLU 57 13.647 53.312 28.535 1.00 0.00 ATOM 414 OE1 GLU 57 13.780 52.169 28.054 1.00 0.00 ATOM 415 OE2 GLU 57 13.279 54.286 27.842 1.00 0.00 ATOM 416 O GLU 57 13.718 51.887 33.404 1.00 0.00 ATOM 417 C GLU 57 13.311 51.537 32.296 1.00 0.00 ATOM 418 N GLN 58 12.019 51.411 32.011 1.00 0.00 ATOM 419 CA GLN 58 10.994 51.633 33.027 1.00 0.00 ATOM 420 CB GLN 58 9.640 51.912 32.356 1.00 0.00 ATOM 421 CG GLN 58 9.673 53.162 31.471 1.00 0.00 ATOM 422 CD GLN 58 8.400 53.378 30.665 1.00 0.00 ATOM 423 OE1 GLN 58 7.300 53.028 31.101 1.00 0.00 ATOM 424 NE2 GLN 58 8.547 53.960 29.478 1.00 0.00 ATOM 425 O GLN 58 10.276 50.613 35.088 1.00 0.00 ATOM 426 C GLN 58 10.883 50.470 34.013 1.00 0.00 ATOM 427 N TRP 59 11.471 49.326 33.655 1.00 0.00 ATOM 428 CA TRP 59 11.231 48.074 34.367 1.00 0.00 ATOM 429 CB TRP 59 10.407 47.124 33.489 1.00 0.00 ATOM 430 CG TRP 59 9.176 47.799 33.047 1.00 0.00 ATOM 431 CD1 TRP 59 8.853 48.171 31.782 1.00 0.00 ATOM 432 CD2 TRP 59 8.118 48.266 33.894 1.00 0.00 ATOM 433 CE2 TRP 59 7.172 48.902 33.063 1.00 0.00 ATOM 434 CE3 TRP 59 7.887 48.219 35.279 1.00 0.00 ATOM 435 NE1 TRP 59 7.640 48.826 31.777 1.00 0.00 ATOM 436 CZ2 TRP 59 5.995 49.478 33.566 1.00 0.00 ATOM 437 CZ3 TRP 59 6.703 48.789 35.783 1.00 0.00 ATOM 438 CH2 TRP 59 5.778 49.403 34.924 1.00 0.00 ATOM 439 O TRP 59 12.420 46.481 35.685 1.00 0.00 ATOM 440 C TRP 59 12.488 47.381 34.847 1.00 0.00 ATOM 441 N LEU 60 13.615 47.779 34.276 1.00 0.00 ATOM 442 CA LEU 60 14.912 47.230 34.625 1.00 0.00 ATOM 443 CB LEU 60 15.702 46.889 33.350 1.00 0.00 ATOM 444 CG LEU 60 17.189 46.538 33.548 1.00 0.00 ATOM 445 CD1 LEU 60 17.358 45.177 34.193 1.00 0.00 ATOM 446 CD2 LEU 60 17.895 46.600 32.234 1.00 0.00 ATOM 447 O LEU 60 15.783 49.431 34.974 1.00 0.00 ATOM 448 C LEU 60 15.658 48.299 35.426 1.00 0.00 ATOM 449 N PRO 61 16.158 47.944 36.624 1.00 0.00 ATOM 450 CA PRO 61 16.949 48.919 37.366 1.00 0.00 ATOM 451 CB PRO 61 17.273 48.187 38.675 1.00 0.00 ATOM 452 CG PRO 61 16.222 47.151 38.779 1.00 0.00 ATOM 453 CD PRO 61 16.020 46.685 37.372 1.00 0.00 ATOM 454 O PRO 61 18.937 48.370 36.126 1.00 0.00 ATOM 455 C PRO 61 18.229 49.267 36.617 1.00 0.00 ATOM 456 N LEU 62 18.486 50.567 36.499 1.00 0.00 ATOM 457 CA LEU 62 19.705 51.068 35.889 1.00 0.00 ATOM 458 CB LEU 62 19.389 52.014 34.718 1.00 0.00 ATOM 459 CG LEU 62 18.897 51.526 33.331 1.00 0.00 ATOM 460 CD1 LEU 62 19.951 51.754 32.243 1.00 0.00 ATOM 461 CD2 LEU 62 18.484 50.092 33.305 1.00 0.00 ATOM 462 O LEU 62 19.890 52.592 37.744 1.00 0.00 ATOM 463 C LEU 62 20.481 51.825 36.964 1.00 0.00 ATOM 464 N VAL 63 21.789 51.604 37.029 1.00 0.00 ATOM 465 CA VAL 63 22.631 52.427 37.912 1.00 0.00 ATOM 466 CB VAL 63 23.083 51.692 39.228 1.00 0.00 ATOM 467 CG1 VAL 63 21.907 51.001 39.914 1.00 0.00 ATOM 468 CG2 VAL 63 24.224 50.751 39.021 1.00 0.00 ATOM 469 O VAL 63 24.284 52.431 36.179 1.00 0.00 ATOM 470 C VAL 63 23.784 53.038 37.127 1.00 0.00 ATOM 471 N GLU 64 24.172 54.255 37.492 1.00 0.00 ATOM 472 CA GLU 64 25.299 54.909 36.847 1.00 0.00 ATOM 473 CB GLU 64 25.051 56.416 36.753 1.00 0.00 ATOM 474 CG GLU 64 26.169 57.216 36.146 1.00 0.00 ATOM 475 CD GLU 64 25.826 58.698 36.059 1.00 0.00 ATOM 476 OE1 GLU 64 24.933 59.072 35.262 1.00 0.00 ATOM 477 OE2 GLU 64 26.470 59.479 36.795 1.00 0.00 ATOM 478 O GLU 64 26.648 54.925 38.833 1.00 0.00 ATOM 479 C GLU 64 26.573 54.632 37.639 1.00 0.00 ATOM 480 N VAL 65 27.553 54.044 36.963 1.00 0.00 ATOM 481 CA VAL 65 28.927 53.943 37.469 1.00 0.00 ATOM 482 CB VAL 65 29.331 52.495 37.903 1.00 0.00 ATOM 483 CG1 VAL 65 30.800 52.441 38.339 1.00 0.00 ATOM 484 CG2 VAL 65 28.407 51.974 39.008 1.00 0.00 ATOM 485 O VAL 65 29.968 53.832 35.304 1.00 0.00 ATOM 486 C VAL 65 29.802 54.471 36.340 1.00 0.00 ATOM 487 N LYS 66 30.311 55.690 36.515 1.00 0.00 ATOM 488 CA LYS 66 31.208 56.273 35.526 1.00 0.00 ATOM 489 CB LYS 66 31.502 57.737 35.884 1.00 0.00 ATOM 490 CG LYS 66 30.252 58.614 35.908 1.00 0.00 ATOM 491 CD LYS 66 30.645 60.076 36.078 1.00 0.00 ATOM 492 CE LYS 66 29.456 60.930 36.461 1.00 0.00 ATOM 493 NZ LYS 66 29.888 62.351 36.685 1.00 0.00 ATOM 494 O LYS 66 32.897 54.869 36.472 1.00 0.00 ATOM 495 C LYS 66 32.489 55.449 35.457 1.00 0.00 ATOM 496 N PRO 67 33.121 55.370 34.268 1.00 0.00 ATOM 497 CA PRO 67 34.318 54.533 34.160 1.00 0.00 ATOM 498 CB PRO 67 34.795 54.774 32.724 1.00 0.00 ATOM 499 CG PRO 67 33.511 55.113 31.978 1.00 0.00 ATOM 500 CD PRO 67 32.752 55.970 32.969 1.00 0.00 ATOM 501 O PRO 67 35.958 53.804 35.747 1.00 0.00 ATOM 502 C PRO 67 35.402 54.782 35.242 1.00 0.00 ATOM 503 N PRO 68 35.676 56.055 35.637 1.00 0.00 ATOM 504 CA PRO 68 36.669 56.235 36.708 1.00 0.00 ATOM 505 CB PRO 68 36.750 57.760 36.854 1.00 0.00 ATOM 506 CG PRO 68 36.320 58.289 35.549 1.00 0.00 ATOM 507 CD PRO 68 35.203 57.363 35.146 1.00 0.00 ATOM 508 O PRO 68 37.227 55.375 38.874 1.00 0.00 ATOM 509 C PRO 68 36.320 55.606 38.062 1.00 0.00 ATOM 510 N GLN 69 35.035 55.328 38.302 1.00 0.00 ATOM 511 CA GLN 69 34.559 54.702 39.538 1.00 0.00 ATOM 512 CB GLN 69 33.217 55.302 39.945 1.00 0.00 ATOM 513 CG GLN 69 33.336 56.600 40.727 1.00 0.00 ATOM 514 CD GLN 69 33.647 57.767 39.829 1.00 0.00 ATOM 515 OE1 GLN 69 32.794 58.212 39.053 1.00 0.00 ATOM 516 NE2 GLN 69 34.877 58.277 39.919 1.00 0.00 ATOM 517 O GLN 69 33.970 52.520 40.388 1.00 0.00 ATOM 518 C GLN 69 34.391 53.174 39.430 1.00 0.00 ATOM 519 N LEU 70 34.705 52.625 38.259 1.00 0.00 ATOM 520 CA LEU 70 34.491 51.205 37.982 1.00 0.00 ATOM 521 CB LEU 70 34.812 50.916 36.515 1.00 0.00 ATOM 522 CG LEU 70 33.917 50.093 35.597 1.00 0.00 ATOM 523 CD1 LEU 70 32.453 50.000 36.060 1.00 0.00 ATOM 524 CD2 LEU 70 34.018 50.698 34.195 1.00 0.00 ATOM 525 O LEU 70 34.763 49.342 39.455 1.00 0.00 ATOM 526 C LEU 70 35.300 50.301 38.909 1.00 0.00 ATOM 527 N ILE 71 36.577 50.613 39.117 1.00 0.00 ATOM 528 CA ILE 71 37.424 49.765 39.974 1.00 0.00 ATOM 529 CB ILE 71 38.918 50.220 39.996 1.00 0.00 ATOM 530 CG1 ILE 71 39.596 49.880 38.667 1.00 0.00 ATOM 531 CG2 ILE 71 39.690 49.557 41.172 1.00 0.00 ATOM 532 CD1 ILE 71 41.034 50.416 38.523 1.00 0.00 ATOM 533 O ILE 71 36.726 48.516 41.910 1.00 0.00 ATOM 534 C ILE 71 36.845 49.626 41.382 1.00 0.00 ATOM 535 N ASP 72 36.453 50.750 41.975 1.00 0.00 ATOM 536 CA ASP 72 35.818 50.745 43.288 1.00 0.00 ATOM 537 CB ASP 72 35.580 52.183 43.768 1.00 0.00 ATOM 538 CG ASP 72 36.880 52.926 44.088 1.00 0.00 ATOM 539 OD1 ASP 72 37.924 52.277 44.356 1.00 0.00 ATOM 540 OD2 ASP 72 36.859 54.179 44.054 1.00 0.00 ATOM 541 O ASP 72 34.229 49.191 44.257 1.00 0.00 ATOM 542 C ASP 72 34.499 49.947 43.310 1.00 0.00 ATOM 543 N TYR 73 33.685 50.109 42.258 1.00 0.00 ATOM 544 CA TYR 73 32.423 49.385 42.149 1.00 0.00 ATOM 545 CB TYR 73 31.624 49.874 40.928 1.00 0.00 ATOM 546 CG TYR 73 30.346 49.106 40.696 1.00 0.00 ATOM 547 CD1 TYR 73 29.209 49.363 41.464 1.00 0.00 ATOM 548 CD2 TYR 73 30.270 48.114 39.714 1.00 0.00 ATOM 549 CE1 TYR 73 28.031 48.670 41.263 1.00 0.00 ATOM 550 CE2 TYR 73 29.091 47.402 39.508 1.00 0.00 ATOM 551 CZ TYR 73 27.981 47.681 40.284 1.00 0.00 ATOM 552 OH TYR 73 26.811 46.999 40.089 1.00 0.00 ATOM 553 O TYR 73 32.018 47.094 42.780 1.00 0.00 ATOM 554 C TYR 73 32.663 47.873 42.073 1.00 0.00 ATOM 555 N LEU 74 33.592 47.465 41.217 1.00 0.00 ATOM 556 CA LEU 74 33.879 46.047 41.041 1.00 0.00 ATOM 557 CB LEU 74 34.862 45.830 39.889 1.00 0.00 ATOM 558 CG LEU 74 34.370 46.258 38.498 1.00 0.00 ATOM 559 CD1 LEU 74 35.461 46.069 37.461 1.00 0.00 ATOM 560 CD2 LEU 74 33.108 45.491 38.096 1.00 0.00 ATOM 561 O LEU 74 34.037 44.343 42.714 1.00 0.00 ATOM 562 C LEU 74 34.421 45.448 42.334 1.00 0.00 ATOM 563 N GLN 75 35.283 46.200 43.016 1.00 0.00 ATOM 564 CA GLN 75 35.838 45.742 44.301 1.00 0.00 ATOM 565 CB GLN 75 36.971 46.676 44.776 1.00 0.00 ATOM 566 CG GLN 75 38.154 46.764 43.770 1.00 0.00 ATOM 567 CD GLN 75 39.417 47.462 44.300 1.00 0.00 ATOM 568 OE1 GLN 75 39.372 48.246 45.259 1.00 0.00 ATOM 569 NE2 GLN 75 40.555 47.173 43.664 1.00 0.00 ATOM 570 O GLN 75 34.691 44.541 46.071 1.00 0.00 ATOM 571 C GLN 75 34.729 45.552 45.358 1.00 0.00 ATOM 572 N GLN 76 33.775 46.469 45.406 1.00 0.00 ATOM 573 CA GLN 76 32.636 46.316 46.315 1.00 0.00 ATOM 574 CB GLN 76 31.776 47.583 46.323 1.00 0.00 ATOM 575 CG GLN 76 30.579 47.546 47.299 1.00 0.00 ATOM 576 CD GLN 76 30.944 47.151 48.732 1.00 0.00 ATOM 577 OE1 GLN 76 32.003 47.528 49.257 1.00 0.00 ATOM 578 NE2 GLN 76 30.061 46.385 49.371 1.00 0.00 ATOM 579 O GLN 76 31.380 44.342 46.907 1.00 0.00 ATOM 580 C GLN 76 31.796 45.069 46.001 1.00 0.00 ATOM 581 N LYS 77 31.572 44.797 44.717 1.00 0.00 ATOM 582 CA LYS 77 30.788 43.627 44.350 1.00 0.00 ATOM 583 CB LYS 77 30.392 43.672 42.864 1.00 0.00 ATOM 584 CG LYS 77 29.395 44.768 42.549 1.00 0.00 ATOM 585 CD LYS 77 28.088 44.488 43.265 1.00 0.00 ATOM 586 CE LYS 77 27.097 45.608 43.070 1.00 0.00 ATOM 587 NZ LYS 77 26.247 45.809 44.269 1.00 0.00 ATOM 588 O LYS 77 30.869 41.340 45.041 1.00 0.00 ATOM 589 C LYS 77 31.512 42.316 44.690 1.00 0.00 ATOM 590 N LYS 78 32.847 42.302 44.607 1.00 0.00 ATOM 591 CA LYS 78 33.615 41.118 45.047 1.00 0.00 ATOM 592 CB LYS 78 35.119 41.303 44.865 1.00 0.00 ATOM 593 CG LYS 78 35.554 41.253 43.428 1.00 0.00 ATOM 594 CD LYS 78 37.062 41.369 43.288 1.00 0.00 ATOM 595 CE LYS 78 37.449 41.298 41.826 1.00 0.00 ATOM 596 NZ LYS 78 38.913 41.231 41.610 1.00 0.00 ATOM 597 O LYS 78 33.131 39.684 46.929 1.00 0.00 ATOM 598 C LYS 78 33.334 40.831 46.522 1.00 0.00 ATOM 599 N THR 79 33.317 41.904 47.292 1.00 0.00 ATOM 600 CA THR 79 32.992 41.873 48.713 1.00 0.00 ATOM 601 CB THR 79 33.081 43.325 49.202 1.00 0.00 ATOM 602 CG2 THR 79 32.109 43.653 50.276 1.00 0.00 ATOM 603 OG1 THR 79 34.439 43.607 49.571 1.00 0.00 ATOM 604 O THR 79 31.379 40.607 50.014 1.00 0.00 ATOM 605 C THR 79 31.617 41.245 48.969 1.00 0.00 ATOM 606 N GLU 80 30.714 41.411 48.009 1.00 0.00 ATOM 607 CA GLU 80 29.344 40.911 48.113 1.00 0.00 ATOM 608 CB GLU 80 28.362 41.906 47.483 1.00 0.00 ATOM 609 CG GLU 80 28.214 43.202 48.292 1.00 0.00 ATOM 610 CD GLU 80 27.660 44.361 47.497 1.00 0.00 ATOM 611 OE1 GLU 80 27.029 44.128 46.442 1.00 0.00 ATOM 612 OE2 GLU 80 27.861 45.521 47.932 1.00 0.00 ATOM 613 O GLU 80 28.077 39.001 47.386 1.00 0.00 ATOM 614 C GLU 80 29.196 39.520 47.507 1.00 0.00 ATOM 615 N GLY 81 30.335 38.925 47.135 1.00 0.00 ATOM 616 CA GLY 81 30.390 37.553 46.675 1.00 0.00 ATOM 617 O GLY 81 30.069 36.277 44.702 1.00 0.00 ATOM 618 C GLY 81 30.248 37.393 45.168 1.00 0.00 ATOM 619 N TYR 82 30.319 38.496 44.425 1.00 0.00 ATOM 620 CA TYR 82 30.241 38.420 42.940 1.00 0.00 ATOM 621 CB TYR 82 29.793 39.766 42.319 1.00 0.00 ATOM 622 CG TYR 82 28.292 39.902 42.361 1.00 0.00 ATOM 623 CD1 TYR 82 27.637 40.320 43.518 1.00 0.00 ATOM 624 CD2 TYR 82 27.519 39.535 41.264 1.00 0.00 ATOM 625 CE1 TYR 82 26.250 40.391 43.572 1.00 0.00 ATOM 626 CE2 TYR 82 26.139 39.593 41.305 1.00 0.00 ATOM 627 CZ TYR 82 25.507 40.023 42.464 1.00 0.00 ATOM 628 OH TYR 82 24.123 40.100 42.511 1.00 0.00 ATOM 629 O TYR 82 32.626 38.402 42.799 1.00 0.00 ATOM 630 C TYR 82 31.557 37.985 42.338 1.00 0.00 ATOM 631 N THR 83 31.460 37.140 41.311 1.00 0.00 ATOM 632 CA THR 83 32.590 36.824 40.446 1.00 0.00 ATOM 633 CB THR 83 32.465 35.393 39.877 1.00 0.00 ATOM 634 CG2 THR 83 33.615 35.075 38.895 1.00 0.00 ATOM 635 OG1 THR 83 32.496 34.453 40.957 1.00 0.00 ATOM 636 O THR 83 31.548 38.013 38.648 1.00 0.00 ATOM 637 C THR 83 32.585 37.830 39.314 1.00 0.00 ATOM 638 N ILE 84 33.726 38.493 39.120 1.00 0.00 ATOM 639 CA ILE 84 33.833 39.541 38.093 1.00 0.00 ATOM 640 CB ILE 84 34.803 40.671 38.537 1.00 0.00 ATOM 641 CG1 ILE 84 34.455 41.166 39.964 1.00 0.00 ATOM 642 CG2 ILE 84 34.880 41.796 37.493 1.00 0.00 ATOM 643 CD1 ILE 84 33.026 41.671 40.151 1.00 0.00 ATOM 644 O ILE 84 35.489 38.478 36.737 1.00 0.00 ATOM 645 C ILE 84 34.329 38.880 36.820 1.00 0.00 ATOM 646 N ILE 85 33.426 38.766 35.842 1.00 0.00 ATOM 647 CA ILE 85 33.678 38.065 34.580 1.00 0.00 ATOM 648 CB ILE 85 32.493 37.143 34.249 1.00 0.00 ATOM 649 CG1 ILE 85 32.268 36.131 35.395 1.00 0.00 ATOM 650 CG2 ILE 85 32.663 36.447 32.869 1.00 0.00 ATOM 651 CD1 ILE 85 30.952 35.331 35.315 1.00 0.00 ATOM 652 O ILE 85 32.926 39.763 33.088 1.00 0.00 ATOM 653 C ILE 85 33.868 39.084 33.468 1.00 0.00 ATOM 654 N GLY 86 35.084 39.170 32.931 1.00 0.00 ATOM 655 CA GLY 86 35.312 39.992 31.748 1.00 0.00 ATOM 656 O GLY 86 34.971 38.013 30.446 1.00 0.00 ATOM 657 C GLY 86 34.795 39.228 30.551 1.00 0.00 ATOM 658 N VAL 87 34.091 39.929 29.678 1.00 0.00 ATOM 659 CA VAL 87 33.611 39.322 28.456 1.00 0.00 ATOM 660 CB VAL 87 32.152 39.712 28.175 1.00 0.00 ATOM 661 CG1 VAL 87 31.653 39.055 26.869 1.00 0.00 ATOM 662 CG2 VAL 87 31.263 39.331 29.380 1.00 0.00 ATOM 663 O VAL 87 34.442 40.979 26.914 1.00 0.00 ATOM 664 C VAL 87 34.534 39.824 27.354 1.00 0.00 ATOM 665 N GLU 88 35.459 38.970 26.935 1.00 0.00 ATOM 666 CA GLU 88 36.506 39.447 26.038 1.00 0.00 ATOM 667 CB GLU 88 37.413 40.438 26.780 1.00 0.00 ATOM 668 CG GLU 88 38.449 41.177 25.892 1.00 0.00 ATOM 669 CD GLU 88 37.815 41.924 24.717 1.00 0.00 ATOM 670 OE1 GLU 88 37.724 43.165 24.821 1.00 0.00 ATOM 671 OE2 GLU 88 37.382 41.277 23.717 1.00 0.00 ATOM 672 O GLU 88 37.549 37.287 26.112 1.00 0.00 ATOM 673 C GLU 88 37.341 38.322 25.466 1.00 0.00 ATOM 674 N GLN 89 37.836 38.561 24.255 1.00 0.00 ATOM 675 CA GLN 89 38.724 37.624 23.562 1.00 0.00 ATOM 676 CB GLN 89 38.593 37.791 22.040 1.00 0.00 ATOM 677 CG GLN 89 37.170 37.571 21.514 1.00 0.00 ATOM 678 CD GLN 89 37.031 37.957 20.052 1.00 0.00 ATOM 679 OE1 GLN 89 36.999 39.136 19.705 1.00 0.00 ATOM 680 NE2 GLN 89 36.951 36.962 19.200 1.00 0.00 ATOM 681 O GLN 89 40.645 39.037 23.744 1.00 0.00 ATOM 682 C GLN 89 40.150 37.944 24.017 1.00 0.00 ATOM 683 N THR 90 40.761 37.029 24.771 1.00 0.00 ATOM 684 CA THR 90 42.137 37.211 25.280 1.00 0.00 ATOM 685 CB THR 90 42.196 37.799 26.736 1.00 0.00 ATOM 686 CG2 THR 90 41.241 38.979 26.956 1.00 0.00 ATOM 687 OG1 THR 90 41.898 36.768 27.679 1.00 0.00 ATOM 688 O THR 90 42.141 34.801 25.269 1.00 0.00 ATOM 689 C THR 90 42.812 35.845 25.310 1.00 0.00 ATOM 690 N ALA 91 44.144 35.845 25.425 1.00 0.00 ATOM 691 CA ALA 91 44.887 34.590 25.402 1.00 0.00 ATOM 692 CB ALA 91 46.397 34.872 25.309 1.00 0.00 ATOM 693 O ALA 91 44.772 32.453 26.519 1.00 0.00 ATOM 694 C ALA 91 44.576 33.680 26.593 1.00 0.00 ATOM 695 N LYS 92 44.062 34.271 27.674 1.00 0.00 ATOM 696 CA LYS 92 43.743 33.511 28.887 1.00 0.00 ATOM 697 CB LYS 92 44.429 34.137 30.099 1.00 0.00 ATOM 698 CG LYS 92 45.951 33.948 30.043 1.00 0.00 ATOM 699 CD LYS 92 46.616 34.283 31.368 1.00 0.00 ATOM 700 CE LYS 92 48.093 33.892 31.358 1.00 0.00 ATOM 701 NZ LYS 92 48.831 34.639 32.430 1.00 0.00 ATOM 702 O LYS 92 41.808 32.889 30.200 1.00 0.00 ATOM 703 C LYS 92 42.241 33.350 29.125 1.00 0.00 ATOM 704 N SER 93 41.446 33.706 28.121 1.00 0.00 ATOM 705 CA SER 93 39.992 33.595 28.277 1.00 0.00 ATOM 706 CB SER 93 39.271 34.370 27.176 1.00 0.00 ATOM 707 OG SER 93 39.440 35.761 27.374 1.00 0.00 ATOM 708 O SER 93 40.074 31.319 27.556 1.00 0.00 ATOM 709 C SER 93 39.526 32.142 28.281 1.00 0.00 ATOM 710 N LEU 94 38.538 31.846 29.129 1.00 0.00 ATOM 711 CA LEU 94 37.840 30.561 29.130 1.00 0.00 ATOM 712 CB LEU 94 37.183 30.311 30.482 1.00 0.00 ATOM 713 CG LEU 94 38.137 30.328 31.689 1.00 0.00 ATOM 714 CD1 LEU 94 37.426 29.905 32.953 1.00 0.00 ATOM 715 CD2 LEU 94 39.357 29.452 31.478 1.00 0.00 ATOM 716 O LEU 94 36.127 31.546 27.773 1.00 0.00 ATOM 717 C LEU 94 36.781 30.542 28.033 1.00 0.00 ATOM 718 N ASP 95 36.613 29.384 27.397 1.00 0.00 ATOM 719 CA ASP 95 35.652 29.225 26.317 1.00 0.00 ATOM 720 CB ASP 95 35.983 27.911 25.586 1.00 0.00 ATOM 721 CG ASP 95 35.225 27.736 24.282 1.00 0.00 ATOM 722 OD1 ASP 95 35.901 27.498 23.254 1.00 0.00 ATOM 723 OD2 ASP 95 33.972 27.781 24.273 1.00 0.00 ATOM 724 O ASP 95 34.019 28.316 27.800 1.00 0.00 ATOM 725 C ASP 95 34.254 29.134 26.914 1.00 0.00 ATOM 726 N LEU 96 33.327 29.950 26.414 1.00 0.00 ATOM 727 CA LEU 96 31.933 29.924 26.896 1.00 0.00 ATOM 728 CB LEU 96 31.040 30.896 26.104 1.00 0.00 ATOM 729 CG LEU 96 29.578 31.047 26.544 1.00 0.00 ATOM 730 CD1 LEU 96 29.450 31.439 28.012 1.00 0.00 ATOM 731 CD2 LEU 96 28.905 32.107 25.673 1.00 0.00 ATOM 732 O LEU 96 30.507 28.208 27.782 1.00 0.00 ATOM 733 C LEU 96 31.310 28.525 26.899 1.00 0.00 ATOM 734 N THR 97 31.691 27.685 25.940 1.00 0.00 ATOM 735 CA THR 97 31.134 26.313 25.892 1.00 0.00 ATOM 736 CB THR 97 31.512 25.558 24.606 1.00 0.00 ATOM 737 CG2 THR 97 31.012 26.311 23.381 1.00 0.00 ATOM 738 OG1 THR 97 32.935 25.386 24.536 1.00 0.00 ATOM 739 O THR 97 30.928 24.392 27.313 1.00 0.00 ATOM 740 C THR 97 31.550 25.432 27.076 1.00 0.00 ATOM 741 N GLN 98 32.595 25.846 27.788 1.00 0.00 ATOM 742 CA GLN 98 33.157 25.076 28.899 1.00 0.00 ATOM 743 CB GLN 98 34.639 24.795 28.637 1.00 0.00 ATOM 744 CG GLN 98 34.930 24.095 27.304 1.00 0.00 ATOM 745 CD GLN 98 36.361 24.297 26.831 1.00 0.00 ATOM 746 OE1 GLN 98 37.265 24.578 27.629 1.00 0.00 ATOM 747 NE2 GLN 98 36.575 24.169 25.521 1.00 0.00 ATOM 748 O GLN 98 33.588 25.351 31.250 1.00 0.00 ATOM 749 C GLN 98 33.025 25.802 30.244 1.00 0.00 ATOM 750 N TYR 99 32.320 26.928 30.265 1.00 0.00 ATOM 751 CA TYR 99 32.288 27.759 31.464 1.00 0.00 ATOM 752 CB TYR 99 32.515 29.240 31.133 1.00 0.00 ATOM 753 CG TYR 99 32.623 30.094 32.389 1.00 0.00 ATOM 754 CD1 TYR 99 33.748 30.016 33.215 1.00 0.00 ATOM 755 CD2 TYR 99 31.600 30.973 32.751 1.00 0.00 ATOM 756 CE1 TYR 99 33.851 30.791 34.386 1.00 0.00 ATOM 757 CE2 TYR 99 31.684 31.754 33.906 1.00 0.00 ATOM 758 CZ TYR 99 32.809 31.654 34.729 1.00 0.00 ATOM 759 OH TYR 99 32.891 32.419 35.874 1.00 0.00 ATOM 760 O TYR 99 29.903 27.771 31.696 1.00 0.00 ATOM 761 C TYR 99 30.990 27.602 32.246 1.00 0.00 ATOM 762 N CYS 100 31.126 27.293 33.532 1.00 0.00 ATOM 763 CA CYS 100 29.990 27.176 34.432 1.00 0.00 ATOM 764 CB CYS 100 30.155 25.935 35.312 1.00 0.00 ATOM 765 SG CYS 100 28.829 25.677 36.486 1.00 0.00 ATOM 766 O CYS 100 30.685 28.728 36.145 1.00 0.00 ATOM 767 C CYS 100 29.842 28.439 35.279 1.00 0.00 ATOM 768 N PHE 101 28.779 29.204 35.020 1.00 0.00 ATOM 769 CA PHE 101 28.562 30.463 35.731 1.00 0.00 ATOM 770 CB PHE 101 27.419 31.270 35.130 1.00 0.00 ATOM 771 CG PHE 101 27.745 31.865 33.815 1.00 0.00 ATOM 772 CD1 PHE 101 28.280 33.146 33.745 1.00 0.00 ATOM 773 CD2 PHE 101 27.507 31.152 32.644 1.00 0.00 ATOM 774 CE1 PHE 101 28.606 33.721 32.497 1.00 0.00 ATOM 775 CE2 PHE 101 27.816 31.717 31.387 1.00 0.00 ATOM 776 CZ PHE 101 28.365 33.010 31.324 1.00 0.00 ATOM 777 O PHE 101 27.345 29.515 37.551 1.00 0.00 ATOM 778 C PHE 101 28.234 30.299 37.199 1.00 0.00 ATOM 779 N PRO 102 28.919 31.071 38.049 1.00 0.00 ATOM 780 CA PRO 102 28.454 31.170 39.428 1.00 0.00 ATOM 781 CB PRO 102 29.543 32.010 40.111 1.00 0.00 ATOM 782 CG PRO 102 30.707 31.975 39.207 1.00 0.00 ATOM 783 CD PRO 102 30.129 31.876 37.819 1.00 0.00 ATOM 784 O PRO 102 26.807 32.736 38.653 1.00 0.00 ATOM 785 C PRO 102 27.131 31.911 39.507 1.00 0.00 ATOM 786 N GLU 103 26.355 31.643 40.548 1.00 0.00 ATOM 787 CA GLU 103 25.095 32.322 40.694 1.00 0.00 ATOM 788 CB GLU 103 24.451 31.890 42.003 1.00 0.00 ATOM 789 CG GLU 103 23.042 32.325 42.162 1.00 0.00 ATOM 790 CD GLU 103 22.457 31.809 43.466 1.00 0.00 ATOM 791 OE1 GLU 103 23.220 31.222 44.276 1.00 0.00 ATOM 792 OE2 GLU 103 21.245 31.981 43.672 1.00 0.00 ATOM 793 O GLU 103 24.576 34.545 39.965 1.00 0.00 ATOM 794 C GLU 103 25.268 33.843 40.681 1.00 0.00 ATOM 795 N LYS 104 26.211 34.345 41.478 1.00 0.00 ATOM 796 CA LYS 104 26.482 35.770 41.519 1.00 0.00 ATOM 797 CB LYS 104 26.963 36.198 42.903 1.00 0.00 ATOM 798 CG LYS 104 25.872 36.290 43.923 1.00 0.00 ATOM 799 CD LYS 104 26.507 36.741 45.233 1.00 0.00 ATOM 800 CE LYS 104 25.727 36.258 46.387 1.00 0.00 ATOM 801 NZ LYS 104 26.507 36.581 47.604 1.00 0.00 ATOM 802 O LYS 104 28.749 36.088 40.772 1.00 0.00 ATOM 803 C LYS 104 27.535 36.090 40.476 1.00 0.00 ATOM 804 N SER 105 27.062 36.311 39.243 1.00 0.00 ATOM 805 CA SER 105 27.950 36.653 38.118 1.00 0.00 ATOM 806 CB SER 105 27.618 35.822 36.863 1.00 0.00 ATOM 807 OG SER 105 28.006 34.459 36.977 1.00 0.00 ATOM 808 O SER 105 26.629 38.595 37.659 1.00 0.00 ATOM 809 C SER 105 27.766 38.112 37.773 1.00 0.00 ATOM 810 N LEU 106 28.890 38.798 37.565 1.00 0.00 ATOM 811 CA LEU 106 28.875 40.154 37.049 1.00 0.00 ATOM 812 CB LEU 106 29.544 41.096 38.050 1.00 0.00 ATOM 813 CG LEU 106 29.631 42.571 37.653 1.00 0.00 ATOM 814 CD1 LEU 106 29.711 43.445 38.888 1.00 0.00 ATOM 815 CD2 LEU 106 30.830 42.814 36.755 1.00 0.00 ATOM 816 O LEU 106 30.765 39.680 35.660 1.00 0.00 ATOM 817 C LEU 106 29.624 40.146 35.721 1.00 0.00 ATOM 818 N LEU 107 28.957 40.630 34.673 1.00 0.00 ATOM 819 CA LEU 107 29.534 40.585 33.317 1.00 0.00 ATOM 820 CB LEU 107 28.474 40.171 32.295 1.00 0.00 ATOM 821 CG LEU 107 27.753 38.862 32.596 1.00 0.00 ATOM 822 CD1 LEU 107 26.719 38.563 31.499 1.00 0.00 ATOM 823 CD2 LEU 107 28.738 37.707 32.727 1.00 0.00 ATOM 824 O LEU 107 29.277 42.906 32.911 1.00 0.00 ATOM 825 C LEU 107 30.054 41.960 32.957 1.00 0.00 ATOM 826 N LEU 108 31.353 42.071 32.671 1.00 0.00 ATOM 827 CA LEU 108 31.922 43.359 32.265 1.00 0.00 ATOM 828 CB LEU 108 33.237 43.643 33.008 1.00 0.00 ATOM 829 CG LEU 108 33.931 44.958 32.638 1.00 0.00 ATOM 830 CD1 LEU 108 33.083 46.186 33.013 1.00 0.00 ATOM 831 CD2 LEU 108 35.297 45.068 33.325 1.00 0.00 ATOM 832 O LEU 108 32.998 42.549 30.284 1.00 0.00 ATOM 833 C LEU 108 32.160 43.316 30.756 1.00 0.00 ATOM 834 N LEU 109 31.383 44.107 30.018 1.00 0.00 ATOM 835 CA LEU 109 31.529 44.190 28.556 1.00 0.00 ATOM 836 CB LEU 109 30.167 44.474 27.913 1.00 0.00 ATOM 837 CG LEU 109 29.149 43.336 28.072 1.00 0.00 ATOM 838 CD1 LEU 109 27.736 43.909 27.889 1.00 0.00 ATOM 839 CD2 LEU 109 29.436 42.240 27.070 1.00 0.00 ATOM 840 O LEU 109 32.718 46.261 28.871 1.00 0.00 ATOM 841 C LEU 109 32.537 45.268 28.159 1.00 0.00 ATOM 842 N GLY 110 33.202 45.073 27.021 1.00 0.00 ATOM 843 CA GLY 110 34.217 46.029 26.592 1.00 0.00 ATOM 844 O GLY 110 32.560 47.097 25.202 1.00 0.00 ATOM 845 C GLY 110 33.669 47.162 25.741 1.00 0.00 ATOM 846 N ASN 111 34.482 48.204 25.599 1.00 0.00 ATOM 847 CA ASN 111 34.188 49.286 24.665 1.00 0.00 ATOM 848 CB ASN 111 35.256 50.349 24.852 1.00 0.00 ATOM 849 CG ASN 111 35.088 51.504 23.915 1.00 0.00 ATOM 850 ND2 ASN 111 34.130 52.372 24.206 1.00 0.00 ATOM 851 OD1 ASN 111 35.807 51.607 22.922 1.00 0.00 ATOM 852 O ASN 111 34.928 47.881 22.858 1.00 0.00 ATOM 853 C ASN 111 34.190 48.796 23.207 1.00 0.00 ATOM 854 N GLU 112 33.363 49.397 22.352 1.00 0.00 ATOM 855 CA GLU 112 33.244 48.945 20.963 1.00 0.00 ATOM 856 CB GLU 112 32.216 49.794 20.188 1.00 0.00 ATOM 857 CG GLU 112 30.764 49.648 20.659 1.00 0.00 ATOM 858 CD GLU 112 30.352 50.642 21.738 1.00 0.00 ATOM 859 OE1 GLU 112 31.206 51.125 22.523 1.00 0.00 ATOM 860 OE2 GLU 112 29.144 50.945 21.799 1.00 0.00 ATOM 861 O GLU 112 34.858 48.149 19.383 1.00 0.00 ATOM 862 C GLU 112 34.581 48.990 20.225 1.00 0.00 ATOM 863 N ARG 113 35.381 49.999 20.526 1.00 0.00 ATOM 864 CA ARG 113 36.651 50.216 19.834 1.00 0.00 ATOM 865 CB ARG 113 36.888 51.723 19.644 1.00 0.00 ATOM 866 CG ARG 113 36.234 52.313 18.406 1.00 0.00 ATOM 867 CD ARG 113 36.627 53.792 18.194 1.00 0.00 ATOM 868 NE ARG 113 35.638 54.720 18.759 1.00 0.00 ATOM 869 CZ ARG 113 35.782 56.045 18.813 1.00 0.00 ATOM 870 NH1 ARG 113 36.883 56.629 18.350 1.00 0.00 ATOM 871 NH2 ARG 113 34.821 56.797 19.343 1.00 0.00 ATOM 872 O ARG 113 38.657 48.916 20.057 1.00 0.00 ATOM 873 C ARG 113 37.805 49.607 20.618 1.00 0.00 ATOM 874 N GLU 114 37.806 49.852 21.926 1.00 0.00 ATOM 875 CA GLU 114 38.970 49.602 22.768 1.00 0.00 ATOM 876 CB GLU 114 39.155 50.752 23.765 1.00 0.00 ATOM 877 CG GLU 114 38.882 52.172 23.223 1.00 0.00 ATOM 878 CD GLU 114 39.994 52.725 22.344 1.00 0.00 ATOM 879 OE1 GLU 114 40.726 51.932 21.705 1.00 0.00 ATOM 880 OE2 GLU 114 40.124 53.974 22.280 1.00 0.00 ATOM 881 O GLU 114 39.897 47.878 24.145 1.00 0.00 ATOM 882 C GLU 114 38.901 48.287 23.555 1.00 0.00 ATOM 883 N GLY 115 37.739 47.634 23.587 1.00 0.00 ATOM 884 CA GLY 115 37.598 46.432 24.444 1.00 0.00 ATOM 885 O GLY 115 37.319 47.891 26.330 1.00 0.00 ATOM 886 C GLY 115 37.682 46.789 25.927 1.00 0.00 ATOM 887 N ILE 116 38.174 45.860 26.748 1.00 0.00 ATOM 888 CA ILE 116 38.349 46.129 28.173 1.00 0.00 ATOM 889 CB ILE 116 38.138 44.840 29.024 1.00 0.00 ATOM 890 CG1 ILE 116 36.731 44.246 28.795 1.00 0.00 ATOM 891 CG2 ILE 116 38.351 45.141 30.508 1.00 0.00 ATOM 892 CD1 ILE 116 36.482 42.953 29.554 1.00 0.00 ATOM 893 O ILE 116 40.736 46.110 27.982 1.00 0.00 ATOM 894 C ILE 116 39.759 46.717 28.403 1.00 0.00 ATOM 895 N PRO 117 39.866 47.905 29.022 1.00 0.00 ATOM 896 CA PRO 117 41.223 48.460 29.230 1.00 0.00 ATOM 897 CB PRO 117 40.954 49.841 29.810 1.00 0.00 ATOM 898 CG PRO 117 39.577 49.763 30.409 1.00 0.00 ATOM 899 CD PRO 117 38.814 48.810 29.527 1.00 0.00 ATOM 900 O PRO 117 41.500 46.994 31.101 1.00 0.00 ATOM 901 C PRO 117 42.054 47.644 30.221 1.00 0.00 ATOM 902 N ALA 118 43.380 47.708 30.093 1.00 0.00 ATOM 903 CA ALA 118 44.282 46.953 30.977 1.00 0.00 ATOM 904 CB ALA 118 45.746 47.263 30.630 1.00 0.00 ATOM 905 O ALA 118 44.079 46.142 33.220 1.00 0.00 ATOM 906 C ALA 118 44.048 47.126 32.479 1.00 0.00 ATOM 907 N ASN 119 43.791 48.353 32.922 1.00 0.00 ATOM 908 CA ASN 119 43.525 48.616 34.343 1.00 0.00 ATOM 909 CB ASN 119 43.395 50.125 34.624 1.00 0.00 ATOM 910 CG ASN 119 42.068 50.707 34.158 1.00 0.00 ATOM 911 ND2 ASN 119 41.389 51.423 35.053 1.00 0.00 ATOM 912 OD1 ASN 119 41.672 50.543 33.009 1.00 0.00 ATOM 913 O ASN 119 42.232 47.558 36.071 1.00 0.00 ATOM 914 C ASN 119 42.319 47.851 34.872 1.00 0.00 ATOM 915 N LEU 120 41.390 47.505 33.983 1.00 0.00 ATOM 916 CA LEU 120 40.256 46.699 34.405 1.00 0.00 ATOM 917 CB LEU 120 38.973 47.117 33.700 1.00 0.00 ATOM 918 CG LEU 120 38.530 48.541 34.052 1.00 0.00 ATOM 919 CD1 LEU 120 37.242 48.863 33.345 1.00 0.00 ATOM 920 CD2 LEU 120 38.378 48.729 35.550 1.00 0.00 ATOM 921 O LEU 120 39.976 44.423 35.027 1.00 0.00 ATOM 922 C LEU 120 40.496 45.204 34.250 1.00 0.00 ATOM 923 N ILE 121 41.287 44.807 33.252 1.00 0.00 ATOM 924 CA ILE 121 41.659 43.402 33.122 1.00 0.00 ATOM 925 CB ILE 121 42.657 43.161 31.969 1.00 0.00 ATOM 926 CG1 ILE 121 42.047 43.544 30.612 1.00 0.00 ATOM 927 CG2 ILE 121 43.077 41.684 31.960 1.00 0.00 ATOM 928 CD1 ILE 121 41.017 42.552 30.061 1.00 0.00 ATOM 929 O ILE 121 41.994 41.757 34.856 1.00 0.00 ATOM 930 C ILE 121 42.262 42.883 34.441 1.00 0.00 ATOM 931 N GLN 122 43.073 43.720 35.083 1.00 0.00 ATOM 932 CA GLN 122 43.633 43.446 36.410 1.00 0.00 ATOM 933 CB GLN 122 44.380 44.674 36.914 1.00 0.00 ATOM 934 CG GLN 122 45.614 45.060 36.133 1.00 0.00 ATOM 935 CD GLN 122 46.585 45.880 36.986 1.00 0.00 ATOM 936 OE1 GLN 122 47.761 45.993 36.654 1.00 0.00 ATOM 937 NE2 GLN 122 46.095 46.439 38.099 1.00 0.00 ATOM 938 O GLN 122 42.928 42.397 38.447 1.00 0.00 ATOM 939 C GLN 122 42.611 43.105 37.492 1.00 0.00 ATOM 940 N GLN 123 41.409 43.667 37.372 1.00 0.00 ATOM 941 CA GLN 123 40.374 43.517 38.390 1.00 0.00 ATOM 942 CB GLN 123 39.494 44.778 38.449 1.00 0.00 ATOM 943 CG GLN 123 40.227 46.063 38.838 1.00 0.00 ATOM 944 CD GLN 123 40.892 45.983 40.203 1.00 0.00 ATOM 945 OE1 GLN 123 40.290 45.517 41.173 1.00 0.00 ATOM 946 NE2 GLN 123 42.147 46.431 40.279 1.00 0.00 ATOM 947 O GLN 123 38.676 41.943 39.014 1.00 0.00 ATOM 948 C GLN 123 39.495 42.285 38.163 1.00 0.00 ATOM 949 N LEU 124 39.667 41.625 37.021 1.00 0.00 ATOM 950 CA LEU 124 38.831 40.472 36.663 1.00 0.00 ATOM 951 CB LEU 124 38.972 40.151 35.166 1.00 0.00 ATOM 952 CG LEU 124 38.658 41.298 34.198 1.00 0.00 ATOM 953 CD1 LEU 124 38.979 40.813 32.795 1.00 0.00 ATOM 954 CD2 LEU 124 37.213 41.716 34.305 1.00 0.00 ATOM 955 O LEU 124 40.340 38.989 37.776 1.00 0.00 ATOM 956 C LEU 124 39.169 39.228 37.460 1.00 0.00 ATOM 957 N ASP 125 38.145 38.443 37.792 1.00 0.00 ATOM 958 CA ASP 125 38.361 37.111 38.354 1.00 0.00 ATOM 959 CB ASP 125 37.183 36.679 39.233 1.00 0.00 ATOM 960 CG ASP 125 37.080 37.510 40.504 1.00 0.00 ATOM 961 OD1 ASP 125 38.133 37.673 41.172 1.00 0.00 ATOM 962 OD2 ASP 125 35.969 38.008 40.821 1.00 0.00 ATOM 963 O ASP 125 39.412 35.165 37.434 1.00 0.00 ATOM 964 C ASP 125 38.622 36.096 37.257 1.00 0.00 ATOM 965 N VAL 126 37.957 36.287 36.116 1.00 0.00 ATOM 966 CA VAL 126 38.073 35.376 34.985 1.00 0.00 ATOM 967 CB VAL 126 37.126 34.146 35.169 1.00 0.00 ATOM 968 CG1 VAL 126 35.665 34.549 35.090 1.00 0.00 ATOM 969 CG2 VAL 126 37.434 33.023 34.190 1.00 0.00 ATOM 970 O VAL 126 37.021 37.216 33.877 1.00 0.00 ATOM 971 C VAL 126 37.677 36.186 33.753 1.00 0.00 ATOM 972 N CYS 127 38.119 35.720 32.588 1.00 0.00 ATOM 973 CA CYS 127 37.696 36.263 31.304 1.00 0.00 ATOM 974 CB CYS 127 38.904 36.723 30.494 1.00 0.00 ATOM 975 SG CYS 127 39.544 38.296 31.027 1.00 0.00 ATOM 976 O CYS 127 37.418 33.984 30.650 1.00 0.00 ATOM 977 C CYS 127 36.996 35.144 30.567 1.00 0.00 ATOM 978 N VAL 128 35.919 35.481 29.867 1.00 0.00 ATOM 979 CA VAL 128 35.193 34.469 29.101 1.00 0.00 ATOM 980 CB VAL 128 33.819 34.107 29.752 1.00 0.00 ATOM 981 CG1 VAL 128 32.981 33.187 28.846 1.00 0.00 ATOM 982 CG2 VAL 128 34.063 33.443 31.100 1.00 0.00 ATOM 983 O VAL 128 34.724 36.110 27.429 1.00 0.00 ATOM 984 C VAL 128 35.039 34.949 27.665 1.00 0.00 ATOM 985 N GLU 129 35.313 34.047 26.724 1.00 0.00 ATOM 986 CA GLU 129 35.190 34.373 25.310 1.00 0.00 ATOM 987 CB GLU 129 36.563 34.436 24.617 1.00 0.00 ATOM 988 CG GLU 129 37.251 33.115 24.441 1.00 0.00 ATOM 989 CD GLU 129 38.600 33.227 23.696 1.00 0.00 ATOM 990 OE1 GLU 129 39.165 34.340 23.556 1.00 0.00 ATOM 991 OE2 GLU 129 39.102 32.166 23.253 1.00 0.00 ATOM 992 O GLU 129 34.120 32.223 24.931 1.00 0.00 ATOM 993 C GLU 129 34.231 33.426 24.600 1.00 0.00 ATOM 994 N ILE 130 33.524 33.987 23.634 1.00 0.00 ATOM 995 CA ILE 130 32.637 33.216 22.762 1.00 0.00 ATOM 996 CB ILE 130 31.542 34.135 22.211 1.00 0.00 ATOM 997 CG1 ILE 130 30.727 34.753 23.371 1.00 0.00 ATOM 998 CG2 ILE 130 30.627 33.378 21.271 1.00 0.00 ATOM 999 CD1 ILE 130 30.045 36.066 23.028 1.00 0.00 ATOM 1000 O ILE 130 34.093 33.516 20.920 1.00 0.00 ATOM 1001 C ILE 130 33.485 32.711 21.603 1.00 0.00 ATOM 1002 N PRO 131 33.521 31.382 21.375 1.00 0.00 ATOM 1003 CA PRO 131 34.352 30.870 20.250 1.00 0.00 ATOM 1004 CB PRO 131 34.285 29.347 20.416 1.00 0.00 ATOM 1005 CG PRO 131 32.991 29.108 21.161 1.00 0.00 ATOM 1006 CD PRO 131 32.835 30.300 22.102 1.00 0.00 ATOM 1007 O PRO 131 32.551 31.284 18.718 1.00 0.00 ATOM 1008 C PRO 131 33.772 31.284 18.891 1.00 0.00 ATOM 1009 N GLN 132 34.640 31.618 17.941 1.00 0.00 ATOM 1010 CA GLN 132 34.214 32.065 16.609 1.00 0.00 ATOM 1011 CB GLN 132 34.672 33.501 16.348 1.00 0.00 ATOM 1012 CG GLN 132 34.130 34.522 17.344 1.00 0.00 ATOM 1013 CD GLN 132 34.446 35.940 16.968 1.00 0.00 ATOM 1014 OE1 GLN 132 35.095 36.218 15.936 1.00 0.00 ATOM 1015 NE2 GLN 132 33.992 36.856 17.775 1.00 0.00 ATOM 1016 O GLN 132 35.777 30.450 15.757 1.00 0.00 ATOM 1017 C GLN 132 34.771 31.128 15.534 1.00 0.00 ATOM 1018 N GLN 133 34.107 31.085 14.380 1.00 0.00 ATOM 1019 CA GLN 133 34.530 30.198 13.291 1.00 0.00 ATOM 1020 CB GLN 133 33.415 29.237 12.949 1.00 0.00 ATOM 1021 CG GLN 133 32.958 28.370 14.072 1.00 0.00 ATOM 1022 CD GLN 133 31.735 27.587 13.689 1.00 0.00 ATOM 1023 OE1 GLN 133 31.569 27.184 12.527 1.00 0.00 ATOM 1024 NE2 GLN 133 30.863 27.360 14.658 1.00 0.00 ATOM 1025 O GLN 133 35.717 30.461 11.219 1.00 0.00 ATOM 1026 C GLN 133 34.902 30.946 12.020 1.00 0.00 ATOM 1027 N GLY 134 34.309 32.115 11.816 1.00 0.00 ATOM 1028 CA GLY 134 34.495 32.842 10.570 1.00 0.00 ATOM 1029 O GLY 134 36.674 33.588 11.309 1.00 0.00 ATOM 1030 C GLY 134 35.726 33.733 10.516 1.00 0.00 ATOM 1031 N ILE 135 35.685 34.684 9.586 1.00 0.00 ATOM 1032 CA ILE 135 36.774 35.613 9.323 1.00 0.00 ATOM 1033 CB ILE 135 36.821 35.968 7.798 1.00 0.00 ATOM 1034 CG1 ILE 135 36.971 34.705 6.942 1.00 0.00 ATOM 1035 CG2 ILE 135 37.891 36.997 7.503 1.00 0.00 ATOM 1036 CD1 ILE 135 38.097 33.758 7.336 1.00 0.00 ATOM 1037 O ILE 135 37.719 37.488 10.511 1.00 0.00 ATOM 1038 C ILE 135 36.693 36.914 10.130 1.00 0.00 ATOM 1039 N ILE 136 35.468 37.386 10.375 1.00 0.00 ATOM 1040 CA ILE 136 35.258 38.630 11.097 1.00 0.00 ATOM 1041 CB ILE 136 33.761 39.053 11.092 1.00 0.00 ATOM 1042 CG1 ILE 136 33.284 39.359 9.664 1.00 0.00 ATOM 1043 CG2 ILE 136 33.518 40.247 12.010 1.00 0.00 ATOM 1044 CD1 ILE 136 34.091 40.388 8.922 1.00 0.00 ATOM 1045 O ILE 136 35.634 37.450 13.178 1.00 0.00 ATOM 1046 C ILE 136 35.810 38.485 12.531 1.00 0.00 ATOM 1047 N ARG 137 36.483 39.521 13.005 1.00 0.00 ATOM 1048 CA ARG 137 37.284 39.395 14.231 1.00 0.00 ATOM 1049 CB ARG 137 38.296 40.545 14.348 1.00 0.00 ATOM 1050 CG ARG 137 37.732 41.955 14.344 1.00 0.00 ATOM 1051 CD ARG 137 38.846 42.981 14.044 1.00 0.00 ATOM 1052 NE ARG 137 40.029 42.735 14.876 1.00 0.00 ATOM 1053 CZ ARG 137 41.283 43.023 14.529 1.00 0.00 ATOM 1054 NH1 ARG 137 41.548 43.600 13.359 1.00 0.00 ATOM 1055 NH2 ARG 137 42.277 42.739 15.362 1.00 0.00 ATOM 1056 O ARG 137 36.977 38.697 16.488 1.00 0.00 ATOM 1057 C ARG 137 36.490 39.282 15.524 1.00 0.00 ATOM 1058 N SER 138 35.295 39.856 15.548 1.00 0.00 ATOM 1059 CA SER 138 34.534 39.965 16.811 1.00 0.00 ATOM 1060 CB SER 138 34.988 41.199 17.577 1.00 0.00 ATOM 1061 OG SER 138 34.694 42.388 16.855 1.00 0.00 ATOM 1062 O SER 138 32.633 40.408 15.439 1.00 0.00 ATOM 1063 C SER 138 33.041 40.065 16.540 1.00 0.00 ATOM 1064 N LEU 139 32.240 39.768 17.560 1.00 0.00 ATOM 1065 CA LEU 139 30.817 40.046 17.543 1.00 0.00 ATOM 1066 CB LEU 139 30.106 39.087 18.499 1.00 0.00 ATOM 1067 CG LEU 139 30.112 37.609 18.087 1.00 0.00 ATOM 1068 CD1 LEU 139 29.854 36.747 19.328 1.00 0.00 ATOM 1069 CD2 LEU 139 29.006 37.356 17.034 1.00 0.00 ATOM 1070 O LEU 139 31.395 42.152 18.550 1.00 0.00 ATOM 1071 C LEU 139 30.537 41.491 17.965 1.00 0.00 ATOM 1072 N ASN 140 29.340 41.974 17.665 1.00 0.00 ATOM 1073 CA ASN 140 28.855 43.203 18.245 1.00 0.00 ATOM 1074 CB ASN 140 27.484 43.541 17.657 1.00 0.00 ATOM 1075 CG ASN 140 26.755 44.597 18.441 1.00 0.00 ATOM 1076 ND2 ASN 140 26.941 45.859 18.062 1.00 0.00 ATOM 1077 OD1 ASN 140 26.003 44.279 19.371 1.00 0.00 ATOM 1078 O ASN 140 28.505 41.929 20.293 1.00 0.00 ATOM 1079 C ASN 140 28.779 43.041 19.777 1.00 0.00 ATOM 1080 N VAL 141 29.048 44.128 20.493 1.00 0.00 ATOM 1081 CA VAL 141 29.140 44.032 21.969 1.00 0.00 ATOM 1082 CB VAL 141 29.752 45.303 22.609 1.00 0.00 ATOM 1083 CG1 VAL 141 28.838 46.503 22.424 1.00 0.00 ATOM 1084 CG2 VAL 141 30.071 45.077 24.110 1.00 0.00 ATOM 1085 O VAL 141 27.778 42.891 23.607 1.00 0.00 ATOM 1086 C VAL 141 27.793 43.663 22.637 1.00 0.00 ATOM 1087 N HIS 142 26.678 44.190 22.128 1.00 0.00 ATOM 1088 CA HIS 142 25.341 43.852 22.696 1.00 0.00 ATOM 1089 CB HIS 142 24.248 44.768 22.114 1.00 0.00 ATOM 1090 CG HIS 142 22.838 44.253 22.250 1.00 0.00 ATOM 1091 CD2 HIS 142 21.741 44.471 21.484 1.00 0.00 ATOM 1092 ND1 HIS 142 22.418 43.444 23.293 1.00 0.00 ATOM 1093 CE1 HIS 142 21.131 43.171 23.151 1.00 0.00 ATOM 1094 NE2 HIS 142 20.691 43.800 22.075 1.00 0.00 ATOM 1095 O HIS 142 24.576 41.659 23.295 1.00 0.00 ATOM 1096 C HIS 142 25.039 42.376 22.418 1.00 0.00 ATOM 1097 N VAL 143 25.326 41.918 21.197 1.00 0.00 ATOM 1098 CA VAL 143 25.096 40.509 20.878 1.00 0.00 ATOM 1099 CB VAL 143 25.383 40.216 19.390 1.00 0.00 ATOM 1100 CG1 VAL 143 25.377 38.693 19.110 1.00 0.00 ATOM 1101 CG2 VAL 143 24.351 40.955 18.508 1.00 0.00 ATOM 1102 O VAL 143 25.465 38.607 22.299 1.00 0.00 ATOM 1103 C VAL 143 25.944 39.619 21.789 1.00 0.00 ATOM 1104 N SER 144 27.202 40.006 22.011 1.00 0.00 ATOM 1105 CA SER 144 28.105 39.269 22.921 1.00 0.00 ATOM 1106 CB SER 144 29.464 39.975 23.030 1.00 0.00 ATOM 1107 OG SER 144 30.115 39.980 21.770 1.00 0.00 ATOM 1108 O SER 144 27.408 38.098 24.910 1.00 0.00 ATOM 1109 C SER 144 27.468 39.175 24.318 1.00 0.00 ATOM 1110 N GLY 145 27.002 40.309 24.826 1.00 0.00 ATOM 1111 CA GLY 145 26.344 40.326 26.144 1.00 0.00 ATOM 1112 O GLY 145 24.901 38.681 27.099 1.00 0.00 ATOM 1113 C GLY 145 25.110 39.444 26.153 1.00 0.00 ATOM 1114 N ALA 146 24.302 39.521 25.091 1.00 0.00 ATOM 1115 CA ALA 146 23.090 38.682 25.009 1.00 0.00 ATOM 1116 CB ALA 146 22.308 38.946 23.716 1.00 0.00 ATOM 1117 O ALA 146 22.752 36.443 25.765 1.00 0.00 ATOM 1118 C ALA 146 23.446 37.217 25.103 1.00 0.00 ATOM 1119 N LEU 147 24.518 36.800 24.420 1.00 0.00 ATOM 1120 CA LEU 147 24.858 35.380 24.433 1.00 0.00 ATOM 1121 CB LEU 147 25.956 35.081 23.402 1.00 0.00 ATOM 1122 CG LEU 147 25.539 35.236 21.936 1.00 0.00 ATOM 1123 CD1 LEU 147 26.687 34.720 21.084 1.00 0.00 ATOM 1124 CD2 LEU 147 24.283 34.451 21.611 1.00 0.00 ATOM 1125 O LEU 147 24.930 33.792 26.241 1.00 0.00 ATOM 1126 C LEU 147 25.273 34.906 25.830 1.00 0.00 ATOM 1127 N LEU 148 26.017 35.736 26.561 1.00 0.00 ATOM 1128 CA LEU 148 26.395 35.339 27.935 1.00 0.00 ATOM 1129 CB LEU 148 27.564 36.163 28.479 1.00 0.00 ATOM 1130 CG LEU 148 28.910 35.536 28.097 1.00 0.00 ATOM 1131 CD1 LEU 148 29.242 35.862 26.627 1.00 0.00 ATOM 1132 CD2 LEU 148 30.054 35.917 29.001 1.00 0.00 ATOM 1133 O LEU 148 25.100 34.538 29.759 1.00 0.00 ATOM 1134 C LEU 148 25.212 35.389 28.887 1.00 0.00 ATOM 1135 N ILE 149 24.345 36.385 28.719 1.00 0.00 ATOM 1136 CA ILE 149 23.125 36.466 29.547 1.00 0.00 ATOM 1137 CB ILE 149 22.338 37.737 29.267 1.00 0.00 ATOM 1138 CG1 ILE 149 23.145 38.983 29.702 1.00 0.00 ATOM 1139 CG2 ILE 149 20.952 37.692 29.948 1.00 0.00 ATOM 1140 CD1 ILE 149 22.642 40.295 29.072 1.00 0.00 ATOM 1141 O ILE 149 21.780 34.604 30.277 1.00 0.00 ATOM 1142 C ILE 149 22.270 35.215 29.316 1.00 0.00 ATOM 1143 N TRP 150 22.126 34.818 28.051 1.00 0.00 ATOM 1144 CA TRP 150 21.400 33.595 27.716 1.00 0.00 ATOM 1145 CB TRP 150 21.278 33.405 26.186 1.00 0.00 ATOM 1146 CG TRP 150 21.022 31.971 25.802 1.00 0.00 ATOM 1147 CD1 TRP 150 21.907 31.099 25.255 1.00 0.00 ATOM 1148 CD2 TRP 150 19.813 31.235 26.008 1.00 0.00 ATOM 1149 CE2 TRP 150 20.044 29.918 25.561 1.00 0.00 ATOM 1150 CE3 TRP 150 18.566 31.559 26.550 1.00 0.00 ATOM 1151 NE1 TRP 150 21.328 29.854 25.104 1.00 0.00 ATOM 1152 CZ2 TRP 150 19.060 28.923 25.613 1.00 0.00 ATOM 1153 CZ3 TRP 150 17.576 30.557 26.593 1.00 0.00 ATOM 1154 CH2 TRP 150 17.847 29.271 26.140 1.00 0.00 ATOM 1155 O TRP 150 21.375 31.551 28.956 1.00 0.00 ATOM 1156 C TRP 150 22.057 32.363 28.330 1.00 0.00 ATOM 1157 N GLU 151 23.371 32.207 28.171 1.00 0.00 ATOM 1158 CA GLU 151 24.028 31.005 28.679 1.00 0.00 ATOM 1159 CB GLU 151 25.488 30.885 28.206 1.00 0.00 ATOM 1160 CG GLU 151 26.192 29.624 28.672 1.00 0.00 ATOM 1161 CD GLU 151 25.611 28.327 28.125 1.00 0.00 ATOM 1162 OE1 GLU 151 24.829 28.346 27.130 1.00 0.00 ATOM 1163 OE2 GLU 151 25.945 27.287 28.706 1.00 0.00 ATOM 1164 O GLU 151 23.652 29.852 30.740 1.00 0.00 ATOM 1165 C GLU 151 23.922 30.915 30.207 1.00 0.00 ATOM 1166 N TYR 152 24.076 32.052 30.877 1.00 0.00 ATOM 1167 CA TYR 152 23.875 32.156 32.330 1.00 0.00 ATOM 1168 CB TYR 152 24.086 33.596 32.805 1.00 0.00 ATOM 1169 CG TYR 152 23.708 33.800 34.250 1.00 0.00 ATOM 1170 CD1 TYR 152 24.655 33.621 35.269 1.00 0.00 ATOM 1171 CD2 TYR 152 22.408 34.178 34.594 1.00 0.00 ATOM 1172 CE1 TYR 152 24.299 33.802 36.621 1.00 0.00 ATOM 1173 CE2 TYR 152 22.036 34.351 35.929 1.00 0.00 ATOM 1174 CZ TYR 152 22.987 34.162 36.925 1.00 0.00 ATOM 1175 OH TYR 152 22.595 34.358 38.240 1.00 0.00 ATOM 1176 O TYR 152 22.277 30.822 33.543 1.00 0.00 ATOM 1177 C TYR 152 22.462 31.693 32.672 1.00 0.00 ATOM 1178 N THR 153 21.486 32.235 31.942 1.00 0.00 ATOM 1179 CA THR 153 20.072 31.931 32.189 1.00 0.00 ATOM 1180 CB THR 153 19.173 32.791 31.310 1.00 0.00 ATOM 1181 CG2 THR 153 17.693 32.447 31.552 1.00 0.00 ATOM 1182 OG1 THR 153 19.410 34.170 31.615 1.00 0.00 ATOM 1183 O THR 153 19.122 29.807 32.800 1.00 0.00 ATOM 1184 C THR 153 19.765 30.442 31.964 1.00 0.00 ATOM 1185 N ARG 154 20.238 29.888 30.849 1.00 0.00 ATOM 1186 CA ARG 154 20.051 28.466 30.525 1.00 0.00 ATOM 1187 CB ARG 154 20.731 28.151 29.185 1.00 0.00 ATOM 1188 CG ARG 154 20.443 26.757 28.631 1.00 0.00 ATOM 1189 CD ARG 154 21.380 26.416 27.470 1.00 0.00 ATOM 1190 NE ARG 154 22.759 26.197 27.905 1.00 0.00 ATOM 1191 CZ ARG 154 23.216 25.055 28.426 1.00 0.00 ATOM 1192 NH1 ARG 154 22.402 24.021 28.619 1.00 0.00 ATOM 1193 NH2 ARG 154 24.492 24.955 28.778 1.00 0.00 ATOM 1194 O ARG 154 20.013 26.566 32.004 1.00 0.00 ATOM 1195 C ARG 154 20.626 27.568 31.619 1.00 0.00 ATOM 1196 N GLN 155 21.807 27.929 32.108 1.00 0.00 ATOM 1197 CA GLN 155 22.477 27.136 33.125 1.00 0.00 ATOM 1198 CB GLN 155 23.920 27.591 33.300 1.00 0.00 ATOM 1199 CG GLN 155 24.788 27.198 32.126 1.00 0.00 ATOM 1200 CD GLN 155 26.252 27.530 32.352 1.00 0.00 ATOM 1201 OE1 GLN 155 26.689 27.680 33.492 1.00 0.00 ATOM 1202 NE2 GLN 155 27.013 27.645 31.265 1.00 0.00 ATOM 1203 O GLN 155 21.630 26.159 35.133 1.00 0.00 ATOM 1204 C GLN 155 21.737 27.176 34.452 1.00 0.00 ATOM 1205 N GLN 156 21.228 28.345 34.812 1.00 0.00 ATOM 1206 CA GLN 156 20.530 28.488 36.090 1.00 0.00 ATOM 1207 CB GLN 156 20.363 29.965 36.457 1.00 0.00 ATOM 1208 CG GLN 156 21.691 30.684 36.741 1.00 0.00 ATOM 1209 CD GLN 156 22.376 30.162 37.999 1.00 0.00 ATOM 1210 OE1 GLN 156 21.765 30.114 39.061 1.00 0.00 ATOM 1211 NE2 GLN 156 23.635 29.767 37.882 1.00 0.00 ATOM 1212 O GLN 156 18.717 27.232 37.053 1.00 0.00 ATOM 1213 C GLN 156 19.188 27.755 36.032 1.00 0.00 ATOM 1214 N LEU 157 18.586 27.706 34.842 1.00 0.00 ATOM 1215 CA LEU 157 17.275 27.067 34.657 1.00 0.00 ATOM 1216 CB LEU 157 16.630 27.488 33.326 1.00 0.00 ATOM 1217 CG LEU 157 15.753 28.743 33.233 1.00 0.00 ATOM 1218 CD1 LEU 157 16.275 29.959 34.022 1.00 0.00 ATOM 1219 CD2 LEU 157 15.537 29.123 31.777 1.00 0.00 ATOM 1220 O LEU 157 16.487 24.870 35.199 1.00 0.00 ATOM 1221 C LEU 157 17.409 25.556 34.743 1.00 0.00 ATOM 1222 N LEU 158 18.569 25.041 34.341 1.00 0.00 ATOM 1223 CA LEU 158 18.814 23.604 34.346 1.00 0.00 ATOM 1224 CB LEU 158 19.852 23.226 33.266 1.00 0.00 ATOM 1225 CG LEU 158 21.251 22.609 33.439 1.00 0.00 ATOM 1226 CD1 LEU 158 21.933 22.566 32.077 1.00 0.00 ATOM 1227 CD2 LEU 158 22.155 23.313 34.449 1.00 0.00 ATOM 1228 O LEU 158 19.220 21.910 36.016 1.00 0.00 ATOM 1229 C LEU 158 19.185 23.115 35.753 1.00 0.00 ATOM 1230 N SER 159 19.438 24.065 36.654 1.00 0.00 ATOM 1231 CA SER 159 19.673 23.765 38.065 1.00 0.00 ATOM 1232 CB SER 159 21.122 24.079 38.446 1.00 0.00 ATOM 1233 OG SER 159 21.416 25.452 38.252 1.00 0.00 ATOM 1234 O SER 159 17.499 24.290 38.966 1.00 0.00 ATOM 1235 C SER 159 18.711 24.542 38.959 1.00 0.00 ENDMDL # command:# Prefix for output files set to decoys/ # command:# request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_1061817388.pdb -s /var/tmp/to_scwrl_1061817388.seq -o /var/tmp/from_scwrl_1061817388.pdb > /var/tmp/scwrl_1061817388.