make[1]: Entering directory `/projects/compbio/experiments/protein-predict/casp7/T0340' /projects/compbio/experiments/protein-predict/casp7/starter-directory/Make.main:725: SECONDARY_TARGET = T0340.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/T0340.} ;\ 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/T0340/ -e s/START_COL/1/ \ -e s/COSTFCN/anglevector/ \ -e s/_domain// \ -e s/read-pdb/read-pdb+servers/ \ -e s/REAL_PDB/2he4A/ \ < /projects/compbio/experiments/protein-predict/casp7/starter-directory/evaluate.under \ | nice -2 /cse/grads/jarchie/projects/cvs/karplus/undertaker/undertaker # command:# Seed set to 1183307493 # 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= 5.607 sec, elapsed time= 5.628 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= 5.673 sec, elapsed time= 5.711 sec. # command:# Prefix for input files set to # command:# Making conformation for sequence T0340 numbered 1 through 90 Created new target T0340 from T0340.a2m # command:# command:# No conformations to remove in PopConform # command:# cleared Id set # command:# command:2he4A expands to /projects/compbio/data/pdb/2he4.pdb.gz 2he4A:Skipped atom 86, because occupancy 0.5 <= existing 0.500 in 2he4A Skipped atom 88, because occupancy 0.500 <= existing 0.500 in 2he4A Skipped atom 90, because occupancy 0.500 <= existing 0.500 in 2he4A Skipped atom 92, because occupancy 0.500 <= existing 0.500 in 2he4A Skipped atom 94, because occupancy 0.500 <= existing 0.500 in 2he4A Skipped atom 96, because occupancy 0.500 <= existing 0.500 in 2he4A Skipped atom 98, because occupancy 0.500 <= existing 0.500 in 2he4A Skipped atom 352, because occupancy 0.500 <= existing 0.500 in 2he4A Skipped atom 354, because occupancy 0.500 <= existing 0.500 in 2he4A Skipped atom 356, because occupancy 0.500 <= existing 0.500 in 2he4A Skipped atom 358, because occupancy 0.500 <= existing 0.500 in 2he4A Skipped atom 413, because occupancy 0.500 <= existing 0.500 in 2he4A Skipped atom 416, because occupancy 0.500 <= existing 0.500 in 2he4A Skipped atom 450, because occupancy 0.500 <= existing 0.500 in 2he4A Skipped atom 452, because occupancy 0.500 <= existing 0.500 in 2he4A Skipped atom 454, because occupancy 0.500 <= existing 0.500 in 2he4A Skipped atom 456, because occupancy 0.500 <= existing 0.500 in 2he4A Skipped atom 458, because occupancy 0.500 <= existing 0.500 in 2he4A Skipped atom 554, because occupancy 0.500 <= existing 0.500 in 2he4A Skipped atom 556, because occupancy 0.500 <= existing 0.500 in 2he4A Skipped atom 626, because occupancy 0.500 <= existing 0.500 in 2he4A Skipped atom 628, because occupancy 0.500 <= existing 0.500 in 2he4A Skipped atom 630, because occupancy 0.500 <= existing 0.500 in 2he4A Skipped atom 632, because occupancy 0.500 <= existing 0.500 in 2he4A Skipped atom 634, because occupancy 0.500 <= existing 0.500 in 2he4A Skipped atom 636, because occupancy 0.500 <= existing 0.500 in 2he4A Skipped atom 638, because occupancy 0.500 <= existing 0.500 in 2he4A Skipped atom 698, because occupancy 0.400 <= existing 0.600 in 2he4A Skipped atom 700, because occupancy 0.400 <= existing 0.600 in 2he4A Skipped atom 702, because occupancy 0.400 <= existing 0.600 in 2he4A Skipped atom 704, because occupancy 0.400 <= existing 0.600 in 2he4A Skipped atom 706, because occupancy 0.400 <= existing 0.600 in 2he4A Skipped atom 708, because occupancy 0.400 <= existing 0.600 in 2he4A Skipped atom 710, because occupancy 0.400 <= existing 0.600 in 2he4A Read 90 residues and 685 atoms. # choosing archetypes in rotamer library # WARNING: incomplete conformation T0340 can't currently be optimized by undertaker # copying to AlignedFragments data structure # command:# Saving current conformation as real # command:# Prefix for output files set to decoys/ # command:# SetRealCost created real_cost = # ( 50.000 * real_hbond + 50.000 * real_hbond_u + 50.000 * decoy_hbond + 50.000 * decoy_hbond_u + 10.000 * real_NO_hbond + 10.000 * real_NO_hbond_u + 10.000 * decoy_NO_hbond + 10.000 * decoy_NO_hbond_u + 10.000 * knot + 200.000 * clens + 0.000 * rmsd + 35.000 * log_rmsd + 0.000 * rmsd_ca + 30.000 * log_rmsd_ca + 1.000 * GDT + 1.000 * smooth_GDT + 0.200 * missing_atoms ) # command:# SetCost created cost = # ) # command:# reading script from file anglevector.costfcn # Prefix for input files set to /projects/compbio/lib/alphabet/ # Read 2 alphabets from anglevector.alphabet # Prefix for input files set to # CreateCombinedNNet created CombinedNNet bys_t2k # CreateCombinedNNet created CombinedNNet bys_t04 # CreateCombinedNNet created CombinedNNet bys_t06 # CreateCombinedNNet created CombinedNNet bys_mean # created predicted AngleVectorPredCostFcn pred_bys_t2k # created predicted AngleVectorPredCostFcn pred_bys_t04 # created predicted AngleVectorPredCostFcn pred_bys_t06 # created predicted AngleVectorPredCostFcn pred_bys_mean # CreateCombinedNNet created CombinedNNet pb_t2k # CreateCombinedNNet created CombinedNNet pb_t04 # CreateCombinedNNet created CombinedNNet pb_t06 # CreateCombinedNNet created CombinedNNet pb_mean # created predicted AngleVectorPredCostFcn pred_pb_t2k # created predicted AngleVectorPredCostFcn pred_pb_t04 # created predicted AngleVectorPredCostFcn pred_pb_t06 # created predicted AngleVectorPredCostFcn pred_pb_mean # SetCost created cost = # ( 5.000 * bystroff + 5.000 * pred_bys_t2k + 5.000 * pred_bys_t04 + 5.000 * pred_bys_t06 + 5.000 * pred_bys_mean + 5.000 * pred_pb_t2k + 5.000 * pred_pb_t04 + 5.000 * pred_pb_t06 + 5.000 * pred_pb_mean ) # command:CPU_time= 10.001 sec, elapsed time= 10.140 sec. # command:# Prefix for input files set to # command:# ReadConformPDB reading from PDB file model1.ts-submitted looking for model 1 # Found a chain break before 85 # copying to AlignedFragments data structure # command:# fraction of real conformation used = 1.000 # GDT_score = -88.333 # GDT_score(maxd=8.000,maxw=2.900)= -90.238 # GDT_score(maxd=8.000,maxw=3.200)= -88.595 # GDT_score(maxd=8.000,maxw=3.500)= -86.556 # GDT_score(