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1061817388.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 133 # copying to AlignedFragments data structure # command:# fraction of real conformation used = 1.000 # GDT_score = -77.830 # GDT_score(maxd=8.000,maxw=2.900)= -82.605 # GDT_score(maxd=8.000,maxw=3.200)= -78.979 # GDT_score(maxd=8.000,maxw=3.500)= -75.165 # GDT_score(maxd=10.000,maxw=3.800)= -77.473 # GDT_score(maxd=10.000,maxw=4.000)= -74.983 # GDT_score(maxd=10.000,maxw=4.200)= -72.536 # GDT_score(maxd=12.000,maxw=4.300)= -76.085 # GDT_score(maxd=12.000,maxw=4.500)= -73.717 # GDT_score(maxd=12.000,maxw=4.700)= -71.394 # GDT_score(maxd=14.000,maxw=5.200)= -69.615 # GDT_score(maxd=14.000,maxw=5.500)= -66.449 # command:# request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_2033999096.pdb -s /var/tmp/to_scwrl_2033999096.seq -o /var/tmp/from_scwrl_2033999096.pdb > /var/tmp/scwrl_2033999096.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2033999096.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 133 # copying to AlignedFragments data structure # command:# fraction of real conformation used = 1.000 # GDT_score = -77.830 # GDT_score(maxd=8.000,maxw=2.900)= -82.582 # GDT_score(maxd=8.000,maxw=3.200)= -78.955 # GDT_score(maxd=8.000,maxw=3.500)= -75.142 # GDT_score(maxd=10.000,maxw=3.800)= -77.451 # GDT_score(maxd=10.000,maxw=4.000)= -74.960 # GDT_score(maxd=10.000,maxw=4.200)= -72.514 # GDT_score(maxd=12.000,maxw=4.300)= -76.062 # GDT_score(maxd=12.000,maxw=4.500)= -73.697 # GDT_score(maxd=12.000,maxw=4.700)= -71.375 # GDT_score(maxd=14.000,maxw=5.200)= -69.600 # GDT_score(maxd=14.000,maxw=5.500)= -66.437 # command:# request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_60715230.pdb -s /var/tmp/to_scwrl_60715230.seq -o /var/tmp/from_scwrl_60715230.pdb > /var/tmp/scwrl_60715230.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_60715230.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 133 # copying to AlignedFragments data structure # command:# fraction of real conformation used = 1.000 # GDT_score = -77.358 # GDT_score(maxd=8.000,maxw=2.900)= -82.491 # GDT_score(maxd=8.000,maxw=3.200)= -78.889 # GDT_score(maxd=8.000,maxw=3.500)= -75.139 # GDT_score(maxd=10.000,maxw=3.800)= -77.411 # GDT_score(maxd=10.000,maxw=4.000)= -74.974 # GDT_score(maxd=10.000,maxw=4.200)= -72.507 # GDT_score(maxd=12.000,maxw=4.300)= -76.078 # GDT_score(maxd=12.000,maxw=4.500)= -73.684 # GDT_score(maxd=12.000,maxw=4.700)= -71.365 # GDT_score(maxd=14.000,maxw=5.200)= -69.632 # GDT_score(maxd=14.000,maxw=5.500)= -66.517 # command:# request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_1704511360.pdb -s /var/tmp/to_scwrl_1704511360.seq -o /var/tmp/from_scwrl_1704511360.pdb > /var/tmp/scwrl_1704511360.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1704511360.pdb # conformation set from SCWRL output # command:# naming current conformation model4-scwrl # command:# ReadConformPDB reading from PDB file model5.ts-submitted looking for model 1 # WARNING: incomplete conformation T0332 can't currently be optimized by undertaker # command:# fraction of real conformation used = 0.950 # GDT_score = -72.956 # GDT_score(maxd=8.000,maxw=2.900)= -75.006 # GDT_score(maxd=8.000,maxw=3.200)= -72.247 # GDT_score(maxd=8.000,maxw=3.500)= -69.465 # GDT_score(maxd=10.000,maxw=3.800)= -71.796 # GDT_score(maxd=10.000,maxw=4.000)= -69.888 # GDT_score(maxd=10.000,maxw=4.200)= -67.915 # GDT_score(maxd=12.000,maxw=4.300)= -71.086 # GDT_score(maxd=12.000,maxw=4.500)= -69.147 # GDT_score(maxd=12.000,maxw=4.700)= -67.175 # GDT_score(maxd=14.000,maxw=5.200)= -65.713 # GDT_score(maxd=14.000,maxw=5.500)= -62.837 # command:# request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_595330561.pdb -s /var/tmp/to_scwrl_595330561.seq -o /var/tmp/from_scwrl_595330561.pdb > /var/tmp/scwrl_595330561.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_595330561.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 T0332.try1-opt2.pdb looking for model 1 # Found a chain break before 140 # copying to AlignedFragments data structure # command:# fraction of real conformation used = 1.000 # GDT_score = -77.830 # GDT_score(maxd=8.000,maxw=2.900)= -82.662 # GDT_score(maxd=8.000,maxw=3.200)= -79.016 # GDT_score(maxd=8.000,maxw=3.500)= -75.194 # GDT_score(maxd=10.000,maxw=3.800)= -77.491 # GDT_score(maxd=10.000,maxw=4.000)= -74.997 # GDT_score(maxd=10.000,maxw=4.200)= -72.519 # GDT_score(maxd=12.000,maxw=4.300)= -76.093 # GDT_score(maxd=12.000,maxw=4.500)= -73.707 # GDT_score(maxd=12.000,maxw=4.700)= -71.381 # GDT_score(maxd=14.000,maxw=5.200)= -69.582 # GDT_score(maxd=14.000,maxw=5.500)= -66.402 # command:# Prefix for output files set to # command:Warning: Couldn't open file T0332.try1-real.pdb for output Error: Couldn't open file T0332.try1-real.pdb for output superimposing iter= 0 total_weight= 1871.000 rmsd (weighted)= 3.223 (unweighted)= 3.452 superimposing iter= 1 total_weight= 6158.518 rmsd (weighted)= 1.292 (unweighted)= 3.480 superimposing iter= 2 total_weight= 2141.321 rmsd (weighted)= 0.964 (unweighted)= 3.505 superimposing iter= 3 total_weight= 1445.177 rmsd (weighted)= 0.883 (unweighted)= 3.523 superimposing iter= 4 total_weight= 1301.347 rmsd (weighted)= 0.855 (unweighted)= 3.536 superimposing iter= 5 total_weight= 1264.111 rmsd (weighted)= 0.841 (unweighted)= 3.545 EXPDTA T0332.try1-opt2.pdb MODEL 1 REMARK 44 REMARK 44 model 1 is called T0332.try1-opt2.pdb ATOM 1 N LEU A 1 12.997 31.473 37.464 1.00 0.00 ATOM 2 CA LEU A 1 14.044 32.062 38.320 1.00 0.00 ATOM 3 CB LEU A 1 14.912 30.966 38.937 1.00 0.00 ATOM 4 CG LEU A 1 14.220 29.999 39.899 1.00 0.00 ATOM 5 CD1 LEU A 1 15.155 28.840 40.236 1.00 0.00 ATOM 6 CD2 LEU A 1 13.780 30.713 41.165 1.00 0.00 ATOM 7 O LEU A 1 15.581 33.874 38.191 1.00 0.00 ATOM 8 C LEU A 1 14.935 33.049 37.573 1.00 0.00 ATOM 9 N GLY A 2 14.964 32.960 36.248 1.00 0.00 ATOM 10 CA GLY A 2 15.791 33.832 35.435 1.00 0.00 ATOM 11 O GLY A 2 16.025 36.096 34.822 1.00 0.00 ATOM 12 C GLY A 2 15.254 35.224 35.214 1.00 0.00 ATOM 13 N LYS A 3 13.958 35.440 35.419 1.00 0.00 ATOM 14 CA LYS A 3 13.346 36.768 35.231 1.00 0.00 ATOM 15 CB LYS A 3 11.833 36.639 35.042 1.00 0.00 ATOM 16 CG LYS A 3 11.427 35.924 33.763 1.00 0.00 ATOM 17 CD LYS A 3 9.914 35.824 33.645 1.00 0.00 ATOM 18 CE LYS A 3 9.507 35.118 32.362 1.00 0.00 ATOM 19 NZ LYS A 3 8.029 34.978 32.250 1.00 0.00 ATOM 20 O LYS A 3 13.187 38.940 36.230 1.00 0.00 ATOM 21 C LYS A 3 13.527 37.770 36.381 1.00 0.00 ATOM 22 N SER A 4 14.012 37.336 37.539 1.00 0.00 ATOM 23 CA SER A 4 14.187 38.252 38.661 1.00 0.00 ATOM 24 CB SER A 4 13.002 38.153 39.623 1.00 0.00 ATOM 25 OG SER A 4 11.810 38.617 39.015 1.00 0.00 ATOM 26 O SER A 4 15.399 37.455 40.557 1.00 0.00 ATOM 27 C SER A 4 15.470 37.900 39.419 1.00 0.00 ATOM 28 N ILE A 5 16.630 38.050 38.771 1.00 0.00 ATOM 29 CA ILE A 5 17.907 37.592 39.308 1.00 0.00 ATOM 30 CB ILE A 5 18.798 36.986 38.208 1.00 0.00 ATOM 31 CG1 ILE A 5 18.076 35.830 37.513 1.00 0.00 ATOM 32 CG2 ILE A 5 20.094 36.457 38.803 1.00 0.00 ATOM 33 CD1 ILE A 5 18.794 35.309 36.288 1.00 0.00 ATOM 34 O ILE A 5 19.347 39.512 39.238 1.00 0.00 ATOM 35 C ILE A 5 18.604 38.809 39.921 1.00 0.00 ATOM 36 N SER A 6 18.342 39.071 41.196 1.00 0.00 ATOM 37 CA SER A 6 18.916 40.238 41.861 1.00 0.00 ATOM 38 CB SER A 6 18.449 40.309 43.316 1.00 0.00 ATOM 39 OG SER A 6 18.967 39.229 44.072 1.00 0.00 ATOM 40 O SER A 6 21.100 41.200 42.091 1.00 0.00 ATOM 41 C SER A 6 20.431 40.196 41.858 1.00 0.00 ATOM 42 N ARG A 7 20.785 38.852 41.755 1.00 0.00 ATOM 43 CA ARG A 7 22.154 38.375 41.800 1.00 0.00 ATOM 44 CB ARG A 7 22.195 36.892 42.176 1.00 0.00 ATOM 45 CG ARG A 7 21.682 36.594 43.577 1.00 0.00 ATOM 46 CD ARG A 7 21.733 35.104 43.877 1.00 0.00 ATOM 47 NE ARG A 7 21.226 34.797 45.212 1.00 0.00 ATOM 48 CZ ARG A 7 20.950 33.571 45.643 1.00 0.00 ATOM 49 NH1 ARG A 7 20.493 33.388 46.874 1.00 0.00 ATOM 50 NH2 ARG A 7 21.132 32.531 44.842 1.00 0.00 ATOM 51 O ARG A 7 24.199 38.335 40.513 1.00 0.00 ATOM 52 C ARG A 7 22.970 38.467 40.498 1.00 0.00 ATOM 53 N LEU A 8 22.286 38.666 39.378 1.00 0.00 ATOM 54 CA LEU A 8 22.944 38.744 38.074 1.00 0.00 ATOM 55 CB LEU A 8 22.081 38.058 37.027 1.00 0.00 ATOM 56 CG LEU A 8 22.605 38.152 35.588 1.00 0.00 ATOM 57 CD1 LEU A 8 24.025 37.605 35.514 1.00 0.00 ATOM 58 CD2 LEU A 8 21.688 37.377 34.652 1.00 0.00 ATOM 59 O LEU A 8 21.998 40.782 37.218 1.00 0.00 ATOM 60 C LEU A 8 23.001 40.214 37.644 1.00 0.00 ATOM 61 N ILE A 9 24.182 40.812 37.762 1.00 0.00 ATOM 62 CA ILE A 9 24.383 42.228 37.454 1.00 0.00 ATOM 63 CB ILE A 9 25.237 42.893 38.540 1.00 0.00 ATOM 64 CG1 ILE A 9 24.572 42.693 39.927 1.00 0.00 ATOM 65 CG2 ILE A 9 25.402 44.376 38.206 1.00 0.00 ATOM 66 CD1 ILE A 9 23.096 43.083 39.979 1.00 0.00 ATOM 67 O ILE A 9 25.936 41.565 35.768 1.00 0.00 ATOM 68 C ILE A 9 25.127 42.405 36.142 1.00 0.00 ATOM 69 N VAL A 10 24.853 43.503 35.447 1.00 0.00 ATOM 70 CA VAL A 10 25.504 43.757 34.166 1.00 0.00 ATOM 71 CB VAL A 10 24.516 43.724 32.985 1.00 0.00 ATOM 72 CG1 VAL A 10 25.229 44.062 31.684 1.00 0.00 ATOM 73 CG2 VAL A 10 23.894 42.343 32.849 1.00 0.00 ATOM 74 O VAL A 10 25.420 46.110 34.600 1.00 0.00 ATOM 75 C VAL A 10 26.140 45.161 34.211 1.00 0.00 ATOM 76 N VAL A 11 27.370 45.197 33.760 1.00 0.00 ATOM 77 CA VAL A 11 28.096 46.502 33.705 1.00 0.00 ATOM 78 CB VAL A 11 29.351 46.446 34.596 1.00 0.00 ATOM 79 CG1 VAL A 11 30.112 47.761 34.526 1.00 0.00 ATOM 80 CG2 VAL A 11 28.964 46.190 36.045 1.00 0.00 ATOM 81 O VAL A 11 29.318 46.028 31.702 1.00 0.00 ATOM 82 C VAL A 11 28.516 46.768 32.274 1.00 0.00 ATOM 83 N ALA A 12 27.986 47.835 31.666 1.00 0.00 ATOM 84 CA ALA A 12 28.323 48.217 30.305 1.00 0.00 ATOM 85 CB ALA A 12 27.026 48.525 29.544 1.00 0.00 ATOM 86 O ALA A 12 29.382 50.323 30.795 1.00 0.00 ATOM 87 C ALA A 12 29.500 49.187 30.333 1.00 0.00 ATOM 88 N SER A 13 30.637 48.724 29.833 1.00 0.00 ATOM 89 CA SER A 13 31.843 49.529 29.841 1.00 0.00 ATOM 90 CB SER A 13 33.072 48.652 30.085 1.00 0.00 ATOM 91 OG SER A 13 34.262 49.420 30.051 1.00 0.00 ATOM 92 O SER A 13 32.565 49.691 27.570 1.00 0.00 ATOM 93 C SER A 13 32.070 50.263 28.537 1.00 0.00 ATOM 94 N LEU A 14 31.683 51.533 28.526 1.00 0.00 ATOM 95 CA LEU A 14 31.854 52.401 27.374 1.00 0.00 ATOM 96 CB LEU A 14 33.339 52.617 27.079 1.00 0.00 ATOM 97 CG LEU A 14 34.158 53.290 28.183 1.00 0.00 ATOM 98 CD1 LEU A 14 35.618 53.406 27.773 1.00 0.00 ATOM 99 CD2 LEU A 14 33.630 54.688 28.468 1.00 0.00 ATOM 100 O LEU A 14 31.896 51.839 25.036 1.00 0.00 ATOM 101 C LEU A 14 31.230 51.894 26.077 1.00 0.00 ATOM 102 N ILE A 15 29.948 51.531 26.129 1.00 0.00 ATOM 103 CA ILE A 15 29.260 51.072 24.924 1.00 0.00 ATOM 104 CB ILE A 15 27.892 50.450 25.262 1.00 0.00 ATOM 105 CG1 ILE A 15 28.066 49.259 26.207 1.00 0.00 ATOM 106 CG2 ILE A 15 27.201 49.965 23.997 1.00 0.00 ATOM 107 CD1 ILE A 15 28.908 48.143 25.632 1.00 0.00 ATOM 108 O ILE A 15 28.950 53.423 24.468 1.00 0.00 ATOM 109 C ILE A 15 29.226 52.303 24.024 1.00 0.00 ATOM 110 N ASP A 16 29.458 52.108 22.722 1.00 0.00 ATOM 111 CA ASP A 16 29.556 53.223 21.797 1.00 0.00 ATOM 112 CB ASP A 16 30.003 52.692 20.433 1.00 0.00 ATOM 113 CG ASP A 16 30.263 53.800 19.433 1.00 0.00 ATOM 114 OD1 ASP A 16 29.958 54.969 19.750 1.00 0.00 ATOM 115 OD2 ASP A 16 30.773 53.499 18.332 1.00 0.00 ATOM 116 O ASP A 16 27.939 54.977 22.042 1.00 0.00 ATOM 117 C ASP A 16 28.219 53.904 21.508 1.00 0.00 ATOM 118 N LYS A 17 27.390 53.288 20.669 1.00 0.00 ATOM 119 CA LYS A 17 26.124 53.912 20.296 1.00 0.00 ATOM 120 CB LYS A 17 25.768 53.579 18.846 1.00 0.00 ATOM 121 CG LYS A 17 26.716 54.182 17.821 1.00 0.00 ATOM 122 CD LYS A 17 26.307 53.811 16.405 1.00 0.00 ATOM 123 CE LYS A 17 27.241 54.432 15.379 1.00 0.00 ATOM 124 NZ LYS A 17 26.861 54.066 13.987 1.00 0.00 ATOM 125 O LYS A 17 24.766 52.362 21.549 1.00 0.00 ATOM 126 C LYS A 17 24.889 53.504 21.107 1.00 0.00 ATOM 127 N PRO A 18 23.948 54.383 21.120 1.00 0.00 ATOM 128 CA PRO A 18 22.690 54.198 21.857 1.00 0.00 ATOM 129 CB PRO A 18 22.021 55.576 21.738 1.00 0.00 ATOM 130 CG PRO A 18 23.169 56.515 21.533 1.00 0.00 ATOM 131 CD PRO A 18 24.039 55.751 20.583 1.00 0.00 ATOM 132 O PRO A 18 21.095 52.446 22.146 1.00 0.00 ATOM 133 C PRO A 18 21.843 53.032 21.365 1.00 0.00 ATOM 134 N THR A 19 21.945 52.693 20.083 1.00 0.00 ATOM 135 CA THR A 19 21.163 51.575 19.563 1.00 0.00 ATOM 136 CB THR A 19 21.341 51.424 18.040 1.00 0.00 ATOM 137 CG2 THR A 19 20.540 50.238 17.525 1.00 0.00 ATOM 138 OG1 THR A 19 20.884 52.614 17.383 1.00 0.00 ATOM 139 O THR A 19 20.815 49.466 20.670 1.00 0.00 ATOM 140 C THR A 19 21.631 50.291 20.252 1.00 0.00 ATOM 141 N ASN A 20 22.945 50.113 20.368 1.00 0.00 ATOM 142 CA ASN A 20 23.466 48.924 21.034 1.00 0.00 ATOM 143 CB ASN A 20 24.986 48.843 20.876 1.00 0.00 ATOM 144 CG ASN A 20 25.404 48.466 19.468 1.00 0.00 ATOM 145 ND2 ASN A 20 26.646 48.782 19.117 1.00 0.00 ATOM 146 OD1 ASN A 20 24.621 47.896 18.709 1.00 0.00 ATOM 147 O ASN A 20 22.739 47.933 23.098 1.00 0.00 ATOM 148 C ASN A 20 23.111 48.957 22.500 1.00 0.00 ATOM 149 N LEU A 21 23.240 50.145 23.118 1.00 0.00 ATOM 150 CA LEU A 21 22.899 50.290 24.528 1.00 0.00 ATOM 151 CB LEU A 21 23.158 51.714 25.044 1.00 0.00 ATOM 152 CG LEU A 21 24.641 52.086 25.131 1.00 0.00 ATOM 153 CD1 LEU A 21 24.751 53.584 25.430 1.00 0.00 ATOM 154 CD2 LEU A 21 25.341 51.262 26.251 1.00 0.00 ATOM 155 O LEU A 21 21.128 49.233 25.771 1.00 0.00 ATOM 156 C LEU A 21 21.431 49.948 24.814 1.00 0.00 ATOM 157 N GLY A 22 20.520 50.464 23.992 1.00 0.00 ATOM 158 CA GLY A 22 19.096 50.194 24.188 1.00 0.00 ATOM 159 O GLY A 22 18.047 48.170 24.793 1.00 0.00 ATOM 160 C GLY A 22 18.814 48.722 24.029 1.00 0.00 ATOM 161 N GLY A 23 19.411 48.092 23.012 1.00 0.00 ATOM 162 CA GLY A 23 19.239 46.661 22.807 1.00 0.00 ATOM 163 O GLY A 23 19.044 44.925 24.450 1.00 0.00 ATOM 164 C GLY A 23 19.687 45.889 24.043 1.00 0.00 ATOM 165 N LEU A 24 20.792 46.320 24.645 1.00 0.00 ATOM 166 CA LEU A 24 21.309 45.675 25.844 1.00 0.00 ATOM 167 CB LEU A 24 22.637 46.307 26.261 1.00 0.00 ATOM 168 CG LEU A 24 23.827 46.066 25.331 1.00 0.00 ATOM 169 CD1 LEU A 24 25.027 46.892 25.765 1.00 0.00 ATOM 170 CD2 LEU A 24 24.229 44.599 25.343 1.00 0.00 ATOM 171 O LEU A 24 20.148 44.896 27.795 1.00 0.00 ATOM 172 C LEU A 24 20.320 45.820 26.999 1.00 0.00 ATOM 173 N CYS A 25 19.664 46.972 27.089 1.00 0.00 ATOM 174 CA CYS A 25 18.687 47.184 28.151 1.00 0.00 ATOM 175 CB CYS A 25 18.135 48.610 28.094 1.00 0.00 ATOM 176 SG CYS A 25 19.327 49.892 28.550 1.00 0.00 ATOM 177 O CYS A 25 17.095 45.554 28.912 1.00 0.00 ATOM 178 C CYS A 25 17.548 46.189 27.954 1.00 0.00 ATOM 179 N ARG A 26 17.094 46.046 26.710 1.00 0.00 ATOM 180 CA ARG A 26 16.010 45.114 26.392 1.00 0.00 ATOM 181 CB ARG A 26 15.693 45.153 24.897 1.00 0.00 ATOM 182 CG ARG A 26 14.549 44.241 24.481 1.00 0.00 ATOM 183 CD ARG A 26 14.213 44.413 23.008 1.00 0.00 ATOM 184 NE ARG A 26 13.142 43.515 22.582 1.00 0.00 ATOM 185 CZ ARG A 26 12.693 43.428 21.335 1.00 0.00 ATOM 186 NH1 ARG A 26 11.715 42.579 21.042 1.00 0.00 ATOM 187 NH2 ARG A 26 13.221 44.187 20.385 1.00 0.00 ATOM 188 O ARG A 26 15.653 42.942 27.366 1.00 0.00 ATOM 189 C ARG A 26 16.437 43.698 26.787 1.00 0.00 ATOM 190 N THR A 27 17.689 43.352 26.495 1.00 0.00 ATOM 191 CA THR A 27 18.152 42.012 26.838 1.00 0.00 ATOM 192 CB THR A 27 19.547 41.780 26.229 1.00 0.00 ATOM 193 CG2 THR A 27 20.053 40.387 26.571 1.00 0.00 ATOM 194 OG1 THR A 27 19.478 41.912 24.804 1.00 0.00 ATOM 195 O THR A 27 17.983 40.656 28.815 1.00 0.00 ATOM 196 C THR A 27 18.264 41.759 28.342 1.00 0.00 ATOM 197 N CYS A 28 18.679 42.774 29.095 1.00 0.00 ATOM 198 CA CYS A 28 18.782 42.630 30.548 1.00 0.00 ATOM 199 CB CYS A 28 19.306 43.922 31.179 1.00 0.00 ATOM 200 SG CYS A 28 21.036 44.287 30.802 1.00 0.00 ATOM 201 O CYS A 28 17.223 41.399 31.908 1.00 0.00 ATOM 202 C CYS A 28 17.399 42.319 31.101 1.00 0.00 ATOM 203 N GLU A 29 16.418 43.092 30.651 1.00 0.00 ATOM 204 CA GLU A 29 15.030 42.925 31.077 1.00 0.00 ATOM 205 CB GLU A 29 14.126 43.934 30.366 1.00 0.00 ATOM 206 CG GLU A 29 12.666 43.860 30.782 1.00 0.00 ATOM 207 CD GLU A 29 12.450 44.268 32.226 1.00 0.00 ATOM 208 OE1 GLU A 29 13.395 44.808 32.838 1.00 0.00 ATOM 209 OE2 GLU A 29 11.334 44.049 32.744 1.00 0.00 ATOM 210 O GLU A 29 13.824 40.892 31.571 1.00 0.00 ATOM 211 C GLU A 29 14.520 41.519 30.759 1.00 0.00 ATOM 212 N VAL A 30 14.887 41.020 29.582 1.00 0.00 ATOM 213 CA VAL A 30 14.466 39.698 29.128 1.00 0.00 ATOM 214 CB VAL A 30 14.977 39.401 27.706 1.00 0.00 ATOM 215 CG1 VAL A 30 14.697 37.954 27.329 1.00 0.00 ATOM 216 CG2 VAL A 30 14.289 40.303 26.693 1.00 0.00 ATOM 217 O VAL A 30 14.202 37.583 30.209 1.00 0.00 ATOM 218 C VAL A 30 14.950 38.536 29.985 1.00 0.00 ATOM 219 N PHE A 31 16.196 38.595 30.451 1.00 0.00 ATOM 220 CA PHE A 31 16.736 37.507 31.258 1.00 0.00 ATOM 221 CB PHE A 31 18.165 37.260 30.802 1.00 0.00 ATOM 222 CG PHE A 31 18.269 36.833 29.352 1.00 0.00 ATOM 223 CD1 PHE A 31 17.529 35.743 28.877 1.00 0.00 ATOM 224 CD2 PHE A 31 19.085 37.529 28.456 1.00 0.00 ATOM 225 CE1 PHE A 31 17.638 35.340 27.528 1.00 0.00 ATOM 226 CE2 PHE A 31 19.182 37.147 27.117 1.00 0.00 ATOM 227 CZ PHE A 31 18.466 36.037 26.655 1.00 0.00 ATOM 228 O PHE A 31 16.935 36.755 33.500 1.00 0.00 ATOM 229 C PHE A 31 16.559 37.652 32.750 1.00 0.00 ATOM 230 N GLY A 32 15.998 38.740 33.198 1.00 0.00 ATOM 231 CA GLY A 32 15.774 38.921 34.617 1.00 0.00 ATOM 232 O GLY A 32 16.852 39.768 36.564 1.00 0.00 ATOM 233 C GLY A 32 16.790 39.779 35.335 1.00 0.00 ATOM 234 N ALA A 33 17.624 40.496 34.587 1.00 0.00 ATOM 235 CA ALA A 33 18.608 41.357 35.226 1.00 0.00 ATOM 236 CB ALA A 33 19.722 41.699 34.272 1.00 0.00 ATOM 237 O ALA A 33 16.957 43.099 35.157 1.00 0.00 ATOM 238 C ALA A 33 17.841 42.545 35.809 1.00 0.00 ATOM 239 N SER A 34 18.187 42.906 37.030 1.00 0.00 ATOM 240 CA SER A 34 17.565 44.039 37.710 1.00 0.00 ATOM 241 CB SER A 34 17.198 43.662 39.147 1.00 0.00 ATOM 242 OG SER A 34 18.349 43.301 39.890 1.00 0.00 ATOM 243 O SER A 34 17.987 46.395 37.808 1.00 0.00 ATOM 244 C SER A 34 18.473 45.263 37.783 1.00 0.00 ATOM 245 N VAL A 35 19.783 45.042 37.826 1.00 0.00 ATOM 246 CA VAL A 35 20.727 46.154 37.911 1.00 0.00 ATOM 247 CB VAL A 35 21.576 46.078 39.193 1.00 0.00 ATOM 248 CG1 VAL A 35 22.575 47.224 39.241 1.00 0.00 ATOM 249 CG2 VAL A 35 20.689 46.162 40.426 1.00 0.00 ATOM 250 O VAL A 35 22.430 45.245 36.482 1.00 0.00 ATOM 251 C VAL A 35 21.717 46.218 36.755 1.00 0.00 ATOM 252 N LEU A 36 21.731 47.358 36.067 1.00 0.00 ATOM 253 CA LEU A 36 22.640 47.596 34.946 1.00 0.00 ATOM 254 CB LEU A 36 21.852 47.776 33.647 1.00 0.00 ATOM 255 CG LEU A 36 22.672 48.095 32.395 1.00 0.00 ATOM 256 CD1 LEU A 36 23.596 46.937 32.049 1.00 0.00 ATOM 257 CD2 LEU A 36 21.759 48.346 31.204 1.00 0.00 ATOM 258 O LEU A 36 22.806 49.888 35.623 1.00 0.00 ATOM 259 C LEU A 36 23.406 48.853 35.336 1.00 0.00 ATOM 260 N VAL A 37 24.734 48.759 35.354 1.00 0.00 ATOM 261 CA VAL A 37 25.592 49.891 35.677 1.00 0.00 ATOM 262 CB VAL A 37 26.601 49.589 36.801 1.00 0.00 ATOM 263 CG1 VAL A 37 25.875 49.298 38.104 1.00 0.00 ATOM 264 CG2 VAL A 37 27.450 48.378 36.442 1.00 0.00 ATOM 265 O VAL A 37 26.526 49.300 33.565 1.00 0.00 ATOM 266 C VAL A 37 26.328 50.194 34.388 1.00 0.00 ATOM 267 N VAL A 38 26.733 51.444 34.202 1.00 0.00 ATOM 268 CA VAL A 38 27.450 51.798 32.987 1.00 0.00 ATOM 269 CB VAL A 38 26.485 52.249 31.874 1.00 0.00 ATOM 270 CG1 VAL A 38 25.762 53.523 32.282 1.00 0.00 ATOM 271 CG2 VAL A 38 27.249 52.521 30.586 1.00 0.00 ATOM 272 O VAL A 38 28.225 53.856 33.936 1.00 0.00 ATOM 273 C VAL A 38 28.460 52.914 33.174 1.00 0.00 ATOM 274 N GLY A 39 29.592 52.815 32.369 1.00 0.00 ATOM 275 CA GLY A 39 30.587 53.869 32.376 1.00 0.00 ATOM 276 O GLY A 39 30.786 53.549 30.020 1.00 0.00 ATOM 277 C GLY A 39 30.691 54.358 30.935 1.00 0.00 ATOM 278 N SER A 40 30.659 55.668 30.718 1.00 0.00 ATOM 279 CA SER A 40 30.742 56.163 29.349 1.00 0.00 ATOM 280 CB SER A 40 29.359 56.580 28.844 1.00 0.00 ATOM 281 OG SER A 40 28.462 55.482 28.849 1.00 0.00 ATOM 282 O SER A 40 31.964 58.049 30.194 1.00 0.00 ATOM 283 C SER A 40 31.674 57.358 29.216 1.00 0.00 ATOM 284 N LEU A 41 32.143 57.626 27.914 1.00 0.00 ATOM 285 CA LEU A 41 33.044 58.739 27.655 1.00 0.00 ATOM 286 CB LEU A 41 33.384 58.838 26.166 1.00 0.00 ATOM 287 CG LEU A 41 34.286 60.001 25.752 1.00 0.00 ATOM 288 CD1 LEU A 41 35.642 59.898 26.432 1.00 0.00 ATOM 289 CD2 LEU A 41 34.508 60.003 24.247 1.00 0.00 ATOM 290 O LEU A 41 32.940 60.795 28.834 1.00 0.00 ATOM 291 C LEU A 41 32.380 60.016 28.080 1.00 0.00 ATOM 292 N GLN A 42 31.174 60.209 27.616 1.00 0.00 ATOM 293 CA GLN A 42 30.441 61.445 28.020 1.00 0.00 ATOM 294 CB GLN A 42 29.495 61.859 26.885 1.00 0.00 ATOM 295 CG GLN A 42 30.168 62.127 25.549 1.00 0.00 ATOM 296 CD GLN A 42 31.127 63.293 25.613 1.00 0.00 ATOM 297 OE1 GLN A 42 30.744 64.409 25.964 1.00 0.00 ATOM 298 NE2 GLN A 42 32.380 63.045 25.270 1.00 0.00 ATOM 299 O GLN A 42 29.280 60.172 29.716 1.00 0.00 ATOM 300 C GLN A 42 29.775 61.259 29.368 1.00 0.00 ATOM 301 N CYS A 43 29.756 62.324 30.178 1.00 0.00 ATOM 302 CA CYS A 43 29.037 62.273 31.442 1.00 0.00 ATOM 303 CB CYS A 43 29.539 63.201 32.435 1.00 0.00 ATOM 304 SG CYS A 43 31.194 62.744 33.015 1.00 0.00 ATOM 305 O CYS A 43 26.662 62.031 31.623 1.00 0.00 ATOM 306 C CYS A 43 27.603 62.785 31.375 1.00 0.00 ATOM 307 N ILE A 44 28.960 60.425 31.073 1.00 0.00 ATOM 308 CA ILE A 44 28.307 59.166 30.697 1.00 0.00 ATOM 309 CB ILE A 44 28.481 58.091 31.786 1.00 0.00 ATOM 310 CG1 ILE A 44 27.842 58.553 33.098 1.00 0.00 ATOM 311 CG2 ILE A 44 29.957 57.823 32.038 1.00 0.00 ATOM 312 CD1 ILE A 44 27.780 57.475 34.158 1.00 0.00 ATOM 313 O ILE A 44 26.036 58.406 30.671 1.00 0.00 ATOM 314 C ILE A 44 26.810 59.342 30.478 1.00 0.00 ATOM 315 N SER A 45 26.554 60.659 29.566 1.00 0.00 ATOM 316 CA SER A 45 25.142 60.956 29.355 1.00 0.00 ATOM 317 CB SER A 45 24.962 62.401 28.886 1.00 0.00 ATOM 318 OG SER A 45 23.593 62.702 28.675 1.00 0.00 ATOM 319 O SER A 45 24.469 60.379 27.121 1.00 0.00 ATOM 320 C SER A 45 24.550 60.027 28.298 1.00 0.00 ATOM 321 N ASP A 46 24.137 58.836 28.728 1.00 0.00 ATOM 322 CA ASP A 46 23.566 57.845 27.822 1.00 0.00 ATOM 323 CB ASP A 46 23.632 56.453 28.454 1.00 0.00 ATOM 324 CG ASP A 46 25.056 55.971 28.651 1.00 0.00 ATOM 325 OD1 ASP A 46 25.862 56.096 27.706 1.00 0.00 ATOM 326 OD2 ASP A 46 25.366 55.470 29.752 1.00 0.00 ATOM 327 O ASP A 46 21.324 58.527 28.336 1.00 0.00 ATOM 328 C ASP A 46 22.110 58.139 27.490 1.00 0.00 ATOM 329 N LYS A 47 21.760 57.970 26.151 1.00 0.00 ATOM 330 CA LYS A 47 20.406 58.223 25.736 1.00 0.00 ATOM 331 CB LYS A 47 20.369 59.321 24.671 1.00 0.00 ATOM 332 CG LYS A 47 20.855 60.676 25.158 1.00 0.00 ATOM 333 CD LYS A 47 20.754 61.726 24.063 1.00 0.00 ATOM 334 CE LYS A 47 21.206 63.089 24.563 1.00 0.00 ATOM 335 NZ LYS A 47 20.994 64.151 23.541 1.00 0.00 ATOM 336 O LYS A 47 20.249 56.485 24.086 1.00 0.00 ATOM 337 C LYS A 47 19.846 56.923 25.165 1.00 0.00 ATOM 338 N GLN A 48 18.920 56.312 25.893 1.00 0.00 ATOM 339 CA GLN A 48 18.311 55.059 25.464 1.00 0.00 ATOM 340 CB GLN A 48 17.629 54.345 26.634 1.00 0.00 ATOM 341 CG GLN A 48 18.539 53.962 27.740 1.00 0.00 ATOM 342 CD GLN A 48 17.830 53.549 28.990 1.00 0.00 ATOM 343 OE1 GLN A 48 17.405 52.439 29.099 1.00 0.00 ATOM 344 NE2 GLN A 48 17.759 54.462 29.963 1.00 0.00 ATOM 345 O GLN A 48 16.563 56.355 24.450 1.00 0.00 ATOM 346 C GLN A 48 17.245 55.329 24.407 1.00 0.00 ATOM 347 N PHE A 49 17.113 54.411 23.455 1.00 0.00 ATOM 348 CA PHE A 49 16.123 54.549 22.393 1.00 0.00 ATOM 349 CB PHE A 49 16.664 54.010 21.068 1.00 0.00 ATOM 350 CG PHE A 49 17.711 54.885 20.440 1.00 0.00 ATOM 351 CD1 PHE A 49 18.052 56.100 21.009 1.00 0.00 ATOM 352 CD2 PHE A 49 18.357 54.492 19.279 1.00 0.00 ATOM 353 CE1 PHE A 49 19.015 56.903 20.430 1.00 0.00 ATOM 354 CE2 PHE A 49 19.321 55.297 18.702 1.00 0.00 ATOM 355 CZ PHE A 49 19.651 56.498 19.272 1.00 0.00 ATOM 356 O PHE A 49 14.913 52.526 22.844 1.00 0.00 ATOM 357 C PHE A 49 14.880 53.755 22.782 1.00 0.00 ATOM 358 N GLN A 50 13.788 54.467 23.048 1.00 0.00 ATOM 359 CA GLN A 50 12.533 53.835 23.438 1.00 0.00 ATOM 360 CB GLN A 50 11.455 54.891 23.689 1.00 0.00 ATOM 361 CG GLN A 50 11.679 55.720 24.944 1.00 0.00 ATOM 362 CD GLN A 50 10.636 56.805 25.119 1.00 0.00 ATOM 363 OE1 GLN A 50 9.755 56.974 24.277 1.00 0.00 ATOM 364 NE2 GLN A 50 10.734 57.547 26.218 1.00 0.00 ATOM 365 O GLN A 50 11.332 51.911 22.650 1.00 0.00 ATOM 366 C GLN A 50 12.017 52.890 22.354 1.00 0.00 ATOM 367 N HIS A 51 12.345 53.193 21.102 1.00 0.00 ATOM 368 CA HIS A 51 11.906 52.361 19.999 1.00 0.00 ATOM 369 CB HIS A 51 12.103 53.088 18.667 1.00 0.00 ATOM 370 CG HIS A 51 11.178 54.250 18.472 1.00 0.00 ATOM 371 CD2 HIS A 51 11.326 55.696 18.399 1.00 0.00 ATOM 372 ND1 HIS A 51 9.818 54.098 18.302 1.00 0.00 ATOM 373 CE1 HIS A 51 9.257 55.311 18.149 1.00 0.00 ATOM 374 NE2 HIS A 51 10.157 56.274 18.208 1.00 0.00 ATOM 375 O HIS A 51 12.155 50.078 19.328 1.00 0.00 ATOM 376 C HIS A 51 12.651 51.040 19.914 1.00 0.00 ATOM 377 N LEU A 52 13.848 50.994 20.496 1.00 0.00 ATOM 378 CA LEU A 52 14.663 49.784 20.486 1.00 0.00 ATOM 379 CB LEU A 52 16.124 50.136 20.200 1.00 0.00 ATOM 380 CG LEU A 52 16.408 50.812 18.857 1.00 0.00 ATOM 381 CD1 LEU A 52 17.876 51.195 18.747 1.00 0.00 ATOM 382 CD2 LEU A 52 16.073 49.879 17.703 1.00 0.00 ATOM 383 O LEU A 52 14.180 47.850 21.813 1.00 0.00 ATOM 384 C LEU A 52 14.422 49.053 21.817 1.00 0.00 ATOM 385 N SER A 53 14.506 49.806 22.908 1.00 0.00 ATOM 386 CA SER A 53 14.286 49.219 24.231 1.00 0.00 ATOM 387 CB SER A 53 14.626 50.261 25.301 1.00 0.00 ATOM 388 OG SER A 53 13.661 51.299 25.325 1.00 0.00 ATOM 389 O SER A 53 12.631 47.912 25.346 1.00 0.00 ATOM 390 C SER A 53 12.870 48.722 24.450 1.00 0.00 ATOM 391 N VAL A 54 11.914 49.229 23.650 1.00 0.00 ATOM 392 CA VAL A 54 10.518 48.837 23.809 1.00 0.00 ATOM 393 CB VAL A 54 10.295 47.381 23.358 1.00 0.00 ATOM 394 CG1 VAL A 54 8.809 47.060 23.306 1.00 0.00 ATOM 395 CG2 VAL A 54 10.884 47.158 21.972 1.00 0.00 ATOM 396 O VAL A 54 9.620 48.012 25.868 1.00 0.00 ATOM 397 C VAL A 54 10.063 48.975 25.248 1.00 0.00 ATOM 398 N SER A 55 10.463 50.199 25.782 1.00 0.00 ATOM 399 CA SER A 55 10.080 50.465 27.153 1.00 0.00 ATOM 400 CB SER A 55 8.522 50.353 27.283 1.00 0.00 ATOM 401 OG SER A 55 8.146 48.973 27.303 1.00 0.00 ATOM 402 O SER A 55 10.432 49.919 29.453 1.00 0.00 ATOM 403 C SER A 55 10.688 49.651 28.280 1.00 0.00 ATOM 404 N ALA A 56 11.500 48.657 27.924 1.00 0.00 ATOM 405 CA ALA A 56 12.142 47.801 28.916 1.00 0.00 ATOM 406 CB ALA A 56 12.973 46.727 28.231 1.00 0.00 ATOM 407 O ALA A 56 13.292 48.235 30.979 1.00 0.00 ATOM 408 C ALA A 56 13.067 48.603 29.827 1.00 0.00 ATOM 409 N GLU A 57 13.598 49.707 29.309 1.00 0.00 ATOM 410 CA GLU A 57 14.495 50.561 30.078 1.00 0.00 ATOM 411 CB GLU A 57 14.553 52.025 29.525 1.00 0.00 ATOM 412 CG GLU A 57 14.760 52.039 28.026 1.00 0.00 ATOM 413 CD GLU A 57 14.267 53.296 27.363 1.00 0.00 ATOM 414 OE1 GLU A 57 14.378 53.372 26.119 1.00 0.00 ATOM 415 OE2 GLU A 57 13.762 54.208 28.027 1.00 0.00 ATOM 416 O GLU A 57 14.494 51.315 32.351 1.00 0.00 ATOM 417 C GLU A 57 13.817 50.934 31.377 1.00 0.00 ATOM 418 N GLN A 58 12.491 50.827 31.435 1.00 0.00 ATOM 419 CA GLN A 58 11.769 51.180 32.652 1.00 0.00 ATOM 420 CB GLN A 58 10.274 51.241 32.328 1.00 0.00 ATOM 421 CG GLN A 58 9.893 52.356 31.368 1.00 0.00 ATOM 422 CD GLN A 58 8.416 52.352 31.027 1.00 0.00 ATOM 423 OE1 GLN A 58 7.680 51.447 31.421 1.00 0.00 ATOM 424 NE2 GLN A 58 7.977 53.366 30.290 1.00 0.00 ATOM 425 O GLN A 58 11.898 50.715 34.977 1.00 0.00 ATOM 426 C GLN A 58 11.898 50.260 33.862 1.00 0.00 ATOM 427 N TRP A 59 11.966 48.998 33.633 1.00 0.00 ATOM 428 CA TRP A 59 12.031 47.971 34.686 1.00 0.00 ATOM 429 CB TRP A 59 11.513 46.630 34.162 1.00 0.00 ATOM 430 CG TRP A 59 10.039 46.620 33.896 1.00 0.00 ATOM 431 CD1 TRP A 59 9.424 46.720 32.680 1.00 0.00 ATOM 432 CD2 TRP A 59 8.991 46.502 34.866 1.00 0.00 ATOM 433 CE2 TRP A 59 7.769 46.538 34.168 1.00 0.00 ATOM 434 CE3 TRP A 59 8.969 46.369 36.258 1.00 0.00 ATOM 435 NE1 TRP A 59 8.059 46.672 32.834 1.00 0.00 ATOM 436 CZ2 TRP A 59 6.537 46.447 34.813 1.00 0.00 ATOM 437 CZ3 TRP A 59 7.746 46.277 36.894 1.00 0.00 ATOM 438 CH2 TRP A 59 6.545 46.317 36.175 1.00 0.00 ATOM 439 O TRP A 59 13.437 47.046 36.378 1.00 0.00 ATOM 440 C TRP A 59 13.397 47.628 35.293 1.00 0.00 ATOM 441 N LEU A 60 14.439 48.033 34.628 1.00 0.00 ATOM 442 CA LEU A 60 15.813 47.770 35.074 1.00 0.00 ATOM 443 CB LEU A 60 16.692 47.402 33.874 1.00 0.00 ATOM 444 CG LEU A 60 18.152 47.037 34.148 1.00 0.00 ATOM 445 CD1 LEU A 60 18.227 45.696 34.865 1.00 0.00 ATOM 446 CD2 LEU A 60 18.907 46.970 32.831 1.00 0.00 ATOM 447 O LEU A 60 16.252 50.116 35.004 1.00 0.00 ATOM 448 C LEU A 60 16.426 49.061 35.613 1.00 0.00 ATOM 449 N PRO A 61 17.100 48.993 36.762 1.00 0.00 ATOM 450 CA PRO A 61 17.739 50.184 37.323 1.00 0.00 ATOM 451 CB PRO A 61 17.955 49.823 38.795 1.00 0.00 ATOM 452 CG PRO A 61 17.039 48.671 39.037 1.00 0.00 ATOM 453 CD PRO A 61 17.023 47.876 37.761 1.00 0.00 ATOM 454 O PRO A 61 19.970 49.603 36.667 1.00 0.00 ATOM 455 C PRO A 61 19.052 50.424 36.591 1.00 0.00 ATOM 456 N LEU A 62 19.128 51.539 35.879 1.00 0.00 ATOM 457 CA LEU A 62 20.321 51.882 35.118 1.00 0.00 ATOM 458 CB LEU A 62 19.926 52.323 33.707 1.00 0.00 ATOM 459 CG LEU A 62 21.070 52.758 32.788 1.00 0.00 ATOM 460 CD1 LEU A 62 21.998 51.588 32.497 1.00 0.00 ATOM 461 CD2 LEU A 62 20.528 53.275 31.464 1.00 0.00 ATOM 462 O LEU A 62 20.493 54.102 36.020 1.00 0.00 ATOM 463 C LEU A 62 21.047 53.018 35.834 1.00 0.00 ATOM 464 N VAL A 63 22.284 52.757 36.247 1.00 0.00 ATOM 465 CA VAL A 63 23.076 53.737 36.982 1.00 0.00 ATOM 466 CB VAL A 63 23.361 53.271 38.421 1.00 0.00 ATOM 467 CG1 VAL A 63 24.216 54.294 39.153 1.00 0.00 ATOM 468 CG2 VAL A 63 22.061 53.093 39.191 1.00 0.00 ATOM 469 O VAL A 63 25.239 53.126 36.132 1.00 0.00 ATOM 470 C VAL A 63 24.437 54.032 36.361 1.00 0.00 ATOM 471 N GLU A 64 24.690 55.312 36.113 1.00 0.00 ATOM 472 CA GLU A 64 25.952 55.760 35.539 1.00 0.00 ATOM 473 CB GLU A 64 25.735 57.051 34.739 1.00 0.00 ATOM 474 CG GLU A 64 24.816 56.905 33.537 1.00 0.00 ATOM 475 CD GLU A 64 24.156 58.212 33.144 1.00 0.00 ATOM 476 OE1 GLU A 64 23.217 58.632 33.851 1.00 0.00 ATOM 477 OE2 GLU A 64 24.569 58.816 32.133 1.00 0.00 ATOM 478 O GLU A 64 26.742 56.159 37.770 1.00 0.00 ATOM 479 C GLU A 64 27.013 55.760 36.641 1.00 0.00 ATOM 480 N VAL A 65 28.212 55.293 36.306 1.00 0.00 ATOM 481 CA VAL A 65 29.327 55.223 37.246 1.00 0.00 ATOM 482 CB VAL A 65 29.800 53.772 37.456 1.00 0.00 ATOM 483 CG1 VAL A 65 30.997 53.732 38.394 1.00 0.00 ATOM 484 CG2 VAL A 65 28.686 52.932 38.062 1.00 0.00 ATOM 485 O VAL A 65 30.681 56.045 35.460 1.00 0.00 ATOM 486 C VAL A 65 30.475 56.051 36.669 1.00 0.00 ATOM 487 N LYS A 66 31.210 56.766 37.519 1.00 0.00 ATOM 488 CA LYS A 66 32.319 57.589 37.064 1.00 0.00 ATOM 489 CB LYS A 66 32.771 58.540 38.175 1.00 0.00 ATOM 490 CG LYS A 66 31.759 59.623 38.512 1.00 0.00 ATOM 491 CD LYS A 66 32.290 60.557 39.590 1.00 0.00 ATOM 492 CE LYS A 66 31.261 61.610 39.962 1.00 0.00 ATOM 493 NZ LYS A 66 31.774 62.544 41.004 1.00 0.00 ATOM 494 O LYS A 66 33.847 55.767 37.391 1.00 0.00 ATOM 495 C LYS A 66 33.491 56.704 36.680 1.00 0.00 ATOM 496 N PRO A 67 34.159 57.018 35.565 1.00 0.00 ATOM 497 CA PRO A 67 35.229 56.193 35.028 1.00 0.00 ATOM 498 CB PRO A 67 35.684 56.946 33.776 1.00 0.00 ATOM 499 CG PRO A 67 34.474 57.701 33.335 1.00 0.00 ATOM 500 CD PRO A 67 33.792 58.167 34.590 1.00 0.00 ATOM 501 O PRO A 67 36.914 54.995 36.265 1.00 0.00 ATOM 502 C PRO A 67 36.310 56.071 36.092 1.00 0.00 ATOM 503 N PRO A 68 36.569 57.163 36.821 1.00 0.00 ATOM 504 CA PRO A 68 37.629 57.177 37.824 1.00 0.00 ATOM 505 CB PRO A 68 37.666 58.619 38.320 1.00 0.00 ATOM 506 CG PRO A 68 37.088 59.429 37.163 1.00 0.00 ATOM 507 CD PRO A 68 35.967 58.524 36.621 1.00 0.00 ATOM 508 O PRO A 68 38.375 55.811 39.629 1.00 0.00 ATOM 509 C PRO A 68 37.413 56.194 38.967 1.00 0.00 ATOM 510 N GLN A 69 36.161 55.760 39.174 1.00 0.00 ATOM 511 CA GLN A 69 35.816 54.828 40.225 1.00 0.00 ATOM 512 CB GLN A 69 34.781 55.494 41.157 1.00 0.00 ATOM 513 CG GLN A 69 35.280 56.756 41.817 1.00 0.00 ATOM 514 CD GLN A 69 36.535 56.514 42.628 1.00 0.00 ATOM 515 OE1 GLN A 69 37.572 57.135 42.391 1.00 0.00 ATOM 516 NE2 GLN A 69 36.450 55.604 43.588 1.00 0.00 ATOM 517 O GLN A 69 35.178 52.539 40.628 1.00 0.00 ATOM 518 C GLN A 69 35.591 53.376 39.806 1.00 0.00 ATOM 519 N LEU A 70 35.863 53.073 38.542 1.00 0.00 ATOM 520 CA LEU A 70 35.617 51.729 38.029 1.00 0.00 ATOM 521 CB LEU A 70 35.912 51.665 36.530 1.00 0.00 ATOM 522 CG LEU A 70 34.947 52.423 35.616 1.00 0.00 ATOM 523 CD1 LEU A 70 35.455 52.428 34.182 1.00 0.00 ATOM 524 CD2 LEU A 70 33.571 51.774 35.630 1.00 0.00 ATOM 525 O LEU A 70 36.021 49.493 38.901 1.00 0.00 ATOM 526 C LEU A 70 36.476 50.631 38.697 1.00 0.00 ATOM 527 N ILE A 71 37.737 50.941 39.045 1.00 0.00 ATOM 528 CA ILE A 71 38.600 49.953 39.698 1.00 0.00 ATOM 529 CB ILE A 71 40.036 50.460 39.929 1.00 0.00 ATOM 530 CG1 ILE A 71 40.758 50.644 38.592 1.00 0.00 ATOM 531 CG2 ILE A 71 40.823 49.466 40.770 1.00 0.00 ATOM 532 CD1 ILE A 71 42.069 51.389 38.705 1.00 0.00 ATOM 533 O ILE A 71 37.870 48.382 41.351 1.00 0.00 ATOM 534 C ILE A 71 38.019 49.569 41.050 1.00 0.00 ATOM 535 N ASP A 72 37.675 50.577 41.834 1.00 0.00 ATOM 536 CA ASP A 72 37.067 50.332 43.145 1.00 0.00 ATOM 537 CB ASP A 72 36.814 51.685 43.848 1.00 0.00 ATOM 538 CG ASP A 72 38.046 52.389 44.323 1.00 0.00 ATOM 539 OD1 ASP A 72 39.119 51.791 44.311 1.00 0.00 ATOM 540 OD2 ASP A 72 37.977 53.553 44.761 1.00 0.00 ATOM 541 O ASP A 72 35.416 48.730 43.868 1.00 0.00 ATOM 542 C ASP A 72 35.717 49.623 43.072 1.00 0.00 ATOM 543 N TYR A 73 34.912 50.035 42.100 1.00 0.00 ATOM 544 CA TYR A 73 33.606 49.394 41.895 1.00 0.00 ATOM 545 CB TYR A 73 32.846 50.174 40.778 1.00 0.00 ATOM 546 CG TYR A 73 31.560 49.514 40.302 1.00 0.00 ATOM 547 CD1 TYR A 73 30.362 49.697 40.991 1.00 0.00 ATOM 548 CD2 TYR A 73 31.564 48.663 39.200 1.00 0.00 ATOM 549 CE1 TYR A 73 29.194 49.035 40.600 1.00 0.00 ATOM 550 CE2 TYR A 73 30.418 47.986 38.807 1.00 0.00 ATOM 551 CZ TYR A 73 29.230 48.166 39.512 1.00 0.00 ATOM 552 OH TYR A 73 28.103 47.425 39.160 1.00 0.00 ATOM 553 O TYR A 73 32.974 47.095 42.105 1.00 0.00 ATOM 554 C TYR A 73 33.749 47.920 41.602 1.00 0.00 ATOM 555 N LEU A 74 34.744 47.506 40.813 1.00 0.00 ATOM 556 CA LEU A 74 35.005 46.088 40.597 1.00 0.00 ATOM 557 CB LEU A 74 36.056 45.890 39.527 1.00 0.00 ATOM 558 CG LEU A 74 35.675 46.408 38.133 1.00 0.00 ATOM 559 CD1 LEU A 74 36.904 46.350 37.236 1.00 0.00 ATOM 560 CD2 LEU A 74 34.500 45.625 37.482 1.00 0.00 ATOM 561 O LEU A 74 35.120 44.114 41.953 1.00 0.00 ATOM 562 C LEU A 74 35.330 45.331 41.857 1.00 0.00 ATOM 563 N GLN A 75 35.830 46.070 42.855 1.00 0.00 ATOM 564 CA GLN A 75 36.117 45.485 44.161 1.00 0.00 ATOM 565 CB GLN A 75 37.040 46.400 44.968 1.00 0.00 ATOM 566 CG GLN A 75 38.416 46.595 44.349 1.00 0.00 ATOM 567 CD GLN A 75 39.261 47.596 45.112 1.00 0.00 ATOM 568 OE1 GLN A 75 38.762 48.304 45.987 1.00 0.00 ATOM 569 NE2 GLN A 75 40.545 47.659 44.781 1.00 0.00 ATOM 570 O GLN A 75 34.724 44.382 45.794 1.00 0.00 ATOM 571 C GLN A 75 34.902 45.380 45.091 1.00 0.00 ATOM 572 N GLN A 76 33.958 46.495 45.000 1.00 0.00 ATOM 573 CA GLN A 76 32.782 46.564 45.866 1.00 0.00 ATOM 574 CB GLN A 76 31.848 47.760 45.664 1.00 0.00 ATOM 575 CG GLN A 76 32.490 49.105 45.958 1.00 0.00 ATOM 576 CD GLN A 76 31.574 50.270 45.638 1.00 0.00 ATOM 577 OE1 GLN A 76 30.479 50.083 45.109 1.00 0.00 ATOM 578 NE2 GLN A 76 32.021 51.478 45.962 1.00 0.00 ATOM 579 O GLN A 76 31.717 44.644 46.834 1.00 0.00 ATOM 580 C GLN A 76 31.994 45.265 45.803 1.00 0.00 ATOM 581 N LYS A 77 31.606 44.867 44.594 1.00 0.00 ATOM 582 CA LYS A 77 30.857 43.628 44.428 1.00 0.00 ATOM 583 CB LYS A 77 30.343 43.506 42.992 1.00 0.00 ATOM 584 CG LYS A 77 29.234 44.486 42.645 1.00 0.00 ATOM 585 CD LYS A 77 28.748 44.287 41.219 1.00 0.00 ATOM 586 CE LYS A 77 27.689 45.312 40.848 1.00 0.00 ATOM 587 NZ LYS A 77 26.441 45.133 41.641 1.00 0.00 ATOM 588 O LYS A 77 31.272 41.476 45.391 1.00 0.00 ATOM 589 C LYS A 77 31.718 42.417 44.736 1.00 0.00 ATOM 590 N LYS A 78 32.964 42.449 44.278 1.00 0.00 ATOM 591 CA LYS A 78 33.870 41.331 44.501 1.00 0.00 ATOM 592 CB LYS A 78 35.245 41.628 43.898 1.00 0.00 ATOM 593 CG LYS A 78 36.247 40.493 44.048 1.00 0.00 ATOM 594 CD LYS A 78 37.564 40.827 43.368 1.00 0.00 ATOM 595 CE LYS A 78 38.581 39.715 43.561 1.00 0.00 ATOM 596 NZ LYS A 78 39.886 40.037 42.918 1.00 0.00 ATOM 597 O LYS A 78 33.922 39.938 46.455 1.00 0.00 ATOM 598 C LYS A 78 34.042 41.074 45.996 1.00 0.00 ATOM 599 N THR A 79 34.309 42.132 46.755 1.00 0.00 ATOM 600 CA THR A 79 34.483 41.998 48.196 1.00 0.00 ATOM 601 CB THR A 79 34.883 43.335 48.845 1.00 0.00 ATOM 602 CG2 THR A 79 36.189 43.844 48.254 1.00 0.00 ATOM 603 OG1 THR A 79 33.857 44.309 48.612 1.00 0.00 ATOM 604 O THR A 79 33.229 41.061 50.012 1.00 0.00 ATOM 605 C THR A 79 33.198 41.532 48.875 1.00 0.00 ATOM 606 N GLU A 80 32.073 41.665 48.174 1.00 0.00 ATOM 607 CA GLU A 80 30.780 41.238 48.704 1.00 0.00 ATOM 608 CB GLU A 80 29.788 42.511 48.598 1.00 0.00 ATOM 609 CG GLU A 80 30.140 43.786 49.377 1.00 0.00 ATOM 610 CD GLU A 80 30.444 43.582 50.862 1.00 0.00 ATOM 611 OE1 GLU A 80 29.996 42.564 51.428 1.00 0.00 ATOM 612 OE2 GLU A 80 31.141 44.441 51.465 1.00 0.00 ATOM 613 O GLU A 80 29.444 39.244 48.752 1.00 0.00 ATOM 614 C GLU A 80 30.475 39.794 48.323 1.00 0.00 ATOM 615 N GLY A 81 31.295 39.144 47.530 1.00 0.00 ATOM 616 CA GLY A 81 31.049 37.762 47.145 1.00 0.00 ATOM 617 O GLY A 81 30.396 36.398 45.293 1.00 0.00 ATOM 618 C GLY A 81 30.638 37.536 45.700 1.00 0.00 ATOM 619 N TYR A 82 30.596 38.599 44.905 1.00 0.00 ATOM 620 CA TYR A 82 30.219 38.467 43.498 1.00 0.00 ATOM 621 CB TYR A 82 29.572 39.754 43.001 1.00 0.00 ATOM 622 CG TYR A 82 28.254 40.070 43.653 1.00 0.00 ATOM 623 CD1 TYR A 82 27.069 39.509 43.171 1.00 0.00 ATOM 624 CD2 TYR A 82 28.181 40.948 44.741 1.00 0.00 ATOM 625 CE1 TYR A 82 25.843 39.815 43.750 1.00 0.00 ATOM 626 CE2 TYR A 82 26.956 41.259 45.332 1.00 0.00 ATOM 627 CZ TYR A 82 25.792 40.690 44.829 1.00 0.00 ATOM 628 OH TYR A 82 24.574 40.990 45.396 1.00 0.00 ATOM 629 O TYR A 82 32.499 38.708 42.818 1.00 0.00 ATOM 630 C TYR A 82 31.434 38.124 42.644 1.00 0.00 ATOM 631 N THR A 83 31.282 37.172 41.727 1.00 0.00 ATOM 632 CA THR A 83 32.387 36.837 40.836 1.00 0.00 ATOM 633 CB THR A 83 32.278 35.390 40.322 1.00 0.00 ATOM 634 CG2 THR A 83 33.419 35.077 39.367 1.00 0.00 ATOM 635 OG1 THR A 83 32.333 34.480 41.427 1.00 0.00 ATOM 636 O THR A 83 31.194 38.105 39.182 1.00 0.00 ATOM 637 C THR A 83 32.289 37.828 39.682 1.00 0.00 ATOM 638 N ILE A 84 33.427 38.380 39.281 1.00 0.00 ATOM 639 CA ILE A 84 33.463 39.342 38.189 1.00 0.00 ATOM 640 CB ILE A 84 34.473 40.462 38.500 1.00 0.00 ATOM 641 CG1 ILE A 84 34.149 41.094 39.880 1.00 0.00 ATOM 642 CG2 ILE A 84 34.526 41.523 37.411 1.00 0.00 ATOM 643 CD1 ILE A 84 35.219 42.063 40.374 1.00 0.00 ATOM 644 O ILE A 84 34.968 38.082 36.802 1.00 0.00 ATOM 645 C ILE A 84 33.856 38.601 36.915 1.00 0.00 ATOM 646 N ILE A 85 32.925 38.555 35.966 1.00 0.00 ATOM 647 CA ILE A 85 33.110 37.867 34.692 1.00 0.00 ATOM 648 CB ILE A 85 32.088 36.677 34.517 1.00 0.00 ATOM 649 CG1 ILE A 85 32.258 36.023 33.143 1.00 0.00 ATOM 650 CG2 ILE A 85 30.689 37.224 34.656 1.00 0.00 ATOM 651 CD1 ILE A 85 31.982 34.553 33.137 1.00 0.00 ATOM 652 O ILE A 85 32.208 39.531 33.240 1.00 0.00 ATOM 653 C ILE A 85 33.206 38.908 33.586 1.00 0.00 ATOM 654 N GLY A 86 34.390 39.053 32.971 1.00 0.00 ATOM 655 CA GLY A 86 34.524 40.028 31.901 1.00 0.00 ATOM 656 O GLY A 86 35.669 38.590 30.362 1.00 0.00 ATOM 657 C GLY A 86 34.870 39.509 30.518 1.00 0.00 ATOM 658 N VAL A 87 34.263 40.115 29.502 1.00 0.00 ATOM 659 CA VAL A 87 34.542 39.738 28.122 1.00 0.00 ATOM 660 CB VAL A 87 33.471 40.284 27.159 1.00 0.00 ATOM 661 CG1 VAL A 87 33.823 39.937 25.721 1.00 0.00 ATOM 662 CG2 VAL A 87 32.112 39.683 27.480 1.00 0.00 ATOM 663 O VAL A 87 36.085 41.557 27.879 1.00 0.00 ATOM 664 C VAL A 87 35.907 40.339 27.811 1.00 0.00 ATOM 665 N GLU A 88 36.867 39.481 27.494 1.00 0.00 ATOM 666 CA GLU A 88 38.229 39.920 27.188 1.00 0.00 ATOM 667 CB GLU A 88 39.171 39.619 28.355 1.00 0.00 ATOM 668 CG GLU A 88 40.612 40.039 28.113 1.00 0.00 ATOM 669 CD GLU A 88 40.755 41.532 27.899 1.00 0.00 ATOM 670 OE1 GLU A 88 40.313 42.304 28.776 1.00 0.00 ATOM 671 OE2 GLU A 88 41.309 41.933 26.853 1.00 0.00 ATOM 672 O GLU A 88 38.781 37.934 25.955 1.00 0.00 ATOM 673 C GLU A 88 38.683 39.162 25.945 1.00 0.00 ATOM 674 N GLN A 89 38.932 39.901 24.869 1.00 0.00 ATOM 675 CA GLN A 89 39.339 39.303 23.599 1.00 0.00 ATOM 676 CB GLN A 89 39.150 40.301 22.454 1.00 0.00 ATOM 677 CG GLN A 89 39.308 39.691 21.070 1.00 0.00 ATOM 678 CD GLN A 89 39.176 40.719 19.963 1.00 0.00 ATOM 679 OE1 GLN A 89 38.825 41.872 20.212 1.00 0.00 ATOM 680 NE2 GLN A 89 39.458 40.303 18.734 1.00 0.00 ATOM 681 O GLN A 89 41.700 39.722 23.445 1.00 0.00 ATOM 682 C GLN A 89 40.807 38.908 23.676 1.00 0.00 ATOM 683 N THR A 90 41.042 37.649 24.022 1.00 0.00 ATOM 684 CA THR A 90 42.394 37.139 24.160 1.00 0.00 ATOM 685 CB THR A 90 43.019 37.555 25.503 1.00 0.00 ATOM 686 CG2 THR A 90 42.255 36.932 26.663 1.00 0.00 ATOM 687 OG1 THR A 90 44.381 37.115 25.557 1.00 0.00 ATOM 688 O THR A 90 41.322 35.021 24.358 1.00 0.00 ATOM 689 C THR A 90 42.326 35.643 24.024 1.00 0.00 ATOM 690 N ALA A 91 43.428 35.040 23.544 1.00 0.00 ATOM 691 CA ALA A 91 43.576 33.589 23.505 1.00 0.00 ATOM 692 CB ALA A 91 44.818 33.193 22.721 1.00 0.00 ATOM 693 O ALA A 91 43.427 31.763 25.054 1.00 0.00 ATOM 694 C ALA A 91 43.644 32.965 24.900 1.00 0.00 ATOM 695 N LYS A 92 43.920 33.768 25.900 1.00 0.00 ATOM 696 CA LYS A 92 44.008 33.284 27.277 1.00 0.00 ATOM 697 CB LYS A 92 44.843 34.245 28.125 1.00 0.00 ATOM 698 CG LYS A 92 46.311 34.305 27.731 1.00 0.00 ATOM 699 CD LYS A 92 47.077 35.285 28.604 1.00 0.00 ATOM 700 CE LYS A 92 48.550 35.326 28.227 1.00 0.00 ATOM 701 NZ LYS A 92 49.317 36.265 29.090 1.00 0.00 ATOM 702 O LYS A 92 42.480 32.498 28.961 1.00 0.00 ATOM 703 C LYS A 92 42.629 33.159 27.931 1.00 0.00 ATOM 704 N SER A 93 41.628 33.798 27.332 1.00 0.00 ATOM 705 CA SER A 93 40.271 33.757 27.869 1.00 0.00 ATOM 706 CB SER A 93 39.421 34.868 27.205 1.00 0.00 ATOM 707 OG SER A 93 39.165 34.520 25.855 1.00 0.00 ATOM 708 O SER A 93 40.094 31.604 26.826 1.00 0.00 ATOM 709 C SER A 93 39.642 32.384 27.662 1.00 0.00 ATOM 710 N LEU A 94 38.589 32.093 28.417 1.00 0.00 ATOM 711 CA LEU A 94 37.921 30.809 28.301 1.00 0.00 ATOM 712 CB LEU A 94 37.686 30.193 29.682 1.00 0.00 ATOM 713 CG LEU A 94 38.930 29.968 30.543 1.00 0.00 ATOM 714 CD1 LEU A 94 38.544 29.446 31.919 1.00 0.00 ATOM 715 CD2 LEU A 94 39.857 28.952 29.893 1.00 0.00 ATOM 716 O LEU A 94 35.946 32.019 27.672 1.00 0.00 ATOM 717 C LEU A 94 36.552 30.945 27.649 1.00 0.00 ATOM 718 N ASP A 95 36.082 29.849 27.063 1.00 0.00 ATOM 719 CA ASP A 95 34.777 29.796 26.414 1.00 0.00 ATOM 720 CB ASP A 95 34.474 28.376 25.931 1.00 0.00 ATOM 721 CG ASP A 95 35.311 27.976 24.733 1.00 0.00 ATOM 722 OD1 ASP A 95 35.982 28.857 24.158 1.00 0.00 ATOM 723 OD2 ASP A 95 35.296 26.782 24.368 1.00 0.00 ATOM 724 O ASP A 95 33.743 29.751 28.587 1.00 0.00 ATOM 725 C ASP A 95 33.745 30.245 27.456 1.00 0.00 ATOM 726 N LEU A 96 32.880 31.186 27.077 1.00 0.00 ATOM 727 CA LEU A 96 31.878 31.723 28.000 1.00 0.00 ATOM 728 CB LEU A 96 30.951 32.700 27.274 1.00 0.00 ATOM 729 CG LEU A 96 31.584 34.006 26.792 1.00 0.00 ATOM 730 CD1 LEU A 96 30.590 34.816 25.974 1.00 0.00 ATOM 731 CD2 LEU A 96 32.033 34.854 27.971 1.00 0.00 ATOM 732 O LEU A 96 30.289 31.001 29.646 1.00 0.00 ATOM 733 C LEU A 96 30.949 30.696 28.651 1.00 0.00 ATOM 734 N THR A 97 30.861 29.499 28.088 1.00 0.00 ATOM 735 CA THR A 97 29.988 28.484 28.671 1.00 0.00 ATOM 736 CB THR A 97 29.573 27.425 27.633 1.00 0.00 ATOM 737 CG2 THR A 97 28.816 28.074 26.483 1.00 0.00 ATOM 738 OG1 THR A 97 30.743 26.779 27.112 1.00 0.00 ATOM 739 O THR A 97 29.995 26.923 30.499 1.00 0.00 ATOM 740 C THR A 97 30.647 27.723 29.826 1.00 0.00 ATOM 741 N GLN A 98 31.916 28.013 30.091 1.00 0.00 ATOM 742 CA GLN A 98 32.635 27.331 31.167 1.00 0.00 ATOM 743 CB GLN A 98 34.137 27.310 30.880 1.00 0.00 ATOM 744 CG GLN A 98 34.516 26.557 29.614 1.00 0.00 ATOM 745 CD GLN A 98 36.007 26.587 29.344 1.00 0.00 ATOM 746 OE1 GLN A 98 36.782 27.121 30.138 1.00 0.00 ATOM 747 NE2 GLN A 98 36.414 26.009 28.219 1.00 0.00 ATOM 748 O GLN A 98 32.872 27.447 33.562 1.00 0.00 ATOM 749 C GLN A 98 32.457 27.996 32.536 1.00 0.00 ATOM 750 N TYR A 99 31.845 29.189 32.561 1.00 0.00 ATOM 751 CA TYR A 99 31.598 29.892 33.814 1.00 0.00 ATOM 752 CB TYR A 99 31.505 31.400 33.573 1.00 0.00 ATOM 753 CG TYR A 99 31.284 32.208 34.833 1.00 0.00 ATOM 754 CD1 TYR A 99 32.340 32.493 35.689 1.00 0.00 ATOM 755 CD2 TYR A 99 30.021 32.684 35.160 1.00 0.00 ATOM 756 CE1 TYR A 99 32.148 33.232 36.842 1.00 0.00 ATOM 757 CE2 TYR A 99 29.811 33.424 36.309 1.00 0.00 ATOM 758 CZ TYR A 99 30.888 33.694 37.151 1.00 0.00 ATOM 759 OH TYR A 99 30.694 34.430 38.298 1.00 0.00 ATOM 760 O TYR A 99 29.370 28.988 33.746 1.00 0.00 ATOM 761 C TYR A 99 30.288 29.426 34.444 1.00 0.00 ATOM 762 N CYS A 100 30.231 29.459 35.773 1.00 0.00 ATOM 763 CA CYS A 100 29.023 29.079 36.503 1.00 0.00 ATOM 764 CB CYS A 100 29.391 28.123 37.661 1.00 0.00 ATOM 765 SG CYS A 100 28.013 27.674 38.768 1.00 0.00 ATOM 766 O CYS A 100 28.637 31.076 37.780 1.00 0.00 ATOM 767 C CYS A 100 28.287 30.382 36.828 1.00 0.00 ATOM 768 N PHE A 101 27.269 30.707 36.032 1.00 0.00 ATOM 769 CA PHE A 101 26.514 31.943 36.230 1.00 0.00 ATOM 770 CB PHE A 101 25.819 32.357 34.931 1.00 0.00 ATOM 771 CG PHE A 101 26.763 32.830 33.863 1.00 0.00 ATOM 772 CD1 PHE A 101 27.140 31.987 32.831 1.00 0.00 ATOM 773 CD2 PHE A 101 27.274 34.115 33.889 1.00 0.00 ATOM 774 CE1 PHE A 101 28.008 32.422 31.848 1.00 0.00 ATOM 775 CE2 PHE A 101 28.143 34.550 32.906 1.00 0.00 ATOM 776 CZ PHE A 101 28.510 33.710 31.887 1.00 0.00 ATOM 777 O PHE A 101 24.779 32.866 37.586 1.00 0.00 ATOM 778 C PHE A 101 25.438 31.866 37.311 1.00 0.00 ATOM 779 N PRO A 102 25.262 30.702 37.930 1.00 0.00 ATOM 780 CA PRO A 102 24.238 30.553 38.969 1.00 0.00 ATOM 781 CB PRO A 102 23.905 29.071 39.014 1.00 0.00 ATOM 782 CG PRO A 102 24.526 28.477 37.818 1.00 0.00 ATOM 783 CD PRO A 102 25.528 29.438 37.263 1.00 0.00 ATOM 784 O PRO A 102 23.762 31.312 41.192 1.00 0.00 ATOM 785 C PRO A 102 24.617 31.143 40.325 1.00 0.00 ATOM 786 N GLU A 103 25.898 31.445 40.512 1.00 0.00 ATOM 787 CA GLU A 103 26.360 32.044 41.764 1.00 0.00 ATOM 788 CB GLU A 103 27.780 31.580 42.089 1.00 0.00 ATOM 789 CG GLU A 103 27.902 30.086 42.345 1.00 0.00 ATOM 790 CD GLU A 103 29.322 29.664 42.665 1.00 0.00 ATOM 791 OE1 GLU A 103 30.226 30.524 42.604 1.00 0.00 ATOM 792 OE2 GLU A 103 29.531 28.472 42.977 1.00 0.00 ATOM 793 O GLU A 103 26.186 34.046 40.466 1.00 0.00 ATOM 794 C GLU A 103 26.336 33.563 41.584 1.00 0.00 ATOM 795 N LYS A 104 26.361 34.403 42.728 1.00 0.00 ATOM 796 CA LYS A 104 26.356 35.867 42.596 1.00 0.00 ATOM 797 CB LYS A 104 26.522 36.521 43.989 1.00 0.00 ATOM 798 CG LYS A 104 25.499 36.064 45.029 1.00 0.00 ATOM 799 CD LYS A 104 25.828 36.616 46.413 1.00 0.00 ATOM 800 CE LYS A 104 24.678 36.407 47.386 1.00 0.00 ATOM 801 NZ LYS A 104 24.988 37.022 48.704 1.00 0.00 ATOM 802 O LYS A 104 28.603 36.022 41.739 1.00 0.00 ATOM 803 C LYS A 104 27.398 36.257 41.555 1.00 0.00 ATOM 804 N SER A 105 26.941 36.926 40.502 1.00 0.00 ATOM 805 CA SER A 105 27.812 37.301 39.397 1.00 0.00 ATOM 806 CB SER A 105 27.660 36.318 38.234 1.00 0.00 ATOM 807 OG SER A 105 28.498 36.676 37.149 1.00 0.00 ATOM 808 O SER A 105 26.357 39.158 38.841 1.00 0.00 ATOM 809 C SER A 105 27.515 38.695 38.850 1.00 0.00 ATOM 810 N LEU A 106 28.617 39.367 38.488 1.00 0.00 ATOM 811 CA LEU A 106 28.592 40.641 37.786 1.00 0.00 ATOM 812 CB LEU A 106 29.399 41.693 38.549 1.00 0.00 ATOM 813 CG LEU A 106 29.490 43.077 37.904 1.00 0.00 ATOM 814 CD1 LEU A 106 28.112 43.708 37.786 1.00 0.00 ATOM 815 CD2 LEU A 106 30.366 44.002 38.736 1.00 0.00 ATOM 816 O LEU A 106 30.386 39.968 36.351 1.00 0.00 ATOM 817 C LEU A 106 29.220 40.366 36.420 1.00 0.00 ATOM 818 N LEU A 107 28.440 40.530 35.349 1.00 0.00 ATOM 819 CA LEU A 107 28.938 40.354 33.984 1.00 0.00 ATOM 820 CB LEU A 107 27.866 39.647 33.150 1.00 0.00 ATOM 821 CG LEU A 107 28.014 39.643 31.624 1.00 0.00 ATOM 822 CD1 LEU A 107 29.332 38.982 31.169 1.00 0.00 ATOM 823 CD2 LEU A 107 26.806 38.944 31.018 1.00 0.00 ATOM 824 O LEU A 107 28.514 42.617 33.333 1.00 0.00 ATOM 825 C LEU A 107 29.345 41.715 33.423 1.00 0.00 ATOM 826 N LEU A 108 30.596 41.850 33.033 1.00 0.00 ATOM 827 CA LEU A 108 31.085 43.114 32.489 1.00 0.00 ATOM 828 CB LEU A 108 32.411 43.505 33.149 1.00 0.00 ATOM 829 CG LEU A 108 33.071 44.786 32.635 1.00 0.00 ATOM 830 CD1 LEU A 108 32.205 45.998 32.943 1.00 0.00 ATOM 831 CD2 LEU A 108 34.427 44.991 33.294 1.00 0.00 ATOM 832 O LEU A 108 31.941 42.031 30.528 1.00 0.00 ATOM 833 C LEU A 108 31.275 42.963 30.985 1.00 0.00 ATOM 834 N LEU A 109 30.684 43.884 30.224 1.00 0.00 ATOM 835 CA LEU A 109 30.783 43.870 28.767 1.00 0.00 ATOM 836 CB LEU A 109 29.488 43.355 28.143 1.00 0.00 ATOM 837 CG LEU A 109 29.336 43.431 26.617 1.00 0.00 ATOM 838 CD1 LEU A 109 30.270 42.432 25.953 1.00 0.00 ATOM 839 CD2 LEU A 109 27.897 43.127 26.232 1.00 0.00 ATOM 840 O LEU A 109 30.370 46.189 28.769 1.00 0.00 ATOM 841 C LEU A 109 30.977 45.263 28.251 1.00 0.00 ATOM 842 N GLY A 110 31.855 45.438 27.262 1.00 0.00 ATOM 843 CA GLY A 110 32.027 46.762 26.723 1.00 0.00 ATOM 844 O GLY A 110 32.613 45.909 24.579 1.00 0.00 ATOM 845 C GLY A 110 32.544 46.896 25.311 1.00 0.00 ATOM 846 N ASN A 111 32.916 48.143 24.965 1.00 0.00 ATOM 847 CA ASN A 111 33.382 48.425 23.606 1.00 0.00 ATOM 848 CB ASN A 111 32.045 49.082 22.933 1.00 0.00 ATOM 849 CG ASN A 111 31.756 48.896 21.472 1.00 0.00 ATOM 850 ND2 ASN A 111 30.496 49.216 21.095 1.00 0.00 ATOM 851 OD1 ASN A 111 32.667 48.594 20.668 1.00 0.00 ATOM 852 O ASN A 111 35.155 49.805 22.803 1.00 0.00 ATOM 853 C ASN A 111 34.811 48.944 23.615 1.00 0.00 ATOM 854 N GLU A 112 35.627 48.483 24.558 1.00 0.00 ATOM 855 CA GLU A 112 37.024 48.908 24.569 1.00 0.00 ATOM 856 CB GLU A 112 37.720 48.433 25.818 1.00 0.00 ATOM 857 CG GLU A 112 39.239 48.472 25.726 1.00 0.00 ATOM 858 CD GLU A 112 39.784 49.867 25.480 1.00 0.00 ATOM 859 OE1 GLU A 112 40.606 50.030 24.554 1.00 0.00 ATOM 860 OE2 GLU A 112 39.395 50.800 26.217 1.00 0.00 ATOM 861 O GLU A 112 37.038 47.011 23.109 1.00 0.00 ATOM 862 C GLU A 112 37.686 47.940 23.594 1.00 0.00 ATOM 863 N ARG A 113 38.948 48.183 23.266 1.00 0.00 ATOM 864 CA ARG A 113 39.674 47.354 22.307 1.00 0.00 ATOM 865 CB ARG A 113 41.141 47.640 22.284 1.00 0.00 ATOM 866 CG ARG A 113 41.915 47.225 23.470 1.00 0.00 ATOM 867 CD ARG A 113 43.431 47.376 23.259 1.00 0.00 ATOM 868 NE ARG A 113 43.720 48.773 22.959 1.00 0.00 ATOM 869 CZ ARG A 113 43.865 49.735 23.863 1.00 0.00 ATOM 870 NH1 ARG A 113 43.871 49.440 25.162 1.00 0.00 ATOM 871 NH2 ARG A 113 44.045 50.989 23.483 1.00 0.00 ATOM 872 O ARG A 113 39.242 45.147 21.461 1.00 0.00 ATOM 873 C ARG A 113 39.489 45.844 22.449 1.00 0.00 ATOM 874 N GLU A 114 39.609 45.332 23.671 1.00 0.00 ATOM 875 CA GLU A 114 39.458 43.895 23.893 1.00 0.00 ATOM 876 CB GLU A 114 40.800 43.230 23.804 1.00 0.00 ATOM 877 CG GLU A 114 41.340 43.154 22.387 1.00 0.00 ATOM 878 CD GLU A 114 42.834 43.011 22.375 1.00 0.00 ATOM 879 OE1 GLU A 114 43.406 42.718 23.447 1.00 0.00 ATOM 880 OE2 GLU A 114 43.411 43.189 21.291 1.00 0.00 ATOM 881 O GLU A 114 38.105 42.494 25.309 1.00 0.00 ATOM 882 C GLU A 114 38.192 43.552 24.686 1.00 0.00 ATOM 883 N GLY A 115 37.204 44.438 24.634 1.00 0.00 ATOM 884 CA GLY A 115 35.962 44.212 25.356 1.00 0.00 ATOM 885 O GLY A 115 35.419 46.323 26.353 1.00 0.00 ATOM 886 C GLY A 115 35.909 45.200 26.504 1.00 0.00 ATOM 887 N ILE A 116 36.411 44.781 27.659 1.00 0.00 ATOM 888 CA ILE A 116 36.466 45.656 28.816 1.00 0.00 ATOM 889 CB ILE A 116 36.238 44.877 30.124 1.00 0.00 ATOM 890 CG1 ILE A 116 37.358 43.855 30.338 1.00 0.00 ATOM 891 CG2 ILE A 116 34.910 44.136 30.078 1.00 0.00 ATOM 892 CD1 ILE A 116 37.357 43.228 31.715 1.00 0.00 ATOM 893 O ILE A 116 38.741 45.841 28.067 1.00 0.00 ATOM 894 C ILE A 116 37.862 46.275 28.812 1.00 0.00 ATOM 895 N PRO A 117 38.066 47.288 29.640 1.00 0.00 ATOM 896 CA PRO A 117 39.365 47.945 29.707 1.00 0.00 ATOM 897 CB PRO A 117 38.997 49.380 30.169 1.00 0.00 ATOM 898 CG PRO A 117 37.911 49.052 31.148 1.00 0.00 ATOM 899 CD PRO A 117 37.070 47.990 30.461 1.00 0.00 ATOM 900 O PRO A 117 39.937 46.363 31.411 1.00 0.00 ATOM 901 C PRO A 117 40.351 47.098 30.488 1.00 0.00 ATOM 902 N ALA A 118 41.612 47.273 30.258 1.00 0.00 ATOM 903 CA ALA A 118 42.682 46.556 30.975 1.00 0.00 ATOM 904 CB ALA A 118 44.076 46.969 30.529 1.00 0.00 ATOM 905 O ALA A 118 42.859 45.866 33.274 1.00 0.00 ATOM 906 C ALA A 118 42.557 46.765 32.486 1.00 0.00 ATOM 907 N ASN A 119 42.114 47.955 32.880 1.00 0.00 ATOM 908 CA ASN A 119 41.947 48.282 34.294 1.00 0.00 ATOM 909 CB ASN A 119 41.454 49.722 34.455 1.00 0.00 ATOM 910 CG ASN A 119 42.533 50.744 34.157 1.00 0.00 ATOM 911 ND2 ASN A 119 42.119 51.974 33.872 1.00 0.00 ATOM 912 OD1 ASN A 119 43.723 50.431 34.184 1.00 0.00 ATOM 913 O ASN A 119 41.129 46.815 36.018 1.00 0.00 ATOM 914 C ASN A 119 40.927 47.334 34.918 1.00 0.00 ATOM 915 N LEU A 120 39.834 47.103 34.203 1.00 0.00 ATOM 916 CA LEU A 120 38.791 46.212 34.694 1.00 0.00 ATOM 917 CB LEU A 120 37.500 46.401 33.845 1.00 0.00 ATOM 918 CG LEU A 120 36.869 47.802 33.974 1.00 0.00 ATOM 919 CD1 LEU A 120 35.634 47.858 33.083 1.00 0.00 ATOM 920 CD2 LEU A 120 36.389 48.082 35.411 1.00 0.00 ATOM 921 O LEU A 120 38.924 44.003 35.671 1.00 0.00 ATOM 922 C LEU A 120 39.172 44.722 34.711 1.00 0.00 ATOM 923 N ILE A 121 39.766 44.274 33.598 1.00 0.00 ATOM 924 CA ILE A 121 40.159 42.883 33.478 1.00 0.00 ATOM 925 CB ILE A 121 40.801 42.562 32.116 1.00 0.00 ATOM 926 CG1 ILE A 121 40.888 41.049 31.910 1.00 0.00 ATOM 927 CG2 ILE A 121 42.205 43.140 32.039 1.00 0.00 ATOM 928 CD1 ILE A 121 39.541 40.366 31.820 1.00 0.00 ATOM 929 O ILE A 121 41.247 41.307 34.924 1.00 0.00 ATOM 930 C ILE A 121 41.174 42.475 34.548 1.00 0.00 ATOM 931 N GLN A 122 41.938 43.443 35.046 1.00 0.00 ATOM 932 CA GLN A 122 42.937 43.175 36.075 1.00 0.00 ATOM 933 CB GLN A 122 43.711 44.451 36.417 1.00 0.00 ATOM 934 CG GLN A 122 44.656 44.914 35.321 1.00 0.00 ATOM 935 CD GLN A 122 45.346 46.220 35.661 1.00 0.00 ATOM 936 OE1 GLN A 122 45.091 46.814 36.710 1.00 0.00 ATOM 937 NE2 GLN A 122 46.226 46.673 34.774 1.00 0.00 ATOM 938 O GLN A 122 42.983 41.935 38.126 1.00 0.00 ATOM 939 C GLN A 122 42.328 42.661 37.378 1.00 0.00 ATOM 940 N GLN A 123 41.074 43.020 37.638 1.00 0.00 ATOM 941 CA GLN A 123 40.405 42.594 38.860 1.00 0.00 ATOM 942 CB GLN A 123 39.669 43.769 39.504 1.00 0.00 ATOM 943 CG GLN A 123 40.568 44.939 39.871 1.00 0.00 ATOM 944 CD GLN A 123 41.629 44.562 40.886 1.00 0.00 ATOM 945 OE1 GLN A 123 41.330 43.954 41.915 1.00 0.00 ATOM 946 NE2 GLN A 123 42.875 44.923 40.600 1.00 0.00 ATOM 947 O GLN A 123 38.798 40.969 39.638 1.00 0.00 ATOM 948 C GLN A 123 39.430 41.450 38.684 1.00 0.00 ATOM 949 N LEU A 124 39.260 41.012 37.423 1.00 0.00 ATOM 950 CA LEU A 124 38.234 40.019 37.093 1.00 0.00 ATOM 951 CB LEU A 124 38.146 39.853 35.575 1.00 0.00 ATOM 952 CG LEU A 124 37.626 41.057 34.788 1.00 0.00 ATOM 953 CD1 LEU A 124 37.704 40.799 33.292 1.00 0.00 ATOM 954 CD2 LEU A 124 36.176 41.347 35.146 1.00 0.00 ATOM 955 O LEU A 124 39.725 38.282 37.815 1.00 0.00 ATOM 956 C LEU A 124 38.561 38.640 37.663 1.00 0.00 ATOM 957 N ASP A 125 37.518 37.875 37.968 1.00 0.00 ATOM 958 CA ASP A 125 37.663 36.521 38.490 1.00 0.00 ATOM 959 CB ASP A 125 36.481 36.167 39.395 1.00 0.00 ATOM 960 CG ASP A 125 36.498 36.933 40.703 1.00 0.00 ATOM 961 OD1 ASP A 125 37.553 37.513 41.039 1.00 0.00 ATOM 962 OD2 ASP A 125 35.457 36.952 41.394 1.00 0.00 ATOM 963 O ASP A 125 38.365 34.524 37.348 1.00 0.00 ATOM 964 C ASP A 125 37.709 35.566 37.304 1.00 0.00 ATOM 965 N VAL A 126 36.996 35.932 36.244 1.00 0.00 ATOM 966 CA VAL A 126 36.954 35.127 35.028 1.00 0.00 ATOM 967 CB VAL A 126 35.614 34.381 34.893 1.00 0.00 ATOM 968 CG1 VAL A 126 35.575 33.589 33.595 1.00 0.00 ATOM 969 CG2 VAL A 126 35.424 33.414 36.051 1.00 0.00 ATOM 970 O VAL A 126 36.541 37.108 33.734 1.00 0.00 ATOM 971 C VAL A 126 37.126 36.025 33.806 1.00 0.00 ATOM 972 N CYS A 127 37.929 35.566 32.851 1.00 0.00 ATOM 973 CA CYS A 127 38.158 36.289 31.602 1.00 0.00 ATOM 974 CB CYS A 127 39.655 36.523 31.386 1.00 0.00 ATOM 975 SG CYS A 127 40.449 37.519 32.669 1.00 0.00 ATOM 976 O CYS A 127 38.041 34.265 30.343 1.00 0.00 ATOM 977 C CYS A 127 37.573 35.383 30.528 1.00 0.00 ATOM 978 N VAL A 128 36.557 35.862 29.818 1.00 0.00 ATOM 979 CA VAL A 128 35.888 35.033 28.821 1.00 0.00 ATOM 980 CB VAL A 128 34.395 34.851 29.148 1.00 0.00 ATOM 981 CG1 VAL A 128 34.224 34.143 30.483 1.00 0.00 ATOM 982 CG2 VAL A 128 33.699 36.202 29.228 1.00 0.00 ATOM 983 O VAL A 128 35.962 36.697 27.085 1.00 0.00 ATOM 984 C VAL A 128 35.866 35.508 27.377 1.00 0.00 ATOM 985 N GLU A 129 35.728 34.544 26.475 1.00 0.00 ATOM 986 CA GLU A 129 35.629 34.825 25.050 1.00 0.00 ATOM 987 CB GLU A 129 36.816 34.255 24.302 1.00 0.00 ATOM 988 CG GLU A 129 36.773 34.602 22.815 1.00 0.00 ATOM 989 CD GLU A 129 38.150 34.652 22.176 1.00 0.00 ATOM 990 OE1 GLU A 129 38.223 34.930 20.959 1.00 0.00 ATOM 991 OE2 GLU A 129 39.154 34.419 22.886 1.00 0.00 ATOM 992 O GLU A 129 34.196 32.914 25.094 1.00 0.00 ATOM 993 C GLU A 129 34.545 33.933 24.489 1.00 0.00 ATOM 994 N ILE A 130 34.003 34.333 23.346 1.00 0.00 ATOM 995 CA ILE A 130 32.985 33.559 22.654 1.00 0.00 ATOM 996 CB ILE A 130 31.954 34.482 22.018 1.00 0.00 ATOM 997 CG1 ILE A 130 31.292 35.310 23.118 1.00 0.00 ATOM 998 CG2 ILE A 130 30.915 33.629 21.302 1.00 0.00 ATOM 999 CD1 ILE A 130 30.285 36.312 22.596 1.00 0.00 ATOM 1000 O ILE A 130 34.450 33.641 20.756 1.00 0.00 ATOM 1001 C ILE A 130 33.726 32.944 21.464 1.00 0.00 ATOM 1002 N PRO A 131 33.572 31.628 21.235 1.00 0.00 ATOM 1003 CA PRO A 131 34.267 30.989 20.111 1.00 0.00 ATOM 1004 CB PRO A 131 33.814 29.529 20.178 1.00 0.00 ATOM 1005 CG PRO A 131 33.444 29.318 21.608 1.00 0.00 ATOM 1006 CD PRO A 131 32.813 30.601 22.069 1.00 0.00 ATOM 1007 O PRO A 131 32.776 32.009 18.535 1.00 0.00 ATOM 1008 C PRO A 131 33.925 31.634 18.778 1.00 0.00 ATOM 1009 N GLN A 132 34.935 31.808 17.918 1.00 0.00 ATOM 1010 CA GLN A 132 34.777 32.405 16.599 1.00 0.00 ATOM 1011 CB GLN A 132 35.472 33.765 16.525 1.00 0.00 ATOM 1012 CG GLN A 132 34.973 34.774 17.546 1.00 0.00 ATOM 1013 CD GLN A 132 33.549 35.218 17.278 1.00 0.00 ATOM 1014 OE1 GLN A 132 33.153 35.412 16.128 1.00 0.00 ATOM 1015 NE2 GLN A 132 32.771 35.382 18.344 1.00 0.00 ATOM 1016 O GLN A 132 36.412 30.819 15.838 1.00 0.00 ATOM 1017 C GLN A 132 35.398 31.464 15.569 1.00 0.00 ATOM 1018 N GLN A 133 34.779 31.368 14.399 1.00 0.00 ATOM 1019 CA GLN A 133 35.285 30.494 13.349 1.00 0.00 ATOM 1020 CB GLN A 133 34.155 29.506 12.981 1.00 0.00 ATOM 1021 CG GLN A 133 33.788 28.587 14.130 1.00 0.00 ATOM 1022 CD GLN A 133 32.514 27.834 13.874 1.00 0.00 ATOM 1023 OE1 GLN A 133 31.437 28.412 13.793 1.00 0.00 ATOM 1024 NE2 GLN A 133 32.651 26.506 13.753 1.00 0.00 ATOM 1025 O GLN A 133 36.352 30.626 11.237 1.00 0.00 ATOM 1026 C GLN A 133 35.688 31.222 12.086 1.00 0.00 ATOM 1027 N GLY A 134 35.165 32.513 11.927 1.00 0.00 ATOM 1028 CA GLY A 134 35.429 33.245 10.720 1.00 0.00 ATOM 1029 O GLY A 134 37.207 34.433 11.823 1.00 0.00 ATOM 1030 C GLY A 134 36.478 34.339 10.830 1.00 0.00 ATOM 1031 N ILE A 135 36.474 35.225 9.791 1.00 0.00 ATOM 1032 CA ILE A 135 37.450 36.312 9.766 1.00 0.00 ATOM 1033 CB ILE A 135 37.359 37.098 8.444 1.00 0.00 ATOM 1034 CG1 ILE A 135 37.677 36.185 7.258 1.00 0.00 ATOM 1035 CG2 ILE A 135 38.350 38.253 8.442 1.00 0.00 ATOM 1036 CD1 ILE A 135 37.371 36.804 5.911 1.00 0.00 ATOM 1037 O ILE A 135 38.378 37.819 11.375 1.00 0.00 ATOM 1038 C ILE A 135 37.360 37.326 10.897 1.00 0.00 ATOM 1039 N ILE A 136 36.139 37.635 11.326 1.00 0.00 ATOM 1040 CA ILE A 136 35.947 38.601 12.402 1.00 0.00 ATOM 1041 CB ILE A 136 34.417 38.912 12.525 1.00 0.00 ATOM 1042 CG1 ILE A 136 34.168 40.003 13.571 1.00 0.00 ATOM 1043 CG2 ILE A 136 33.653 37.625 12.855 1.00 0.00 ATOM 1044 CD1 ILE A 136 32.843 40.731 13.366 1.00 0.00 ATOM 1045 O ILE A 136 36.527 36.925 14.014 1.00 0.00 ATOM 1046 C ILE A 136 36.604 38.107 13.682 1.00 0.00 ATOM 1047 N ARG A 137 37.264 39.017 14.389 1.00 0.00 ATOM 1048 CA ARG A 137 37.937 38.678 15.636 1.00 0.00 ATOM 1049 CB ARG A 137 39.317 39.447 15.622 1.00 0.00 ATOM 1050 CG ARG A 137 40.436 38.713 16.323 1.00 0.00 ATOM 1051 CD ARG A 137 41.734 39.513 16.360 1.00 0.00 ATOM 1052 NE ARG A 137 41.975 40.108 15.048 1.00 0.00 ATOM 1053 CZ ARG A 137 42.436 39.417 14.014 1.00 0.00 ATOM 1054 NH1 ARG A 137 42.933 38.200 14.224 1.00 0.00 ATOM 1055 NH2 ARG A 137 42.415 39.967 12.809 1.00 0.00 ATOM 1056 O ARG A 137 37.220 38.156 17.874 1.00 0.00 ATOM 1057 C ARG A 137 36.978 38.757 16.826 1.00 0.00 ATOM 1058 N SER A 138 35.886 39.496 16.660 1.00 0.00 ATOM 1059 CA SER A 138 34.912 39.640 17.734 1.00 0.00 ATOM 1060 CB SER A 138 35.289 40.811 18.644 1.00 0.00 ATOM 1061 OG SER A 138 35.181 42.047 17.957 1.00 0.00 ATOM 1062 O SER A 138 33.361 40.201 15.995 1.00 0.00 ATOM 1063 C SER A 138 33.523 39.917 17.182 1.00 0.00 ATOM 1064 N LEU A 139 32.529 39.845 18.060 1.00 0.00 ATOM 1065 CA LEU A 139 31.135 40.084 17.688 1.00 0.00 ATOM 1066 CB LEU A 139 30.223 39.071 18.382 1.00 0.00 ATOM 1067 CG LEU A 139 30.542 37.593 18.142 1.00 0.00 ATOM 1068 CD1 LEU A 139 29.601 36.704 18.938 1.00 0.00 ATOM 1069 CD2 LEU A 139 30.395 37.244 16.670 1.00 0.00 ATOM 1070 O LEU A 139 31.393 42.151 18.874 1.00 0.00 ATOM 1071 C LEU A 139 30.702 41.484 18.103 1.00 0.00 ATOM 1072 N ASN A 140 29.574 41.937 17.559 1.00 0.00 ATOM 1073 CA ASN A 140 28.999 43.227 17.941 1.00 0.00 ATOM 1074 CB ASN A 140 27.692 43.476 17.187 1.00 0.00 ATOM 1075 CG ASN A 140 27.909 43.729 15.709 1.00 0.00 ATOM 1076 ND2 ASN A 140 26.875 43.491 14.909 1.00 0.00 ATOM 1077 OD1 ASN A 140 28.994 44.135 15.292 1.00 0.00 ATOM 1078 O ASN A 140 28.321 42.046 19.910 1.00 0.00 ATOM 1079 C ASN A 140 28.774 43.092 19.455 1.00 0.00 ATOM 1080 N VAL A 141 29.153 44.135 20.307 1.00 0.00 ATOM 1081 CA VAL A 141 28.989 44.050 21.762 1.00 0.00 ATOM 1082 CB VAL A 141 29.261 45.406 22.441 1.00 0.00 ATOM 1083 CG1 VAL A 141 28.883 45.349 23.913 1.00 0.00 ATOM 1084 CG2 VAL A 141 30.735 45.767 22.337 1.00 0.00 ATOM 1085 O VAL A 141 27.479 42.790 23.117 1.00 0.00 ATOM 1086 C VAL A 141 27.593 43.628 22.222 1.00 0.00 ATOM 1087 N HIS A 142 26.562 44.168 21.603 1.00 0.00 ATOM 1088 CA HIS A 142 25.180 43.842 21.971 1.00 0.00 ATOM 1089 CB HIS A 142 24.212 44.639 21.169 1.00 0.00 ATOM 1090 CG HIS A 142 22.780 44.243 21.339 1.00 0.00 ATOM 1091 CD2 HIS A 142 22.034 44.171 22.458 1.00 0.00 ATOM 1092 ND1 HIS A 142 21.955 43.835 20.310 1.00 0.00 ATOM 1093 CE1 HIS A 142 20.759 43.553 20.829 1.00 0.00 ATOM 1094 NE2 HIS A 142 20.781 43.744 22.140 1.00 0.00 ATOM 1095 O HIS A 142 24.282 41.671 22.547 1.00 0.00 ATOM 1096 C HIS A 142 24.883 42.362 21.714 1.00 0.00 ATOM 1097 N VAL A 143 25.325 41.868 20.565 1.00 0.00 ATOM 1098 CA VAL A 143 25.100 40.470 20.232 1.00 0.00 ATOM 1099 CB VAL A 143 25.609 40.140 18.816 1.00 0.00 ATOM 1100 CG1 VAL A 143 25.520 38.645 18.553 1.00 0.00 ATOM 1101 CG2 VAL A 143 24.774 40.864 17.769 1.00 0.00 ATOM 1102 O VAL A 143 25.262 38.578 21.697 1.00 0.00 ATOM 1103 C VAL A 143 25.826 39.567 21.228 1.00 0.00 ATOM 1104 N SER A 144 27.081 39.891 21.534 1.00 0.00 ATOM 1105 CA SER A 144 27.857 39.088 22.480 1.00 0.00 ATOM 1106 CB SER A 144 29.270 39.659 22.634 1.00 0.00 ATOM 1107 OG SER A 144 30.002 39.538 21.426 1.00 0.00 ATOM 1108 O SER A 144 27.157 38.065 24.562 1.00 0.00 ATOM 1109 C SER A 144 27.197 39.093 23.867 1.00 0.00 ATOM 1110 N GLY A 145 26.693 40.257 24.261 1.00 0.00 ATOM 1111 CA GLY A 145 26.047 40.351 25.558 1.00 0.00 ATOM 1112 O GLY A 145 24.613 38.753 26.628 1.00 0.00 ATOM 1113 C GLY A 145 24.824 39.446 25.630 1.00 0.00 ATOM 1114 N ALA A 146 24.043 39.413 24.556 1.00 0.00 ATOM 1115 CA ALA A 146 22.869 38.560 24.540 1.00 0.00 ATOM 1116 CB ALA A 146 22.049 38.811 23.284 1.00 0.00 ATOM 1117 O ALA A 146 22.592 36.283 25.247 1.00 0.00 ATOM 1118 C ALA A 146 23.233 37.084 24.566 1.00 0.00 ATOM 1119 N LEU A 147 24.270 36.714 23.823 1.00 0.00 ATOM 1120 CA LEU A 147 24.707 35.318 23.772 1.00 0.00 ATOM 1121 CB LEU A 147 25.889 35.161 22.814 1.00 0.00 ATOM 1122 CG LEU A 147 25.581 35.328 21.325 1.00 0.00 ATOM 1123 CD1 LEU A 147 26.865 35.339 20.508 1.00 0.00 ATOM 1124 CD2 LEU A 147 24.709 34.187 20.825 1.00 0.00 ATOM 1125 O LEU A 147 24.736 33.774 25.621 1.00 0.00 ATOM 1126 C LEU A 147 25.141 34.844 25.156 1.00 0.00 ATOM 1127 N LEU A 148 25.949 35.658 25.826 1.00 0.00 ATOM 1128 CA LEU A 148 26.433 35.296 27.150 1.00 0.00 ATOM 1129 CB LEU A 148 27.461 36.318 27.642 1.00 0.00 ATOM 1130 CG LEU A 148 28.048 36.071 29.034 1.00 0.00 ATOM 1131 CD1 LEU A 148 28.781 34.739 29.081 1.00 0.00 ATOM 1132 CD2 LEU A 148 29.033 37.171 29.403 1.00 0.00 ATOM 1133 O LEU A 148 25.145 34.350 28.900 1.00 0.00 ATOM 1134 C LEU A 148 25.267 35.262 28.133 1.00 0.00 ATOM 1135 N ILE A 149 24.424 36.294 28.093 1.00 0.00 ATOM 1136 CA ILE A 149 23.271 36.344 29.009 1.00 0.00 ATOM 1137 CB ILE A 149 22.466 37.644 28.832 1.00 0.00 ATOM 1138 CG1 ILE A 149 23.282 38.846 29.313 1.00 0.00 ATOM 1139 CG2 ILE A 149 21.177 37.584 29.638 1.00 0.00 ATOM 1140 CD1 ILE A 149 22.678 40.182 28.941 1.00 0.00 ATOM 1141 O ILE A 149 21.889 34.569 29.877 1.00 0.00 ATOM 1142 C ILE A 149 22.348 35.130 28.881 1.00 0.00 ATOM 1143 N TRP A 150 22.096 34.735 27.660 1.00 0.00 ATOM 1144 CA TRP A 150 21.234 33.593 27.384 1.00 0.00 ATOM 1145 CB TRP A 150 21.003 33.346 25.891 1.00 0.00 ATOM 1146 CG TRP A 150 20.043 32.230 25.610 1.00 0.00 ATOM 1147 CD1 TRP A 150 18.681 32.313 25.561 1.00 0.00 ATOM 1148 CD2 TRP A 150 20.372 30.863 25.341 1.00 0.00 ATOM 1149 CE2 TRP A 150 19.160 30.173 25.136 1.00 0.00 ATOM 1150 CE3 TRP A 150 21.574 30.151 25.251 1.00 0.00 ATOM 1151 NE1 TRP A 150 18.141 31.083 25.277 1.00 0.00 ATOM 1152 CZ2 TRP A 150 19.114 28.811 24.848 1.00 0.00 ATOM 1153 CZ3 TRP A 150 21.523 28.800 24.966 1.00 0.00 ATOM 1154 CH2 TRP A 150 20.305 28.141 24.768 1.00 0.00 ATOM 1155 O TRP A 150 21.026 31.478 28.501 1.00 0.00 ATOM 1156 C TRP A 150 21.785 32.308 27.995 1.00 0.00 ATOM 1157 N GLU A 151 23.093 32.149 27.906 1.00 0.00 ATOM 1158 CA GLU A 151 23.728 30.965 28.481 1.00 0.00 ATOM 1159 CB GLU A 151 25.240 31.004 28.252 1.00 0.00 ATOM 1160 CG GLU A 151 25.655 30.775 26.806 1.00 0.00 ATOM 1161 CD GLU A 151 27.145 30.943 26.595 1.00 0.00 ATOM 1162 OE1 GLU A 151 27.847 31.310 27.562 1.00 0.00 ATOM 1163 OE2 GLU A 151 27.616 30.708 25.461 1.00 0.00 ATOM 1164 O GLU A 151 23.008 30.029 30.591 1.00 0.00 ATOM 1165 C GLU A 151 23.378 31.031 29.972 1.00 0.00 ATOM 1166 N TYR A 152 23.478 32.234 30.542 1.00 0.00 ATOM 1167 CA TYR A 152 23.138 32.436 31.949 1.00 0.00 ATOM 1168 CB TYR A 152 23.378 33.891 32.354 1.00 0.00 ATOM 1169 CG TYR A 152 23.034 34.191 33.795 1.00 0.00 ATOM 1170 CD1 TYR A 152 23.897 33.832 34.821 1.00 0.00 ATOM 1171 CD2 TYR A 152 21.847 34.832 34.125 1.00 0.00 ATOM 1172 CE1 TYR A 152 23.591 34.101 36.142 1.00 0.00 ATOM 1173 CE2 TYR A 152 21.524 35.111 35.438 1.00 0.00 ATOM 1174 CZ TYR A 152 22.409 34.738 36.450 1.00 0.00 ATOM 1175 OH TYR A 152 22.101 35.007 37.764 1.00 0.00 ATOM 1176 O TYR A 152 21.291 31.496 33.194 1.00 0.00 ATOM 1177 C TYR A 152 21.662 32.087 32.171 1.00 0.00 ATOM 1178 N THR A 153 20.822 32.480 31.220 1.00 0.00 ATOM 1179 CA THR A 153 19.388 32.207 31.290 1.00 0.00 ATOM 1180 CB THR A 153 18.615 32.843 30.174 1.00 0.00 ATOM 1181 CG2 THR A 153 17.124 32.550 30.313 1.00 0.00 ATOM 1182 OG1 THR A 153 18.811 34.263 30.235 1.00 0.00 ATOM 1183 O THR A 153 18.307 30.222 32.099 1.00 0.00 ATOM 1184 C THR A 153 19.122 30.708 31.320 1.00 0.00 ATOM 1185 N ARG A 154 19.776 30.003 30.419 1.00 0.00 ATOM 1186 CA ARG A 154 19.586 28.569 30.327 1.00 0.00 ATOM 1187 CB ARG A 154 20.447 28.007 29.239 1.00 0.00 ATOM 1188 CG ARG A 154 20.400 26.540 29.107 1.00 0.00 ATOM 1189 CD ARG A 154 21.212 26.081 27.978 1.00 0.00 ATOM 1190 NE ARG A 154 21.402 24.680 28.084 1.00 0.00 ATOM 1191 CZ ARG A 154 21.796 23.908 27.119 1.00 0.00 ATOM 1192 NH1 ARG A 154 22.108 24.388 25.942 1.00 0.00 ATOM 1193 NH2 ARG A 154 21.968 22.627 27.415 1.00 0.00 ATOM 1194 O ARG A 154 19.197 27.037 32.133 1.00 0.00 ATOM 1195 C ARG A 154 19.939 27.885 31.644 1.00 0.00 ATOM 1196 N GLN A 155 21.062 28.236 32.203 1.00 0.00 ATOM 1197 CA GLN A 155 21.508 27.643 33.456 1.00 0.00 ATOM 1198 CB GLN A 155 22.850 28.155 33.958 1.00 0.00 ATOM 1199 CG GLN A 155 23.330 27.450 35.218 1.00 0.00 ATOM 1200 CD GLN A 155 23.526 25.957 35.091 1.00 0.00 ATOM 1201 OE1 GLN A 155 24.064 25.399 34.122 1.00 0.00 ATOM 1202 NE2 GLN A 155 23.112 25.214 36.131 1.00 0.00 ATOM 1203 O GLN A 155 20.146 27.027 35.329 1.00 0.00 ATOM 1204 C GLN A 155 20.529 27.935 34.592 1.00 0.00 ATOM 1205 N GLN A 156 20.120 29.196 34.761 1.00 0.00 ATOM 1206 CA GLN A 156 19.173 29.564 35.809 1.00 0.00 ATOM 1207 CB GLN A 156 18.974 31.080 35.858 1.00 0.00 ATOM 1208 CG GLN A 156 18.108 31.557 37.012 1.00 0.00 ATOM 1209 CD GLN A 156 18.715 31.240 38.365 1.00 0.00 ATOM 1210 OE1 GLN A 156 19.907 31.454 38.587 1.00 0.00 ATOM 1211 NE2 GLN A 156 17.895 30.726 39.275 1.00 0.00 ATOM 1212 O GLN A 156 17.134 28.534 36.568 1.00 0.00 ATOM 1213 C GLN A 156 17.805 28.926 35.604 1.00 0.00 ATOM 1214 N LEU A 157 17.383 28.832 34.351 1.00 0.00 ATOM 1215 CA LEU A 157 16.104 28.219 34.038 1.00 0.00 ATOM 1216 CB LEU A 157 15.847 28.256 32.530 1.00 0.00 ATOM 1217 CG LEU A 157 14.522 27.656 32.054 1.00 0.00 ATOM 1218 CD1 LEU A 157 13.344 28.409 32.653 1.00 0.00 ATOM 1219 CD2 LEU A 157 14.413 27.731 30.538 1.00 0.00 ATOM 1220 O LEU A 157 15.121 26.287 35.053 1.00 0.00 ATOM 1221 C LEU A 157 16.109 26.771 34.502 1.00 0.00 ATOM 1222 N LEU A 158 17.210 26.113 34.267 1.00 0.00 ATOM 1223 CA LEU A 158 17.351 24.702 34.607 1.00 0.00 ATOM 1224 CB LEU A 158 18.652 24.093 34.025 1.00 0.00 ATOM 1225 CG LEU A 158 18.761 24.026 32.484 1.00 0.00 ATOM 1226 CD1 LEU A 158 20.170 23.552 32.104 1.00 0.00 ATOM 1227 CD2 LEU A 158 17.707 23.077 31.929 1.00 0.00 ATOM 1228 O LEU A 158 16.785 23.394 36.553 1.00 0.00 ATOM 1229 C LEU A 158 17.268 24.473 36.095 1.00 0.00 ATOM 1230 N SER A 159 17.762 25.443 36.861 1.00 0.00 ATOM 1231 CA SER A 159 17.782 25.297 38.310 1.00 0.00 ATOM 1232 CB SER A 159 18.756 24.174 38.694 1.00 0.00 ATOM 1233 OG SER A 159 20.076 24.602 38.445 1.00 0.00 ATOM 1234 O SER A 159 18.259 26.602 40.183 1.00 0.00 ATOM 1235 C SER A 159 18.220 26.592 38.962 1.00 0.00 ENDMDL EXPDTA 2ha8A MODEL 2 REMARK 44 REMARK 44 model 2 is called 2ha8A ATOM 1 N LEU 1 6.514 27.336 40.699 1.00 0.00 ATOM 2 CA LEU 1 5.913 28.349 41.611 1.00 0.00 ATOM 3 CB LEU 1 4.839 27.718 42.501 1.00 0.00 ATOM 4 CG LEU 1 3.351 27.860 42.135 1.00 0.00 ATOM 5 CD1 LEU 1 3.099 28.332 40.698 1.00 0.00 ATOM 6 CD2 LEU 1 2.630 26.539 42.416 1.00 0.00 ATOM 7 O LEU 1 7.739 28.377 43.180 1.00 0.00 ATOM 8 C LEU 1 6.976 29.032 42.456 1.00 0.00 ATOM 9 N GLY 2 7.008 30.356 42.356 1.00 0.00 ATOM 10 CA GLY 2 8.009 31.167 43.033 1.00 0.00 ATOM 11 O GLY 2 9.676 30.876 41.339 1.00 0.00 ATOM 12 C GLY 2 9.065 31.666 42.064 1.00 0.00 ATOM 13 N LYS 3 9.271 32.976 42.054 1.00 0.00 ATOM 14 CA LYS 3 10.291 33.587 41.221 1.00 0.00 ATOM 15 CB LYS 3 9.735 34.841 40.556 1.00 0.00 ATOM 16 CG LYS 3 10.737 35.568 39.649 1.00 0.00 ATOM 17 CD LYS 3 10.030 36.519 38.689 1.00 0.00 ATOM 18 CE LYS 3 9.637 37.825 39.356 1.00 0.00 ATOM 19 NZ LYS 3 8.739 38.647 38.491 1.00 0.00 ATOM 20 O LYS 3 11.392 34.718 43.018 1.00 0.00 ATOM 21 C LYS 3 11.508 33.945 42.071 1.00 0.00 ATOM 22 N SER 4 12.665 33.401 41.706 1.00 0.00 ATOM 23 CA SER 4 13.906 33.687 42.421 1.00 0.00 ATOM 24 CB SER 4 14.979 32.663 42.070 1.00 0.00 ATOM 25 OG SER 4 14.569 31.372 42.489 1.00 0.00 ATOM 26 O SER 4 14.283 35.619 41.026 1.00 0.00 ATOM 27 C SER 4 14.421 35.091 42.138 1.00 0.00 ATOM 28 N ILE 5 15.020 35.698 43.153 1.00 0.00 ATOM 29 CA ILE 5 15.702 36.969 42.984 1.00 0.00 ATOM 30 CB ILE 5 16.284 37.451 44.340 1.00 0.00 ATOM 31 CG1 ILE 5 16.729 38.920 44.263 1.00 0.00 ATOM 32 CG2 ILE 5 17.380 36.494 44.852 1.00 0.00 ATOM 33 CD1 ILE 5 17.183 39.523 45.594 1.00 0.00 ATOM 34 O ILE 5 17.474 35.738 41.903 1.00 0.00 ATOM 35 C ILE 5 16.813 36.777 41.929 1.00 0.00 ATOM 36 N SER 6 17.009 37.800 41.107 1.00 0.00 ATOM 37 CA SER 6 18.072 37.814 40.115 1.00 0.00 ATOM 38 CB SER 6 17.725 38.847 39.038 1.00 0.00 ATOM 39 OG SER 6 16.386 38.680 38.577 1.00 0.00 ATOM 40 O SER 6 19.467 39.129 41.548 1.00 0.00 ATOM 41 C SER 6 19.403 38.169 40.776 1.00 0.00 ATOM 42 N ARG 7 20.451 37.391 40.509 1.00 0.00 ATOM 43 CA ARG 7 21.769 37.749 40.991 1.00 0.00 ATOM 44 CB ARG 7 22.508 36.515 41.541 1.00 0.00 ATOM 45 CG ARG 7 21.853 35.837 42.806 1.00 0.00 ATOM 46 CD ARG 7 21.752 36.794 43.948 1.00 0.00 ATOM 47 NE ARG 7 21.057 36.229 45.118 1.00 0.00 ATOM 48 CZ ARG 7 20.766 36.932 46.211 1.00 0.00 ATOM 49 NH1 ARG 7 21.064 38.223 46.281 1.00 0.00 ATOM 50 NH2 ARG 7 20.136 36.339 47.223 1.00 0.00 ATOM 51 O ARG 7 23.359 39.365 40.106 1.00 0.00 ATOM 52 C ARG 7 22.519 38.498 39.840 1.00 0.00 ATOM 53 N LEU 8 22.179 38.202 38.580 1.00 0.00 ATOM 54 CA LEU 8 23.019 38.640 37.428 1.00 0.00 ATOM 55 CB LEU 8 22.451 38.096 36.111 1.00 0.00 ATOM 56 CG LEU 8 23.254 38.418 34.844 1.00 0.00 ATOM 57 CD1 LEU 8 24.585 37.688 34.871 1.00 0.00 ATOM 58 CD2 LEU 8 22.468 38.065 33.579 1.00 0.00 ATOM 59 O LEU 8 22.221 40.903 37.278 1.00 0.00 ATOM 60 C LEU 8 23.192 40.161 37.322 1.00 0.00 ATOM 61 N ILE 9 24.443 40.620 37.238 1.00 0.00 ATOM 62 CA ILE 9 24.697 42.045 37.039 1.00 0.00 ATOM 63 CB ILE 9 25.600 42.656 38.151 1.00 0.00 ATOM 64 CG1 ILE 9 24.895 42.597 39.529 1.00 0.00 ATOM 65 CG2 ILE 9 26.015 44.079 37.800 1.00 0.00 ATOM 66 CD1 ILE 9 25.779 43.114 40.670 1.00 0.00 ATOM 67 O ILE 9 26.325 41.471 35.422 1.00 0.00 ATOM 68 C ILE 9 25.384 42.198 35.699 1.00 0.00 ATOM 69 N VAL 10 24.902 43.135 34.894 1.00 0.00 ATOM 70 CA VAL 10 25.536 43.431 33.615 1.00 0.00 ATOM 71 CB VAL 10 24.538 43.268 32.447 1.00 0.00 ATOM 72 CG1 VAL 10 25.232 43.607 31.116 1.00 0.00 ATOM 73 CG2 VAL 10 23.990 41.864 32.437 1.00 0.00 ATOM 74 O VAL 10 25.364 45.817 33.860 1.00 0.00 ATOM 75 C VAL 10 26.100 44.844 33.646 1.00 0.00 ATOM 76 N VAL 11 27.404 44.949 33.399 1.00 0.00 ATOM 77 CA VAL 11 28.069 46.235 33.423 1.00 0.00 ATOM 78 CB VAL 11 29.331 46.231 34.329 1.00 0.00 ATOM 79 CG1 VAL 11 30.019 47.574 34.269 1.00 0.00 ATOM 80 CG2 VAL 11 28.981 45.871 35.786 1.00 0.00 ATOM 81 O VAL 11 29.281 46.157 31.338 1.00 0.00 ATOM 82 C VAL 11 28.402 46.716 32.017 1.00 0.00 ATOM 83 N ALA 12 27.723 47.797 31.615 1.00 0.00 ATOM 84 CA ALA 12 27.884 48.383 30.296 1.00 0.00 ATOM 85 CB ALA 12 26.503 48.489 29.612 1.00 0.00 ATOM 86 O ALA 12 28.526 50.516 29.341 1.00 0.00 ATOM 87 C ALA 12 28.577 49.773 30.324 1.00 0.00 ATOM 88 N SER 13 29.237 50.116 31.435 1.00 0.00 ATOM 89 CA SER 13 29.871 51.446 31.573 1.00 0.00 ATOM 90 CB SER 13 30.534 51.579 32.940 1.00 0.00 ATOM 91 OG SER 13 29.565 51.434 33.959 1.00 0.00 ATOM 92 O SER 13 31.149 52.975 30.230 1.00 0.00 ATOM 93 C SER 13 30.890 51.785 30.497 1.00 0.00 ATOM 94 N LEU 14 31.495 50.757 29.902 1.00 0.00 ATOM 95 CA LEU 14 32.535 50.981 28.890 1.00 0.00 ATOM 96 CB LEU 14 33.558 49.837 28.878 1.00 0.00 ATOM 97 CG LEU 14 34.345 49.576 30.160 1.00 0.00 ATOM 98 CD1 LEU 14 35.167 48.310 30.029 1.00 0.00 ATOM 99 CD2 LEU 14 35.255 50.759 30.516 1.00 0.00 ATOM 100 O LEU 14 32.696 51.574 26.581 1.00 0.00 ATOM 101 C LEU 14 31.969 51.176 27.485 1.00 0.00 ATOM 102 N ILE 15 30.699 50.823 27.301 1.00 0.00 ATOM 103 CA ILE 15 30.032 50.888 25.998 1.00 0.00 ATOM 104 CB ILE 15 28.827 49.931 25.983 1.00 0.00 ATOM 105 CG1 ILE 15 29.327 48.478 26.115 1.00 0.00 ATOM 106 CG2 ILE 15 27.976 50.144 24.715 1.00 0.00 ATOM 107 CD1 ILE 15 28.186 47.451 26.300 1.00 0.00 ATOM 108 O ILE 15 28.996 52.982 26.548 1.00 0.00 ATOM 109 C ILE 15 29.589 52.337 25.694 1.00 0.00 ATOM 110 N ASP 16 29.868 52.808 24.478 1.00 0.00 ATOM 111 CA ASP 16 29.647 54.224 24.086 1.00 0.00 ATOM 112 CB ASP 16 30.779 54.705 23.167 1.00 0.00 ATOM 113 CG ASP 16 32.091 54.949 23.892 1.00 0.00 ATOM 114 OD1 ASP 16 32.087 55.201 25.123 1.00 0.00 ATOM 115 OD2 ASP 16 33.133 54.911 23.196 1.00 0.00 ATOM 116 O ASP 16 27.713 55.500 23.474 1.00 0.00 ATOM 117 C ASP 16 28.349 54.458 23.309 1.00 0.00 ATOM 118 N LYS 17 27.985 53.525 22.428 1.00 0.00 ATOM 119 CA LYS 17 26.899 53.777 21.463 1.00 0.00 ATOM 120 CB LYS 17 27.012 52.873 20.230 1.00 0.00 ATOM 121 CG LYS 17 28.260 53.041 19.370 1.00 0.00 ATOM 122 CD LYS 17 28.153 52.150 18.131 1.00 0.00 ATOM 123 CE LYS 17 29.444 52.111 17.304 1.00 0.00 ATOM 124 NZ LYS 17 30.005 53.482 17.040 1.00 0.00 ATOM 125 O LYS 17 25.233 52.532 22.679 1.00 0.00 ATOM 126 C LYS 17 25.517 53.592 22.100 1.00 0.00 ATOM 127 N PRO 18 24.628 54.599 21.970 1.00 0.00 ATOM 128 CA PRO 18 23.273 54.462 22.531 1.00 0.00 ATOM 129 CB PRO 18 22.611 55.817 22.232 1.00 0.00 ATOM 130 CG PRO 18 23.405 56.394 21.145 1.00 0.00 ATOM 131 CD PRO 18 24.824 55.916 21.336 1.00 0.00 ATOM 132 O PRO 18 21.602 52.762 22.586 1.00 0.00 ATOM 133 C PRO 18 22.469 53.317 21.918 1.00 0.00 ATOM 134 N THR 19 22.742 52.976 20.664 1.00 0.00 ATOM 135 CA THR 19 22.064 51.830 20.046 1.00 0.00 ATOM 136 CB THR 19 22.324 51.727 18.540 1.00 0.00 ATOM 137 CG2 THR 19 21.609 52.876 17.795 1.00 0.00 ATOM 138 OG1 THR 19 23.736 51.774 18.287 1.00 0.00 ATOM 139 O THR 19 21.624 49.656 20.987 1.00 0.00 ATOM 140 C THR 19 22.464 50.516 20.744 1.00 0.00 ATOM 141 N ASN 20 23.739 50.363 21.078 1.00 0.00 ATOM 142 CA ASN 20 24.151 49.175 21.842 1.00 0.00 ATOM 143 CB ASN 20 25.681 49.082 21.873 1.00 0.00 ATOM 144 CG ASN 20 26.283 48.685 20.512 1.00 0.00 ATOM 145 ND2 ASN 20 27.495 49.162 20.240 1.00 0.00 ATOM 146 OD1 ASN 20 25.677 47.949 19.733 1.00 0.00 ATOM 147 O ASN 20 23.133 48.144 23.801 1.00 0.00 ATOM 148 C ASN 20 23.583 49.180 23.274 1.00 0.00 ATOM 149 N LEU 21 23.616 50.337 23.925 1.00 0.00 ATOM 150 CA LEU 21 23.059 50.430 25.265 1.00 0.00 ATOM 151 CB LEU 21 23.360 51.791 25.897 1.00 0.00 ATOM 152 CG LEU 21 24.854 52.043 26.102 1.00 0.00 ATOM 153 CD1 LEU 21 25.124 53.529 26.387 1.00 0.00 ATOM 154 CD2 LEU 21 25.382 51.168 27.244 1.00 0.00 ATOM 155 O LEU 21 21.066 49.428 26.156 1.00 0.00 ATOM 156 C LEU 21 21.554 50.160 25.285 1.00 0.00 ATOM 157 N GLY 22 20.815 50.738 24.333 1.00 0.00 ATOM 158 CA GLY 22 19.360 50.530 24.281 1.00 0.00 ATOM 159 O GLY 22 18.126 48.526 24.689 1.00 0.00 ATOM 160 C GLY 22 18.996 49.073 24.023 1.00 0.00 ATOM 161 N GLY 23 19.686 48.459 23.066 1.00 0.00 ATOM 162 CA GLY 23 19.487 47.043 22.723 1.00 0.00 ATOM 163 O GLY 23 18.959 45.302 24.310 1.00 0.00 ATOM 164 C GLY 23 19.759 46.179 23.938 1.00 0.00 ATOM 165 N LEU 24 20.878 46.451 24.593 1.00 0.00 ATOM 166 CA LEU 24 21.257 45.673 25.764 1.00 0.00 ATOM 167 CB LEU 24 22.645 46.104 26.211 1.00 0.00 ATOM 168 CG LEU 24 23.323 45.283 27.285 1.00 0.00 ATOM 169 CD1 LEU 24 23.564 43.832 26.838 1.00 0.00 ATOM 170 CD2 LEU 24 24.627 45.997 27.587 1.00 0.00 ATOM 171 O LEU 24 19.922 44.885 27.613 1.00 0.00 ATOM 172 C LEU 24 20.233 45.839 26.889 1.00 0.00 ATOM 173 N CYS 25 19.716 47.057 27.045 1.00 0.00 ATOM 174 CA CYS 25 18.679 47.319 28.040 1.00 0.00 ATOM 175 CB CYS 25 18.271 48.790 27.984 1.00 0.00 ATOM 176 SG CYS 25 17.094 49.267 29.266 1.00 0.00 ATOM 177 O CYS 25 16.985 45.775 28.783 1.00 0.00 ATOM 178 C CYS 25 17.463 46.391 27.830 1.00 0.00 ATOM 179 N ARG 26 16.981 46.290 26.589 1.00 0.00 ATOM 180 CA ARG 26 15.839 45.412 26.278 1.00 0.00 ATOM 181 CB ARG 26 15.475 45.500 24.796 1.00 0.00 ATOM 182 CG ARG 26 14.263 44.637 24.389 1.00 0.00 ATOM 183 CD ARG 26 14.127 44.688 22.868 1.00 0.00 ATOM 184 NE ARG 26 12.875 44.090 22.434 1.00 0.00 ATOM 185 CZ ARG 26 12.313 44.301 21.245 1.00 0.00 ATOM 186 NH1 ARG 26 12.871 45.111 20.353 1.00 0.00 ATOM 187 NH2 ARG 26 11.170 43.708 20.953 1.00 0.00 ATOM 188 O ARG 26 15.397 43.289 27.305 1.00 0.00 ATOM 189 C ARG 26 16.174 43.973 26.642 1.00 0.00 ATOM 190 N THR 27 17.343 43.515 26.204 1.00 0.00 ATOM 191 CA THR 27 17.746 42.131 26.451 1.00 0.00 ATOM 192 CB THR 27 19.068 41.818 25.730 1.00 0.00 ATOM 193 CG2 THR 27 19.515 40.362 26.021 1.00 0.00 ATOM 194 OG1 THR 27 18.859 41.997 24.321 1.00 0.00 ATOM 195 O THR 27 17.377 40.774 28.415 1.00 0.00 ATOM 196 C THR 27 17.853 41.820 27.947 1.00 0.00 ATOM 197 N CYS 28 18.460 42.741 28.690 1.00 0.00 ATOM 198 CA CYS 28 18.614 42.579 30.134 1.00 0.00 ATOM 199 CB CYS 28 19.417 43.717 30.729 1.00 0.00 ATOM 200 SG CYS 28 21.145 43.555 30.356 1.00 0.00 ATOM 201 O CYS 28 17.070 41.681 31.709 1.00 0.00 ATOM 202 C CYS 28 17.260 42.504 30.818 1.00 0.00 ATOM 203 N GLU 29 16.318 43.352 30.402 1.00 0.00 ATOM 204 CA GLU 29 14.966 43.306 30.986 1.00 0.00 ATOM 205 CB GLU 29 14.113 44.467 30.491 1.00 0.00 ATOM 206 CG GLU 29 12.878 44.765 31.399 1.00 0.00 ATOM 207 CD GLU 29 11.695 43.818 31.202 1.00 0.00 ATOM 208 OE1 GLU 29 11.597 43.150 30.142 1.00 0.00 ATOM 209 OE2 GLU 29 10.846 43.720 32.124 1.00 0.00 ATOM 210 O GLU 29 13.691 41.354 31.599 1.00 0.00 ATOM 211 C GLU 29 14.258 41.990 30.697 1.00 0.00 ATOM 212 N VAL 30 14.318 41.566 29.437 1.00 0.00 ATOM 213 CA VAL 30 13.697 40.308 29.033 1.00 0.00 ATOM 214 CB VAL 30 13.884 40.057 27.517 1.00 0.00 ATOM 215 CG1 VAL 30 13.529 38.603 27.168 1.00 0.00 ATOM 216 CG2 VAL 30 13.046 41.031 26.716 1.00 0.00 ATOM 217 O VAL 30 13.391 38.254 30.248 1.00 0.00 ATOM 218 C VAL 30 14.192 39.110 29.839 1.00 0.00 ATOM 219 N PHE 31 15.495 39.067 30.115 1.00 0.00 ATOM 220 CA PHE 31 16.072 37.949 30.846 1.00 0.00 ATOM 221 CB PHE 31 17.452 37.613 30.270 1.00 0.00 ATOM 222 CG PHE 31 17.383 36.883 28.970 1.00 0.00 ATOM 223 CD1 PHE 31 16.762 35.628 28.892 1.00 0.00 ATOM 224 CD2 PHE 31 17.911 37.440 27.821 1.00 0.00 ATOM 225 CE1 PHE 31 16.686 34.937 27.670 1.00 0.00 ATOM 226 CE2 PHE 31 17.840 36.751 26.599 1.00 0.00 ATOM 227 CZ PHE 31 17.227 35.504 26.530 1.00 0.00 ATOM 228 O PHE 31 16.746 37.339 33.067 1.00 0.00 ATOM 229 C PHE 31 16.156 38.156 32.350 1.00 0.00 ATOM 230 N GLY 32 15.583 39.250 32.831 1.00 0.00 ATOM 231 CA GLY 32 15.477 39.465 34.278 1.00 0.00 ATOM 232 O GLY 32 16.947 39.299 36.171 1.00 0.00 ATOM 233 C GLY 32 16.785 39.712 35.013 1.00 0.00 ATOM 234 N ALA 33 17.735 40.372 34.360 1.00 0.00 ATOM 235 CA ALA 33 18.943 40.818 35.062 1.00 0.00 ATOM 236 CB ALA 33 19.850 41.579 34.116 1.00 0.00 ATOM 237 O ALA 33 17.600 42.439 36.264 1.00 0.00 ATOM 238 C ALA 33 18.591 41.682 36.278 1.00 0.00 ATOM 239 N SER 34 19.397 41.582 37.329 1.00 0.00 ATOM 240 CA SER 34 19.128 42.369 38.517 1.00 0.00 ATOM 241 CB SER 34 19.954 41.891 39.703 1.00 0.00 ATOM 242 OG SER 34 21.319 42.154 39.486 1.00 0.00 ATOM 243 O SER 34 18.631 44.698 38.831 1.00 0.00 ATOM 244 C SER 34 19.350 43.862 38.274 1.00 0.00 ATOM 245 N VAL 35 20.348 44.201 37.458 1.00 0.00 ATOM 246 CA VAL 35 20.640 45.617 37.212 1.00 0.00 ATOM 247 CB VAL 35 21.381 46.254 38.420 1.00 0.00 ATOM 248 CG1 VAL 35 22.740 45.579 38.648 1.00 0.00 ATOM 249 CG2 VAL 35 21.556 47.768 38.239 1.00 0.00 ATOM 250 O VAL 35 22.296 44.847 35.679 1.00 0.00 ATOM 251 C VAL 35 21.495 45.741 35.953 1.00 0.00 ATOM 252 N LEU 36 21.309 46.829 35.206 1.00 0.00 ATOM 253 CA LEU 36 22.236 47.185 34.135 1.00 0.00 ATOM 254 CB LEU 36 21.502 47.454 32.812 1.00 0.00 ATOM 255 CG LEU 36 22.341 47.923 31.608 1.00 0.00 ATOM 256 CD1 LEU 36 23.375 46.899 31.195 1.00 0.00 ATOM 257 CD2 LEU 36 21.428 48.245 30.411 1.00 0.00 ATOM 258 O LEU 36 22.399 49.455 34.920 1.00 0.00 ATOM 259 C LEU 36 22.993 48.422 34.584 1.00 0.00 ATOM 260 N VAL 37 24.307 48.303 34.637 1.00 0.00 ATOM 261 CA VAL 37 25.150 49.435 35.007 1.00 0.00 ATOM 262 CB VAL 37 26.367 48.921 35.812 1.00 0.00 ATOM 263 CG1 VAL 37 27.295 50.069 36.174 1.00 0.00 ATOM 264 CG2 VAL 37 25.888 48.186 37.040 1.00 0.00 ATOM 265 O VAL 37 26.123 49.548 32.832 1.00 0.00 ATOM 266 C VAL 37 25.609 50.172 33.762 1.00 0.00 ATOM 267 N VAL 38 25.437 51.500 33.747 1.00 0.00 ATOM 268 CA VAL 38 25.803 52.312 32.582 1.00 0.00 ATOM 269 CB VAL 38 24.565 52.914 31.860 1.00 0.00 ATOM 270 CG1 VAL 38 23.651 51.808 31.331 1.00 0.00 ATOM 271 CG2 VAL 38 23.794 53.858 32.785 1.00 0.00 ATOM 272 O VAL 38 26.840 53.792 34.175 1.00 0.00 ATOM 273 C VAL 38 26.767 53.431 32.989 1.00 0.00 ATOM 274 N GLY 39 27.484 53.967 32.005 1.00 0.00 ATOM 275 CA GLY 39 28.517 54.974 32.288 1.00 0.00 ATOM 276 O GLY 39 28.541 57.170 33.238 1.00 0.00 ATOM 277 C GLY 39 27.922 56.330 32.569 1.00 0.00 ATOM 278 N SER 40 26.719 56.552 32.046 1.00 0.00 ATOM 279 CA SER 40 25.991 57.803 32.272 1.00 0.00 ATOM 280 CB SER 40 26.458 58.896 31.320 1.00 0.00 ATOM 281 OG SER 40 25.661 60.068 31.510 1.00 0.00 ATOM 282 O SER 40 24.181 56.966 31.008 1.00 0.00 ATOM 283 C SER 40 24.528 57.536 32.030 1.00 0.00 ATOM 284 N LEU 41 23.674 57.941 32.959 1.00 0.00 ATOM 285 CA LEU 41 22.232 57.821 32.752 1.00 0.00 ATOM 286 CB LEU 41 21.449 57.961 34.058 1.00 0.00 ATOM 287 CG LEU 41 21.554 56.735 34.970 1.00 0.00 ATOM 288 CD1 LEU 41 21.012 57.026 36.358 1.00 0.00 ATOM 289 CD2 LEU 41 20.810 55.561 34.320 1.00 0.00 ATOM 290 O LEU 41 20.581 58.715 31.281 1.00 0.00 ATOM 291 C LEU 41 21.732 58.795 31.688 1.00 0.00 ATOM 292 N GLN 42 22.616 59.671 31.197 1.00 0.00 ATOM 293 CA GLN 42 22.290 60.474 30.012 1.00 0.00 ATOM 294 CB GLN 42 23.481 61.319 29.550 1.00 0.00 ATOM 295 CG GLN 42 23.810 62.429 30.492 1.00 0.00 ATOM 296 CD GLN 42 25.022 63.220 30.073 1.00 0.00 ATOM 297 OE1 GLN 42 25.382 63.264 28.889 1.00 0.00 ATOM 298 NE2 GLN 42 25.661 63.867 31.041 1.00 0.00 ATOM 299 O GLN 42 21.016 60.005 28.044 1.00 0.00 ATOM 300 C GLN 42 21.838 59.587 28.854 1.00 0.00 ATOM 301 N CYS 43 22.369 58.360 28.776 1.00 0.00 ATOM 302 CA CYS 43 22.049 57.460 27.658 1.00 0.00 ATOM 303 CB CYS 43 22.802 56.123 27.762 1.00 0.00 ATOM 304 SG CYS 43 22.277 55.030 29.119 1.00 0.00 ATOM 305 O CYS 43 20.079 57.124 26.339 1.00 0.00 ATOM 306 C CYS 43 20.545 57.219 27.479 1.00 0.00 ATOM 307 N ILE 44 19.790 57.127 28.577 1.00 0.00 ATOM 308 CA ILE 44 18.362 56.828 28.457 1.00 0.00 ATOM 309 CB ILE 44 17.731 56.233 29.748 1.00 0.00 ATOM 310 CG1 ILE 44 17.461 57.313 30.788 1.00 0.00 ATOM 311 CG2 ILE 44 18.627 55.125 30.335 1.00 0.00 ATOM 312 CD1 ILE 44 16.765 56.792 32.060 1.00 0.00 ATOM 313 O ILE 44 16.416 57.871 27.529 1.00 0.00 ATOM 314 C ILE 44 17.558 58.028 27.920 1.00 0.00 ATOM 315 N SER 45 18.166 59.216 27.905 1.00 0.00 ATOM 316 CA SER 45 17.512 60.409 27.336 1.00 0.00 ATOM 317 CB SER 45 18.137 61.675 27.927 1.00 0.00 ATOM 318 OG SER 45 19.403 61.968 27.322 1.00 0.00 ATOM 319 O SER 45 17.012 61.402 25.195 1.00 0.00 ATOM 320 C SER 45 17.608 60.503 25.811 1.00 0.00 ATOM 321 N ASP 46 18.379 59.599 25.217 1.00 0.00 ATOM 322 CA ASP 46 18.723 59.622 23.799 1.00 0.00 ATOM 323 CB ASP 46 20.119 58.988 23.647 1.00 0.00 ATOM 324 CG ASP 46 20.646 59.028 22.237 1.00 0.00 ATOM 325 OD1 ASP 46 21.622 59.764 21.977 1.00 0.00 ATOM 326 OD2 ASP 46 20.114 58.291 21.385 1.00 0.00 ATOM 327 O ASP 46 17.307 57.754 23.359 1.00 0.00 ATOM 328 C ASP 46 17.665 58.863 22.998 1.00 0.00 ATOM 329 N LYS 47 17.170 59.464 21.910 1.00 0.00 ATOM 330 CA LYS 47 16.135 58.842 21.099 1.00 0.00 ATOM 331 CB LYS 47 15.670 59.789 19.978 1.00 0.00 ATOM 332 CG LYS 47 14.828 60.963 20.503 1.00 0.00 ATOM 333 CD LYS 47 14.899 62.186 19.579 1.00 0.00 ATOM 334 CE LYS 47 13.903 63.284 19.976 1.00 0.00 ATOM 335 NZ LYS 47 14.077 63.765 21.377 1.00 0.00 ATOM 336 O LYS 47 15.714 56.597 20.416 1.00 0.00 ATOM 337 C LYS 47 16.557 57.493 20.528 1.00 0.00 ATOM 338 N GLN 48 17.842 57.349 20.194 1.00 0.00 ATOM 339 CA GLN 48 18.367 56.091 19.620 1.00 0.00 ATOM 340 CB GLN 48 19.823 56.212 19.152 1.00 0.00 ATOM 341 CG GLN 48 20.131 57.145 17.984 1.00 0.00 ATOM 342 CD GLN 48 21.588 57.646 18.024 1.00 0.00 ATOM 343 OE1 GLN 48 21.858 58.785 18.448 1.00 0.00 ATOM 344 NE2 GLN 48 22.530 56.794 17.614 1.00 0.00 ATOM 345 O GLN 48 18.017 53.817 20.330 1.00 0.00 ATOM 346 C GLN 48 18.315 54.980 20.663 1.00 0.00 ATOM 347 N PHE 49 18.637 55.330 21.911 1.00 0.00 ATOM 348 CA PHE 49 18.527 54.396 23.033 1.00 0.00 ATOM 349 CB PHE 49 19.023 55.051 24.333 1.00 0.00 ATOM 350 CG PHE 49 18.878 54.183 25.560 1.00 0.00 ATOM 351 CD1 PHE 49 19.988 53.510 26.082 1.00 0.00 ATOM 352 CD2 PHE 49 17.638 54.024 26.182 1.00 0.00 ATOM 353 CE1 PHE 49 19.869 52.716 27.215 1.00 0.00 ATOM 354 CE2 PHE 49 17.503 53.215 27.326 1.00 0.00 ATOM 355 CZ PHE 49 18.622 52.566 27.845 1.00 0.00 ATOM 356 O PHE 49 16.768 52.761 23.208 1.00 0.00 ATOM 357 C PHE 49 17.072 53.955 23.170 1.00 0.00 ATOM 358 N GLN 50 16.176 54.936 23.228 1.00 0.00 ATOM 359 CA GLN 50 14.760 54.670 23.467 1.00 0.00 ATOM 360 CB GLN 50 14.006 55.983 23.672 1.00 0.00 ATOM 361 CG GLN 50 14.411 56.660 24.952 1.00 0.00 ATOM 362 CD GLN 50 13.414 57.708 25.411 1.00 0.00 ATOM 363 OE1 GLN 50 12.543 58.141 24.646 1.00 0.00 ATOM 364 NE2 GLN 50 13.536 58.120 26.666 1.00 0.00 ATOM 365 O GLN 50 13.232 53.018 22.679 1.00 0.00 ATOM 366 C GLN 50 14.100 53.829 22.378 1.00 0.00 ATOM 367 N HIS 51 14.520 54.029 21.133 1.00 0.00 ATOM 368 CA HIS 51 13.975 53.290 19.995 1.00 0.00 ATOM 369 CB HIS 51 14.542 53.831 18.678 1.00 0.00 ATOM 370 CG HIS 51 14.008 53.133 17.464 1.00 0.00 ATOM 371 CD2 HIS 51 14.619 52.346 16.546 1.00 0.00 ATOM 372 ND1 HIS 51 12.681 53.194 17.095 1.00 0.00 ATOM 373 CE1 HIS 51 12.497 52.476 15.998 1.00 0.00 ATOM 374 NE2 HIS 51 13.657 51.951 15.645 1.00 0.00 ATOM 375 O HIS 51 13.448 50.957 19.709 1.00 0.00 ATOM 376 C HIS 51 14.266 51.798 20.120 1.00 0.00 ATOM 377 N LEU 52 15.429 51.477 20.686 1.00 0.00 ATOM 378 CA LEU 52 15.869 50.084 20.793 1.00 0.00 ATOM 379 CB LEU 52 17.387 49.968 20.573 1.00 0.00 ATOM 380 CG LEU 52 17.859 49.827 19.115 1.00 0.00 ATOM 381 CD1 LEU 52 17.747 51.090 18.316 1.00 0.00 ATOM 382 CD2 LEU 52 19.272 49.303 19.052 1.00 0.00 ATOM 383 O LEU 52 15.219 48.247 22.209 1.00 0.00 ATOM 384 C LEU 52 15.458 49.457 22.131 1.00 0.00 ATOM 385 N SER 53 15.381 50.276 23.179 1.00 0.00 ATOM 386 CA SER 53 15.039 49.758 24.505 1.00 0.00 ATOM 387 CB SER 53 15.490 50.722 25.599 1.00 0.00 ATOM 388 OG SER 53 14.683 51.882 25.600 1.00 0.00 ATOM 389 O SER 53 13.198 48.736 25.611 1.00 0.00 ATOM 390 C SER 53 13.558 49.450 24.683 1.00 0.00 ATOM 391 N VAL 54 12.712 50.030 23.823 1.00 0.00 ATOM 392 CA VAL 54 11.254 49.818 23.862 1.00 0.00 ATOM 393 CB VAL 54 10.808 48.560 23.026 1.00 0.00 ATOM 394 CG1 VAL 54 11.227 48.732 21.585 1.00 0.00 ATOM 395 CG2 VAL 54 11.389 47.255 23.595 1.00 0.00 ATOM 396 O VAL 54 9.892 48.974 25.684 1.00 0.00 ATOM 397 C VAL 54 10.655 49.853 25.278 1.00 0.00 ATOM 398 N SER 55 11.037 50.883 26.026 1.00 0.00 ATOM 399 CA SER 55 10.539 51.137 27.389 1.00 0.00 ATOM 400 CB SER 55 9.005 51.107 27.465 1.00 0.00 ATOM 401 OG SER 55 8.465 52.190 26.734 1.00 0.00 ATOM 402 O SER 55 10.676 50.348 29.629 1.00 0.00 ATOM 403 C SER 55 11.103 50.242 28.479 1.00 0.00 ATOM 404 N ALA 56 12.068 49.383 28.137 1.00 0.00 ATOM 405 CA ALA 56 12.623 48.445 29.116 1.00 0.00 ATOM 406 CB ALA 56 13.637 47.502 28.452 1.00 0.00 ATOM 407 O ALA 56 13.253 48.612 31.431 1.00 0.00 ATOM 408 C ALA 56 13.240 49.162 30.325 1.00 0.00 ATOM 409 N GLU 57 13.724 50.392 30.108 1.00 0.00 ATOM 410 CA GLU 57 14.300 51.224 31.167 1.00 0.00 ATOM 411 CB GLU 57 14.908 52.525 30.599 1.00 0.00 ATOM 412 CG GLU 57 13.938 53.538 30.010 1.00 0.00 ATOM 413 CD GLU 57 13.647 53.312 28.535 1.00 0.00 ATOM 414 OE1 GLU 57 13.780 52.169 28.054 1.00 0.00 ATOM 415 OE2 GLU 57 13.279 54.286 27.842 1.00 0.00 ATOM 416 O GLU 57 13.718 51.887 33.404 1.00 0.00 ATOM 417 C GLU 57 13.311 51.537 32.296 1.00 0.00 ATOM 418 N GLN 58 12.019 51.411 32.011 1.00 0.00 ATOM 419 CA GLN 58 10.994 51.633 33.027 1.00 0.00 ATOM 420 CB GLN 58 9.640 51.912 32.356 1.00 0.00 ATOM 421 CG GLN 58 9.673 53.162 31.471 1.00 0.00 ATOM 422 CD GLN 58 8.400 53.378 30.665 1.00 0.00 ATOM 423 OE1 GLN 58 7.300 53.028 31.101 1.00 0.00 ATOM 424 NE2 GLN 58 8.547 53.960 29.478 1.00 0.00 ATOM 425 O GLN 58 10.276 50.613 35.088 1.00 0.00 ATOM 426 C GLN 58 10.883 50.470 34.013 1.00 0.00 ATOM 427 N TRP 59 11.471 49.326 33.655 1.00 0.00 ATOM 428 CA TRP 59 11.231 48.074 34.367 1.00 0.00 ATOM 429 CB TRP 59 10.407 47.124 33.489 1.00 0.00 ATOM 430 CG TRP 59 9.176 47.799 33.047 1.00 0.00 ATOM 431 CD1 TRP 59 8.853 48.171 31.782 1.00 0.00 ATOM 432 CD2 TRP 59 8.118 48.266 33.894 1.00 0.00 ATOM 433 CE2 TRP 59 7.172 48.902 33.063 1.00 0.00 ATOM 434 CE3 TRP 59 7.887 48.219 35.279 1.00 0.00 ATOM 435 NE1 TRP 59 7.640 48.826 31.777 1.00 0.00 ATOM 436 CZ2 TRP 59 5.995 49.478 33.566 1.00 0.00 ATOM 437 CZ3 TRP 59 6.703 48.789 35.783 1.00 0.00 ATOM 438 CH2 TRP 59 5.778 49.403 34.924 1.00 0.00 ATOM 439 O TRP 59 12.420 46.481 35.685 1.00 0.00 ATOM 440 C TRP 59 12.488 47.381 34.847 1.00 0.00 ATOM 441 N LEU 60 13.615 47.779 34.276 1.00 0.00 ATOM 442 CA LEU 60 14.912 47.230 34.625 1.00 0.00 ATOM 443 CB LEU 60 15.702 46.889 33.350 1.00 0.00 ATOM 444 CG LEU 60 17.189 46.538 33.548 1.00 0.00 ATOM 445 CD1 LEU 60 17.358 45.177 34.193 1.00 0.00 ATOM 446 CD2 LEU 60 17.895 46.600 32.234 1.00 0.00 ATOM 447 O LEU 60 15.783 49.431 34.974 1.00 0.00 ATOM 448 C LEU 60 15.658 48.299 35.426 1.00 0.00 ATOM 449 N PRO 61 16.158 47.944 36.624 1.00 0.00 ATOM 450 CA PRO 61 16.949 48.919 37.366 1.00 0.00 ATOM 451 CB PRO 61 17.273 48.187 38.675 1.00 0.00 ATOM 452 CG PRO 61 16.222 47.151 38.779 1.00 0.00 ATOM 453 CD PRO 61 16.020 46.685 37.372 1.00 0.00 ATOM 454 O PRO 61 18.937 48.370 36.126 1.00 0.00 ATOM 455 C PRO 61 18.229 49.267 36.617 1.00 0.00 ATOM 456 N LEU 62 18.486 50.567 36.499 1.00 0.00 ATOM 457 CA LEU 62 19.705 51.068 35.889 1.00 0.00 ATOM 458 CB LEU 62 19.389 52.014 34.718 1.00 0.00 ATOM 459 CG LEU 62 18.897 51.526 33.331 1.00 0.00 ATOM 460 CD1 LEU 62 19.951 51.754 32.243 1.00 0.00 ATOM 461 CD2 LEU 62 18.484 50.092 33.305 1.00 0.00 ATOM 462 O LEU 62 19.890 52.592 37.744 1.00 0.00 ATOM 463 C LEU 62 20.481 51.825 36.964 1.00 0.00 ATOM 464 N VAL 63 21.789 51.604 37.029 1.00 0.00 ATOM 465 CA VAL 63 22.631 52.427 37.912 1.00 0.00 ATOM 466 CB VAL 63 23.083 51.692 39.228 1.00 0.00 ATOM 467 CG1 VAL 63 21.907 51.001 39.914 1.00 0.00 ATOM 468 CG2 VAL 63 24.224 50.751 39.021 1.00 0.00 ATOM 469 O VAL 63 24.284 52.431 36.179 1.00 0.00 ATOM 470 C VAL 63 23.784 53.038 37.127 1.00 0.00 ATOM 471 N GLU 64 24.172 54.255 37.492 1.00 0.00 ATOM 472 CA GLU 64 25.299 54.909 36.847 1.00 0.00 ATOM 473 CB GLU 64 25.051 56.416 36.753 1.00 0.00 ATOM 474 CG GLU 64 26.169 57.216 36.146 1.00 0.00 ATOM 475 CD GLU 64 25.826 58.698 36.059 1.00 0.00 ATOM 476 OE1 GLU 64 24.933 59.072 35.262 1.00 0.00 ATOM 477 OE2 GLU 64 26.470 59.479 36.795 1.00 0.00 ATOM 478 O GLU 64 26.648 54.925 38.833 1.00 0.00 ATOM 479 C GLU 64 26.573 54.632 37.639 1.00 0.00 ATOM 480 N VAL 65 27.553 54.044 36.963 1.00 0.00 ATOM 481 CA VAL 65 28.927 53.943 37.469 1.00 0.00 ATOM 482 CB VAL 65 29.331 52.495 37.903 1.00 0.00 ATOM 483 CG1 VAL 65 30.800 52.441 38.339 1.00 0.00 ATOM 484 CG2 VAL 65 28.407 51.974 39.008 1.00 0.00 ATOM 485 O VAL 65 29.968 53.832 35.304 1.00 0.00 ATOM 486 C VAL 65 29.802 54.471 36.340 1.00 0.00 ATOM 487 N LYS 66 30.311 55.690 36.515 1.00 0.00 ATOM 488 CA LYS 66 31.208 56.273 35.526 1.00 0.00 ATOM 489 CB LYS 66 31.502 57.737 35.884 1.00 0.00 ATOM 490 CG LYS 66 30.252 58.614 35.908 1.00 0.00 ATOM 491 CD LYS 66 30.645 60.076 36.078 1.00 0.00 ATOM 492 CE LYS 66 29.456 60.930 36.461 1.00 0.00 ATOM 493 NZ LYS 66 29.888 62.351 36.685 1.00 0.00 ATOM 494 O LYS 66 32.897 54.869 36.472 1.00 0.00 ATOM 495 C LYS 66 32.489 55.449 35.457 1.00 0.00 ATOM 496 N PRO 67 33.121 55.370 34.268 1.00 0.00 ATOM 497 CA PRO 67 34.318 54.533 34.160 1.00 0.00 ATOM 498 CB PRO 67 34.795 54.774 32.724 1.00 0.00 ATOM 499 CG PRO 67 33.511 55.113 31.978 1.00 0.00 ATOM 500 CD PRO 67 32.752 55.970 32.969 1.00 0.00 ATOM 501 O PRO 67 35.958 53.804 35.747 1.00 0.00 ATOM 502 C PRO 67 35.402 54.782 35.242 1.00 0.00 ATOM 503 N PRO 68 35.676 56.055 35.637 1.00 0.00 ATOM 504 CA PRO 68 36.669 56.235 36.708 1.00 0.00 ATOM 505 CB PRO 68 36.750 57.760 36.854 1.00 0.00 ATOM 506 CG PRO 68 36.320 58.289 35.549 1.00 0.00 ATOM 507 CD PRO 68 35.203 57.363 35.146 1.00 0.00 ATOM 508 O PRO 68 37.227 55.375 38.874 1.00 0.00 ATOM 509 C PRO 68 36.320 55.606 38.062 1.00 0.00 ATOM 510 N GLN 69 35.035 55.328 38.302 1.00 0.00 ATOM 511 CA GLN 69 34.559 54.702 39.538 1.00 0.00 ATOM 512 CB GLN 69 33.217 55.302 39.945 1.00 0.00 ATOM 513 CG GLN 69 33.336 56.600 40.727 1.00 0.00 ATOM 514 CD GLN 69 33.647 57.767 39.829 1.00 0.00 ATOM 515 OE1 GLN 69 32.794 58.212 39.053 1.00 0.00 ATOM 516 NE2 GLN 69 34.877 58.277 39.919 1.00 0.00 ATOM 517 O GLN 69 33.970 52.520 40.388 1.00 0.00 ATOM 518 C GLN 69 34.391 53.174 39.430 1.00 0.00 ATOM 519 N LEU 70 34.705 52.625 38.259 1.00 0.00 ATOM 520 CA LEU 70 34.491 51.205 37.982 1.00 0.00 ATOM 521 CB LEU 70 34.812 50.916 36.515 1.00 0.00 ATOM 522 CG LEU 70 33.917 50.093 35.597 1.00 0.00 ATOM 523 CD1 LEU 70 32.453 50.000 36.060 1.00 0.00 ATOM 524 CD2 LEU 70 34.018 50.698 34.195 1.00 0.00 ATOM 525 O LEU 70 34.763 49.342 39.455 1.00 0.00 ATOM 526 C LEU 70 35.300 50.301 38.909 1.00 0.00 ATOM 527 N ILE 71 36.577 50.613 39.117 1.00 0.00 ATOM 528 CA ILE 71 37.424 49.765 39.974 1.00 0.00 ATOM 529 CB ILE 71 38.918 50.220 39.996 1.00 0.00 ATOM 530 CG1 ILE 71 39.596 49.880 38.667 1.00 0.00 ATOM 531 CG2 ILE 71 39.690 49.557 41.172 1.00 0.00 ATOM 532 CD1 ILE 71 41.034 50.416 38.523 1.00 0.00 ATOM 533 O ILE 71 36.726 48.516 41.910 1.00 0.00 ATOM 534 C ILE 71 36.845 49.626 41.382 1.00 0.00 ATOM 535 N ASP 72 36.453 50.750 41.975 1.00 0.00 ATOM 536 CA ASP 72 35.818 50.745 43.288 1.00 0.00 ATOM 537 CB ASP 72 35.580 52.183 43.768 1.00 0.00 ATOM 538 CG ASP 72 36.880 52.926 44.088 1.00 0.00 ATOM 539 OD1 ASP 72 37.924 52.277 44.356 1.00 0.00 ATOM 540 OD2 ASP 72 36.859 54.179 44.054 1.00 0.00 ATOM 541 O ASP 72 34.229 49.191 44.257 1.00 0.00 ATOM 542 C ASP 72 34.499 49.947 43.310 1.00 0.00 ATOM 543 N TYR 73 33.685 50.109 42.258 1.00 0.00 ATOM 544 CA TYR 73 32.423 49.385 42.149 1.00 0.00 ATOM 545 CB TYR 73 31.624 49.874 40.928 1.00 0.00 ATOM 546 CG TYR 73 30.346 49.106 40.696 1.00 0.00 ATOM 547 CD1 TYR 73 29.209 49.363 41.464 1.00 0.00 ATOM 548 CD2 TYR 73 30.270 48.114 39.714 1.00 0.00 ATOM 549 CE1 TYR 73 28.031 48.670 41.263 1.00 0.00 ATOM 550 CE2 TYR 73 29.091 47.402 39.508 1.00 0.00 ATOM 551 CZ TYR 73 27.981 47.681 40.284 1.00 0.00 ATOM 552 OH TYR 73 26.811 46.999 40.089 1.00 0.00 ATOM 553 O TYR 73 32.018 47.094 42.780 1.00 0.00 ATOM 554 C TYR 73 32.663 47.873 42.073 1.00 0.00 ATOM 555 N LEU 74 33.592 47.465 41.217 1.00 0.00 ATOM 556 CA LEU 74 33.879 46.047 41.041 1.00 0.00 ATOM 557 CB LEU 74 34.862 45.830 39.889 1.00 0.00 ATOM 558 CG LEU 74 34.370 46.258 38.498 1.00 0.00 ATOM 559 CD1 LEU 74 35.461 46.069 37.461 1.00 0.00 ATOM 560 CD2 LEU 74 33.108 45.491 38.096 1.00 0.00 ATOM 561 O LEU 74 34.037 44.343 42.714 1.00 0.00 ATOM 562 C LEU 74 34.421 45.448 42.334 1.00 0.00 ATOM 563 N GLN 75 35.283 46.200 43.016 1.00 0.00 ATOM 564 CA GLN 75 35.838 45.742 44.301 1.00 0.00 ATOM 565 CB GLN 75 36.971 46.676 44.776 1.00 0.00 ATOM 566 CG GLN 75 38.154 46.764 43.770 1.00 0.00 ATOM 567 CD GLN 75 39.417 47.462 44.300 1.00 0.00 ATOM 568 OE1 GLN 75 39.372 48.246 45.259 1.00 0.00 ATOM 569 NE2 GLN 75 40.555 47.173 43.664 1.00 0.00 ATOM 570 O GLN 75 34.691 44.541 46.071 1.00 0.00 ATOM 571 C GLN 75 34.729 45.552 45.358 1.00 0.00 ATOM 572 N GLN 76 33.775 46.469 45.406 1.00 0.00 ATOM 573 CA GLN 76 32.636 46.316 46.315 1.00 0.00 ATOM 574 CB GLN 76 31.776 47.583 46.323 1.00 0.00 ATOM 575 CG GLN 76 30.579 47.546 47.299 1.00 0.00 ATOM 576 CD GLN 76 30.944 47.151 48.732 1.00 0.00 ATOM 577 OE1 GLN 76 32.003 47.528 49.257 1.00 0.00 ATOM 578 NE2 GLN 76 30.061 46.385 49.371 1.00 0.00 ATOM 579 O GLN 76 31.380 44.342 46.907 1.00 0.00 ATOM 580 C GLN 76 31.796 45.069 46.001 1.00 0.00 ATOM 581 N LYS 77 31.572 44.797 44.717 1.00 0.00 ATOM 582 CA LYS 77 30.788 43.627 44.350 1.00 0.00 ATOM 583 CB LYS 77 30.392 43.672 42.864 1.00 0.00 ATOM 584 CG LYS 77 29.395 44.768 42.549 1.00 0.00 ATOM 585 CD LYS 77 28.088 44.488 43.265 1.00 0.00 ATOM 586 CE LYS 77 27.097 45.608 43.070 1.00 0.00 ATOM 587 NZ LYS 77 26.247 45.809 44.269 1.00 0.00 ATOM 588 O LYS 77 30.869 41.340 45.041 1.00 0.00 ATOM 589 C LYS 77 31.512 42.316 44.690 1.00 0.00 ATOM 590 N LYS 78 32.847 42.302 44.607 1.00 0.00 ATOM 591 CA LYS 78 33.615 41.118 45.047 1.00 0.00 ATOM 592 CB LYS 78 35.119 41.303 44.865 1.00 0.00 ATOM 593 CG LYS 78 35.554 41.253 43.428 1.00 0.00 ATOM 594 CD LYS 78 37.062 41.369 43.288 1.00 0.00 ATOM 595 CE LYS 78 37.449 41.298 41.826 1.00 0.00 ATOM 596 NZ LYS 78 38.913 41.231 41.610 1.00 0.00 ATOM 597 O LYS 78 33.131 39.684 46.929 1.00 0.00 ATOM 598 C LYS 78 33.334 40.831 46.522 1.00 0.00 ATOM 599 N THR 79 33.317 41.904 47.292 1.00 0.00 ATOM 600 CA THR 79 32.992 41.873 48.713 1.00 0.00 ATOM 601 CB THR 79 33.081 43.325 49.202 1.00 0.00 ATOM 602 CG2 THR 79 32.109 43.653 50.276 1.00 0.00 ATOM 603 OG1 THR 79 34.439 43.607 49.571 1.00 0.00 ATOM 604 O THR 79 31.379 40.607 50.014 1.00 0.00 ATOM 605 C THR 79 31.617 41.245 48.969 1.00 0.00 ATOM 606 N GLU 80 30.714 41.411 48.009 1.00 0.00 ATOM 607 CA GLU 80 29.344 40.911 48.113 1.00 0.00 ATOM 608 CB GLU 80 28.362 41.906 47.483 1.00 0.00 ATOM 609 CG GLU 80 28.214 43.202 48.292 1.00 0.00 ATOM 610 CD GLU 80 27.660 44.361 47.497 1.00 0.00 ATOM 611 OE1 GLU 80 27.029 44.128 46.442 1.00 0.00 ATOM 612 OE2 GLU 80 27.861 45.521 47.932 1.00 0.00 ATOM 613 O GLU 80 28.077 39.001 47.386 1.00 0.00 ATOM 614 C GLU 80 29.196 39.520 47.507 1.00 0.00 ATOM 615 N GLY 81 30.335 38.925 47.135 1.00 0.00 ATOM 616 CA GLY 81 30.390 37.553 46.675 1.00 0.00 ATOM 617 O GLY 81 30.069 36.277 44.702 1.00 0.00 ATOM 618 C GLY 81 30.248 37.393 45.168 1.00 0.00 ATOM 619 N TYR 82 30.319 38.496 44.425 1.00 0.00 ATOM 620 CA TYR 82 30.241 38.420 42.940 1.00 0.00 ATOM 621 CB TYR 82 29.793 39.766 42.319 1.00 0.00 ATOM 622 CG TYR 82 28.292 39.902 42.361 1.00 0.00 ATOM 623 CD1 TYR 82 27.637 40.320 43.518 1.00 0.00 ATOM 624 CD2 TYR 82 27.519 39.535 41.264 1.00 0.00 ATOM 625 CE1 TYR 82 26.250 40.391 43.572 1.00 0.00 ATOM 626 CE2 TYR 82 26.139 39.593 41.305 1.00 0.00 ATOM 627 CZ TYR 82 25.507 40.023 42.464 1.00 0.00 ATOM 628 OH TYR 82 24.123 40.100 42.511 1.00 0.00 ATOM 629 O TYR 82 32.626 38.402 42.799 1.00 0.00 ATOM 630 C TYR 82 31.557 37.985 42.338 1.00 0.00 ATOM 631 N THR 83 31.460 37.140 41.311 1.00 0.00 ATOM 632 CA THR 83 32.590 36.824 40.446 1.00 0.00 ATOM 633 CB THR 83 32.465 35.393 39.877 1.00 0.00 ATOM 634 CG2 THR 83 33.615 35.075 38.895 1.00 0.00 ATOM 635 OG1 THR 83 32.496 34.453 40.957 1.00 0.00 ATOM 636 O THR 83 31.548 38.013 38.648 1.00 0.00 ATOM 637 C THR 83 32.585 37.830 39.314 1.00 0.00 ATOM 638 N ILE 84 33.726 38.493 39.120 1.00 0.00 ATOM 639 CA ILE 84 33.833 39.541 38.093 1.00 0.00 ATOM 640 CB ILE 84 34.803 40.671 38.537 1.00 0.00 ATOM 641 CG1 ILE 84 34.455 41.166 39.964 1.00 0.00 ATOM 642 CG2 ILE 84 34.880 41.796 37.493 1.00 0.00 ATOM 643 CD1 ILE 84 33.026 41.671 40.151 1.00 0.00 ATOM 644 O ILE 84 35.489 38.478 36.737 1.00 0.00 ATOM 645 C ILE 84 34.329 38.880 36.820 1.00 0.00 ATOM 646 N ILE 85 33.426 38.766 35.842 1.00 0.00 ATOM 647 CA ILE 85 33.678 38.065 34.580 1.00 0.00 ATOM 648 CB ILE 85 32.493 37.143 34.249 1.00 0.00 ATOM 649 CG1 ILE 85 32.268 36.131 35.395 1.00 0.00 ATOM 650 CG2 ILE 85 32.663 36.447 32.869 1.00 0.00 ATOM 651 CD1 ILE 85 30.952 35.331 35.315 1.00 0.00 ATOM 652 O ILE 85 32.926 39.763 33.088 1.00 0.00 ATOM 653 C ILE 85 33.868 39.084 33.468 1.00 0.00 ATOM 654 N GLY 86 35.084 39.170 32.931 1.00 0.00 ATOM 655 CA GLY 86 35.312 39.992 31.748 1.00 0.00 ATOM 656 O GLY 86 34.971 38.013 30.446 1.00 0.00 ATOM 657 C GLY 86 34.795 39.228 30.551 1.00 0.00 ATOM 658 N VAL 87 34.091 39.929 29.678 1.00 0.00 ATOM 659 CA VAL 87 33.611 39.322 28.456 1.00 0.00 ATOM 660 CB VAL 87 32.152 39.712 28.175 1.00 0.00 ATOM 661 CG1 VAL 87 31.653 39.055 26.869 1.00 0.00 ATOM 662 CG2 VAL 87 31.263 39.331 29.380 1.00 0.00 ATOM 663 O VAL 87 34.442 40.979 26.914 1.00 0.00 ATOM 664 C VAL 87 34.534 39.824 27.354 1.00 0.00 ATOM 665 N GLU 88 35.459 38.970 26.935 1.00 0.00 ATOM 666 CA GLU 88 36.506 39.447 26.038 1.00 0.00 ATOM 667 CB GLU 88 37.413 40.438 26.780 1.00 0.00 ATOM 668 CG GLU 88 38.449 41.177 25.892 1.00 0.00 ATOM 669 CD GLU 88 37.815 41.924 24.717 1.00 0.00 ATOM 670 OE1 GLU 88 37.724 43.165 24.821 1.00 0.00 ATOM 671 OE2 GLU 88 37.382 41.277 23.717 1.00 0.00 ATOM 672 O GLU 88 37.549 37.287 26.112 1.00 0.00 ATOM 673 C GLU 88 37.341 38.322 25.466 1.00 0.00 ATOM 674 N GLN 89 37.836 38.561 24.255 1.00 0.00 ATOM 675 CA GLN 89 38.724 37.624 23.562 1.00 0.00 ATOM 676 CB GLN 89 38.593 37.791 22.040 1.00 0.00 ATOM 677 CG GLN 89 37.170 37.571 21.514 1.00 0.00 ATOM 678 CD GLN 89 37.031 37.957 20.052 1.00 0.00 ATOM 679 OE1 GLN 89 36.999 39.136 19.705 1.00 0.00 ATOM 680 NE2 GLN 89 36.951 36.962 19.200 1.00 0.00 ATOM 681 O GLN 89 40.645 39.037 23.744 1.00 0.00 ATOM 682 C GLN 89 40.150 37.944 24.017 1.00 0.00 ATOM 683 N THR 90 40.761 37.029 24.771 1.00 0.00 ATOM 684 CA THR 90 42.137 37.211 25.280 1.00 0.00 ATOM 685 CB THR 90 42.196 37.799 26.736 1.00 0.00 ATOM 686 CG2 THR 90 41.241 38.979 26.956 1.00 0.00 ATOM 687 OG1 THR 90 41.898 36.768 27.679 1.00 0.00 ATOM 688 O THR 90 42.141 34.801 25.269 1.00 0.00 ATOM 689 C THR 90 42.812 35.845 25.310 1.00 0.00 ATOM 690 N ALA 91 44.144 35.845 25.425 1.00 0.00 ATOM 691 CA ALA 91 44.887 34.590 25.402 1.00 0.00 ATOM 692 CB ALA 91 46.397 34.872 25.309 1.00 0.00 ATOM 693 O ALA 91 44.772 32.453 26.519 1.00 0.00 ATOM 694 C ALA 91 44.576 33.680 26.593 1.00 0.00 ATOM 695 N LYS 92 44.062 34.271 27.674 1.00 0.00 ATOM 696 CA LYS 92 43.743 33.511 28.887 1.00 0.00 ATOM 697 CB LYS 92 44.429 34.137 30.099 1.00 0.00 ATOM 698 CG LYS 92 45.951 33.948 30.043 1.00 0.00 ATOM 699 CD LYS 92 46.616 34.283 31.368 1.00 0.00 ATOM 700 CE LYS 92 48.093 33.892 31.358 1.00 0.00 ATOM 701 NZ LYS 92 48.831 34.639 32.430 1.00 0.00 ATOM 702 O LYS 92 41.808 32.889 30.200 1.00 0.00 ATOM 703 C LYS 92 42.241 33.350 29.125 1.00 0.00 ATOM 704 N SER 93 41.446 33.706 28.121 1.00 0.00 ATOM 705 CA SER 93 39.992 33.595 28.277 1.00 0.00 ATOM 706 CB SER 93 39.271 34.370 27.176 1.00 0.00 ATOM 707 OG SER 93 39.440 35.761 27.374 1.00 0.00 ATOM 708 O SER 93 40.074 31.319 27.556 1.00 0.00 ATOM 709 C SER 93 39.526 32.142 28.281 1.00 0.00 ATOM 710 N LEU 94 38.538 31.846 29.129 1.00 0.00 ATOM 711 CA LEU 94 37.840 30.561 29.130 1.00 0.00 ATOM 712 CB LEU 94 37.183 30.311 30.482 1.00 0.00 ATOM 713 CG LEU 94 38.137 30.328 31.689 1.00 0.00 ATOM 714 CD1 LEU 94 37.426 29.905 32.953 1.00 0.00 ATOM 715 CD2 LEU 94 39.357 29.452 31.478 1.00 0.00 ATOM 716 O LEU 94 36.127 31.546 27.773 1.00 0.00 ATOM 717 C LEU 94 36.781 30.542 28.033 1.00 0.00 ATOM 718 N ASP 95 36.613 29.384 27.397 1.00 0.00 ATOM 719 CA ASP 95 35.652 29.225 26.317 1.00 0.00 ATOM 720 CB ASP 95 35.983 27.911 25.586 1.00 0.00 ATOM 721 CG ASP 95 35.225 27.736 24.282 1.00 0.00 ATOM 722 OD1 ASP 95 35.901 27.498 23.254 1.00 0.00 ATOM 723 OD2 ASP 95 33.972 27.781 24.273 1.00 0.00 ATOM 724 O ASP 95 34.019 28.316 27.800 1.00 0.00 ATOM 725 C ASP 95 34.254 29.134 26.914 1.00 0.00 ATOM 726 N LEU 96 33.327 29.950 26.414 1.00 0.00 ATOM 727 CA LEU 96 31.933 29.924 26.896 1.00 0.00 ATOM 728 CB LEU 96 31.040 30.896 26.104 1.00 0.00 ATOM 729 CG LEU 96 29.578 31.047 26.544 1.00 0.00 ATOM 730 CD1 LEU 96 29.450 31.439 28.012 1.00 0.00 ATOM 731 CD2 LEU 96 28.905 32.107 25.673 1.00 0.00 ATOM 732 O LEU 96 30.507 28.208 27.782 1.00 0.00 ATOM 733 C LEU 96 31.310 28.525 26.899 1.00 0.00 ATOM 734 N THR 97 31.691 27.685 25.940 1.00 0.00 ATOM 735 CA THR 97 31.134 26.313 25.892 1.00 0.00 ATOM 736 CB THR 97 31.512 25.558 24.606 1.00 0.00 ATOM 737 CG2 THR 97 31.012 26.311 23.381 1.00 0.00 ATOM 738 OG1 THR 97 32.935 25.386 24.536 1.00 0.00 ATOM 739 O THR 97 30.928 24.392 27.313 1.00 0.00 ATOM 740 C THR 97 31.550 25.432 27.076 1.00 0.00 ATOM 741 N GLN 98 32.595 25.846 27.788 1.00 0.00 ATOM 742 CA GLN 98 33.157 25.076 28.899 1.00 0.00 ATOM 743 CB GLN 98 34.639 24.795 28.637 1.00 0.00 ATOM 744 CG GLN 98 34.930 24.095 27.304 1.00 0.00 ATOM 745 CD GLN 98 36.361 24.297 26.831 1.00 0.00 ATOM 746 OE1 GLN 98 37.265 24.578 27.629 1.00 0.00 ATOM 747 NE2 GLN 98 36.575 24.169 25.521 1.00 0.00 ATOM 748 O GLN 98 33.588 25.351 31.250 1.00 0.00 ATOM 749 C GLN 98 33.025 25.802 30.244 1.00 0.00 ATOM 750 N TYR 99 32.320 26.928 30.265 1.00 0.00 ATOM 751 CA TYR 99 32.288 27.759 31.464 1.00 0.00 ATOM 752 CB TYR 99 32.515 29.240 31.133 1.00 0.00 ATOM 753 CG TYR 99 32.623 30.094 32.389 1.00 0.00 ATOM 754 CD1 TYR 99 33.748 30.016 33.215 1.00 0.00 ATOM 755 CD2 TYR 99 31.600 30.973 32.751 1.00 0.00 ATOM 756 CE1 TYR 99 33.851 30.791 34.386 1.00 0.00 ATOM 757 CE2 TYR 99 31.684 31.754 33.906 1.00 0.00 ATOM 758 CZ TYR 99 32.809 31.654 34.729 1.00 0.00 ATOM 759 OH TYR 99 32.891 32.419 35.874 1.00 0.00 ATOM 760 O TYR 99 29.903 27.771 31.696 1.00 0.00 ATOM 761 C TYR 99 30.990 27.602 32.246 1.00 0.00 ATOM 762 N CYS 100 31.126 27.293 33.532 1.00 0.00 ATOM 763 CA CYS 100 29.990 27.176 34.432 1.00 0.00 ATOM 764 CB CYS 100 30.155 25.935 35.312 1.00 0.00 ATOM 765 SG CYS 100 28.829 25.677 36.486 1.00 0.00 ATOM 766 O CYS 100 30.685 28.728 36.145 1.00 0.00 ATOM 767 C CYS 100 29.842 28.439 35.279 1.00 0.00 ATOM 768 N PHE 101 28.779 29.204 35.020 1.00 0.00 ATOM 769 CA PHE 101 28.562 30.463 35.731 1.00 0.00 ATOM 770 CB PHE 101 27.419 31.270 35.130 1.00 0.00 ATOM 771 CG PHE 101 27.745 31.865 33.815 1.00 0.00 ATOM 772 CD1 PHE 101 28.280 33.146 33.745 1.00 0.00 ATOM 773 CD2 PHE 101 27.507 31.152 32.644 1.00 0.00 ATOM 774 CE1 PHE 101 28.606 33.721 32.497 1.00 0.00 ATOM 775 CE2 PHE 101 27.816 31.717 31.387 1.00 0.00 ATOM 776 CZ PHE 101 28.365 33.010 31.324 1.00 0.00 ATOM 777 O PHE 101 27.345 29.515 37.551 1.00 0.00 ATOM 778 C PHE 101 28.234 30.299 37.199 1.00 0.00 ATOM 779 N PRO 102 28.919 31.071 38.049 1.00 0.00 ATOM 780 CA PRO 102 28.454 31.170 39.428 1.00 0.00 ATOM 781 CB PRO 102 29.543 32.010 40.111 1.00 0.00 ATOM 782 CG PRO 102 30.707 31.975 39.207 1.00 0.00 ATOM 783 CD PRO 102 30.129 31.876 37.819 1.00 0.00 ATOM 784 O PRO 102 26.807 32.736 38.653 1.00 0.00 ATOM 785 C PRO 102 27.131 31.911 39.507 1.00 0.00 ATOM 786 N GLU 103 26.355 31.643 40.548 1.00 0.00 ATOM 787 CA GLU 103 25.095 32.322 40.694 1.00 0.00 ATOM 788 CB GLU 103 24.451 31.890 42.003 1.00 0.00 ATOM 789 CG GLU 103 23.042 32.325 42.162 1.00 0.00 ATOM 790 CD GLU 103 22.457 31.809 43.466 1.00 0.00 ATOM 791 OE1 GLU 103 23.220 31.222 44.276 1.00 0.00 ATOM 792 OE2 GLU 103 21.245 31.981 43.672 1.00 0.00 ATOM 793 O GLU 103 24.576 34.545 39.965 1.00 0.00 ATOM 794 C GLU 103 25.268 33.843 40.681 1.00 0.00 ATOM 795 N LYS 104 26.211 34.345 41.478 1.00 0.00 ATOM 796 CA LYS 104 26.482 35.770 41.519 1.00 0.00 ATOM 797 CB LYS 104 26.963 36.198 42.903 1.00 0.00 ATOM 798 CG LYS 104 25.872 36.290 43.923 1.00 0.00 ATOM 799 CD LYS 104 26.507 36.741 45.233 1.00 0.00 ATOM 800 CE LYS 104 25.727 36.258 46.387 1.00 0.00 ATOM 801 NZ LYS 104 26.507 36.581 47.604 1.00 0.00 ATOM 802 O LYS 104 28.749 36.088 40.772 1.00 0.00 ATOM 803 C LYS 104 27.535 36.090 40.476 1.00 0.00 ATOM 804 N SER 105 27.062 36.311 39.243 1.00 0.00 ATOM 805 CA SER 105 27.950 36.653 38.118 1.00 0.00 ATOM 806 CB SER 105 27.618 35.822 36.863 1.00 0.00 ATOM 807 OG SER 105 28.006 34.459 36.977 1.00 0.00 ATOM 808 O SER 105 26.629 38.595 37.659 1.00 0.00 ATOM 809 C SER 105 27.766 38.112 37.773 1.00 0.00 ATOM 810 N LEU 106 28.890 38.798 37.565 1.00 0.00 ATOM 811 CA LEU 106 28.875 40.154 37.049 1.00 0.00 ATOM 812 CB LEU 106 29.544 41.096 38.050 1.00 0.00 ATOM 813 CG LEU 106 29.631 42.571 37.653 1.00 0.00 ATOM 814 CD1 LEU 106 29.711 43.445 38.888 1.00 0.00 ATOM 815 CD2 LEU 106 30.830 42.814 36.755 1.00 0.00 ATOM 816 O LEU 106 30.765 39.680 35.660 1.00 0.00 ATOM 817 C LEU 106 29.624 40.146 35.721 1.00 0.00 ATOM 818 N LEU 107 28.957 40.630 34.673 1.00 0.00 ATOM 819 CA LEU 107 29.534 40.585 33.317 1.00 0.00 ATOM 820 CB LEU 107 28.474 40.171 32.295 1.00 0.00 ATOM 821 CG LEU 107 27.753 38.862 32.596 1.00 0.00 ATOM 822 CD1 LEU 107 26.719 38.563 31.499 1.00 0.00 ATOM 823 CD2 LEU 107 28.738 37.707 32.727 1.00 0.00 ATOM 824 O LEU 107 29.277 42.906 32.911 1.00 0.00 ATOM 825 C LEU 107 30.054 41.960 32.957 1.00 0.00 ATOM 826 N LEU 108 31.353 42.071 32.671 1.00 0.00 ATOM 827 CA LEU 108 31.922 43.359 32.265 1.00 0.00 ATOM 828 CB LEU 108 33.237 43.643 33.008 1.00 0.00 ATOM 829 CG LEU 108 33.931 44.958 32.638 1.00 0.00 ATOM 830 CD1 LEU 108 33.083 46.186 33.013 1.00 0.00 ATOM 831 CD2 LEU 108 35.297 45.068 33.325 1.00 0.00 ATOM 832 O LEU 108 32.998 42.549 30.284 1.00 0.00 ATOM 833 C LEU 108 32.160 43.316 30.756 1.00 0.00 ATOM 834 N LEU 109 31.383 44.107 30.018 1.00 0.00 ATOM 835 CA LEU 109 31.529 44.190 28.556 1.00 0.00 ATOM 836 CB LEU 109 30.167 44.474 27.913 1.00 0.00 ATOM 837 CG LEU 109 29.149 43.336 28.072 1.00 0.00 ATOM 838 CD1 LEU 109 27.736 43.909 27.889 1.00 0.00 ATOM 839 CD2 LEU 109 29.436 42.240 27.070 1.00 0.00 ATOM 840 O LEU 109 32.718 46.261 28.871 1.00 0.00 ATOM 841 C LEU 109 32.537 45.268 28.159 1.00 0.00 ATOM 842 N GLY 110 33.202 45.073 27.021 1.00 0.00 ATOM 843 CA GLY 110 34.217 46.029 26.592 1.00 0.00 ATOM 844 O GLY 110 32.560 47.097 25.202 1.00 0.00 ATOM 845 C GLY 110 33.669 47.162 25.741 1.00 0.00 ATOM 846 N ASN 111 34.482 48.204 25.599 1.00 0.00 ATOM 847 CA ASN 111 34.188 49.286 24.665 1.00 0.00 ATOM 848 CB ASN 111 35.256 50.349 24.852 1.00 0.00 ATOM 849 CG ASN 111 35.088 51.504 23.915 1.00 0.00 ATOM 850 ND2 ASN 111 34.130 52.372 24.206 1.00 0.00 ATOM 851 OD1 ASN 111 35.807 51.607 22.922 1.00 0.00 ATOM 852 O ASN 111 34.928 47.881 22.858 1.00 0.00 ATOM 853 C ASN 111 34.190 48.796 23.207 1.00 0.00 ATOM 854 N GLU 112 33.363 49.397 22.352 1.00 0.00 ATOM 855 CA GLU 112 33.244 48.945 20.963 1.00 0.00 ATOM 856 CB GLU 112 32.216 49.794 20.188 1.00 0.00 ATOM 857 CG GLU 112 30.764 49.648 20.659 1.00 0.00 ATOM 858 CD GLU 112 30.352 50.642 21.738 1.00 0.00 ATOM 859 OE1 GLU 112 31.206 51.125 22.523 1.00 0.00 ATOM 860 OE2 GLU 112 29.144 50.945 21.799 1.00 0.00 ATOM 861 O GLU 112 34.858 48.149 19.383 1.00 0.00 ATOM 862 C GLU 112 34.581 48.990 20.225 1.00 0.00 ATOM 863 N ARG 113 35.381 49.999 20.526 1.00 0.00 ATOM 864 CA ARG 113 36.651 50.216 19.834 1.00 0.00 ATOM 865 CB ARG 113 36.888 51.723 19.644 1.00 0.00 ATOM 866 CG ARG 113 36.234 52.313 18.406 1.00 0.00 ATOM 867 CD ARG 113 36.627 53.792 18.194 1.00 0.00 ATOM 868 NE ARG 113 35.638 54.720 18.759 1.00 0.00 ATOM 869 CZ ARG 113 35.782 56.045 18.813 1.00 0.00 ATOM 870 NH1 ARG 113 36.883 56.629 18.350 1.00 0.00 ATOM 871 NH2 ARG 113 34.821 56.797 19.343 1.00 0.00 ATOM 872 O ARG 113 38.657 48.916 20.057 1.00 0.00 ATOM 873 C ARG 113 37.805 49.607 20.618 1.00 0.00 ATOM 874 N GLU 114 37.806 49.852 21.926 1.00 0.00 ATOM 875 CA GLU 114 38.970 49.602 22.768 1.00 0.00 ATOM 876 CB GLU 114 39.155 50.752 23.765 1.00 0.00 ATOM 877 CG GLU 114 38.882 52.172 23.223 1.00 0.00 ATOM 878 CD GLU 114 39.994 52.725 22.344 1.00 0.00 ATOM 879 OE1 GLU 114 40.726 51.932 21.705 1.00 0.00 ATOM 880 OE2 GLU 114 40.124 53.974 22.280 1.00 0.00 ATOM 881 O GLU 114 39.897 47.878 24.145 1.00 0.00 ATOM 882 C GLU 114 38.901 48.287 23.555 1.00 0.00 ATOM 883 N GLY 115 37.739 47.634 23.587 1.00 0.00 ATOM 884 CA GLY 115 37.598 46.432 24.444 1.00 0.00 ATOM 885 O GLY 115 37.319 47.891 26.330 1.00 0.00 ATOM 886 C GLY 115 37.682 46.789 25.927 1.00 0.00 ATOM 887 N ILE 116 38.174 45.860 26.748 1.00 0.00 ATOM 888 CA ILE 116 38.349 46.129 28.173 1.00 0.00 ATOM 889 CB ILE 116 38.138 44.840 29.024 1.00 0.00 ATOM 890 CG1 ILE 116 36.731 44.246 28.795 1.00 0.00 ATOM 891 CG2 ILE 116 38.351 45.141 30.508 1.00 0.00 ATOM 892 CD1 ILE 116 36.482 42.953 29.554 1.00 0.00 ATOM 893 O ILE 116 40.736 46.110 27.982 1.00 0.00 ATOM 894 C ILE 116 39.759 46.717 28.403 1.00 0.00 ATOM 895 N PRO 117 39.866 47.905 29.022 1.00 0.00 ATOM 896 CA PRO 117 41.223 48.460 29.230 1.00 0.00 ATOM 897 CB PRO 117 40.954 49.841 29.810 1.00 0.00 ATOM 898 CG PRO 117 39.577 49.763 30.409 1.00 0.00 ATOM 899 CD PRO 117 38.814 48.810 29.527 1.00 0.00 ATOM 900 O PRO 117 41.500 46.994 31.101 1.00 0.00 ATOM 901 C PRO 117 42.054 47.644 30.221 1.00 0.00 ATOM 902 N ALA 118 43.380 47.708 30.093 1.00 0.00 ATOM 903 CA ALA 118 44.282 46.953 30.977 1.00 0.00 ATOM 904 CB ALA 118 45.746 47.263 30.630 1.00 0.00 ATOM 905 O ALA 118 44.079 46.142 33.220 1.00 0.00 ATOM 906 C ALA 118 44.048 47.126 32.479 1.00 0.00 ATOM 907 N ASN 119 43.791 48.353 32.922 1.00 0.00 ATOM 908 CA ASN 119 43.525 48.616 34.343 1.00 0.00 ATOM 909 CB ASN 119 43.395 50.125 34.624 1.00 0.00 ATOM 910 CG ASN 119 42.068 50.707 34.158 1.00 0.00 ATOM 911 ND2 ASN 119 41.389 51.423 35.053 1.00 0.00 ATOM 912 OD1 ASN 119 41.672 50.543 33.009 1.00 0.00 ATOM 913 O ASN 119 42.232 47.558 36.071 1.00 0.00 ATOM 914 C ASN 119 42.319 47.851 34.872 1.00 0.00 ATOM 915 N LEU 120 41.390 47.505 33.983 1.00 0.00 ATOM 916 CA LEU 120 40.256 46.699 34.405 1.00 0.00 ATOM 917 CB LEU 120 38.973 47.117 33.700 1.00 0.00 ATOM 918 CG LEU 120 38.530 48.541 34.052 1.00 0.00 ATOM 919 CD1 LEU 120 37.242 48.863 33.345 1.00 0.00 ATOM 920 CD2 LEU 120 38.378 48.729 35.550 1.00 0.00 ATOM 921 O LEU 120 39.976 44.423 35.027 1.00 0.00 ATOM 922 C LEU 120 40.496 45.204 34.250 1.00 0.00 ATOM 923 N ILE 121 41.287 44.807 33.252 1.00 0.00 ATOM 924 CA ILE 121 41.659 43.402 33.122 1.00 0.00 ATOM 925 CB ILE 121 42.657 43.161 31.969 1.00 0.00 ATOM 926 CG1 ILE 121 42.047 43.544 30.612 1.00 0.00 ATOM 927 CG2 ILE 121 43.077 41.684 31.960 1.00 0.00 ATOM 928 CD1 ILE 121 41.017 42.552 30.061 1.00 0.00 ATOM 929 O ILE 121 41.994 41.757 34.856 1.00 0.00 ATOM 930 C ILE 121 42.262 42.883 34.441 1.00 0.00 ATOM 931 N GLN 122 43.073 43.720 35.083 1.00 0.00 ATOM 932 CA GLN 122 43.633 43.446 36.410 1.00 0.00 ATOM 933 CB GLN 122 44.380 44.674 36.914 1.00 0.00 ATOM 934 CG GLN 122 45.614 45.060 36.133 1.00 0.00 ATOM 935 CD GLN 122 46.585 45.880 36.986 1.00 0.00 ATOM 936 OE1 GLN 122 47.761 45.993 36.654 1.00 0.00 ATOM 937 NE2 GLN 122 46.095 46.439 38.099 1.00 0.00 ATOM 938 O GLN 122 42.928 42.397 38.447 1.00 0.00 ATOM 939 C GLN 122 42.611 43.105 37.492 1.00 0.00 ATOM 940 N GLN 123 41.409 43.667 37.372 1.00 0.00 ATOM 941 CA GLN 123 40.374 43.517 38.390 1.00 0.00 ATOM 942 CB GLN 123 39.494 44.778 38.449 1.00 0.00 ATOM 943 CG GLN 123 40.227 46.063 38.838 1.00 0.00 ATOM 944 CD GLN 123 40.892 45.983 40.203 1.00 0.00 ATOM 945 OE1 GLN 123 40.290 45.517 41.173 1.00 0.00 ATOM 946 NE2 GLN 123 42.147 46.431 40.279 1.00 0.00 ATOM 947 O GLN 123 38.676 41.943 39.014 1.00 0.00 ATOM 948 C GLN 123 39.495 42.285 38.163 1.00 0.00 ATOM 949 N LEU 124 39.667 41.625 37.021 1.00 0.00 ATOM 950 CA LEU 124 38.831 40.472 36.663 1.00 0.00 ATOM 951 CB LEU 124 38.972 40.151 35.166 1.00 0.00 ATOM 952 CG LEU 124 38.658 41.298 34.198 1.00 0.00 ATOM 953 CD1 LEU 124 38.979 40.813 32.795 1.00 0.00 ATOM 954 CD2 LEU 124 37.213 41.716 34.305 1.00 0.00 ATOM 955 O LEU 124 40.340 38.989 37.776 1.00 0.00 ATOM 956 C LEU 124 39.169 39.228 37.460 1.00 0.00 ATOM 957 N ASP 125 38.145 38.443 37.792 1.00 0.00 ATOM 958 CA ASP 125 38.361 37.111 38.354 1.00 0.00 ATOM 959 CB ASP 125 37.183 36.679 39.233 1.00 0.00 ATOM 960 CG ASP 125 37.080 37.510 40.504 1.00 0.00 ATOM 961 OD1 ASP 125 38.133 37.673 41.172 1.00 0.00 ATOM 962 OD2 ASP 125 35.969 38.008 40.821 1.00 0.00 ATOM 963 O ASP 125 39.412 35.165 37.434 1.00 0.00 ATOM 964 C ASP 125 38.622 36.096 37.257 1.00 0.00 ATOM 965 N VAL 126 37.957 36.287 36.116 1.00 0.00 ATOM 966 CA VAL 126 38.073 35.376 34.985 1.00 0.00 ATOM 967 CB VAL 126 37.126 34.146 35.169 1.00 0.00 ATOM 968 CG1 VAL 126 35.665 34.549 35.090 1.00 0.00 ATOM 969 CG2 VAL 126 37.434 33.023 34.190 1.00 0.00 ATOM 970 O VAL 126 37.021 37.216 33.877 1.00 0.00 ATOM 971 C VAL 126 37.677 36.186 33.753 1.00 0.00 ATOM 972 N CYS 127 38.119 35.720 32.588 1.00 0.00 ATOM 973 CA CYS 127 37.696 36.263 31.304 1.00 0.00 ATOM 974 CB CYS 127 38.904 36.723 30.494 1.00 0.00 ATOM 975 SG CYS 127 39.544 38.296 31.027 1.00 0.00 ATOM 976 O CYS 127 37.418 33.984 30.650 1.00 0.00 ATOM 977 C CYS 127 36.996 35.144 30.567 1.00 0.00 ATOM 978 N VAL 128 35.919 35.481 29.867 1.00 0.00 ATOM 979 CA VAL 128 35.193 34.469 29.101 1.00 0.00 ATOM 980 CB VAL 128 33.819 34.107 29.752 1.00 0.00 ATOM 981 CG1 VAL 128 32.981 33.187 28.846 1.00 0.00 ATOM 982 CG2 VAL 128 34.063 33.443 31.100 1.00 0.00 ATOM 983 O VAL 128 34.724 36.110 27.429 1.00 0.00 ATOM 984 C VAL 128 35.039 34.949 27.665 1.00 0.00 ATOM 985 N GLU 129 35.313 34.047 26.724 1.00 0.00 ATOM 986 CA GLU 129 35.190 34.373 25.310 1.00 0.00 ATOM 987 CB GLU 129 36.563 34.436 24.617 1.00 0.00 ATOM 988 CG GLU 129 37.251 33.115 24.441 1.00 0.00 ATOM 989 CD GLU 129 38.600 33.227 23.696 1.00 0.00 ATOM 990 OE1 GLU 129 39.165 34.340 23.556 1.00 0.00 ATOM 991 OE2 GLU 129 39.102 32.166 23.253 1.00 0.00 ATOM 992 O GLU 129 34.120 32.223 24.931 1.00 0.00 ATOM 993 C GLU 129 34.231 33.426 24.600 1.00 0.00 ATOM 994 N ILE 130 33.524 33.987 23.634 1.00 0.00 ATOM 995 CA ILE 130 32.637 33.216 22.762 1.00 0.00 ATOM 996 CB ILE 130 31.542 34.135 22.211 1.00 0.00 ATOM 997 CG1 ILE 130 30.727 34.753 23.371 1.00 0.00 ATOM 998 CG2 ILE 130 30.627 33.378 21.271 1.00 0.00 ATOM 999 CD1 ILE 130 30.045 36.066 23.028 1.00 0.00 ATOM 1000 O ILE 130 34.093 33.516 20.920 1.00 0.00 ATOM 1001 C ILE 130 33.485 32.711 21.603 1.00 0.00 ATOM 1002 N PRO 131 33.521 31.382 21.375 1.00 0.00 ATOM 1003 CA PRO 131 34.352 30.870 20.250 1.00 0.00 ATOM 1004 CB PRO 131 34.285 29.347 20.416 1.00 0.00 ATOM 1005 CG PRO 131 32.991 29.108 21.161 1.00 0.00 ATOM 1006 CD PRO 131 32.835 30.300 22.102 1.00 0.00 ATOM 1007 O PRO 131 32.551 31.284 18.718 1.00 0.00 ATOM 1008 C PRO 131 33.772 31.284 18.891 1.00 0.00 ATOM 1009 N GLN 132 34.640 31.618 17.941 1.00 0.00 ATOM 1010 CA GLN 132 34.214 32.065 16.609 1.00 0.00 ATOM 1011 CB GLN 132 34.672 33.501 16.348 1.00 0.00 ATOM 1012 CG GLN 132 34.130 34.522 17.344 1.00 0.00 ATOM 1013 CD GLN 132 34.446 35.940 16.968 1.00 0.00 ATOM 1014 OE1 GLN 132 35.095 36.218 15.936 1.00 0.00 ATOM 1015 NE2 GLN 132 33.992 36.856 17.775 1.00 0.00 ATOM 1016 O GLN 132 35.777 30.450 15.757 1.00 0.00 ATOM 1017 C GLN 132 34.771 31.128 15.534 1.00 0.00 ATOM 1018 N GLN 133 34.107 31.085 14.380 1.00 0.00 ATOM 1019 CA GLN 133 34.530 30.198 13.291 1.00 0.00 ATOM 1020 CB GLN 133 33.415 29.237 12.949 1.00 0.00 ATOM 1021 CG GLN 133 32.958 28.370 14.072 1.00 0.00 ATOM 1022 CD GLN 133 31.735 27.587 13.689 1.00 0.00 ATOM 1023 OE1 GLN 133 31.569 27.184 12.527 1.00 0.00 ATOM 1024 NE2 GLN 133 30.863 27.360 14.658 1.00 0.00 ATOM 1025 O GLN 133 35.717 30.461 11.219 1.00 0.00 ATOM 1026 C GLN 133 34.902 30.946 12.020 1.00 0.00 ATOM 1027 N GLY 134 34.309 32.115 11.816 1.00 0.00 ATOM 1028 CA GLY 134 34.495 32.842 10.570 1.00 0.00 ATOM 1029 O GLY 134 36.674 33.588 11.309 1.00 0.00 ATOM 1030 C GLY 134 35.726 33.733 10.516 1.00 0.00 ATOM 1031 N ILE 135 35.685 34.684 9.586 1.00 0.00 ATOM 1032 CA ILE 135 36.774 35.613 9.323 1.00 0.00 ATOM 1033 CB ILE 135 36.821 35.968 7.798 1.00 0.00 ATOM 1034 CG1 ILE 135 36.971 34.705 6.942 1.00 0.00 ATOM 1035 CG2 ILE 135 37.891 36.997 7.503 1.00 0.00 ATOM 1036 CD1 ILE 135 38.097 33.758 7.336 1.00 0.00 ATOM 1037 O ILE 135 37.719 37.488 10.511 1.00 0.00 ATOM 1038 C ILE 135 36.693 36.914 10.130 1.00 0.00 ATOM 1039 N ILE 136 35.468 37.386 10.375 1.00 0.00 ATOM 1040 CA ILE 136 35.258 38.630 11.097 1.00 0.00 ATOM 1041 CB ILE 136 33.761 39.053 11.092 1.00 0.00 ATOM 1042 CG1 ILE 136 33.284 39.359 9.664 1.00 0.00 ATOM 1043 CG2 ILE 136 33.518 40.247 12.010 1.00 0.00 ATOM 1044 CD1 ILE 136 34.091 40.388 8.922 1.00 0.00 ATOM 1045 O ILE 136 35.634 37.450 13.178 1.00 0.00 ATOM 1046 C ILE 136 35.810 38.485 12.531 1.00 0.00 ATOM 1047 N ARG 137 36.483 39.521 13.005 1.00 0.00 ATOM 1048 CA ARG 137 37.284 39.395 14.231 1.00 0.00 ATOM 1049 CB ARG 137 38.296 40.545 14.348 1.00 0.00 ATOM 1050 CG ARG 137 37.732 41.955 14.344 1.00 0.00 ATOM 1051 CD ARG 137 38.846 42.981 14.044 1.00 0.00 ATOM 1052 NE ARG 137 40.029 42.735 14.876 1.00 0.00 ATOM 1053 CZ ARG 137 41.283 43.023 14.529 1.00 0.00 ATOM 1054 NH1 ARG 137 41.548 43.600 13.359 1.00 0.00 ATOM 1055 NH2 ARG 137 42.277 42.739 15.362 1.00 0.00 ATOM 1056 O ARG 137 36.977 38.697 16.488 1.00 0.00 ATOM 1057 C ARG 137 36.490 39.282 15.524 1.00 0.00 ATOM 1058 N SER 138 35.295 39.856 15.548 1.00 0.00 ATOM 1059 CA SER 138 34.534 39.965 16.811 1.00 0.00 ATOM 1060 CB SER 138 34.988 41.199 17.577 1.00 0.00 ATOM 1061 OG SER 138 34.694 42.388 16.855 1.00 0.00 ATOM 1062 O SER 138 32.633 40.408 15.439 1.00 0.00 ATOM 1063 C SER 138 33.041 40.065 16.540 1.00 0.00 ATOM 1064 N LEU 139 32.240 39.768 17.560 1.00 0.00 ATOM 1065 CA LEU 139 30.817 40.046 17.543 1.00 0.00 ATOM 1066 CB LEU 139 30.106 39.087 18.499 1.00 0.00 ATOM 1067 CG LEU 139 30.112 37.609 18.087 1.00 0.00 ATOM 1068 CD1 LEU 139 29.854 36.747 19.328 1.00 0.00 ATOM 1069 CD2 LEU 139 29.006 37.356 17.034 1.00 0.00 ATOM 1070 O LEU 139 31.395 42.152 18.550 1.00 0.00 ATOM 1071 C LEU 139 30.537 41.491 17.965 1.00 0.00 ATOM 1072 N ASN 140 29.340 41.974 17.665 1.00 0.00 ATOM 1073 CA ASN 140 28.855 43.203 18.245 1.00 0.00 ATOM 1074 CB ASN 140 27.484 43.541 17.657 1.00 0.00 ATOM 1075 CG ASN 140 26.755 44.597 18.441 1.00 0.00 ATOM 1076 ND2 ASN 140 26.941 45.859 18.062 1.00 0.00 ATOM 1077 OD1 ASN 140 26.003 44.279 19.371 1.00 0.00 ATOM 1078 O ASN 140 28.505 41.929 20.293 1.00 0.00 ATOM 1079 C ASN 140 28.779 43.041 19.777 1.00 0.00 ATOM 1080 N VAL 141 29.048 44.128 20.493 1.00 0.00 ATOM 1081 CA VAL 141 29.140 44.032 21.969 1.00 0.00 ATOM 1082 CB VAL 141 29.752 45.303 22.609 1.00 0.00 ATOM 1083 CG1 VAL 141 28.838 46.503 22.424 1.00 0.00 ATOM 1084 CG2 VAL 141 30.071 45.077 24.110 1.00 0.00 ATOM 1085 O VAL 141 27.778 42.891 23.607 1.00 0.00 ATOM 1086 C VAL 141 27.793 43.663 22.637 1.00 0.00 ATOM 1087 N HIS 142 26.678 44.190 22.128 1.00 0.00 ATOM 1088 CA HIS 142 25.341 43.852 22.696 1.00 0.00 ATOM 1089 CB HIS 142 24.248 44.768 22.114 1.00 0.00 ATOM 1090 CG HIS 142 22.838 44.253 22.250 1.00 0.00 ATOM 1091 CD2 HIS 142 21.741 44.471 21.484 1.00 0.00 ATOM 1092 ND1 HIS 142 22.418 43.444 23.293 1.00 0.00 ATOM 1093 CE1 HIS 142 21.131 43.171 23.151 1.00 0.00 ATOM 1094 NE2 HIS 142 20.691 43.800 22.075 1.00 0.00 ATOM 1095 O HIS 142 24.576 41.659 23.295 1.00 0.00 ATOM 1096 C HIS 142 25.039 42.376 22.418 1.00 0.00 ATOM 1097 N VAL 143 25.326 41.918 21.197 1.00 0.00 ATOM 1098 CA VAL 143 25.096 40.509 20.878 1.00 0.00 ATOM 1099 CB VAL 143 25.383 40.216 19.390 1.00 0.00 ATOM 1100 CG1 VAL 143 25.377 38.693 19.110 1.00 0.00 ATOM 1101 CG2 VAL 143 24.351 40.955 18.508 1.00 0.00 ATOM 1102 O VAL 143 25.465 38.607 22.299 1.00 0.00 ATOM 1103 C VAL 143 25.944 39.619 21.789 1.00 0.00 ATOM 1104 N SER 144 27.202 40.006 22.011 1.00 0.00 ATOM 1105 CA SER 144 28.105 39.269 22.921 1.00 0.00 ATOM 1106 CB SER 144 29.464 39.975 23.030 1.00 0.00 ATOM 1107 OG SER 144 30.115 39.980 21.770 1.00 0.00 ATOM 1108 O SER 144 27.408 38.098 24.910 1.00 0.00 ATOM 1109 C SER 144 27.468 39.175 24.318 1.00 0.00 ATOM 1110 N GLY 145 27.002 40.309 24.826 1.00 0.00 ATOM 1111 CA GLY 145 26.344 40.326 26.144 1.00 0.00 ATOM 1112 O GLY 145 24.901 38.681 27.099 1.00 0.00 ATOM 1113 C GLY 145 25.110 39.444 26.153 1.00 0.00 ATOM 1114 N ALA 146 24.302 39.521 25.091 1.00 0.00 ATOM 1115 CA ALA 146 23.090 38.682 25.009 1.00 0.00 ATOM 1116 CB ALA 146 22.308 38.946 23.716 1.00 0.00 ATOM 1117 O ALA 146 22.752 36.443 25.765 1.00 0.00 ATOM 1118 C ALA 146 23.446 37.217 25.103 1.00 0.00 ATOM 1119 N LEU 147 24.518 36.800 24.420 1.00 0.00 ATOM 1120 CA LEU 147 24.858 35.380 24.433 1.00 0.00 ATOM 1121 CB LEU 147 25.956 35.081 23.402 1.00 0.00 ATOM 1122 CG LEU 147 25.539 35.236 21.936 1.00 0.00 ATOM 1123 CD1 LEU 147 26.687 34.720 21.084 1.00 0.00 ATOM 1124 CD2 LEU 147 24.283 34.451 21.611 1.00 0.00 ATOM 1125 O LEU 147 24.930 33.792 26.241 1.00 0.00 ATOM 1126 C LEU 147 25.273 34.906 25.830 1.00 0.00 ATOM 1127 N LEU 148 26.017 35.736 26.561 1.00 0.00 ATOM 1128 CA LEU 148 26.395 35.339 27.935 1.00 0.00 ATOM 1129 CB LEU 148 27.564 36.163 28.479 1.00 0.00 ATOM 1130 CG LEU 148 28.910 35.536 28.097 1.00 0.00 ATOM 1131 CD1 LEU 148 29.242 35.862 26.627 1.00 0.00 ATOM 1132 CD2 LEU 148 30.054 35.917 29.001 1.00 0.00 ATOM 1133 O LEU 148 25.100 34.538 29.759 1.00 0.00 ATOM 1134 C LEU 148 25.212 35.389 28.887 1.00 0.00 ATOM 1135 N ILE 149 24.345 36.385 28.719 1.00 0.00 ATOM 1136 CA ILE 149 23.125 36.466 29.547 1.00 0.00 ATOM 1137 CB ILE 149 22.338 37.737 29.267 1.00 0.00 ATOM 1138 CG1 ILE 149 23.145 38.983 29.702 1.00 0.00 ATOM 1139 CG2 ILE 149 20.952 37.692 29.948 1.00 0.00 ATOM 1140 CD1 ILE 149 22.642 40.295 29.072 1.00 0.00 ATOM 1141 O ILE 149 21.780 34.604 30.277 1.00 0.00 ATOM 1142 C ILE 149 22.270 35.215 29.316 1.00 0.00 ATOM 1143 N TRP 150 22.126 34.818 28.051 1.00 0.00 ATOM 1144 CA TRP 150 21.400 33.595 27.716 1.00 0.00 ATOM 1145 CB TRP 150 21.278 33.405 26.186 1.00 0.00 ATOM 1146 CG TRP 150 21.022 31.971 25.802 1.00 0.00 ATOM 1147 CD1 TRP 150 21.907 31.099 25.255 1.00 0.00 ATOM 1148 CD2 TRP 150 19.813 31.235 26.008 1.00 0.00 ATOM 1149 CE2 TRP 150 20.044 29.918 25.561 1.00 0.00 ATOM 1150 CE3 TRP 150 18.566 31.559 26.550 1.00 0.00 ATOM 1151 NE1 TRP 150 21.328 29.854 25.104 1.00 0.00 ATOM 1152 CZ2 TRP 150 19.060 28.923 25.613 1.00 0.00 ATOM 1153 CZ3 TRP 150 17.576 30.557 26.593 1.00 0.00 ATOM 1154 CH2 TRP 150 17.847 29.271 26.140 1.00 0.00 ATOM 1155 O TRP 150 21.375 31.551 28.956 1.00 0.00 ATOM 1156 C TRP 150 22.057 32.363 28.330 1.00 0.00 ATOM 1157 N GLU 151 23.371 32.207 28.171 1.00 0.00 ATOM 1158 CA GLU 151 24.028 31.005 28.679 1.00 0.00 ATOM 1159 CB GLU 151 25.488 30.885 28.206 1.00 0.00 ATOM 1160 CG GLU 151 26.192 29.624 28.672 1.00 0.00 ATOM 1161 CD GLU 151 25.611 28.327 28.125 1.00 0.00 ATOM 1162 OE1 GLU 151 24.829 28.346 27.130 1.00 0.00 ATOM 1163 OE2 GLU 151 25.945 27.287 28.706 1.00 0.00 ATOM 1164 O GLU 151 23.652 29.852 30.740 1.00 0.00 ATOM 1165 C GLU 151 23.922 30.915 30.207 1.00 0.00 ATOM 1166 N TYR 152 24.076 32.052 30.877 1.00 0.00 ATOM 1167 CA TYR 152 23.875 32.156 32.330 1.00 0.00 ATOM 1168 CB TYR 152 24.086 33.596 32.805 1.00 0.00 ATOM 1169 CG TYR 152 23.708 33.800 34.250 1.00 0.00 ATOM 1170 CD1 TYR 152 24.655 33.621 35.269 1.00 0.00 ATOM 1171 CD2 TYR 152 22.408 34.178 34.594 1.00 0.00 ATOM 1172 CE1 TYR 152 24.299 33.802 36.621 1.00 0.00 ATOM 1173 CE2 TYR 152 22.036 34.351 35.929 1.00 0.00 ATOM 1174 CZ TYR 152 22.987 34.162 36.925 1.00 0.00 ATOM 1175 OH TYR 152 22.595 34.358 38.240 1.00 0.00 ATOM 1176 O TYR 152 22.277 30.822 33.543 1.00 0.00 ATOM 1177 C TYR 152 22.462 31.693 32.672 1.00 0.00 ATOM 1178 N THR 153 21.486 32.235 31.942 1.00 0.00 ATOM 1179 CA THR 153 20.072 31.931 32.189 1.00 0.00 ATOM 1180 CB THR 153 19.173 32.791 31.310 1.00 0.00 ATOM 1181 CG2 THR 153 17.693 32.447 31.552 1.00 0.00 ATOM 1182 OG1 THR 153 19.410 34.170 31.615 1.00 0.00 ATOM 1183 O THR 153 19.122 29.807 32.800 1.00 0.00 ATOM 1184 C THR 153 19.765 30.442 31.964 1.00 0.00 ATOM 1185 N ARG 154 20.238 29.888 30.849 1.00 0.00 ATOM 1186 CA ARG 154 20.051 28.466 30.525 1.00 0.00 ATOM 1187 CB ARG 154 20.731 28.151 29.185 1.00 0.00 ATOM 1188 CG ARG 154 20.443 26.757 28.631 1.00 0.00 ATOM 1189 CD ARG 154 21.380 26.416 27.470 1.00 0.00 ATOM 1190 NE ARG 154 22.759 26.197 27.905 1.00 0.00 ATOM 1191 CZ ARG 154 23.216 25.055 28.426 1.00 0.00 ATOM 1192 NH1 ARG 154 22.402 24.021 28.619 1.00 0.00 ATOM 1193 NH2 ARG 154 24.492 24.955 28.778 1.00 0.00 ATOM 1194 O ARG 154 20.013 26.566 32.004 1.00 0.00 ATOM 1195 C ARG 154 20.626 27.568 31.619 1.00 0.00 ATOM 1196 N GLN 155 21.807 27.929 32.108 1.00 0.00 ATOM 1197 CA GLN 155 22.477 27.136 33.125 1.00 0.00 ATOM 1198 CB GLN 155 23.920 27.591 33.300 1.00 0.00 ATOM 1199 CG GLN 155 24.788 27.198 32.126 1.00 0.00 ATOM 1200 CD GLN 155 26.252 27.530 32.352 1.00 0.00 ATOM 1201 OE1 GLN 155 26.689 27.680 33.492 1.00 0.00 ATOM 1202 NE2 GLN 155 27.013 27.645 31.265 1.00 0.00 ATOM 1203 O GLN 155 21.630 26.159 35.133 1.00 0.00 ATOM 1204 C GLN 155 21.737 27.176 34.452 1.00 0.00 ATOM 1205 N GLN 156 21.228 28.345 34.812 1.00 0.00 ATOM 1206 CA GLN 156 20.530 28.488 36.090 1.00 0.00 ATOM 1207 CB GLN 156 20.363 29.965 36.457 1.00 0.00 ATOM 1208 CG GLN 156 21.691 30.684 36.741 1.00 0.00 ATOM 1209 CD GLN 156 22.376 30.162 37.999 1.00 0.00 ATOM 1210 OE1 GLN 156 21.765 30.114 39.061 1.00 0.00 ATOM 1211 NE2 GLN 156 23.635 29.767 37.882 1.00 0.00 ATOM 1212 O GLN 156 18.717 27.232 37.053 1.00 0.00 ATOM 1213 C GLN 156 19.188 27.755 36.032 1.00 0.00 ATOM 1214 N LEU 157 18.586 27.706 34.842 1.00 0.00 ATOM 1215 CA LEU 157 17.275 27.067 34.657 1.00 0.00 ATOM 1216 CB LEU 157 16.630 27.488 33.326 1.00 0.00 ATOM 1217 CG LEU 157 15.753 28.743 33.233 1.00 0.00 ATOM 1218 CD1 LEU 157 16.275 29.959 34.022 1.00 0.00 ATOM 1219 CD2 LEU 157 15.537 29.123 31.777 1.00 0.00 ATOM 1220 O LEU 157 16.487 24.870 35.199 1.00 0.00 ATOM 1221 C LEU 157 17.409 25.556 34.743 1.00 0.00 ATOM 1222 N LEU 158 18.569 25.041 34.341 1.00 0.00 ATOM 1223 CA LEU 158 18.814 23.604 34.346 1.00 0.00 ATOM 1224 CB LEU 158 19.852 23.226 33.266 1.00 0.00 ATOM 1225 CG LEU 158 21.251 22.609 33.439 1.00 0.00 ATOM 1226 CD1 LEU 158 21.933 22.566 32.077 1.00 0.00 ATOM 1227 CD2 LEU 158 22.155 23.313 34.449 1.00 0.00 ATOM 1228 O LEU 158 19.220 21.910 36.016 1.00 0.00 ATOM 1229 C LEU 158 19.185 23.115 35.753 1.00 0.00 ATOM 1230 N SER 159 19.438 24.065 36.654 1.00 0.00 ATOM 1231 CA SER 159 19.673 23.765 38.065 1.00 0.00 ATOM 1232 CB SER 159 21.122 24.079 38.446 1.00 0.00 ATOM 1233 OG SER 159 21.416 25.452 38.252 1.00 0.00 ATOM 1234 O SER 159 17.499 24.290 38.966 1.00 0.00 ATOM 1235 C SER 159 18.711 24.542 38.959 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 T0332.undertaker-align.pdb looking for model 1 WARNING: atoms too close: (T0332)L52.C and (T0332)S53.C only 0.000 apart, marking (T0332)S53.C as missing WARNING: atoms too close: (T0332)S53.N and (T0332)V54.N only 0.000 apart, marking (T0332)S53.N as missing WARNING: atoms too close: (T0332)S53.CA and (T0332)V54.CA only 0.000 apart, marking (T0332)S53.CA as missing # WARNING: incomplete conformation T0332 can't currently be optimized by undertaker # command:# naming current conformation align1 # command:# fraction of real conformation used = 0.962 # GDT_score = -73.428 # GDT_score(maxd=8.000,maxw=2.900)= -75.616 # GDT_score(maxd=8.000,maxw=3.200)= -72.802 # GDT_score(maxd=8.000,maxw=3.500)= -69.974 # GDT_score(maxd=10.000,maxw=3.800)= -72.379 # GDT_score(maxd=10.000,maxw=4.000)= -70.452 # GDT_score(maxd=10.000,maxw=4.200)= -68.450 # GDT_score(maxd=12.000,maxw=4.300)= -71.687 # GDT_score(maxd=12.000,maxw=4.500)= -69.721 # GDT_score(maxd=12.000,maxw=4.700)= -67.719 # GDT_score(maxd=14.000,maxw=5.200)= -66.258 # GDT_score(maxd=14.000,maxw=5.500)= -63.378 # command:# ReadConformPDB reading from PDB file T0332.undertaker-align.pdb looking for model 2 WARNING: atoms too close: (T0332)E88.C and (T0332)Q89.C only 0.000 apart, marking (T0332)Q89.C as missing WARNING: atoms too close: (T0332)Q89.N and (T0332)T90.N only 0.000 apart, marking (T0332)Q89.N as missing WARNING: atoms too close: (T0332)Q89.CA and (T0332)T90.CA only 0.000 apart, marking (T0332)Q89.CA as missing # WARNING: incomplete conformation T0332 can't currently be optimized by undertaker # command:# naming current conformation align2 # command:# fraction of real conformation used = 0.962 # GDT_score = -75.786 # GDT_score(maxd=8.000,maxw=2.900)= -77.036 # GDT_score(maxd=8.000,maxw=3.200)= -74.668 # GDT_score(maxd=8.000,maxw=3.500)= -72.195 # GDT_score(maxd=10.000,maxw=3.800)= -74.269 # GDT_score(maxd=10.000,maxw=4.000)= -72.346 # GDT_score(maxd=10.000,maxw=4.200)= -70.323 # GDT_score(maxd=12.000,maxw=4.300)= -73.403 # GDT_score(maxd=12.000,maxw=4.500)= -71.435 # GDT_score(maxd=12.000,maxw=4.700)= -69.501 # GDT_score(maxd=14.000,maxw=5.200)= -68.098 # GDT_score(maxd=14.000,maxw=5.500)= -65.268 # command:# ReadConformPDB reading from PDB file T0332.undertaker-align.pdb looking for model 3 WARNING: atoms too close: (T0332)Q48.C and (T0332)S53.C only 0.000 apart, marking (T0332)S53.C as missing WARNING: atoms too close: (T0332)F49.N and (T0332)V54.N only 0.000 apart, marking (T0332)F49.N as missing WARNING: atoms too close: (T0332)F49.CA and (T0332)V54.CA only 0.000 apart, marking (T0332)F49.CA as missing # WARNING: incomplete conformation T0332 can't currently be optimized by undertaker # command:# naming current conformation align3 # command:# ReadConformPDB reading from PDB file T0332.undertaker-align.pdb looking for model 4 WARNING: atoms too close: (T0332)Q75.C and (T0332)K78.C only 0.000 apart, marking (T0332)K78.C as missing WARNING: atoms too close: (T0332)Q76.N and (T0332)T79.N only 0.000 apart, marking (T0332)Q76.N as missing WARNING: atoms too close: (T0332)Q76.CA and (T0332)T79.CA only 0.000 apart, marking (T0332)Q76.CA as missing WARNING: atoms too close: (T0332)E88.C and (T0332)Q89.C only 0.000 apart, marking (T0332)Q89.C as missing WARNING: atoms too close: (T0332)Q89.N and (T0332)T90.N only 0.000 apart, marking (T0332)Q89.N as missing WARNING: atoms too close: (T0332)Q89.CA and (T0332)T90.CA only 0.000 apart, marking (T0332)Q89.CA as missing # WARNING: incomplete conformation T0332 can't currently be optimized by undertaker # command:# naming current conformation align4 # command:# ReadConformPDB reading from PDB file T0332.undertaker-align.pdb looking for model 5 WARNING: atoms too close: (T0332)V11.C and (T0332)A12.C only 0.000 apart, marking (T0332)A12.C as missing WARNING: atoms too close: (T0332)A12.N and (T0332)S13.N only 0.000 apart, marking (T0332)A12.N as missing WARNING: atoms too close: (T0332)A12.CA and (T0332)S13.CA only 0.000 apart, marking (T0332)A12.CA as missing WARNING: atoms too close: (T0332)K66.C and (T0332)P68.C only 0.000 apart, marking (T0332)P68.C as missing WARNING: atoms too close: (T0332)P67.N and (T0332)Q69.N only 0.000 apart, marking (T0332)P67.N as missing WARNING: atoms too close: (T0332)P67.CA and (T0332)Q69.CA only 0.000 apart, marking (T0332)P67.CA as missing WARNING: atoms too close: (T0332)L70.C and (T0332)K78.C only 0.000 apart, marking (T0332)K78.C as missing WARNING: atoms too close: (T0332)I71.N and (T0332)T79.N only 0.000 apart, marking (T0332)I71.N as missing WARNING: atoms too close: (T0332)I71.CA and (T0332)T79.CA only 0.000 apart, marking (T0332)I71.CA as missing WARNING: atoms too close: (T0332)R113.C and (T0332)E114.C only 0.000 apart, marking (T0332)E114.C as missing WARNING: atoms too close: (T0332)E114.N and (T0332)G115.N only 0.000 apart, marking (T0332)E114.N as missing WARNING: atoms too close: (T0332)E114.CA and (T0332)G115.CA only 0.000 apart, marking (T0332)E114.CA as missing # WARNING: incomplete conformation T0332 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 60 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file ../model2.ts-submitted looking for model 1 # Found a chain break before 133 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file ../model3.ts-submitted looking for model 1 # Found a chain break before 133 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file ../model4.ts-submitted looking for model 1 # Found a chain break before 133 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file ../model5.ts-submitted looking for model 1 # WARNING: incomplete conformation T0332 can't currently be optimized by undertaker # ReadConformPDB reading from PDB file T0332.try1-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 140 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0332.try1-opt1.pdb.gz looking for model 1 # Found a chain break before 140 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0332.try1-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 44 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0332.try1-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 44 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0332.try1-opt2.pdb.gz looking for model 1 # Found a chain break before 140 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0332.try1-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 140 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0332.try2-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 133 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0332.try2-opt1.pdb.gz looking for model 1 # Found a chain break before 133 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0332.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 T0332.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 T0332.try2-opt2.pdb.gz looking for model 1 # Found a chain break before 133 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0332.try2-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 133 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0332.try3-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 133 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0332.try3-opt1.pdb.gz looking for model 1 # Found a chain break before 133 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0332.try3-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 43 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0332.try3-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 43 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0332.try3-opt2.pdb.gz looking for model 1 # Found a chain break before 133 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0332.try3-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 133 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0332.try4-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 133 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0332.try4-opt1.pdb.gz looking for model 1 # Found a chain break before 133 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0332.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 T0332.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 T0332.try4-opt2.pdb.gz looking for model 1 # Found a chain break before 133 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0332.try4-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 133 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file ../dimer/decoys/T0332.try1-opt1-scwrl.pdb.gz looking for chain 'A' model 1 # Found a chain break before 140 # copying to AlignedFragments data structure # naming current conformation dimer//try1-opt1-scwrl # ReadConformPDB reading from PDB file ../dimer/decoys/T0332.try1-opt1.pdb.gz looking for chain 'A' model 1 # Found a chain break before 140 # copying to AlignedFragments data structure # naming current conformation dimer//try1-opt1 # ReadConformPDB reading from PDB file ../dimer/decoys/T0332.try1-opt2.gromacs0.pdb.gz looking for chain 'A' model 1 # Found a chain break before 158 # copying to AlignedFragments data structure # naming current conformation dimer//try1-opt2.gromacs0 # ReadConformPDB reading from PDB file ../dimer/decoys/T0332.try1-opt2.pdb.gz looking for chain 'A' model 1 # Found a chain break before 140 # copying to AlignedFragments data structure # naming current conformation dimer//try1-opt2 # ReadConformPDB reading from PDB file ../dimer/decoys/T0332.try1-opt2.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 140 # copying to AlignedFragments data structure # naming current conformation dimer//try1-opt2.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0332.try1-opt2.unpack.gromacs0.pdb.gz looking for chain 'A' model 1 # Found a chain break before 44 # copying to AlignedFragments data structure # naming current conformation dimer//try1-opt2.unpack.gromacs0 # ReadConformPDB reading from PDB file ../dimer/decoys/T0332.try1-opt2.unpack.pdb.gz looking for chain 'A' model 1 # Found a chain break before 140 # copying to AlignedFragments data structure # naming current conformation dimer//try1-opt2.unpack # ReadConformPDB reading from PDB file ../dimer/decoys/T0332.try2-opt1-scwrl.pdb.gz looking for chain 'A' model 1 # Found a chain break before 140 # copying to AlignedFragments data structure # naming current conformation dimer//try2-opt1-scwrl # ReadConformPDB reading from PDB file ../dimer/decoys/T0332.try2-opt1.pdb.gz looking for chain 'A' model 1 # Found a chain break before 140 # copying to AlignedFragments data structure # naming current conformation dimer//try2-opt1 # ReadConformPDB reading from PDB file ../dimer/decoys/T0332.try2-opt2.gromacs0.pdb.gz looking for chain 'A' model 1 # Found a chain break before 155 # copying to AlignedFragments data structure # naming current conformation dimer//try2-opt2.gromacs0 # ReadConformPDB reading from PDB file ../dimer/decoys/T0332.try2-opt2.pdb.gz looking for chain 'A' model 1 # Found a chain break before 140 # copying to AlignedFragments data structure # naming current conformation dimer//try2-opt2 # ReadConformPDB reading from PDB file ../dimer/decoys/T0332.try2-opt2.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 140 # copying to AlignedFragments data structure # naming current conformation dimer//try2-opt2.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0332.try2-opt2.unpack.gromacs0.pdb.gz looking for chain 'A' model 1 # Found a chain break before 44 # copying to AlignedFragments data structure # naming current conformation dimer//try2-opt2.unpack.gromacs0 # ReadConformPDB reading from PDB file ../dimer/decoys/T0332.try2-opt2.unpack.pdb.gz looking for chain 'A' model 1 # Found a chain break before 140 # copying to AlignedFragments data structure # naming current conformation dimer//try2-opt2.unpack # ReadConformPDB reading from PDB file ../dimer/decoys/T0332.try3-opt1-scwrl.pdb.gz looking for chain 'A' model 1 # Found a chain break before 133 # copying to AlignedFragments data structure # naming current conformation dimer//try3-opt1-scwrl # ReadConformPDB reading from PDB file ../dimer/decoys/T0332.try3-opt1.pdb.gz looking for chain 'A' model 1 # Found a chain break before 133 # copying to AlignedFragments data structure # naming current conformation dimer//try3-opt1 # ReadConformPDB reading from PDB file ../dimer/decoys/T0332.try3-opt2.gromacs0.pdb.gz looking for chain 'A' model 1 # Found a chain break before 158 # copying to AlignedFragments data structure # naming current conformation dimer//try3-opt2.gromacs0 # ReadConformPDB reading from PDB file ../dimer/decoys/T0332.try3-opt2.pdb.gz looking for chain 'A' model 1 # Found a chain break before 133 # copying to AlignedFragments data structure # naming current conformation dimer//try3-opt2 # ReadConformPDB reading from PDB file ../dimer/decoys/T0332.try3-opt2.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 133 # copying to AlignedFragments data structure # naming current conformation dimer//try3-opt2.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0332.try3-opt2.unpack.gromacs0.pdb.gz looking for chain 'A' model 1 # Found a chain break before 60 # copying to AlignedFragments data structure # naming current conformation dimer//try3-opt2.unpack.gromacs0 # ReadConformPDB reading from PDB file ../dimer/decoys/T0332.try3-opt2.unpack.gromacs0.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 60 # copying to AlignedFragments data structure # naming current conformation dimer//try3-opt2.unpack.gromacs0.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0332.try3-opt2.unpack.gromacs0.repack-nonPC.unpack.pdb.gz looking for chain 'A' model 1 # Found a chain break before 60 # copying to AlignedFragments data structure # naming current conformation dimer//try3-opt2.unpack.gromacs0.repack-nonPC.unpack # ReadConformPDB reading from PDB file ../dimer/decoys/T0332.try3-opt2.unpack.pdb.gz looking for chain 'A' model 1 # Found a chain break before 133 # copying to AlignedFragments data structure # naming current conformation dimer//try3-opt2.unpack # ReadConformPDB reading from PDB file ../dimer/decoys/dimer-1v2xA-from-try1.pdb.gz looking for chain 'A' model 1 # Found a chain break before 140 # copying to AlignedFragments data structure # naming current conformation dimer//dimer-1v2xA-from-try1 # ReadConformPDB reading from PDB file ../dimer/decoys/dimer-1v2xA-from-try2.pdb.gz looking for chain 'A' model 1 # Found a chain break before 133 # copying to AlignedFragments data structure # naming current conformation dimer//dimer-1v2xA-from-try2 # ReadConformPDB reading from PDB file ../dimer/decoys/dimer-1v2xA-from-try3.pdb.gz looking for chain 'A' model 1 # Found a chain break before 43 # copying to AlignedFragments data structure # naming current conformation dimer//dimer-1v2xA-from-try3 # ReadConformPDB reading from PDB file servers/3D-JIGSAW_POPULUS_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0332 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_POPULUS_TS1 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_1905087094.pdb -s /var/tmp/to_scwrl_1905087094.seq -o /var/tmp/from_scwrl_1905087094.pdb > /var/tmp/scwrl_1905087094.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1905087094.pdb # conformation set from SCWRL output # naming current conformation 3D-JIGSAW_POPULUS_TS1-scwrl # ReadConformPDB reading from PDB file servers/3D-JIGSAW_POPULUS_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0332 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_POPULUS_TS2 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_1768991266.pdb -s /var/tmp/to_scwrl_1768991266.seq -o /var/tmp/from_scwrl_1768991266.pdb > /var/tmp/scwrl_1768991266.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1768991266.pdb # conformation set from SCWRL output # naming current conformation 3D-JIGSAW_POPULUS_TS2-scwrl # ReadConformPDB reading from PDB file servers/3D-JIGSAW_POPULUS_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0332 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_POPULUS_TS3 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_852701470.pdb -s /var/tmp/to_scwrl_852701470.seq -o /var/tmp/from_scwrl_852701470.pdb > /var/tmp/scwrl_852701470.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_852701470.pdb # conformation set from SCWRL output # naming current conformation 3D-JIGSAW_POPULUS_TS3-scwrl # ReadConformPDB reading from PDB file servers/3D-JIGSAW_POPULUS_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0332 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_POPULUS_TS4 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_175821407.pdb -s /var/tmp/to_scwrl_175821407.seq -o /var/tmp/from_scwrl_175821407.pdb > /var/tmp/scwrl_175821407.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_175821407.pdb # conformation set from SCWRL output # naming current conformation 3D-JIGSAW_POPULUS_TS4-scwrl # ReadConformPDB reading from PDB file servers/3D-JIGSAW_POPULUS_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0332 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_POPULUS_TS5 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_1297431301.pdb -s /var/tmp/to_scwrl_1297431301.seq -o /var/tmp/from_scwrl_1297431301.pdb > /var/tmp/scwrl_1297431301.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1297431301.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 T0332 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS1 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_352833131.pdb -s /var/tmp/to_scwrl_352833131.seq -o /var/tmp/from_scwrl_352833131.pdb > /var/tmp/scwrl_352833131.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_352833131.pdb # conformation set from SCWRL output # naming current conformation 3D-JIGSAW_RECOM_TS1-scwrl # ReadConformPDB reading from PDB file servers/3D-JIGSAW_RECOM_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0332 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS2 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_1038219000.pdb -s /var/tmp/to_scwrl_1038219000.seq -o /var/tmp/from_scwrl_1038219000.pdb > /var/tmp/scwrl_1038219000.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1038219000.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 T0332 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS3 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_1856013509.pdb -s /var/tmp/to_scwrl_1856013509.seq -o /var/tmp/from_scwrl_1856013509.pdb > /var/tmp/scwrl_1856013509.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1856013509.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 T0332 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS4 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_1646779054.pdb -s /var/tmp/to_scwrl_1646779054.seq -o /var/tmp/from_scwrl_1646779054.pdb > /var/tmp/scwrl_1646779054.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1646779054.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 T0332 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS5 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_1008924044.pdb -s /var/tmp/to_scwrl_1008924044.seq -o /var/tmp/from_scwrl_1008924044.pdb > /var/tmp/scwrl_1008924044.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1008924044.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 T0332 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation 3D-JIGSAW_TS1 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_764225099.pdb -s /var/tmp/to_scwrl_764225099.seq -o /var/tmp/from_scwrl_764225099.pdb > /var/tmp/scwrl_764225099.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_764225099.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 T0332 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_TS2 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_310919397.pdb -s /var/tmp/to_scwrl_310919397.seq -o /var/tmp/from_scwrl_310919397.pdb > /var/tmp/scwrl_310919397.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_310919397.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 T0332 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_TS3 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_1812116993.pdb -s /var/tmp/to_scwrl_1812116993.seq -o /var/tmp/from_scwrl_1812116993.pdb > /var/tmp/scwrl_1812116993.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1812116993.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 # Found a chain break before 125 # copying to AlignedFragments data structure # naming current conformation 3D-JIGSAW_TS4 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_47502703.pdb -s /var/tmp/to_scwrl_47502703.seq -o /var/tmp/from_scwrl_47502703.pdb > /var/tmp/scwrl_47502703.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_47502703.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 T0332 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_TS5 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_431943099.pdb -s /var/tmp/to_scwrl_431943099.seq -o /var/tmp/from_scwrl_431943099.pdb > /var/tmp/scwrl_431943099.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_431943099.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 66 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS1 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_395652971.pdb -s /var/tmp/to_scwrl_395652971.seq -o /var/tmp/from_scwrl_395652971.pdb > /var/tmp/scwrl_395652971.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_395652971.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 53 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS2 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_975786389.pdb -s /var/tmp/to_scwrl_975786389.seq -o /var/tmp/from_scwrl_975786389.pdb > /var/tmp/scwrl_975786389.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_975786389.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 88 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS3 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_1208198122.pdb -s /var/tmp/to_scwrl_1208198122.seq -o /var/tmp/from_scwrl_1208198122.pdb > /var/tmp/scwrl_1208198122.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1208198122.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 68 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS4 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_156616350.pdb -s /var/tmp/to_scwrl_156616350.seq -o /var/tmp/from_scwrl_156616350.pdb > /var/tmp/scwrl_156616350.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_156616350.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 67 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS5 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_1331017017.pdb -s /var/tmp/to_scwrl_1331017017.seq -o /var/tmp/from_scwrl_1331017017.pdb > /var/tmp/scwrl_1331017017.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1331017017.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 142 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS1 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_394384166.pdb -s /var/tmp/to_scwrl_394384166.seq -o /var/tmp/from_scwrl_394384166.pdb > /var/tmp/scwrl_394384166.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_394384166.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 125 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS2 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_1377049279.pdb -s /var/tmp/to_scwrl_1377049279.seq -o /var/tmp/from_scwrl_1377049279.pdb > /var/tmp/scwrl_1377049279.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1377049279.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 138 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS3 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_247519126.pdb -s /var/tmp/to_scwrl_247519126.seq -o /var/tmp/from_scwrl_247519126.pdb > /var/tmp/scwrl_247519126.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_247519126.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 156 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS4 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_404592504.pdb -s /var/tmp/to_scwrl_404592504.seq -o /var/tmp/from_scwrl_404592504.pdb > /var/tmp/scwrl_404592504.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_404592504.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 127 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS5 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_1507034118.pdb -s /var/tmp/to_scwrl_1507034118.seq -o /var/tmp/from_scwrl_1507034118.pdb > /var/tmp/scwrl_1507034118.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1507034118.pdb # conformation set from SCWRL output # naming current conformation ABIpro_TS5-scwrl # ReadConformPDB reading from PDB file servers/BayesHH_TS1.pdb.gz looking for model 1 # naming current conformation BayesHH_TS1 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_2050560262.pdb -s /var/tmp/to_scwrl_2050560262.seq -o /var/tmp/from_scwrl_2050560262.pdb > /var/tmp/scwrl_2050560262.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2050560262.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 144 ; scwrl3 -i /var/tmp/to_scwrl_1466409891.pdb -s /var/tmp/to_scwrl_1466409891.seq -o /var/tmp/from_scwrl_1466409891.pdb > /var/tmp/scwrl_1466409891.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1466409891.pdb # conformation set from SCWRL output # naming current conformation Bilab-ENABLE_TS1-scwrl # ReadConformPDB reading from PDB file servers/Bilab-ENABLE_TS2.pdb.gz looking for model 1 # naming current conformation Bilab-ENABLE_TS2 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_1393549567.pdb -s /var/tmp/to_scwrl_1393549567.seq -o /var/tmp/from_scwrl_1393549567.pdb > /var/tmp/scwrl_1393549567.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1393549567.pdb # conformation set from SCWRL output # naming current conformation Bilab-ENABLE_TS2-scwrl # ReadConformPDB reading from PDB file servers/Bilab-ENABLE_TS3.pdb.gz looking for model 1 # naming current conformation Bilab-ENABLE_TS3 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_2111275492.pdb -s /var/tmp/to_scwrl_2111275492.seq -o /var/tmp/from_scwrl_2111275492.pdb > /var/tmp/scwrl_2111275492.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2111275492.pdb # conformation set from SCWRL output # naming current conformation Bilab-ENABLE_TS3-scwrl # ReadConformPDB reading from PDB file servers/Bilab-ENABLE_TS4.pdb.gz looking for model 1 # naming current conformation Bilab-ENABLE_TS4 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_1023437606.pdb -s /var/tmp/to_scwrl_1023437606.seq -o /var/tmp/from_scwrl_1023437606.pdb > /var/tmp/scwrl_1023437606.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1023437606.pdb # conformation set from SCWRL output # naming current conformation Bilab-ENABLE_TS4-scwrl # ReadConformPDB reading from PDB file servers/Bilab-ENABLE_TS5.pdb.gz looking for model 1 # naming current conformation Bilab-ENABLE_TS5 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_1988880129.pdb -s /var/tmp/to_scwrl_1988880129.seq -o /var/tmp/from_scwrl_1988880129.pdb > /var/tmp/scwrl_1988880129.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1988880129.pdb # conformation set from SCWRL output # naming current conformation Bilab-ENABLE_TS5-scwrl # ReadConformPDB reading from PDB file servers/CIRCLE_TS1.pdb.gz looking for model 1 # Found a chain break before 158 # copying to AlignedFragments data structure # naming current conformation CIRCLE_TS1 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_1868878940.pdb -s /var/tmp/to_scwrl_1868878940.seq -o /var/tmp/from_scwrl_1868878940.pdb > /var/tmp/scwrl_1868878940.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1868878940.pdb # conformation set from SCWRL output # naming current conformation CIRCLE_TS1-scwrl # ReadConformPDB reading from PDB file servers/CIRCLE_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0332 can't currently be optimized by undertaker # naming current conformation CIRCLE_TS2 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_644945225.pdb -s /var/tmp/to_scwrl_644945225.seq -o /var/tmp/from_scwrl_644945225.pdb > /var/tmp/scwrl_644945225.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_644945225.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 T0332 can't currently be optimized by undertaker # naming current conformation CIRCLE_TS3 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_694097952.pdb -s /var/tmp/to_scwrl_694097952.seq -o /var/tmp/from_scwrl_694097952.pdb > /var/tmp/scwrl_694097952.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_694097952.pdb # conformation set from SCWRL output # naming current conformation CIRCLE_TS3-scwrl # ReadConformPDB reading from PDB file servers/CIRCLE_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0332 can't currently be optimized by undertaker # naming current conformation CIRCLE_TS4 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_2044700347.pdb -s /var/tmp/to_scwrl_2044700347.seq -o /var/tmp/from_scwrl_2044700347.pdb > /var/tmp/scwrl_2044700347.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2044700347.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 T0332 can't currently be optimized by undertaker # naming current conformation CIRCLE_TS5 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_1942376527.pdb -s /var/tmp/to_scwrl_1942376527.seq -o /var/tmp/from_scwrl_1942376527.pdb > /var/tmp/scwrl_1942376527.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1942376527.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 T0332 can't currently be optimized by undertaker # naming current conformation CPHmodels_TS1 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_1046931083.pdb -s /var/tmp/to_scwrl_1046931083.seq -o /var/tmp/from_scwrl_1046931083.pdb > /var/tmp/scwrl_1046931083.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1046931083.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 # Found a chain break before 68 # copying to AlignedFragments data structure # naming current conformation CaspIta-FOX_TS1 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_935435701.pdb -s /var/tmp/to_scwrl_935435701.seq -o /var/tmp/from_scwrl_935435701.pdb > /var/tmp/scwrl_935435701.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_935435701.pdb # conformation set from SCWRL output # naming current conformation CaspIta-FOX_TS1-scwrl # ReadConformPDB reading from PDB file servers/CaspIta-FOX_TS2.pdb.gz looking for model 1 # Found a chain break before 68 # copying to AlignedFragments data structure # naming current conformation CaspIta-FOX_TS2 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_1650906389.pdb -s /var/tmp/to_scwrl_1650906389.seq -o /var/tmp/from_scwrl_1650906389.pdb > /var/tmp/scwrl_1650906389.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1650906389.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 T0332 can't currently be optimized by undertaker # naming current conformation CaspIta-FOX_TS3 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_546226490.pdb -s /var/tmp/to_scwrl_546226490.seq -o /var/tmp/from_scwrl_546226490.pdb > /var/tmp/scwrl_546226490.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_546226490.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 T0332 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation CaspIta-FOX_TS4 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_1944359744.pdb -s /var/tmp/to_scwrl_1944359744.seq -o /var/tmp/from_scwrl_1944359744.pdb > /var/tmp/scwrl_1944359744.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1944359744.pdb # conformation set from SCWRL output # naming current conformation CaspIta-FOX_TS4-scwrl # ReadConformPDB reading from PDB file servers/CaspIta-FOX_TS5.pdb.gz looking for model 1 # Found a chain break before 133 # copying to AlignedFragments data structure # naming current conformation CaspIta-FOX_TS5 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_267647841.pdb -s /var/tmp/to_scwrl_267647841.seq -o /var/tmp/from_scwrl_267647841.pdb > /var/tmp/scwrl_267647841.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_267647841.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 T0332 can't currently be optimized by undertaker # naming current conformation Distill_TS1 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_857145888.pdb -s /var/tmp/to_scwrl_857145888.seq -o /var/tmp/from_scwrl_857145888.pdb > /var/tmp/scwrl_857145888.log Error: Couldn't open file /var/tmp/from_scwrl_857145888.pdb or /var/tmp/from_scwrl_857145888.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_857145888_b.pdb or decoys//var/tmp/from_scwrl_857145888_b.pdb.gz for input Trying /var/tmp/from_scwrl_857145888_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_857145888_b.pdb or /var/tmp/from_scwrl_857145888_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_857145888_a.pdb or decoys//var/tmp/from_scwrl_857145888_a.pdb.gz for input Trying /var/tmp/from_scwrl_857145888_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_857145888_a.pdb or /var/tmp/from_scwrl_857145888_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_857145888.pdb or /var/tmp/from_scwrl_857145888_b.pdb or /var/tmp/from_scwrl_857145888_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 T0332 can't currently be optimized by undertaker # naming current conformation Distill_TS2 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_1608993090.pdb -s /var/tmp/to_scwrl_1608993090.seq -o /var/tmp/from_scwrl_1608993090.pdb > /var/tmp/scwrl_1608993090.log Error: Couldn't open file /var/tmp/from_scwrl_1608993090.pdb or /var/tmp/from_scwrl_1608993090.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1608993090_b.pdb or decoys//var/tmp/from_scwrl_1608993090_b.pdb.gz for input Trying /var/tmp/from_scwrl_1608993090_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1608993090_b.pdb or /var/tmp/from_scwrl_1608993090_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1608993090_a.pdb or decoys//var/tmp/from_scwrl_1608993090_a.pdb.gz for input Trying /var/tmp/from_scwrl_1608993090_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1608993090_a.pdb or /var/tmp/from_scwrl_1608993090_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1608993090.pdb or /var/tmp/from_scwrl_1608993090_b.pdb or /var/tmp/from_scwrl_1608993090_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 T0332 can't currently be optimized by undertaker # naming current conformation Distill_TS3 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_315150544.pdb -s /var/tmp/to_scwrl_315150544.seq -o /var/tmp/from_scwrl_315150544.pdb > /var/tmp/scwrl_315150544.log Error: Couldn't open file /var/tmp/from_scwrl_315150544.pdb or /var/tmp/from_scwrl_315150544.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_315150544_b.pdb or decoys//var/tmp/from_scwrl_315150544_b.pdb.gz for input Trying /var/tmp/from_scwrl_315150544_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_315150544_b.pdb or /var/tmp/from_scwrl_315150544_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_315150544_a.pdb or decoys//var/tmp/from_scwrl_315150544_a.pdb.gz for input Trying /var/tmp/from_scwrl_315150544_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_315150544_a.pdb or /var/tmp/from_scwrl_315150544_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_315150544.pdb or /var/tmp/from_scwrl_315150544_b.pdb or /var/tmp/from_scwrl_315150544_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 T0332 can't currently be optimized by undertaker # naming current conformation Distill_TS4 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_1289088986.pdb -s /var/tmp/to_scwrl_1289088986.seq -o /var/tmp/from_scwrl_1289088986.pdb > /var/tmp/scwrl_1289088986.log Error: Couldn't open file /var/tmp/from_scwrl_1289088986.pdb or /var/tmp/from_scwrl_1289088986.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1289088986_b.pdb or decoys//var/tmp/from_scwrl_1289088986_b.pdb.gz for input Trying /var/tmp/from_scwrl_1289088986_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1289088986_b.pdb or /var/tmp/from_scwrl_1289088986_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1289088986_a.pdb or decoys//var/tmp/from_scwrl_1289088986_a.pdb.gz for input Trying /var/tmp/from_scwrl_1289088986_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1289088986_a.pdb or /var/tmp/from_scwrl_1289088986_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1289088986.pdb or /var/tmp/from_scwrl_1289088986_b.pdb or /var/tmp/from_scwrl_1289088986_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 T0332 can't currently be optimized by undertaker # naming current conformation Distill_TS5 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_2004646062.pdb -s /var/tmp/to_scwrl_2004646062.seq -o /var/tmp/from_scwrl_2004646062.pdb > /var/tmp/scwrl_2004646062.log Error: Couldn't open file /var/tmp/from_scwrl_2004646062.pdb or /var/tmp/from_scwrl_2004646062.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2004646062_b.pdb or decoys//var/tmp/from_scwrl_2004646062_b.pdb.gz for input Trying /var/tmp/from_scwrl_2004646062_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_2004646062_b.pdb or /var/tmp/from_scwrl_2004646062_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2004646062_a.pdb or decoys//var/tmp/from_scwrl_2004646062_a.pdb.gz for input Trying /var/tmp/from_scwrl_2004646062_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_2004646062_a.pdb or /var/tmp/from_scwrl_2004646062_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_2004646062.pdb or /var/tmp/from_scwrl_2004646062_b.pdb or /var/tmp/from_scwrl_2004646062_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 122 # copying to AlignedFragments data structure # naming current conformation FAMSD_TS1 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_1290936932.pdb -s /var/tmp/to_scwrl_1290936932.seq -o /var/tmp/from_scwrl_1290936932.pdb > /var/tmp/scwrl_1290936932.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1290936932.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 T0332 can't currently be optimized by undertaker # naming current conformation FAMSD_TS2 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_349803462.pdb -s /var/tmp/to_scwrl_349803462.seq -o /var/tmp/from_scwrl_349803462.pdb > /var/tmp/scwrl_349803462.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_349803462.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 T0332 can't currently be optimized by undertaker # naming current conformation FAMSD_TS3 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_13778765.pdb -s /var/tmp/to_scwrl_13778765.seq -o /var/tmp/from_scwrl_13778765.pdb > /var/tmp/scwrl_13778765.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_13778765.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 T0332 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FAMSD_TS4 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_474470303.pdb -s /var/tmp/to_scwrl_474470303.seq -o /var/tmp/from_scwrl_474470303.pdb > /var/tmp/scwrl_474470303.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_474470303.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 T0332 can't currently be optimized by undertaker # naming current conformation FAMSD_TS5 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_744187629.pdb -s /var/tmp/to_scwrl_744187629.seq -o /var/tmp/from_scwrl_744187629.pdb > /var/tmp/scwrl_744187629.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_744187629.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 151 # copying to AlignedFragments data structure # naming current conformation FAMS_TS1 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_1390828044.pdb -s /var/tmp/to_scwrl_1390828044.seq -o /var/tmp/from_scwrl_1390828044.pdb > /var/tmp/scwrl_1390828044.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1390828044.pdb # conformation set from SCWRL output # naming current conformation FAMS_TS1-scwrl # ReadConformPDB reading from PDB file servers/FAMS_TS2.pdb.gz looking for model 1 # Found a chain break before 122 # copying to AlignedFragments data structure # naming current conformation FAMS_TS2 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_721989430.pdb -s /var/tmp/to_scwrl_721989430.seq -o /var/tmp/from_scwrl_721989430.pdb > /var/tmp/scwrl_721989430.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_721989430.pdb # conformation set from SCWRL output # naming current conformation FAMS_TS2-scwrl # ReadConformPDB reading from PDB file servers/FAMS_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0332 can't currently be optimized by undertaker # naming current conformation FAMS_TS3 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_1148780132.pdb -s /var/tmp/to_scwrl_1148780132.seq -o /var/tmp/from_scwrl_1148780132.pdb > /var/tmp/scwrl_1148780132.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1148780132.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 158 # copying to AlignedFragments data structure # naming current conformation FAMS_TS4 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_750378516.pdb -s /var/tmp/to_scwrl_750378516.seq -o /var/tmp/from_scwrl_750378516.pdb > /var/tmp/scwrl_750378516.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_750378516.pdb # conformation set from SCWRL output # naming current conformation FAMS_TS4-scwrl # ReadConformPDB reading from PDB file servers/FAMS_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0332 can't currently be optimized by undertaker # naming current conformation FAMS_TS5 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_625066045.pdb -s /var/tmp/to_scwrl_625066045.seq -o /var/tmp/from_scwrl_625066045.pdb > /var/tmp/scwrl_625066045.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_625066045.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 123 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS1 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_467706377.pdb -s /var/tmp/to_scwrl_467706377.seq -o /var/tmp/from_scwrl_467706377.pdb > /var/tmp/scwrl_467706377.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_467706377.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 144 ; scwrl3 -i /var/tmp/to_scwrl_2143928084.pdb -s /var/tmp/to_scwrl_2143928084.seq -o /var/tmp/from_scwrl_2143928084.pdb > /var/tmp/scwrl_2143928084.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2143928084.pdb # conformation set from SCWRL output # naming current conformation FOLDpro_TS2-scwrl # ReadConformPDB reading from PDB file servers/FOLDpro_TS3.pdb.gz looking for model 1 # Found a chain break before 109 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS3 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_588857890.pdb -s /var/tmp/to_scwrl_588857890.seq -o /var/tmp/from_scwrl_588857890.pdb > /var/tmp/scwrl_588857890.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_588857890.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 81 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS4 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_1491143982.pdb -s /var/tmp/to_scwrl_1491143982.seq -o /var/tmp/from_scwrl_1491143982.pdb > /var/tmp/scwrl_1491143982.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1491143982.pdb # conformation set from SCWRL output # naming current conformation FOLDpro_TS4-scwrl # ReadConformPDB reading from PDB file servers/FOLDpro_TS5.pdb.gz looking for model 1 # Found a chain break before 67 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS5 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_1985324566.pdb -s /var/tmp/to_scwrl_1985324566.seq -o /var/tmp/from_scwrl_1985324566.pdb > /var/tmp/scwrl_1985324566.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1985324566.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 T0332 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FORTE1_AL1 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_310253183.pdb -s /var/tmp/to_scwrl_310253183.seq -o /var/tmp/from_scwrl_310253183.pdb > /var/tmp/scwrl_310253183.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_310253183.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 T0332 can't currently be optimized by undertaker # naming current conformation FORTE1_AL2 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_2136089208.pdb -s /var/tmp/to_scwrl_2136089208.seq -o /var/tmp/from_scwrl_2136089208.pdb > /var/tmp/scwrl_2136089208.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2136089208.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 T0332 can't currently be optimized by undertaker # naming current conformation FORTE1_AL3 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_531938871.pdb -s /var/tmp/to_scwrl_531938871.seq -o /var/tmp/from_scwrl_531938871.pdb > /var/tmp/scwrl_531938871.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_531938871.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 T0332 can't currently be optimized by undertaker # naming current conformation FORTE1_AL4 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_207469884.pdb -s /var/tmp/to_scwrl_207469884.seq -o /var/tmp/from_scwrl_207469884.pdb > /var/tmp/scwrl_207469884.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_207469884.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 T0332 can't currently be optimized by undertaker # naming current conformation FORTE1_AL5 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_1930982088.pdb -s /var/tmp/to_scwrl_1930982088.seq -o /var/tmp/from_scwrl_1930982088.pdb > /var/tmp/scwrl_1930982088.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1930982088.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 T0332 can't currently be optimized by undertaker # naming current conformation FORTE2_AL1 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_1578869953.pdb -s /var/tmp/to_scwrl_1578869953.seq -o /var/tmp/from_scwrl_1578869953.pdb > /var/tmp/scwrl_1578869953.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1578869953.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 T0332 can't currently be optimized by undertaker # naming current conformation FORTE2_AL2 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_1142905584.pdb -s /var/tmp/to_scwrl_1142905584.seq -o /var/tmp/from_scwrl_1142905584.pdb > /var/tmp/scwrl_1142905584.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1142905584.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 T0332 can't currently be optimized by undertaker # naming current conformation FORTE2_AL3 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_1434404830.pdb -s /var/tmp/to_scwrl_1434404830.seq -o /var/tmp/from_scwrl_1434404830.pdb > /var/tmp/scwrl_1434404830.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1434404830.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 T0332 can't currently be optimized by undertaker # naming current conformation FORTE2_AL4 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_2125096444.pdb -s /var/tmp/to_scwrl_2125096444.seq -o /var/tmp/from_scwrl_2125096444.pdb > /var/tmp/scwrl_2125096444.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2125096444.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 T0332 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FORTE2_AL5 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_939781682.pdb -s /var/tmp/to_scwrl_939781682.seq -o /var/tmp/from_scwrl_939781682.pdb > /var/tmp/scwrl_939781682.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_939781682.pdb # conformation set from SCWRL output # naming current conformation FORTE2_AL5-scwrl # ReadConformPDB reading from PDB file servers/FPSOLVER-SERVER_TS1.pdb.gz looking for model 1 # Found a chain break before 81 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS1 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_1702052672.pdb -s /var/tmp/to_scwrl_1702052672.seq -o /var/tmp/from_scwrl_1702052672.pdb > /var/tmp/scwrl_1702052672.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1702052672.pdb # conformation set from SCWRL output # naming current conformation FPSOLVER-SERVER_TS1-scwrl # ReadConformPDB reading from PDB file servers/FPSOLVER-SERVER_TS2.pdb.gz looking for model 1 # Found a chain break before 149 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS2 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_834758685.pdb -s /var/tmp/to_scwrl_834758685.seq -o /var/tmp/from_scwrl_834758685.pdb > /var/tmp/scwrl_834758685.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_834758685.pdb # conformation set from SCWRL output # naming current conformation FPSOLVER-SERVER_TS2-scwrl # ReadConformPDB reading from PDB file servers/FPSOLVER-SERVER_TS3.pdb.gz looking for model 1 # Found a chain break before 138 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS3 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_401291126.pdb -s /var/tmp/to_scwrl_401291126.seq -o /var/tmp/from_scwrl_401291126.pdb > /var/tmp/scwrl_401291126.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_401291126.pdb # conformation set from SCWRL output # naming current conformation FPSOLVER-SERVER_TS3-scwrl # ReadConformPDB reading from PDB file servers/FPSOLVER-SERVER_TS4.pdb.gz looking for model 1 # Found a chain break before 158 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS4 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_2017203216.pdb -s /var/tmp/to_scwrl_2017203216.seq -o /var/tmp/from_scwrl_2017203216.pdb > /var/tmp/scwrl_2017203216.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2017203216.pdb # conformation set from SCWRL output # naming current conformation FPSOLVER-SERVER_TS4-scwrl # ReadConformPDB reading from PDB file servers/FPSOLVER-SERVER_TS5.pdb.gz looking for model 1 # Found a chain break before 68 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS5 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_2123847671.pdb -s /var/tmp/to_scwrl_2123847671.seq -o /var/tmp/from_scwrl_2123847671.pdb > /var/tmp/scwrl_2123847671.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2123847671.pdb # conformation set from SCWRL output # naming current conformation FPSOLVER-SERVER_TS5-scwrl # ReadConformPDB reading from PDB file servers/FUGMOD_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0332 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FUGMOD_TS1 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_258453541.pdb -s /var/tmp/to_scwrl_258453541.seq -o /var/tmp/from_scwrl_258453541.pdb > /var/tmp/scwrl_258453541.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_258453541.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 T0332 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FUGMOD_TS2 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_1160656502.pdb -s /var/tmp/to_scwrl_1160656502.seq -o /var/tmp/from_scwrl_1160656502.pdb > /var/tmp/scwrl_1160656502.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1160656502.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 T0332 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FUGMOD_TS3 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_326167487.pdb -s /var/tmp/to_scwrl_326167487.seq -o /var/tmp/from_scwrl_326167487.pdb > /var/tmp/scwrl_326167487.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_326167487.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 133 # copying to AlignedFragments data structure # naming current conformation FUGMOD_TS4 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_272232306.pdb -s /var/tmp/to_scwrl_272232306.seq -o /var/tmp/from_scwrl_272232306.pdb > /var/tmp/scwrl_272232306.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_272232306.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 # WARNING: incomplete conformation T0332 can't currently be optimized by undertaker # naming current conformation FUGMOD_TS5 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_1635126805.pdb -s /var/tmp/to_scwrl_1635126805.seq -o /var/tmp/from_scwrl_1635126805.pdb > /var/tmp/scwrl_1635126805.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1635126805.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 T0332 can't currently be optimized by undertaker # naming current conformation FUGUE_AL1 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_1070355116.pdb -s /var/tmp/to_scwrl_1070355116.seq -o /var/tmp/from_scwrl_1070355116.pdb > /var/tmp/scwrl_1070355116.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1070355116.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 T0332 can't currently be optimized by undertaker # naming current conformation FUGUE_AL2 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_1663060351.pdb -s /var/tmp/to_scwrl_1663060351.seq -o /var/tmp/from_scwrl_1663060351.pdb > /var/tmp/scwrl_1663060351.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1663060351.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 T0332 can't currently be optimized by undertaker # naming current conformation FUGUE_AL3 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_209632588.pdb -s /var/tmp/to_scwrl_209632588.seq -o /var/tmp/from_scwrl_209632588.pdb > /var/tmp/scwrl_209632588.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_209632588.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 T0332 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FUGUE_AL4 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_71651601.pdb -s /var/tmp/to_scwrl_71651601.seq -o /var/tmp/from_scwrl_71651601.pdb > /var/tmp/scwrl_71651601.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_71651601.pdb # conformation set from SCWRL output # naming current conformation FUGUE_AL4-scwrl # ReadConformPDB reading from PDB file servers/FUGUE_AL5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0332 can't currently be optimized by undertaker # naming current conformation FUGUE_AL5 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_265955220.pdb -s /var/tmp/to_scwrl_265955220.seq -o /var/tmp/from_scwrl_265955220.pdb > /var/tmp/scwrl_265955220.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_265955220.pdb # conformation set from SCWRL output # naming current conformation FUGUE_AL5-scwrl # ReadConformPDB reading from PDB file servers/FUNCTION_TS1.pdb.gz looking for model 1 # Found a chain break before 130 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS1 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_834698633.pdb -s /var/tmp/to_scwrl_834698633.seq -o /var/tmp/from_scwrl_834698633.pdb > /var/tmp/scwrl_834698633.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_834698633.pdb # conformation set from SCWRL output # naming current conformation FUNCTION_TS1-scwrl # ReadConformPDB reading from PDB file servers/FUNCTION_TS2.pdb.gz looking for model 1 # Found a chain break before 131 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS2 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_539357978.pdb -s /var/tmp/to_scwrl_539357978.seq -o /var/tmp/from_scwrl_539357978.pdb > /var/tmp/scwrl_539357978.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_539357978.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 158 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS3 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_262399657.pdb -s /var/tmp/to_scwrl_262399657.seq -o /var/tmp/from_scwrl_262399657.pdb > /var/tmp/scwrl_262399657.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_262399657.pdb # conformation set from SCWRL output # naming current conformation FUNCTION_TS3-scwrl # ReadConformPDB reading from PDB file servers/FUNCTION_TS4.pdb.gz looking for model 1 # Found a chain break before 155 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS4 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_1423556523.pdb -s /var/tmp/to_scwrl_1423556523.seq -o /var/tmp/from_scwrl_1423556523.pdb > /var/tmp/scwrl_1423556523.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1423556523.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 141 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS5 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_2030501961.pdb -s /var/tmp/to_scwrl_2030501961.seq -o /var/tmp/from_scwrl_2030501961.pdb > /var/tmp/scwrl_2030501961.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2030501961.pdb # conformation set from SCWRL output # naming current conformation FUNCTION_TS5-scwrl # ReadConformPDB reading from PDB file servers/HHpred1_TS1.pdb.gz looking for model 1 # Found a chain break before 66 # copying to AlignedFragments data structure # naming current conformation HHpred1_TS1 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_100240576.pdb -s /var/tmp/to_scwrl_100240576.seq -o /var/tmp/from_scwrl_100240576.pdb > /var/tmp/scwrl_100240576.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_100240576.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 144 ; scwrl3 -i /var/tmp/to_scwrl_1733809706.pdb -s /var/tmp/to_scwrl_1733809706.seq -o /var/tmp/from_scwrl_1733809706.pdb > /var/tmp/scwrl_1733809706.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1733809706.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 144 ; scwrl3 -i /var/tmp/to_scwrl_2019107522.pdb -s /var/tmp/to_scwrl_2019107522.seq -o /var/tmp/from_scwrl_2019107522.pdb > /var/tmp/scwrl_2019107522.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2019107522.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 T0332 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS1 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_632179447.pdb -s /var/tmp/to_scwrl_632179447.seq -o /var/tmp/from_scwrl_632179447.pdb > /var/tmp/scwrl_632179447.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_632179447.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 T0332 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation Huber-Torda-Server_TS2 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_1941279590.pdb -s /var/tmp/to_scwrl_1941279590.seq -o /var/tmp/from_scwrl_1941279590.pdb > /var/tmp/scwrl_1941279590.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1941279590.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 T0332 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS3 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_1802605963.pdb -s /var/tmp/to_scwrl_1802605963.seq -o /var/tmp/from_scwrl_1802605963.pdb > /var/tmp/scwrl_1802605963.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1802605963.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 T0332 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS4 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_63565754.pdb -s /var/tmp/to_scwrl_63565754.seq -o /var/tmp/from_scwrl_63565754.pdb > /var/tmp/scwrl_63565754.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_63565754.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 T0332 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS5 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_936701528.pdb -s /var/tmp/to_scwrl_936701528.seq -o /var/tmp/from_scwrl_936701528.pdb > /var/tmp/scwrl_936701528.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_936701528.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 T0332 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation LOOPP_TS1 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_1089527146.pdb -s /var/tmp/to_scwrl_1089527146.seq -o /var/tmp/from_scwrl_1089527146.pdb > /var/tmp/scwrl_1089527146.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1089527146.pdb # conformation set from SCWRL output # naming current conformation LOOPP_TS1-scwrl # ReadConformPDB reading from PDB file servers/LOOPP_TS2.pdb.gz looking for model 1 # naming current conformation LOOPP_TS2 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_41178551.pdb -s /var/tmp/to_scwrl_41178551.seq -o /var/tmp/from_scwrl_41178551.pdb > /var/tmp/scwrl_41178551.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_41178551.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 T0332 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation LOOPP_TS3 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_1876483210.pdb -s /var/tmp/to_scwrl_1876483210.seq -o /var/tmp/from_scwrl_1876483210.pdb > /var/tmp/scwrl_1876483210.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1876483210.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 T0332 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation LOOPP_TS4 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_644096172.pdb -s /var/tmp/to_scwrl_644096172.seq -o /var/tmp/from_scwrl_644096172.pdb > /var/tmp/scwrl_644096172.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_644096172.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 T0332 can't currently be optimized by undertaker # naming current conformation LOOPP_TS5 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_875937236.pdb -s /var/tmp/to_scwrl_875937236.seq -o /var/tmp/from_scwrl_875937236.pdb > /var/tmp/scwrl_875937236.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_875937236.pdb # conformation set from SCWRL output # naming current conformation LOOPP_TS5-scwrl # ReadConformPDB reading from PDB file servers/Ma-OPUS-server2_TS1.pdb.gz looking for model 1 # Found a chain break before 40 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server2_TS1 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_130290689.pdb -s /var/tmp/to_scwrl_130290689.seq -o /var/tmp/from_scwrl_130290689.pdb > /var/tmp/scwrl_130290689.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_130290689.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 41 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server2_TS2 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_513815742.pdb -s /var/tmp/to_scwrl_513815742.seq -o /var/tmp/from_scwrl_513815742.pdb > /var/tmp/scwrl_513815742.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_513815742.pdb # conformation set from SCWRL output # naming current conformation Ma-OPUS-server2_TS2-scwrl # ReadConformPDB reading from PDB file servers/Ma-OPUS-server2_TS3.pdb.gz looking for model 1 # naming current conformation Ma-OPUS-server2_TS3 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_852301260.pdb -s /var/tmp/to_scwrl_852301260.seq -o /var/tmp/from_scwrl_852301260.pdb > /var/tmp/scwrl_852301260.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_852301260.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 43 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server2_TS4 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_388744230.pdb -s /var/tmp/to_scwrl_388744230.seq -o /var/tmp/from_scwrl_388744230.pdb > /var/tmp/scwrl_388744230.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_388744230.pdb # conformation set from SCWRL output # naming current conformation Ma-OPUS-server2_TS4-scwrl # ReadConformPDB reading from PDB file servers/Ma-OPUS-server2_TS5.pdb.gz looking for model 1 # Found a chain break before 39 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server2_TS5 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_1674472244.pdb -s /var/tmp/to_scwrl_1674472244.seq -o /var/tmp/from_scwrl_1674472244.pdb > /var/tmp/scwrl_1674472244.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1674472244.pdb # conformation set from SCWRL output # naming current conformation Ma-OPUS-server2_TS5-scwrl # ReadConformPDB reading from PDB file servers/Ma-OPUS-server_TS1.pdb.gz looking for model 1 # naming current conformation Ma-OPUS-server_TS1 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_1178468746.pdb -s /var/tmp/to_scwrl_1178468746.seq -o /var/tmp/from_scwrl_1178468746.pdb > /var/tmp/scwrl_1178468746.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1178468746.pdb # conformation set from SCWRL output # naming current conformation Ma-OPUS-server_TS1-scwrl # ReadConformPDB reading from PDB file servers/Ma-OPUS-server_TS2.pdb.gz looking for model 1 # Found a chain break before 51 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS2 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_660976536.pdb -s /var/tmp/to_scwrl_660976536.seq -o /var/tmp/from_scwrl_660976536.pdb > /var/tmp/scwrl_660976536.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_660976536.pdb # conformation set from SCWRL output # naming current conformation Ma-OPUS-server_TS2-scwrl # ReadConformPDB reading from PDB file servers/Ma-OPUS-server_TS3.pdb.gz looking for model 1 # naming current conformation Ma-OPUS-server_TS3 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_1162115402.pdb -s /var/tmp/to_scwrl_1162115402.seq -o /var/tmp/from_scwrl_1162115402.pdb > /var/tmp/scwrl_1162115402.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1162115402.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 43 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS4 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_101340215.pdb -s /var/tmp/to_scwrl_101340215.seq -o /var/tmp/from_scwrl_101340215.pdb > /var/tmp/scwrl_101340215.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_101340215.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 39 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS5 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_176553240.pdb -s /var/tmp/to_scwrl_176553240.seq -o /var/tmp/from_scwrl_176553240.pdb > /var/tmp/scwrl_176553240.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_176553240.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 138 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS1 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_1371747991.pdb -s /var/tmp/to_scwrl_1371747991.seq -o /var/tmp/from_scwrl_1371747991.pdb > /var/tmp/scwrl_1371747991.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1371747991.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 149 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS2 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_172991816.pdb -s /var/tmp/to_scwrl_172991816.seq -o /var/tmp/from_scwrl_172991816.pdb > /var/tmp/scwrl_172991816.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_172991816.pdb # conformation set from SCWRL output # naming current conformation MetaTasser_TS2-scwrl # ReadConformPDB reading from PDB file servers/NN_PUT_lab_TS1.pdb.gz looking for model 1 # naming current conformation NN_PUT_lab_TS1 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_442508461.pdb -s /var/tmp/to_scwrl_442508461.seq -o /var/tmp/from_scwrl_442508461.pdb > /var/tmp/scwrl_442508461.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_442508461.pdb # conformation set from SCWRL output # naming current conformation NN_PUT_lab_TS1-scwrl # ReadConformPDB reading from PDB file servers/PROTINFO-AB_TS1.pdb.gz looking for model 1 # naming current conformation PROTINFO-AB_TS1 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_58962977.pdb -s /var/tmp/to_scwrl_58962977.seq -o /var/tmp/from_scwrl_58962977.pdb > /var/tmp/scwrl_58962977.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_58962977.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 144 ; scwrl3 -i /var/tmp/to_scwrl_712349795.pdb -s /var/tmp/to_scwrl_712349795.seq -o /var/tmp/from_scwrl_712349795.pdb > /var/tmp/scwrl_712349795.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_712349795.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 144 ; scwrl3 -i /var/tmp/to_scwrl_704908118.pdb -s /var/tmp/to_scwrl_704908118.seq -o /var/tmp/from_scwrl_704908118.pdb > /var/tmp/scwrl_704908118.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_704908118.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 144 ; scwrl3 -i /var/tmp/to_scwrl_1482519500.pdb -s /var/tmp/to_scwrl_1482519500.seq -o /var/tmp/from_scwrl_1482519500.pdb > /var/tmp/scwrl_1482519500.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1482519500.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 144 ; scwrl3 -i /var/tmp/to_scwrl_595368109.pdb -s /var/tmp/to_scwrl_595368109.seq -o /var/tmp/from_scwrl_595368109.pdb > /var/tmp/scwrl_595368109.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_595368109.pdb # conformation set from SCWRL output # naming current conformation PROTINFO-AB_TS5-scwrl # ReadConformPDB reading from PDB file servers/PROTINFO_TS1.pdb.gz looking for model 1 # naming current conformation PROTINFO_TS1 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_805148695.pdb -s /var/tmp/to_scwrl_805148695.seq -o /var/tmp/from_scwrl_805148695.pdb > /var/tmp/scwrl_805148695.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_805148695.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 68 # copying to AlignedFragments data structure # naming current conformation PROTINFO_TS2 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_1068845561.pdb -s /var/tmp/to_scwrl_1068845561.seq -o /var/tmp/from_scwrl_1068845561.pdb > /var/tmp/scwrl_1068845561.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1068845561.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 67 # copying to AlignedFragments data structure # naming current conformation PROTINFO_TS3 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_466991984.pdb -s /var/tmp/to_scwrl_466991984.seq -o /var/tmp/from_scwrl_466991984.pdb > /var/tmp/scwrl_466991984.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_466991984.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 127 # copying to AlignedFragments data structure # naming current conformation PROTINFO_TS4 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_1437328141.pdb -s /var/tmp/to_scwrl_1437328141.seq -o /var/tmp/from_scwrl_1437328141.pdb > /var/tmp/scwrl_1437328141.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1437328141.pdb # conformation set from SCWRL output # naming current conformation PROTINFO_TS4-scwrl # ReadConformPDB reading from PDB file servers/PROTINFO_TS5.pdb.gz looking for model 1 # naming current conformation PROTINFO_TS5 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_862641504.pdb -s /var/tmp/to_scwrl_862641504.seq -o /var/tmp/from_scwrl_862641504.pdb > /var/tmp/scwrl_862641504.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_862641504.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 T0332 can't currently be optimized by undertaker # naming current conformation Pcons6_TS1 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_122114300.pdb -s /var/tmp/to_scwrl_122114300.seq -o /var/tmp/from_scwrl_122114300.pdb > /var/tmp/scwrl_122114300.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_122114300.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 # Found a chain break before 140 # copying to AlignedFragments data structure # naming current conformation Pcons6_TS2 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_1500893895.pdb -s /var/tmp/to_scwrl_1500893895.seq -o /var/tmp/from_scwrl_1500893895.pdb > /var/tmp/scwrl_1500893895.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1500893895.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 # Found a chain break before 140 # copying to AlignedFragments data structure # naming current conformation Pcons6_TS3 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_1799343032.pdb -s /var/tmp/to_scwrl_1799343032.seq -o /var/tmp/from_scwrl_1799343032.pdb > /var/tmp/scwrl_1799343032.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1799343032.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 T0332 can't currently be optimized by undertaker # naming current conformation Pcons6_TS4 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_1211641446.pdb -s /var/tmp/to_scwrl_1211641446.seq -o /var/tmp/from_scwrl_1211641446.pdb > /var/tmp/scwrl_1211641446.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1211641446.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 T0332 can't currently be optimized by undertaker # naming current conformation Pcons6_TS5 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_1542072446.pdb -s /var/tmp/to_scwrl_1542072446.seq -o /var/tmp/from_scwrl_1542072446.pdb > /var/tmp/scwrl_1542072446.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1542072446.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 T0332 can't currently be optimized by undertaker # naming current conformation Phyre-1_TS1 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_1528342595.pdb -s /var/tmp/to_scwrl_1528342595.seq -o /var/tmp/from_scwrl_1528342595.pdb > /var/tmp/scwrl_1528342595.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1528342595.pdb # conformation set from SCWRL output # naming current conformation Phyre-1_TS1-scwrl # ReadConformPDB reading from PDB file servers/Phyre-2_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0332 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation Phyre-2_TS1 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_1855737619.pdb -s /var/tmp/to_scwrl_1855737619.seq -o /var/tmp/from_scwrl_1855737619.pdb > /var/tmp/scwrl_1855737619.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1855737619.pdb # conformation set from SCWRL output # naming current conformation Phyre-2_TS1-scwrl # ReadConformPDB reading from PDB file servers/Phyre-2_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0332 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation Phyre-2_TS2 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_270526035.pdb -s /var/tmp/to_scwrl_270526035.seq -o /var/tmp/from_scwrl_270526035.pdb > /var/tmp/scwrl_270526035.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_270526035.pdb # conformation set from SCWRL output # naming current conformation Phyre-2_TS2-scwrl # ReadConformPDB reading from PDB file servers/Phyre-2_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0332 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation Phyre-2_TS3 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_1658633284.pdb -s /var/tmp/to_scwrl_1658633284.seq -o /var/tmp/from_scwrl_1658633284.pdb > /var/tmp/scwrl_1658633284.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1658633284.pdb # conformation set from SCWRL output # naming current conformation Phyre-2_TS3-scwrl # ReadConformPDB reading from PDB file servers/Phyre-2_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0332 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation Phyre-2_TS4 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_222069714.pdb -s /var/tmp/to_scwrl_222069714.seq -o /var/tmp/from_scwrl_222069714.pdb > /var/tmp/scwrl_222069714.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_222069714.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 T0332 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 144 ; scwrl3 -i /var/tmp/to_scwrl_1122827295.pdb -s /var/tmp/to_scwrl_1122827295.seq -o /var/tmp/from_scwrl_1122827295.pdb > /var/tmp/scwrl_1122827295.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1122827295.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 66 # copying to AlignedFragments data structure # naming current conformation Pmodeller6_TS1 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_2047377514.pdb -s /var/tmp/to_scwrl_2047377514.seq -o /var/tmp/from_scwrl_2047377514.pdb > /var/tmp/scwrl_2047377514.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2047377514.pdb # conformation set from SCWRL output # naming current conformation Pmodeller6_TS1-scwrl # ReadConformPDB reading from PDB file servers/Pmodeller6_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0332 can't currently be optimized by undertaker # naming current conformation Pmodeller6_TS2 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_1896541958.pdb -s /var/tmp/to_scwrl_1896541958.seq -o /var/tmp/from_scwrl_1896541958.pdb > /var/tmp/scwrl_1896541958.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1896541958.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 140 # copying to AlignedFragments data structure # naming current conformation Pmodeller6_TS3 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_153812395.pdb -s /var/tmp/to_scwrl_153812395.seq -o /var/tmp/from_scwrl_153812395.pdb > /var/tmp/scwrl_153812395.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_153812395.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 140 # copying to AlignedFragments data structure # naming current conformation Pmodeller6_TS4 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_560870403.pdb -s /var/tmp/to_scwrl_560870403.seq -o /var/tmp/from_scwrl_560870403.pdb > /var/tmp/scwrl_560870403.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_560870403.pdb # conformation set from SCWRL output # naming current conformation Pmodeller6_TS4-scwrl # ReadConformPDB reading from PDB file servers/Pmodeller6_TS5.pdb.gz looking for model 1 # Found a chain break before 140 # copying to AlignedFragments data structure # naming current conformation Pmodeller6_TS5 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_911173714.pdb -s /var/tmp/to_scwrl_911173714.seq -o /var/tmp/from_scwrl_911173714.pdb > /var/tmp/scwrl_911173714.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_911173714.pdb # conformation set from SCWRL output # naming current conformation Pmodeller6_TS5-scwrl # ReadConformPDB reading from PDB file servers/RAPTOR-ACE_TS1.pdb.gz looking for model 1 # Found a chain break before 64 # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS1 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_255152611.pdb -s /var/tmp/to_scwrl_255152611.seq -o /var/tmp/from_scwrl_255152611.pdb > /var/tmp/scwrl_255152611.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_255152611.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 61 # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS2 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_737423644.pdb -s /var/tmp/to_scwrl_737423644.seq -o /var/tmp/from_scwrl_737423644.pdb > /var/tmp/scwrl_737423644.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_737423644.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 74 # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS3 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_135438058.pdb -s /var/tmp/to_scwrl_135438058.seq -o /var/tmp/from_scwrl_135438058.pdb > /var/tmp/scwrl_135438058.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_135438058.pdb # conformation set from SCWRL output # naming current conformation RAPTOR-ACE_TS3-scwrl # ReadConformPDB reading from PDB file servers/RAPTOR-ACE_TS4.pdb.gz looking for model 1 # Found a chain break before 93 # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS4 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_428144427.pdb -s /var/tmp/to_scwrl_428144427.seq -o /var/tmp/from_scwrl_428144427.pdb > /var/tmp/scwrl_428144427.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_428144427.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 64 # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS5 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_1179932104.pdb -s /var/tmp/to_scwrl_1179932104.seq -o /var/tmp/from_scwrl_1179932104.pdb > /var/tmp/scwrl_1179932104.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1179932104.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 67 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS1 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_194401036.pdb -s /var/tmp/to_scwrl_194401036.seq -o /var/tmp/from_scwrl_194401036.pdb > /var/tmp/scwrl_194401036.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_194401036.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 66 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS2 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_1140494221.pdb -s /var/tmp/to_scwrl_1140494221.seq -o /var/tmp/from_scwrl_1140494221.pdb > /var/tmp/scwrl_1140494221.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1140494221.pdb # conformation set from SCWRL output # naming current conformation RAPTORESS_TS2-scwrl # ReadConformPDB reading from PDB file servers/RAPTORESS_TS3.pdb.gz looking for model 1 # naming current conformation RAPTORESS_TS3 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_1884840222.pdb -s /var/tmp/to_scwrl_1884840222.seq -o /var/tmp/from_scwrl_1884840222.pdb > /var/tmp/scwrl_1884840222.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1884840222.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 67 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS4 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_1676920536.pdb -s /var/tmp/to_scwrl_1676920536.seq -o /var/tmp/from_scwrl_1676920536.pdb > /var/tmp/scwrl_1676920536.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1676920536.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 88 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS5 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_1735862330.pdb -s /var/tmp/to_scwrl_1735862330.seq -o /var/tmp/from_scwrl_1735862330.pdb > /var/tmp/scwrl_1735862330.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1735862330.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 30 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS1 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_542505270.pdb -s /var/tmp/to_scwrl_542505270.seq -o /var/tmp/from_scwrl_542505270.pdb > /var/tmp/scwrl_542505270.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_542505270.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 144 ; scwrl3 -i /var/tmp/to_scwrl_598282450.pdb -s /var/tmp/to_scwrl_598282450.seq -o /var/tmp/from_scwrl_598282450.pdb > /var/tmp/scwrl_598282450.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_598282450.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 144 ; scwrl3 -i /var/tmp/to_scwrl_55370667.pdb -s /var/tmp/to_scwrl_55370667.seq -o /var/tmp/from_scwrl_55370667.pdb > /var/tmp/scwrl_55370667.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_55370667.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 # Found a chain break before 69 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS4 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_1979833412.pdb -s /var/tmp/to_scwrl_1979833412.seq -o /var/tmp/from_scwrl_1979833412.pdb > /var/tmp/scwrl_1979833412.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1979833412.pdb # conformation set from SCWRL output # naming current conformation RAPTOR_TS4-scwrl # ReadConformPDB reading from PDB file servers/RAPTOR_TS5.pdb.gz looking for model 1 # Found a chain break before 86 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS5 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_1460923954.pdb -s /var/tmp/to_scwrl_1460923954.seq -o /var/tmp/from_scwrl_1460923954.pdb > /var/tmp/scwrl_1460923954.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1460923954.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 69 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS1 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_177484967.pdb -s /var/tmp/to_scwrl_177484967.seq -o /var/tmp/from_scwrl_177484967.pdb > /var/tmp/scwrl_177484967.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_177484967.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 68 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS2 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_1333243660.pdb -s /var/tmp/to_scwrl_1333243660.seq -o /var/tmp/from_scwrl_1333243660.pdb > /var/tmp/scwrl_1333243660.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1333243660.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 40 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS3 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_1112783339.pdb -s /var/tmp/to_scwrl_1112783339.seq -o /var/tmp/from_scwrl_1112783339.pdb > /var/tmp/scwrl_1112783339.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1112783339.pdb # conformation set from SCWRL output # naming current conformation ROBETTA_TS3-scwrl # ReadConformPDB reading from PDB file servers/ROBETTA_TS4.pdb.gz looking for model 1 # naming current conformation ROBETTA_TS4 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_1389126414.pdb -s /var/tmp/to_scwrl_1389126414.seq -o /var/tmp/from_scwrl_1389126414.pdb > /var/tmp/scwrl_1389126414.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1389126414.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 66 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS5 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_727832461.pdb -s /var/tmp/to_scwrl_727832461.seq -o /var/tmp/from_scwrl_727832461.pdb > /var/tmp/scwrl_727832461.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_727832461.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 # naming current conformation ROKKY_TS1 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_493642288.pdb -s /var/tmp/to_scwrl_493642288.seq -o /var/tmp/from_scwrl_493642288.pdb > /var/tmp/scwrl_493642288.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_493642288.pdb # conformation set from SCWRL output # naming current conformation ROKKY_TS1-scwrl # ReadConformPDB reading from PDB file servers/ROKKY_TS2.pdb.gz looking for model 1 # Found a chain break before 68 # copying to AlignedFragments data structure # naming current conformation ROKKY_TS2 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_1097380386.pdb -s /var/tmp/to_scwrl_1097380386.seq -o /var/tmp/from_scwrl_1097380386.pdb > /var/tmp/scwrl_1097380386.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1097380386.pdb # conformation set from SCWRL output # naming current conformation ROKKY_TS2-scwrl # ReadConformPDB reading from PDB file servers/ROKKY_TS3.pdb.gz looking for model 1 # Found a chain break before 81 # copying to AlignedFragments data structure # naming current conformation ROKKY_TS3 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_998358496.pdb -s /var/tmp/to_scwrl_998358496.seq -o /var/tmp/from_scwrl_998358496.pdb > /var/tmp/scwrl_998358496.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_998358496.pdb # conformation set from SCWRL output # naming current conformation ROKKY_TS3-scwrl # ReadConformPDB reading from PDB file servers/ROKKY_TS4.pdb.gz looking for model 1 # Found a chain break before 63 # copying to AlignedFragments data structure # naming current conformation ROKKY_TS4 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_4791925.pdb -s /var/tmp/to_scwrl_4791925.seq -o /var/tmp/from_scwrl_4791925.pdb > /var/tmp/scwrl_4791925.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_4791925.pdb # conformation set from SCWRL output # naming current conformation ROKKY_TS4-scwrl # ReadConformPDB reading from PDB file servers/ROKKY_TS5.pdb.gz looking for model 1 # Found a chain break before 86 # copying to AlignedFragments data structure # naming current conformation ROKKY_TS5 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_1319450100.pdb -s /var/tmp/to_scwrl_1319450100.seq -o /var/tmp/from_scwrl_1319450100.pdb > /var/tmp/scwrl_1319450100.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1319450100.pdb # conformation set from SCWRL output # naming current conformation ROKKY_TS5-scwrl # ReadConformPDB reading from PDB file servers/SAM-T02_AL1.pdb.gz looking for model 1 Skipped atom 494, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 496, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 498, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 500, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 502, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 504, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 506, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 508, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 510, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 512, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 514, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 516, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 518, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 520, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 522, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 524, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 526, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 528, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 530, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 532, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz # WARNING: incomplete conformation T0332 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL1 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_2121185791.pdb -s /var/tmp/to_scwrl_2121185791.seq -o /var/tmp/from_scwrl_2121185791.pdb > /var/tmp/scwrl_2121185791.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2121185791.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 T0332 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL2 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_2052169439.pdb -s /var/tmp/to_scwrl_2052169439.seq -o /var/tmp/from_scwrl_2052169439.pdb > /var/tmp/scwrl_2052169439.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2052169439.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 T0332 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL3 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_1068508412.pdb -s /var/tmp/to_scwrl_1068508412.seq -o /var/tmp/from_scwrl_1068508412.pdb > /var/tmp/scwrl_1068508412.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1068508412.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 T0332 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL4 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_127514540.pdb -s /var/tmp/to_scwrl_127514540.seq -o /var/tmp/from_scwrl_127514540.pdb > /var/tmp/scwrl_127514540.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_127514540.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 T0332 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL5 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_465556195.pdb -s /var/tmp/to_scwrl_465556195.seq -o /var/tmp/from_scwrl_465556195.pdb > /var/tmp/scwrl_465556195.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_465556195.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 T0332 can't currently be optimized by undertaker # naming current conformation SAM-T99_AL1 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_1979682125.pdb -s /var/tmp/to_scwrl_1979682125.seq -o /var/tmp/from_scwrl_1979682125.pdb > /var/tmp/scwrl_1979682125.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1979682125.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 T0332 can't currently be optimized by undertaker # naming current conformation SAM-T99_AL2 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_382667151.pdb -s /var/tmp/to_scwrl_382667151.seq -o /var/tmp/from_scwrl_382667151.pdb > /var/tmp/scwrl_382667151.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_382667151.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 T0332 can't currently be optimized by undertaker # naming current conformation SAM-T99_AL3 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_1202979838.pdb -s /var/tmp/to_scwrl_1202979838.seq -o /var/tmp/from_scwrl_1202979838.pdb > /var/tmp/scwrl_1202979838.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1202979838.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 T0332 can't currently be optimized by undertaker # naming current conformation SAM-T99_AL4 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_2115120184.pdb -s /var/tmp/to_scwrl_2115120184.seq -o /var/tmp/from_scwrl_2115120184.pdb > /var/tmp/scwrl_2115120184.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2115120184.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 T0332 can't currently be optimized by undertaker # naming current conformation SAM-T99_AL5 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_810811578.pdb -s /var/tmp/to_scwrl_810811578.seq -o /var/tmp/from_scwrl_810811578.pdb > /var/tmp/scwrl_810811578.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_810811578.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 140 # copying to AlignedFragments data structure # naming current conformation SAM_T06_server_TS1 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_235428296.pdb -s /var/tmp/to_scwrl_235428296.seq -o /var/tmp/from_scwrl_235428296.pdb > /var/tmp/scwrl_235428296.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_235428296.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 T0332 can't currently be optimized by undertaker # naming current conformation SAM_T06_server_TS2 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_162037573.pdb -s /var/tmp/to_scwrl_162037573.seq -o /var/tmp/from_scwrl_162037573.pdb > /var/tmp/scwrl_162037573.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_162037573.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 T0332 can't currently be optimized by undertaker # naming current conformation SAM_T06_server_TS3 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_1951305800.pdb -s /var/tmp/to_scwrl_1951305800.seq -o /var/tmp/from_scwrl_1951305800.pdb > /var/tmp/scwrl_1951305800.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1951305800.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 T0332 can't currently be optimized by undertaker # naming current conformation SAM_T06_server_TS4 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_2120268519.pdb -s /var/tmp/to_scwrl_2120268519.seq -o /var/tmp/from_scwrl_2120268519.pdb > /var/tmp/scwrl_2120268519.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2120268519.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 T0332 can't currently be optimized by undertaker # naming current conformation SAM_T06_server_TS5 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_1838958109.pdb -s /var/tmp/to_scwrl_1838958109.seq -o /var/tmp/from_scwrl_1838958109.pdb > /var/tmp/scwrl_1838958109.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1838958109.pdb # conformation set from SCWRL output # naming current conformation SAM_T06_server_TS5-scwrl # ReadConformPDB reading from PDB file servers/SP3_TS1.pdb.gz looking for model 1 # naming current conformation SP3_TS1 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_1539684483.pdb -s /var/tmp/to_scwrl_1539684483.seq -o /var/tmp/from_scwrl_1539684483.pdb > /var/tmp/scwrl_1539684483.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1539684483.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 54 # copying to AlignedFragments data structure # naming current conformation SP3_TS2 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_515290142.pdb -s /var/tmp/to_scwrl_515290142.seq -o /var/tmp/from_scwrl_515290142.pdb > /var/tmp/scwrl_515290142.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_515290142.pdb # conformation set from SCWRL output # naming current conformation SP3_TS2-scwrl # ReadConformPDB reading from PDB file servers/SP3_TS3.pdb.gz looking for model 1 # Found a chain break before 103 # copying to AlignedFragments data structure # naming current conformation SP3_TS3 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_289756913.pdb -s /var/tmp/to_scwrl_289756913.seq -o /var/tmp/from_scwrl_289756913.pdb > /var/tmp/scwrl_289756913.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_289756913.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 144 ; scwrl3 -i /var/tmp/to_scwrl_1595055151.pdb -s /var/tmp/to_scwrl_1595055151.seq -o /var/tmp/from_scwrl_1595055151.pdb > /var/tmp/scwrl_1595055151.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1595055151.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 91 # copying to AlignedFragments data structure # naming current conformation SP3_TS5 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_347639907.pdb -s /var/tmp/to_scwrl_347639907.seq -o /var/tmp/from_scwrl_347639907.pdb > /var/tmp/scwrl_347639907.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_347639907.pdb # conformation set from SCWRL output # naming current conformation SP3_TS5-scwrl # ReadConformPDB reading from PDB file servers/SP4_TS1.pdb.gz looking for model 1 # naming current conformation SP4_TS1 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_1750680867.pdb -s /var/tmp/to_scwrl_1750680867.seq -o /var/tmp/from_scwrl_1750680867.pdb > /var/tmp/scwrl_1750680867.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1750680867.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 144 ; scwrl3 -i /var/tmp/to_scwrl_1772540118.pdb -s /var/tmp/to_scwrl_1772540118.seq -o /var/tmp/from_scwrl_1772540118.pdb > /var/tmp/scwrl_1772540118.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1772540118.pdb # conformation set from SCWRL output # naming current conformation SP4_TS2-scwrl # ReadConformPDB reading from PDB file servers/SP4_TS3.pdb.gz looking for model 1 # Found a chain break before 103 # copying to AlignedFragments data structure # naming current conformation SP4_TS3 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_1680883568.pdb -s /var/tmp/to_scwrl_1680883568.seq -o /var/tmp/from_scwrl_1680883568.pdb > /var/tmp/scwrl_1680883568.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1680883568.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 156 # copying to AlignedFragments data structure # naming current conformation SP4_TS4 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_715980560.pdb -s /var/tmp/to_scwrl_715980560.seq -o /var/tmp/from_scwrl_715980560.pdb > /var/tmp/scwrl_715980560.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_715980560.pdb # conformation set from SCWRL output # naming current conformation SP4_TS4-scwrl # ReadConformPDB reading from PDB file servers/SP4_TS5.pdb.gz looking for model 1 # Found a chain break before 81 # copying to AlignedFragments data structure # naming current conformation SP4_TS5 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_1014182886.pdb -s /var/tmp/to_scwrl_1014182886.seq -o /var/tmp/from_scwrl_1014182886.pdb > /var/tmp/scwrl_1014182886.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1014182886.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 144 ; scwrl3 -i /var/tmp/to_scwrl_261232382.pdb -s /var/tmp/to_scwrl_261232382.seq -o /var/tmp/from_scwrl_261232382.pdb > /var/tmp/scwrl_261232382.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_261232382.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 # naming current conformation SPARKS2_TS2 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_1209622847.pdb -s /var/tmp/to_scwrl_1209622847.seq -o /var/tmp/from_scwrl_1209622847.pdb > /var/tmp/scwrl_1209622847.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1209622847.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 39 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS3 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_2111563272.pdb -s /var/tmp/to_scwrl_2111563272.seq -o /var/tmp/from_scwrl_2111563272.pdb > /var/tmp/scwrl_2111563272.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2111563272.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 66 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS4 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_1259590877.pdb -s /var/tmp/to_scwrl_1259590877.seq -o /var/tmp/from_scwrl_1259590877.pdb > /var/tmp/scwrl_1259590877.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1259590877.pdb # conformation set from SCWRL output # naming current conformation SPARKS2_TS4-scwrl # ReadConformPDB reading from PDB file servers/SPARKS2_TS5.pdb.gz looking for model 1 # Found a chain break before 91 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS5 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_1214414772.pdb -s /var/tmp/to_scwrl_1214414772.seq -o /var/tmp/from_scwrl_1214414772.pdb > /var/tmp/scwrl_1214414772.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1214414772.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 T0332 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation UNI-EID_bnmx_TS1 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_1283529725.pdb -s /var/tmp/to_scwrl_1283529725.seq -o /var/tmp/from_scwrl_1283529725.pdb > /var/tmp/scwrl_1283529725.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1283529725.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 T0332 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS2 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_1233293022.pdb -s /var/tmp/to_scwrl_1233293022.seq -o /var/tmp/from_scwrl_1233293022.pdb > /var/tmp/scwrl_1233293022.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1233293022.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 T0332 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation UNI-EID_bnmx_TS3 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_1119100564.pdb -s /var/tmp/to_scwrl_1119100564.seq -o /var/tmp/from_scwrl_1119100564.pdb > /var/tmp/scwrl_1119100564.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1119100564.pdb # conformation set from SCWRL output # naming current conformation UNI-EID_bnmx_TS3-scwrl # ReadConformPDB reading from PDB file servers/UNI-EID_bnmx_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0332 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS4 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_204554490.pdb -s /var/tmp/to_scwrl_204554490.seq -o /var/tmp/from_scwrl_204554490.pdb > /var/tmp/scwrl_204554490.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_204554490.pdb # conformation set from SCWRL output # naming current conformation UNI-EID_bnmx_TS4-scwrl # ReadConformPDB reading from PDB file servers/UNI-EID_bnmx_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0332 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation UNI-EID_bnmx_TS5 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_1360807562.pdb -s /var/tmp/to_scwrl_1360807562.seq -o /var/tmp/from_scwrl_1360807562.pdb > /var/tmp/scwrl_1360807562.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1360807562.pdb # conformation set from SCWRL output # naming current conformation UNI-EID_bnmx_TS5-scwrl # ReadConformPDB reading from PDB file servers/UNI-EID_expm_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0332 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation UNI-EID_expm_TS1 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_1584656759.pdb -s /var/tmp/to_scwrl_1584656759.seq -o /var/tmp/from_scwrl_1584656759.pdb > /var/tmp/scwrl_1584656759.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1584656759.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 T0332 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation UNI-EID_sfst_AL1 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_36752969.pdb -s /var/tmp/to_scwrl_36752969.seq -o /var/tmp/from_scwrl_36752969.pdb > /var/tmp/scwrl_36752969.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_36752969.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 T0332 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL2 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_1743474713.pdb -s /var/tmp/to_scwrl_1743474713.seq -o /var/tmp/from_scwrl_1743474713.pdb > /var/tmp/scwrl_1743474713.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1743474713.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 T0332 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation UNI-EID_sfst_AL3 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_640152952.pdb -s /var/tmp/to_scwrl_640152952.seq -o /var/tmp/from_scwrl_640152952.pdb > /var/tmp/scwrl_640152952.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_640152952.pdb # conformation set from SCWRL output # naming current conformation UNI-EID_sfst_AL3-scwrl # ReadConformPDB reading from PDB file servers/UNI-EID_sfst_AL4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0332 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL4 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_4389506.pdb -s /var/tmp/to_scwrl_4389506.seq -o /var/tmp/from_scwrl_4389506.pdb > /var/tmp/scwrl_4389506.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_4389506.pdb # conformation set from SCWRL output # naming current conformation UNI-EID_sfst_AL4-scwrl # ReadConformPDB reading from PDB file servers/UNI-EID_sfst_AL5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0332 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation UNI-EID_sfst_AL5 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_406802644.pdb -s /var/tmp/to_scwrl_406802644.seq -o /var/tmp/from_scwrl_406802644.pdb > /var/tmp/scwrl_406802644.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_406802644.pdb # conformation set from SCWRL output # naming current conformation UNI-EID_sfst_AL5-scwrl # ReadConformPDB reading from PDB file servers/Zhang-Server_TS1.pdb.gz looking for model 1 # Found a chain break before 93 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS1 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_875581248.pdb -s /var/tmp/to_scwrl_875581248.seq -o /var/tmp/from_scwrl_875581248.pdb > /var/tmp/scwrl_875581248.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_875581248.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 103 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS2 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_166427079.pdb -s /var/tmp/to_scwrl_166427079.seq -o /var/tmp/from_scwrl_166427079.pdb > /var/tmp/scwrl_166427079.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_166427079.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 102 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS3 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_210624797.pdb -s /var/tmp/to_scwrl_210624797.seq -o /var/tmp/from_scwrl_210624797.pdb > /var/tmp/scwrl_210624797.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_210624797.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 102 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS4 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_848366120.pdb -s /var/tmp/to_scwrl_848366120.seq -o /var/tmp/from_scwrl_848366120.pdb > /var/tmp/scwrl_848366120.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_848366120.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 # naming current conformation Zhang-Server_TS5 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_2005385188.pdb -s /var/tmp/to_scwrl_2005385188.seq -o /var/tmp/from_scwrl_2005385188.pdb > /var/tmp/scwrl_2005385188.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2005385188.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 158 # copying to AlignedFragments data structure # naming current conformation beautshot_TS1 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_1750309281.pdb -s /var/tmp/to_scwrl_1750309281.seq -o /var/tmp/from_scwrl_1750309281.pdb > /var/tmp/scwrl_1750309281.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1750309281.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 # Found a chain break before 140 # copying to AlignedFragments data structure # naming current conformation beautshotbase_TS1 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_1363656262.pdb -s /var/tmp/to_scwrl_1363656262.seq -o /var/tmp/from_scwrl_1363656262.pdb > /var/tmp/scwrl_1363656262.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1363656262.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 T0332 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation forecast-s_AL1 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_147658454.pdb -s /var/tmp/to_scwrl_147658454.seq -o /var/tmp/from_scwrl_147658454.pdb > /var/tmp/scwrl_147658454.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_147658454.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 T0332 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation forecast-s_AL2 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_1197880785.pdb -s /var/tmp/to_scwrl_1197880785.seq -o /var/tmp/from_scwrl_1197880785.pdb > /var/tmp/scwrl_1197880785.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1197880785.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 Skipped atom 494, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz Skipped atom 496, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz Skipped atom 498, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz Skipped atom 500, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz Skipped atom 502, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz Skipped atom 504, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz Skipped atom 506, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz Skipped atom 508, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz Skipped atom 510, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz Skipped atom 512, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz Skipped atom 514, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz Skipped atom 516, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz Skipped atom 518, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz Skipped atom 520, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz Skipped atom 522, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz Skipped atom 524, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz Skipped atom 526, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz Skipped atom 528, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz Skipped atom 530, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz Skipped atom 532, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz # WARNING: incomplete conformation T0332 can't currently be optimized by undertaker # naming current conformation forecast-s_AL3 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_1711296169.pdb -s /var/tmp/to_scwrl_1711296169.seq -o /var/tmp/from_scwrl_1711296169.pdb > /var/tmp/scwrl_1711296169.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1711296169.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 T0332 can't currently be optimized by undertaker # naming current conformation forecast-s_AL4 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_1898339321.pdb -s /var/tmp/to_scwrl_1898339321.seq -o /var/tmp/from_scwrl_1898339321.pdb > /var/tmp/scwrl_1898339321.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1898339321.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 T0332 can't currently be optimized by undertaker # naming current conformation forecast-s_AL5 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_822937257.pdb -s /var/tmp/to_scwrl_822937257.seq -o /var/tmp/from_scwrl_822937257.pdb > /var/tmp/scwrl_822937257.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_822937257.pdb # conformation set from SCWRL output # naming current conformation forecast-s_AL5-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv.2_TS1.pdb.gz looking for model 1 # naming current conformation karypis.srv.2_TS1 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_1244696090.pdb -s /var/tmp/to_scwrl_1244696090.seq -o /var/tmp/from_scwrl_1244696090.pdb > /var/tmp/scwrl_1244696090.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1244696090.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 155 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS2 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_466836234.pdb -s /var/tmp/to_scwrl_466836234.seq -o /var/tmp/from_scwrl_466836234.pdb > /var/tmp/scwrl_466836234.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_466836234.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 54 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS3 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_1837120143.pdb -s /var/tmp/to_scwrl_1837120143.seq -o /var/tmp/from_scwrl_1837120143.pdb > /var/tmp/scwrl_1837120143.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1837120143.pdb # conformation set from SCWRL output # naming current conformation karypis.srv.2_TS3-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv.2_TS4.pdb.gz looking for model 1 # naming current conformation karypis.srv.2_TS4 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_1505928472.pdb -s /var/tmp/to_scwrl_1505928472.seq -o /var/tmp/from_scwrl_1505928472.pdb > /var/tmp/scwrl_1505928472.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1505928472.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 43 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS5 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_1676459081.pdb -s /var/tmp/to_scwrl_1676459081.seq -o /var/tmp/from_scwrl_1676459081.pdb > /var/tmp/scwrl_1676459081.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1676459081.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 T0332 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation karypis.srv_TS1 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_1801199768.pdb -s /var/tmp/to_scwrl_1801199768.seq -o /var/tmp/from_scwrl_1801199768.pdb > /var/tmp/scwrl_1801199768.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1801199768.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 T0332 can't currently be optimized by undertaker # naming current conformation karypis.srv_TS2 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_618035704.pdb -s /var/tmp/to_scwrl_618035704.seq -o /var/tmp/from_scwrl_618035704.pdb > /var/tmp/scwrl_618035704.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_618035704.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 # Found a chain break before 39 # copying to AlignedFragments data structure # naming current conformation karypis.srv_TS3 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_743390207.pdb -s /var/tmp/to_scwrl_743390207.seq -o /var/tmp/from_scwrl_743390207.pdb > /var/tmp/scwrl_743390207.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_743390207.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 T0332 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation karypis.srv_TS4 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_937245848.pdb -s /var/tmp/to_scwrl_937245848.seq -o /var/tmp/from_scwrl_937245848.pdb > /var/tmp/scwrl_937245848.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_937245848.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 T0332 can't currently be optimized by undertaker # naming current conformation karypis.srv_TS5 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_1851328726.pdb -s /var/tmp/to_scwrl_1851328726.seq -o /var/tmp/from_scwrl_1851328726.pdb > /var/tmp/scwrl_1851328726.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1851328726.pdb # conformation set from SCWRL output # naming current conformation karypis.srv_TS5-scwrl # ReadConformPDB reading from PDB file servers/keasar-server_TS1.pdb.gz looking for model 1 # Found a chain break before 105 # copying to AlignedFragments data structure # naming current conformation keasar-server_TS1 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_1862490771.pdb -s /var/tmp/to_scwrl_1862490771.seq -o /var/tmp/from_scwrl_1862490771.pdb > /var/tmp/scwrl_1862490771.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1862490771.pdb # conformation set from SCWRL output # naming current conformation keasar-server_TS1-scwrl # ReadConformPDB reading from PDB file servers/keasar-server_TS2.pdb.gz looking for model 1 # Found a chain break before 105 # copying to AlignedFragments data structure # naming current conformation keasar-server_TS2 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_1141800337.pdb -s /var/tmp/to_scwrl_1141800337.seq -o /var/tmp/from_scwrl_1141800337.pdb > /var/tmp/scwrl_1141800337.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1141800337.pdb # conformation set from SCWRL output # naming current conformation keasar-server_TS2-scwrl # ReadConformPDB reading from PDB file servers/keasar-server_TS3.pdb.gz looking for model 1 # Found a chain break before 105 # copying to AlignedFragments data structure # naming current conformation keasar-server_TS3 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_1064652642.pdb -s /var/tmp/to_scwrl_1064652642.seq -o /var/tmp/from_scwrl_1064652642.pdb > /var/tmp/scwrl_1064652642.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1064652642.pdb # conformation set from SCWRL output # naming current conformation keasar-server_TS3-scwrl # ReadConformPDB reading from PDB file servers/keasar-server_TS4.pdb.gz looking for model 1 # Found a chain break before 66 # copying to AlignedFragments data structure # naming current conformation keasar-server_TS4 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_1299663884.pdb -s /var/tmp/to_scwrl_1299663884.seq -o /var/tmp/from_scwrl_1299663884.pdb > /var/tmp/scwrl_1299663884.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1299663884.pdb # conformation set from SCWRL output # naming current conformation keasar-server_TS4-scwrl # ReadConformPDB reading from PDB file servers/keasar-server_TS5.pdb.gz looking for model 1 # Found a chain break before 110 # copying to AlignedFragments data structure # naming current conformation keasar-server_TS5 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_1178553306.pdb -s /var/tmp/to_scwrl_1178553306.seq -o /var/tmp/from_scwrl_1178553306.pdb > /var/tmp/scwrl_1178553306.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1178553306.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 T0332 can't currently be optimized by undertaker # naming current conformation mGen-3D_TS1 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_660643708.pdb -s /var/tmp/to_scwrl_660643708.seq -o /var/tmp/from_scwrl_660643708.pdb > /var/tmp/scwrl_660643708.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_660643708.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 T0332 can't currently be optimized by undertaker # naming current conformation nFOLD_TS1 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_1939816836.pdb -s /var/tmp/to_scwrl_1939816836.seq -o /var/tmp/from_scwrl_1939816836.pdb > /var/tmp/scwrl_1939816836.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1939816836.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 T0332 can't currently be optimized by undertaker # naming current conformation nFOLD_TS2 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_1182942812.pdb -s /var/tmp/to_scwrl_1182942812.seq -o /var/tmp/from_scwrl_1182942812.pdb > /var/tmp/scwrl_1182942812.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1182942812.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 T0332 can't currently be optimized by undertaker # naming current conformation nFOLD_TS3 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_1067446352.pdb -s /var/tmp/to_scwrl_1067446352.seq -o /var/tmp/from_scwrl_1067446352.pdb > /var/tmp/scwrl_1067446352.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1067446352.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 T0332 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation nFOLD_TS4 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_667914437.pdb -s /var/tmp/to_scwrl_667914437.seq -o /var/tmp/from_scwrl_667914437.pdb > /var/tmp/scwrl_667914437.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_667914437.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 T0332 can't currently be optimized by undertaker # naming current conformation nFOLD_TS5 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_1349369891.pdb -s /var/tmp/to_scwrl_1349369891.seq -o /var/tmp/from_scwrl_1349369891.pdb > /var/tmp/scwrl_1349369891.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1349369891.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 # Found a chain break before 66 # copying to AlignedFragments data structure # naming current conformation panther2_TS1 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_1278071149.pdb -s /var/tmp/to_scwrl_1278071149.seq -o /var/tmp/from_scwrl_1278071149.pdb > /var/tmp/scwrl_1278071149.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1278071149.pdb # conformation set from SCWRL output # naming current conformation panther2_TS1-scwrl # ReadConformPDB reading from PDB file servers/shub_TS1.pdb.gz looking for model 1 # Found a chain break before 158 # copying to AlignedFragments data structure # naming current conformation shub_TS1 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_1516280557.pdb -s /var/tmp/to_scwrl_1516280557.seq -o /var/tmp/from_scwrl_1516280557.pdb > /var/tmp/scwrl_1516280557.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1516280557.pdb # conformation set from SCWRL output # naming current conformation shub_TS1-scwrl # command:CPU_time= 31.422 sec, elapsed time= 225.353 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 53.804 real_cost = -147.682 shub_TS1 costs 53.804 real_cost = -149.767 panther2_TS1-scwrl costs 55.300 real_cost = -129.360 panther2_TS1 costs 55.300 real_cost = -117.864 nFOLD_TS5-scwrl costs 50.798 real_cost = -99.963 nFOLD_TS5 costs 50.791 real_cost = -36.407 nFOLD_TS4-scwrl costs 51.169 real_cost = -25.380 nFOLD_TS4 costs 51.169 real_cost = -28.849 nFOLD_TS3-scwrl costs 51.779 real_cost = -140.742 nFOLD_TS3 costs 51.769 real_cost = -67.878 nFOLD_TS2-scwrl costs 50.715 real_cost = -102.304 nFOLD_TS2 costs 50.671 real_cost = -26.480 nFOLD_TS1-scwrl costs 71.139 real_cost = -71.034 nFOLD_TS1 costs 71.143 real_cost = -6.603 mGen-3D_TS1-scwrl costs 51.779 real_cost = -140.742 mGen-3D_TS1 costs 51.769 real_cost = -67.878 keasar-server_TS5-scwrl costs 61.687 real_cost = -125.501 keasar-server_TS5 costs 61.687 real_cost = -123.129 keasar-server_TS4-scwrl costs 55.802 real_cost = -107.318 keasar-server_TS4 costs 55.802 real_cost = -106.297 keasar-server_TS3-scwrl costs 59.204 real_cost = -122.600 keasar-server_TS3 costs 59.204 real_cost = -112.580 keasar-server_TS2-scwrl costs 59.204 real_cost = -122.600 keasar-server_TS2 costs 59.204 real_cost = -112.580 keasar-server_TS1-scwrl costs 59.204 real_cost = -122.600 keasar-server_TS1 costs 59.204 real_cost = -112.580 karypis.srv_TS5-scwrl costs 92.809 real_cost = 178.995 karypis.srv_TS5 costs 92.786 real_cost = 171.393 karypis.srv_TS4-scwrl costs 92.350 real_cost = 268.264 karypis.srv_TS4 costs 92.350 real_cost = 269.145 karypis.srv_TS3-scwrl costs 47.675 real_cost = -151.556 karypis.srv_TS3 costs 47.675 real_cost = -151.556 karypis.srv_TS2-scwrl costs 61.384 real_cost = -27.317 karypis.srv_TS2 costs 61.354 real_cost = -33.972 karypis.srv_TS1-scwrl costs 40.803 real_cost = -106.808 karypis.srv_TS1 costs 40.803 real_cost = -105.881 karypis.srv.2_TS5-scwrl costs 45.706 real_cost = -138.972 karypis.srv.2_TS5 costs 45.706 real_cost = -139.355 karypis.srv.2_TS4-scwrl costs 40.953 real_cost = -132.591 karypis.srv.2_TS4 costs 40.953 real_cost = -132.497 karypis.srv.2_TS3-scwrl costs 50.600 real_cost = -150.891 karypis.srv.2_TS3 costs 50.600 real_cost = -150.891 karypis.srv.2_TS2-scwrl costs 46.395 real_cost = -144.915 karypis.srv.2_TS2 costs 46.395 real_cost = -143.878 karypis.srv.2_TS1-scwrl costs 45.057 real_cost = -150.664 karypis.srv.2_TS1 costs 45.057 real_cost = -149.740 forecast-s_AL5-scwrl costs 86.837 real_cost = 158.572 forecast-s_AL5 costs 86.808 real_cost = 211.836 forecast-s_AL4-scwrl costs 49.287 real_cost = -105.462 forecast-s_AL4 costs 49.323 real_cost = -9.617 forecast-s_AL3-scwrl costs 70.802 real_cost = -13.854 forecast-s_AL3 costs 70.738 real_cost = 73.953 forecast-s_AL2-scwrl costs 51.662 real_cost = -152.019 forecast-s_AL2 costs 51.662 real_cost = -46.695 forecast-s_AL1-scwrl costs 67.186 real_cost = -67.110 forecast-s_AL1 costs 67.186 real_cost = 24.312 beautshotbase_TS1-scwrl costs 54.853 real_cost = -150.451 beautshotbase_TS1 costs 54.853 real_cost = -142.450 beautshot_TS1-scwrl costs 57.678 real_cost = -162.010 beautshot_TS1 costs 57.678 real_cost = -153.647 Zhang-Server_TS5-scwrl costs 41.631 real_cost = -136.449 Zhang-Server_TS5 costs 41.631 real_cost = -134.499 Zhang-Server_TS4-scwrl costs 52.804 real_cost = -171.224 Zhang-Server_TS4 costs 52.804 real_cost = -172.542 Zhang-Server_TS3-scwrl costs 46.430 real_cost = -172.097 Zhang-Server_TS3 costs 46.430 real_cost = -171.888 Zhang-Server_TS2-scwrl costs 45.370 real_cost = -149.571 Zhang-Server_TS2 costs 45.370 real_cost = -149.141 Zhang-Server_TS1-scwrl costs 48.836 real_cost = -147.830 Zhang-Server_TS1 costs 48.836 real_cost = -147.179 UNI-EID_sfst_AL5-scwrl costs 49.262 real_cost = -152.801 UNI-EID_sfst_AL5 costs 49.262 real_cost = -43.963 UNI-EID_sfst_AL4-scwrl costs 51.953 real_cost = -132.852 UNI-EID_sfst_AL4 costs 51.996 real_cost = -36.130 UNI-EID_sfst_AL3-scwrl costs 50.686 real_cost = 7.350 UNI-EID_sfst_AL3 costs 50.686 real_cost = 4.213 UNI-EID_sfst_AL2-scwrl costs 49.776 real_cost = -106.365 UNI-EID_sfst_AL2 costs 49.730 real_cost = -8.882 UNI-EID_sfst_AL1-scwrl costs 51.859 real_cost = -152.821 UNI-EID_sfst_AL1 costs 51.859 real_cost = -47.420 UNI-EID_expm_TS1-scwrl costs 82.189 real_cost = -156.978 UNI-EID_expm_TS1 costs 82.189 real_cost = -81.670 UNI-EID_bnmx_TS5-scwrl costs 49.262 real_cost = -152.801 UNI-EID_bnmx_TS5 costs 49.262 real_cost = -43.963 UNI-EID_bnmx_TS4-scwrl costs 52.583 real_cost = -150.049 UNI-EID_bnmx_TS4 costs 52.624 real_cost = -47.699 UNI-EID_bnmx_TS3-scwrl costs 50.686 real_cost = 7.350 UNI-EID_bnmx_TS3 costs 50.686 real_cost = 4.213 UNI-EID_bnmx_TS2-scwrl costs 49.776 real_cost = -106.365 UNI-EID_bnmx_TS2 costs 49.730 real_cost = -8.882 UNI-EID_bnmx_TS1-scwrl costs 51.859 real_cost = -152.821 UNI-EID_bnmx_TS1 costs 51.859 real_cost = -47.420 SPARKS2_TS5-scwrl costs 45.758 real_cost = -96.067 SPARKS2_TS5 costs 45.758 real_cost = -100.584 SPARKS2_TS4-scwrl costs 42.901 real_cost = -122.453 SPARKS2_TS4 costs 42.901 real_cost = -128.763 SPARKS2_TS3-scwrl costs 63.873 real_cost = -44.196 SPARKS2_TS3 costs 63.873 real_cost = -49.532 SPARKS2_TS2-scwrl costs 48.934 real_cost = -150.820 SPARKS2_TS2 costs 48.934 real_cost = -154.875 SPARKS2_TS1-scwrl costs 39.195 real_cost = -125.785 SPARKS2_TS1 costs 39.195 real_cost = -131.757 SP4_TS5-scwrl costs 47.095 real_cost = -97.370 SP4_TS5 costs 47.095 real_cost = -102.204 SP4_TS4-scwrl costs 62.734 real_cost = -51.949 SP4_TS4 costs 62.734 real_cost = -62.079 SP4_TS3-scwrl costs 39.454 real_cost = -122.839 SP4_TS3 costs 39.454 real_cost = -124.391 SP4_TS2-scwrl costs 48.934 real_cost = -150.820 SP4_TS2 costs 48.934 real_cost = -154.875 SP4_TS1-scwrl costs 39.195 real_cost = -125.785 SP4_TS1 costs 39.195 real_cost = -131.757 SP3_TS5-scwrl costs 58.861 real_cost = -52.871 SP3_TS5 costs 58.861 real_cost = -58.268 SP3_TS4-scwrl costs 47.095 real_cost = -97.370 SP3_TS4 costs 47.095 real_cost = -102.204 SP3_TS3-scwrl costs 39.454 real_cost = -122.839 SP3_TS3 costs 39.454 real_cost = -124.391 SP3_TS2-scwrl costs 49.282 real_cost = -151.539 SP3_TS2 costs 49.282 real_cost = -141.043 SP3_TS1-scwrl costs 39.195 real_cost = -125.785 SP3_TS1 costs 39.195 real_cost = -131.757 SAM_T06_server_TS5-scwrl costs 59.486 real_cost = -67.637 SAM_T06_server_TS5 costs 59.478 real_cost = -106.512 SAM_T06_server_TS4-scwrl costs 51.007 real_cost = -98.544 SAM_T06_server_TS4 costs 50.990 real_cost = -106.630 SAM_T06_server_TS3-scwrl costs 51.406 real_cost = -89.103 SAM_T06_server_TS3 costs 51.411 real_cost = -101.844 SAM_T06_server_TS2-scwrl costs 55.968 real_cost = -79.937 SAM_T06_server_TS2 costs 56.002 real_cost = -96.015 SAM_T06_server_TS1-scwrl costs 61.602 real_cost = -100.667 SAM_T06_server_TS1 costs 61.602 real_cost = -100.600 SAM-T99_AL5-scwrl costs 51.423 real_cost = -131.087 SAM-T99_AL5 costs 51.424 real_cost = -52.482 SAM-T99_AL4-scwrl costs 51.112 real_cost = -149.085 SAM-T99_AL4 costs 51.149 real_cost = -67.587 SAM-T99_AL3-scwrl costs 52.525 real_cost = -135.989 SAM-T99_AL3 costs 52.562 real_cost = -60.866 SAM-T99_AL2-scwrl costs 53.513 real_cost = -143.079 SAM-T99_AL2 costs 53.517 real_cost = -67.900 SAM-T99_AL1-scwrl costs 52.759 real_cost = -131.408 SAM-T99_AL1 costs 52.798 real_cost = -54.049 SAM-T02_AL5-scwrl costs 53.806 real_cost = -79.930 SAM-T02_AL5 costs 53.840 real_cost = 7.605 SAM-T02_AL4-scwrl costs 59.980 real_cost = -66.715 SAM-T02_AL4 costs 59.965 real_cost = 25.021 SAM-T02_AL3-scwrl costs 51.702 real_cost = -92.012 SAM-T02_AL3 costs 51.821 real_cost = 7.907 SAM-T02_AL2-scwrl costs 54.414 real_cost = -97.779 SAM-T02_AL2 costs 54.405 real_cost = -4.608 SAM-T02_AL1-scwrl costs 68.548 real_cost = -38.868 SAM-T02_AL1 costs 68.710 real_cost = 44.478 ROKKY_TS5-scwrl costs 56.842 real_cost = -117.546 ROKKY_TS5 costs 56.842 real_cost = -109.899 ROKKY_TS4-scwrl costs 50.701 real_cost = -66.938 ROKKY_TS4 costs 50.701 real_cost = -67.536 ROKKY_TS3-scwrl costs 68.195 real_cost = -47.515 ROKKY_TS3 costs 68.195 real_cost = -59.942 ROKKY_TS2-scwrl costs 50.861 real_cost = -142.366 ROKKY_TS2 costs 50.861 real_cost = -135.533 ROKKY_TS1-scwrl costs 53.614 real_cost = -117.326 ROKKY_TS1 costs 53.614 real_cost = -117.646 ROBETTA_TS5-scwrl costs 42.887 real_cost = -144.400 ROBETTA_TS5 costs 42.887 real_cost = -142.577 ROBETTA_TS4-scwrl costs 42.054 real_cost = -188.204 ROBETTA_TS4 costs 42.054 real_cost = -189.290 ROBETTA_TS3-scwrl costs 47.833 real_cost = -164.354 ROBETTA_TS3 costs 47.833 real_cost = -162.794 ROBETTA_TS2-scwrl costs 46.596 real_cost = -142.104 ROBETTA_TS2 costs 46.596 real_cost = -152.333 ROBETTA_TS1-scwrl costs 51.623 real_cost = -135.518 ROBETTA_TS1 costs 51.623 real_cost = -137.053 RAPTOR_TS5-scwrl costs 62.326 real_cost = -34.626 RAPTOR_TS5 costs 62.326 real_cost = -35.579 RAPTOR_TS4-scwrl costs 42.758 real_cost = -112.576 RAPTOR_TS4 costs 42.758 real_cost = -110.050 RAPTOR_TS3-scwrl costs 45.663 real_cost = -158.994 RAPTOR_TS3 costs 45.663 real_cost = -145.908 RAPTOR_TS2-scwrl costs 45.985 real_cost = -151.800 RAPTOR_TS2 costs 45.985 real_cost = -144.177 RAPTOR_TS1-scwrl costs 48.411 real_cost = -159.230 RAPTOR_TS1 costs 48.411 real_cost = -154.551 RAPTORESS_TS5-scwrl costs 75.365 real_cost = -7.733 RAPTORESS_TS5 costs 75.365 real_cost = -9.321 RAPTORESS_TS4-scwrl costs 50.877 real_cost = -94.968 RAPTORESS_TS4 costs 50.877 real_cost = -84.794 RAPTORESS_TS3-scwrl costs 53.461 real_cost = -148.557 RAPTORESS_TS3 costs 53.461 real_cost = -137.368 RAPTORESS_TS2-scwrl costs 50.940 real_cost = -147.768 RAPTORESS_TS2 costs 50.940 real_cost = -146.231 RAPTORESS_TS1-scwrl costs 55.665 real_cost = -146.808 RAPTORESS_TS1 costs 55.665 real_cost = -134.572 RAPTOR-ACE_TS5-scwrl costs 43.113 real_cost = -111.500 RAPTOR-ACE_TS5 costs 43.113 real_cost = -110.109 RAPTOR-ACE_TS4-scwrl costs 44.699 real_cost = -156.308 RAPTOR-ACE_TS4 costs 44.699 real_cost = -150.189 RAPTOR-ACE_TS3-scwrl costs 45.196 real_cost = -127.572 RAPTOR-ACE_TS3 costs 45.196 real_cost = -128.629 RAPTOR-ACE_TS2-scwrl costs 51.947 real_cost = -112.254 RAPTOR-ACE_TS2 costs 51.947 real_cost = -108.313 RAPTOR-ACE_TS1-scwrl costs 43.113 real_cost = -111.500 RAPTOR-ACE_TS1 costs 43.113 real_cost = -110.109 Pmodeller6_TS5-scwrl costs 45.653 real_cost = -136.316 Pmodeller6_TS5 costs 45.653 real_cost = -136.794 Pmodeller6_TS4-scwrl costs 45.653 real_cost = -136.316 Pmodeller6_TS4 costs 45.653 real_cost = -136.794 Pmodeller6_TS3-scwrl costs 45.653 real_cost = -136.316 Pmodeller6_TS3 costs 45.653 real_cost = -136.794 Pmodeller6_TS2-scwrl costs 46.532 real_cost = -124.146 Pmodeller6_TS2 costs 46.523 real_cost = -130.630 Pmodeller6_TS1-scwrl costs 42.887 real_cost = -144.400 Pmodeller6_TS1 costs 42.887 real_cost = -142.577 Phyre-2_TS5-scwrl costs 51.662 real_cost = -152.019 Phyre-2_TS5 costs 51.662 real_cost = -148.560 Phyre-2_TS4-scwrl costs 51.662 real_cost = -152.019 Phyre-2_TS4 costs 51.662 real_cost = -148.560 Phyre-2_TS3-scwrl costs 51.662 real_cost = -152.019 Phyre-2_TS3 costs 51.662 real_cost = -148.560 Phyre-2_TS2-scwrl costs 51.662 real_cost = -152.019 Phyre-2_TS2 costs 51.662 real_cost = -148.560 Phyre-2_TS1-scwrl costs 52.532 real_cost = -152.769 Phyre-2_TS1 costs 52.532 real_cost = -149.772 Phyre-1_TS1-scwrl costs 54.845 real_cost = -153.267 Phyre-1_TS1 costs 54.921 real_cost = -156.383 Pcons6_TS5-scwrl costs 51.551 real_cost = -85.758 Pcons6_TS5 costs 51.542 real_cost = -90.984 Pcons6_TS4-scwrl costs 43.450 real_cost = -111.437 Pcons6_TS4 costs 43.441 real_cost = -115.893 Pcons6_TS3-scwrl costs 45.653 real_cost = -136.316 Pcons6_TS3 costs 45.653 real_cost = -136.794 Pcons6_TS2-scwrl costs 45.653 real_cost = -136.316 Pcons6_TS2 costs 45.653 real_cost = -136.794 Pcons6_TS1-scwrl costs 48.791 real_cost = -114.017 Pcons6_TS1 costs 48.782 real_cost = -120.031 PROTINFO_TS5-scwrl costs 50.982 real_cost = -182.099 PROTINFO_TS5 costs 50.982 real_cost = -183.022 PROTINFO_TS4-scwrl costs 52.838 real_cost = -140.187 PROTINFO_TS4 costs 52.838 real_cost = -130.795 PROTINFO_TS3-scwrl costs 58.082 real_cost = -146.802 PROTINFO_TS3 costs 58.082 real_cost = -134.692 PROTINFO_TS2-scwrl costs 52.547 real_cost = -155.730 PROTINFO_TS2 costs 52.547 real_cost = -152.616 PROTINFO_TS1-scwrl costs 52.852 real_cost = -188.751 PROTINFO_TS1 costs 52.852 real_cost = -185.167 PROTINFO-AB_TS5-scwrl costs 55.741 real_cost = -191.840 PROTINFO-AB_TS5 costs 55.741 real_cost = -191.380 PROTINFO-AB_TS4-scwrl costs 51.897 real_cost = -196.924 PROTINFO-AB_TS4 costs 51.897 real_cost = -196.809 PROTINFO-AB_TS3-scwrl costs 55.006 real_cost = -188.157 PROTINFO-AB_TS3 costs 55.006 real_cost = -190.060 PROTINFO-AB_TS2-scwrl costs 53.327 real_cost = -191.310 PROTINFO-AB_TS2 costs 53.327 real_cost = -190.164 PROTINFO-AB_TS1-scwrl costs 52.852 real_cost = -188.751 PROTINFO-AB_TS1 costs 52.852 real_cost = -185.167 NN_PUT_lab_TS1-scwrl costs 39.195 real_cost = -125.785 NN_PUT_lab_TS1 costs 39.195 real_cost = -131.757 MetaTasser_TS2-scwrl costs 127.879 real_cost = 197.898 MetaTasser_TS2 costs 127.879 real_cost = 210.875 MetaTasser_TS1-scwrl costs 51.573 real_cost = -149.023 MetaTasser_TS1 costs 51.573 real_cost = -146.963 Ma-OPUS-server_TS5-scwrl costs 61.040 real_cost = -72.596 Ma-OPUS-server_TS5 costs 61.040 real_cost = -79.190 Ma-OPUS-server_TS4-scwrl costs 45.902 real_cost = -105.104 Ma-OPUS-server_TS4 costs 45.902 real_cost = -104.001 Ma-OPUS-server_TS3-scwrl costs 41.047 real_cost = -122.473 Ma-OPUS-server_TS3 costs 41.047 real_cost = -130.984 Ma-OPUS-server_TS2-scwrl costs 50.567 real_cost = -153.095 Ma-OPUS-server_TS2 costs 50.567 real_cost = -151.613 Ma-OPUS-server_TS1-scwrl costs 46.724 real_cost = -145.332 Ma-OPUS-server_TS1 costs 46.724 real_cost = -144.951 Ma-OPUS-server2_TS5-scwrl costs 61.040 real_cost = -72.596 Ma-OPUS-server2_TS5 costs 61.040 real_cost = -79.190 Ma-OPUS-server2_TS4-scwrl costs 45.902 real_cost = -105.104 Ma-OPUS-server2_TS4 costs 45.902 real_cost = -104.001 Ma-OPUS-server2_TS3-scwrl costs 41.047 real_cost = -122.473 Ma-OPUS-server2_TS3 costs 41.047 real_cost = -130.984 Ma-OPUS-server2_TS2-scwrl costs 49.375 real_cost = -159.094 Ma-OPUS-server2_TS2 costs 49.375 real_cost = -156.767 Ma-OPUS-server2_TS1-scwrl costs 46.356 real_cost = -143.321 Ma-OPUS-server2_TS1 costs 46.356 real_cost = -132.083 LOOPP_TS5-scwrl costs 55.816 real_cost = -73.625 LOOPP_TS5 costs 55.846 real_cost = -63.671 LOOPP_TS4-scwrl costs 48.485 real_cost = -122.764 LOOPP_TS4 costs 48.485 real_cost = -116.142 LOOPP_TS3-scwrl costs 52.482 real_cost = -145.411 LOOPP_TS3 costs 52.482 real_cost = -146.435 LOOPP_TS2-scwrl costs 54.638 real_cost = -93.924 LOOPP_TS2 costs 54.638 real_cost = -86.722 LOOPP_TS1-scwrl costs 55.561 real_cost = -82.417 LOOPP_TS1 costs 55.561 real_cost = -71.442 Huber-Torda-Server_TS5-scwrl costs 62.314 real_cost = -49.619 Huber-Torda-Server_TS5 costs 62.302 real_cost = -4.600 Huber-Torda-Server_TS4-scwrl costs 65.216 real_cost = -51.139 Huber-Torda-Server_TS4 costs 65.038 real_cost = 0.351 Huber-Torda-Server_TS3-scwrl costs 55.314 real_cost = -134.085 Huber-Torda-Server_TS3 costs 55.267 real_cost = -63.410 Huber-Torda-Server_TS2-scwrl costs 52.259 real_cost = -112.840 Huber-Torda-Server_TS2 costs 52.259 real_cost = -29.991 Huber-Torda-Server_TS1-scwrl costs 52.262 real_cost = -91.082 Huber-Torda-Server_TS1 costs 52.206 real_cost = -31.442 HHpred3_TS1-scwrl costs 45.351 real_cost = -158.194 HHpred3_TS1 costs 45.351 real_cost = -155.173 HHpred2_TS1-scwrl costs 45.351 real_cost = -158.194 HHpred2_TS1 costs 45.351 real_cost = -155.173 HHpred1_TS1-scwrl costs 50.020 real_cost = -161.822 HHpred1_TS1 costs 50.020 real_cost = -153.666 FUNCTION_TS5-scwrl costs 54.892 real_cost = -152.746 FUNCTION_TS5 costs 54.892 real_cost = -136.658 FUNCTION_TS4-scwrl costs 51.023 real_cost = -151.450 FUNCTION_TS4 costs 51.023 real_cost = -151.478 FUNCTION_TS3-scwrl costs 50.397 real_cost = -132.392 FUNCTION_TS3 costs 50.397 real_cost = -134.534 FUNCTION_TS2-scwrl costs 61.990 real_cost = -118.282 FUNCTION_TS2 costs 61.990 real_cost = -108.316 FUNCTION_TS1-scwrl costs 57.213 real_cost = -150.518 FUNCTION_TS1 costs 57.213 real_cost = -138.513 FUGUE_AL5-scwrl costs 106.240 real_cost = 282.607 FUGUE_AL5 costs 106.210 real_cost = 394.506 FUGUE_AL4-scwrl costs 74.679 real_cost = 151.331 FUGUE_AL4 costs 74.679 real_cost = 256.838 FUGUE_AL3-scwrl costs 50.798 real_cost = -99.963 FUGUE_AL3 costs 50.791 real_cost = -8.035 FUGUE_AL2-scwrl costs 55.720 real_cost = -83.861 FUGUE_AL2 costs 55.754 real_cost = 4.875 FUGUE_AL1-scwrl costs 56.614 real_cost = -115.271 FUGUE_AL1 costs 56.653 real_cost = -26.463 FUGMOD_TS5-scwrl costs 103.886 real_cost = 266.816 FUGMOD_TS5 costs 103.857 real_cost = 269.382 FUGMOD_TS4-scwrl costs 69.679 real_cost = 124.250 FUGMOD_TS4 costs 69.679 real_cost = 128.022 FUGMOD_TS3-scwrl costs 44.229 real_cost = -111.686 FUGMOD_TS3 costs 44.229 real_cost = -109.446 FUGMOD_TS2-scwrl costs 51.763 real_cost = -103.597 FUGMOD_TS2 costs 51.763 real_cost = -98.769 FUGMOD_TS1-scwrl costs 43.839 real_cost = -134.953 FUGMOD_TS1 costs 43.839 real_cost = -138.780 FPSOLVER-SERVER_TS5-scwrl costs 110.494 real_cost = 259.789 FPSOLVER-SERVER_TS5 costs 110.494 real_cost = 261.021 FPSOLVER-SERVER_TS4-scwrl costs 128.108 real_cost = 292.825 FPSOLVER-SERVER_TS4 costs 128.108 real_cost = 297.203 FPSOLVER-SERVER_TS3-scwrl costs 120.956 real_cost = 292.146 FPSOLVER-SERVER_TS3 costs 120.956 real_cost = 295.352 FPSOLVER-SERVER_TS2-scwrl costs 128.294 real_cost = 296.446 FPSOLVER-SERVER_TS2 costs 128.294 real_cost = 295.561 FPSOLVER-SERVER_TS1-scwrl costs 117.869 real_cost = 282.684 FPSOLVER-SERVER_TS1 costs 117.869 real_cost = 287.682 FORTE2_AL5-scwrl costs 52.044 real_cost = -157.291 FORTE2_AL5 costs 52.044 real_cost = -49.234 FORTE2_AL4-scwrl costs 51.061 real_cost = -133.072 FORTE2_AL4 costs 51.095 real_cost = -36.998 FORTE2_AL3-scwrl costs 51.576 real_cost = -72.666 FORTE2_AL3 costs 51.579 real_cost = 27.206 FORTE2_AL2-scwrl costs 50.905 real_cost = -136.281 FORTE2_AL2 costs 50.955 real_cost = -38.227 FORTE2_AL1-scwrl costs 50.285 real_cost = -105.544 FORTE2_AL1 costs 50.288 real_cost = -13.354 FORTE1_AL5-scwrl costs 51.061 real_cost = -133.072 FORTE1_AL5 costs 51.095 real_cost = -36.998 FORTE1_AL4-scwrl costs 51.576 real_cost = -72.666 FORTE1_AL4 costs 51.579 real_cost = 27.206 FORTE1_AL3-scwrl costs 51.061 real_cost = -133.072 FORTE1_AL3 costs 51.095 real_cost = -36.998 FORTE1_AL2-scwrl costs 50.285 real_cost = -105.544 FORTE1_AL2 costs 50.288 real_cost = -13.354 FORTE1_AL1-scwrl costs 51.642 real_cost = -154.887 FORTE1_AL1 costs 51.642 real_cost = -47.034 FOLDpro_TS5-scwrl costs 43.172 real_cost = -123.727 FOLDpro_TS5 costs 43.172 real_cost = -128.800 FOLDpro_TS4-scwrl costs 49.255 real_cost = -124.089 FOLDpro_TS4 costs 49.255 real_cost = -134.135 FOLDpro_TS3-scwrl costs 60.731 real_cost = -60.502 FOLDpro_TS3 costs 60.731 real_cost = -61.754 FOLDpro_TS2-scwrl costs 44.009 real_cost = -176.842 FOLDpro_TS2 costs 44.009 real_cost = -174.093 FOLDpro_TS1-scwrl costs 44.692 real_cost = -175.397 FOLDpro_TS1 costs 44.692 real_cost = -160.351 FAMS_TS5-scwrl costs 55.307 real_cost = -145.387 FAMS_TS5 costs 55.300 real_cost = -152.713 FAMS_TS4-scwrl costs 51.359 real_cost = -124.736 FAMS_TS4 costs 51.359 real_cost = -130.128 FAMS_TS3-scwrl costs 51.830 real_cost = -158.245 FAMS_TS3 costs 51.823 real_cost = -160.749 FAMS_TS2-scwrl costs 56.897 real_cost = -146.511 FAMS_TS2 costs 56.897 real_cost = -138.506 FAMS_TS1-scwrl costs 61.389 real_cost = -116.293 FAMS_TS1 costs 61.389 real_cost = -113.233 FAMSD_TS5-scwrl costs 57.960 real_cost = -114.267 FAMSD_TS5 costs 57.953 real_cost = -116.957 FAMSD_TS4-scwrl costs 53.480 real_cost = -105.626 FAMSD_TS4 costs 53.480 real_cost = -100.041 FAMSD_TS3-scwrl costs 53.662 real_cost = -124.980 FAMSD_TS3 costs 53.654 real_cost = -117.644 FAMSD_TS2-scwrl costs 48.179 real_cost = -70.899 FAMSD_TS2 costs 48.166 real_cost = -84.207 FAMSD_TS1-scwrl costs 56.897 real_cost = -146.511 FAMSD_TS1 costs 56.897 real_cost = -138.506 Distill_TS5-scwrl costs 233.039 real_cost = 251.684 Distill_TS4-scwrl costs 235.417 real_cost = 250.459 Distill_TS3-scwrl costs 233.792 real_cost = 245.443 Distill_TS2-scwrl costs 234.376 real_cost = 256.490 Distill_TS1-scwrl costs 236.236 real_cost = 244.755 CaspIta-FOX_TS5-scwrl costs 48.387 real_cost = -148.496 CaspIta-FOX_TS5 costs 48.387 real_cost = -161.595 CaspIta-FOX_TS4-scwrl costs 52.146 real_cost = -113.912 CaspIta-FOX_TS4 costs 52.146 real_cost = -112.802 CaspIta-FOX_TS3-scwrl costs 77.442 real_cost = -29.746 CaspIta-FOX_TS3 costs 77.514 real_cost = -42.492 CaspIta-FOX_TS2-scwrl costs 48.558 real_cost = -158.136 CaspIta-FOX_TS2 costs 48.558 real_cost = -159.446 CaspIta-FOX_TS1-scwrl costs 51.878 real_cost = -156.193 CaspIta-FOX_TS1 costs 51.878 real_cost = -152.240 CPHmodels_TS1-scwrl costs 60.214 real_cost = -125.306 CPHmodels_TS1 costs 60.210 real_cost = -125.487 CIRCLE_TS5-scwrl costs 51.830 real_cost = -158.245 CIRCLE_TS5 costs 51.823 real_cost = -160.749 CIRCLE_TS4-scwrl costs 49.487 real_cost = -149.128 CIRCLE_TS4 costs 49.480 real_cost = -152.481 CIRCLE_TS3-scwrl costs 55.307 real_cost = -145.387 CIRCLE_TS3 costs 55.300 real_cost = -152.713 CIRCLE_TS2-scwrl costs 55.806 real_cost = -151.567 CIRCLE_TS2 costs 55.788 real_cost = -152.724 CIRCLE_TS1-scwrl costs 51.359 real_cost = -124.736 CIRCLE_TS1 costs 51.359 real_cost = -130.128 Bilab-ENABLE_TS5-scwrl costs 49.405 real_cost = -46.325 Bilab-ENABLE_TS5 costs 49.405 real_cost = -46.325 Bilab-ENABLE_TS4-scwrl costs 49.405 real_cost = -43.050 Bilab-ENABLE_TS4 costs 49.405 real_cost = -43.955 Bilab-ENABLE_TS3-scwrl costs 49.570 real_cost = -48.276 Bilab-ENABLE_TS3 costs 49.570 real_cost = -48.050 Bilab-ENABLE_TS2-scwrl costs 49.570 real_cost = -50.692 Bilab-ENABLE_TS2 costs 49.570 real_cost = -50.692 Bilab-ENABLE_TS1-scwrl costs 49.327 real_cost = -42.778 Bilab-ENABLE_TS1 costs 49.327 real_cost = -42.778 BayesHH_TS1-scwrl costs 45.351 real_cost = -158.194 BayesHH_TS1 costs 45.351 real_cost = -155.173 ABIpro_TS5-scwrl costs 63.625 real_cost = 244.485 ABIpro_TS5 costs 63.625 real_cost = 244.898 ABIpro_TS4-scwrl costs 75.916 real_cost = 246.727 ABIpro_TS4 costs 75.916 real_cost = 246.730 ABIpro_TS3-scwrl costs 86.324 real_cost = 255.826 ABIpro_TS3 costs 86.324 real_cost = 255.826 ABIpro_TS2-scwrl costs 84.121 real_cost = 243.099 ABIpro_TS2 costs 84.121 real_cost = 243.067 ABIpro_TS1-scwrl costs 83.852 real_cost = 274.571 ABIpro_TS1 costs 83.852 real_cost = 274.571 3Dpro_TS5-scwrl costs 43.172 real_cost = -123.727 3Dpro_TS5 costs 43.172 real_cost = -128.800 3Dpro_TS4-scwrl costs 48.520 real_cost = -146.638 3Dpro_TS4 costs 48.520 real_cost = -146.841 3Dpro_TS3-scwrl costs 60.348 real_cost = -30.450 3Dpro_TS3 costs 60.348 real_cost = -37.109 3Dpro_TS2-scwrl costs 42.402 real_cost = -172.003 3Dpro_TS2 costs 42.402 real_cost = -177.773 3Dpro_TS1-scwrl costs 48.645 real_cost = -171.136 3Dpro_TS1 costs 48.645 real_cost = -166.509 3D-JIGSAW_TS5-scwrl costs 45.184 real_cost = -144.294 3D-JIGSAW_TS5 costs 45.179 real_cost = -139.456 3D-JIGSAW_TS4-scwrl costs 62.507 real_cost = -89.451 3D-JIGSAW_TS4 costs 62.507 real_cost = -80.479 3D-JIGSAW_TS3-scwrl costs 54.672 real_cost = -46.641 3D-JIGSAW_TS3 costs 54.673 real_cost = -36.384 3D-JIGSAW_TS2-scwrl costs 50.309 real_cost = -93.699 3D-JIGSAW_TS2 costs 50.296 real_cost = -94.538 3D-JIGSAW_TS1-scwrl costs 54.497 real_cost = -85.996 3D-JIGSAW_TS1 costs 54.497 real_cost = -72.993 3D-JIGSAW_RECOM_TS5-scwrl costs 46.053 real_cost = -144.656 3D-JIGSAW_RECOM_TS5 costs 46.048 real_cost = -146.140 3D-JIGSAW_RECOM_TS4-scwrl costs 43.151 real_cost = -178.865 3D-JIGSAW_RECOM_TS4 costs 43.146 real_cost = -178.484 3D-JIGSAW_RECOM_TS3-scwrl costs 44.394 real_cost = -178.346 3D-JIGSAW_RECOM_TS3 costs 44.386 real_cost = -181.707 3D-JIGSAW_RECOM_TS2-scwrl costs 45.678 real_cost = -162.737 3D-JIGSAW_RECOM_TS2 costs 45.673 real_cost = -164.060 3D-JIGSAW_RECOM_TS1-scwrl costs 52.870 real_cost = -150.195 3D-JIGSAW_RECOM_TS1 costs 52.862 real_cost = -152.723 3D-JIGSAW_POPULUS_TS5-scwrl costs 52.375 real_cost = -121.141 3D-JIGSAW_POPULUS_TS5 costs 52.366 real_cost = -125.975 3D-JIGSAW_POPULUS_TS4-scwrl costs 44.551 real_cost = -151.793 3D-JIGSAW_POPULUS_TS4 costs 44.546 real_cost = -156.196 3D-JIGSAW_POPULUS_TS3-scwrl costs 45.981 real_cost = -142.951 3D-JIGSAW_POPULUS_TS3 costs 45.977 real_cost = -147.722 3D-JIGSAW_POPULUS_TS2-scwrl costs 45.098 real_cost = -146.387 3D-JIGSAW_POPULUS_TS2 costs 45.088 real_cost = -150.189 3D-JIGSAW_POPULUS_TS1-scwrl costs 51.429 real_cost = -126.115 3D-JIGSAW_POPULUS_TS1 costs 51.420 real_cost = -130.894 dimer//dimer-1v2xA-from-try3 costs 46.523 real_cost = -158.951 dimer//dimer-1v2xA-from-try2 costs 49.731 real_cost = -156.928 dimer//dimer-1v2xA-from-try1 costs 52.528 real_cost = -153.558 dimer//try3-opt2.unpack costs 49.693 real_cost = -158.913 dimer//try3-opt2.unpack.gromacs0.repack-nonPC.unpack costs 46.749 real_cost = -159.111 dimer//try3-opt2.unpack.gromacs0.repack-nonPC costs 46.749 real_cost = -159.111 dimer//try3-opt2.unpack.gromacs0 costs 46.749 real_cost = -157.659 dimer//try3-opt2.repack-nonPC costs 49.693 real_cost = -160.041 dimer//try3-opt2 costs 49.693 real_cost = -158.913 dimer//try3-opt2.gromacs0 costs 48.795 real_cost = -150.978 dimer//try3-opt1 costs 49.927 real_cost = -158.755 dimer//try3-opt1-scwrl costs 49.927 real_cost = -162.311 dimer//try2-opt2.unpack costs 58.304 real_cost = -156.732 dimer//try2-opt2.unpack.gromacs0 costs 46.548 real_cost = -156.455 dimer//try2-opt2.repack-nonPC costs 58.304 real_cost = -159.067 dimer//try2-opt2 costs 58.304 real_cost = -156.732 dimer//try2-opt2.gromacs0 costs 71.780 real_cost = -146.173 dimer//try2-opt1 costs 56.510 real_cost = -154.095 dimer//try2-opt1-scwrl costs 56.510 real_cost = -158.508 dimer//try1-opt2.unpack costs 53.844 real_cost = -154.730 dimer//try1-opt2.unpack.gromacs0 costs 46.568 real_cost = -155.939 dimer//try1-opt2.repack-nonPC costs 53.844 real_cost = -158.222 dimer//try1-opt2 costs 53.844 real_cost = -154.730 dimer//try1-opt2.gromacs0 costs 47.884 real_cost = -151.310 dimer//try1-opt1 costs 52.382 real_cost = -151.768 dimer//try1-opt1-scwrl costs 52.382 real_cost = -156.679 T0332.try4-opt2.repack-nonPC.pdb.gz costs 49.327 real_cost = -158.010 T0332.try4-opt2.pdb.gz costs 49.327 real_cost = -157.077 T0332.try4-opt2.gromacs0.repack-nonPC.pdb.gz costs 46.320 real_cost = -156.436 T0332.try4-opt2.gromacs0.pdb.gz costs 46.320 real_cost = -156.346 T0332.try4-opt1.pdb.gz costs 49.453 real_cost = -155.835 T0332.try4-opt1-scwrl.pdb.gz costs 49.453 real_cost = -162.415 T0332.try3-opt2.repack-nonPC.pdb.gz costs 49.391 real_cost = -162.127 T0332.try3-opt2.pdb.gz costs 49.391 real_cost = -158.036 T0332.try3-opt2.gromacs0.repack-nonPC.pdb.gz costs 46.523 real_cost = -158.960 T0332.try3-opt2.gromacs0.pdb.gz costs 46.523 real_cost = -159.606 T0332.try3-opt1.pdb.gz costs 49.286 real_cost = -156.989 T0332.try3-opt1-scwrl.pdb.gz costs 49.286 real_cost = -161.153 T0332.try2-opt2.repack-nonPC.pdb.gz costs 49.731 real_cost = -158.413 T0332.try2-opt2.pdb.gz costs 49.731 real_cost = -156.806 T0332.try2-opt2.gromacs0.repack-nonPC.pdb.gz costs 46.343 real_cost = -155.998 T0332.try2-opt2.gromacs0.pdb.gz costs 46.343 real_cost = -154.323 T0332.try2-opt1.pdb.gz costs 49.400 real_cost = -157.325 T0332.try2-opt1-scwrl.pdb.gz costs 49.400 real_cost = -161.203 T0332.try1-opt2.repack-nonPC.pdb.gz costs 52.528 real_cost = -155.101 T0332.try1-opt2.pdb.gz costs 52.528 real_cost = -153.574 T0332.try1-opt2.gromacs0.repack-nonPC.pdb.gz costs 46.367 real_cost = -159.117 T0332.try1-opt2.gromacs0.pdb.gz costs 46.367 real_cost = -157.653 T0332.try1-opt1.pdb.gz costs 50.725 real_cost = -160.313 T0332.try1-opt1-scwrl.pdb.gz costs 50.725 real_cost = -160.156 ../model5.ts-submitted costs 52.623 real_cost = -101.847 ../model4.ts-submitted costs 49.391 real_cost = -157.915 ../model3.ts-submitted costs 49.731 real_cost = -156.796 ../model2.ts-submitted costs 49.693 real_cost = -158.744 ../model1.ts-submitted costs 46.749 real_cost = -159.342 align5 costs 111.754 real_cost = 160.048 align4 costs 53.070 real_cost = -127.559 align3 costs 49.949 real_cost = -116.878 align2 costs 56.907 real_cost = -117.324 align1 costs 51.963 real_cost = -114.921 T0332.try1-opt2.pdb costs 52.528 real_cost = -153.563 model5-scwrl costs 52.618 real_cost = -89.039 model5.ts-submitted costs 52.623 real_cost = -101.847 model4-scwrl costs 49.391 real_cost = -162.299 model4.ts-submitted costs 49.391 real_cost = -157.915 model3-scwrl costs 49.731 real_cost = -161.142 model3.ts-submitted costs 49.731 real_cost = -156.796 model2-scwrl costs 49.693 real_cost = -161.997 model2.ts-submitted costs 49.693 real_cost = -158.744 model1-scwrl costs 46.749 real_cost = -159.136 model1.ts-submitted costs 46.749 real_cost = -159.342 2ha8A costs 39.957 real_cost = -885.000 # command:CPU_time= 644.376 sec, elapsed time= 843.649 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/T0332'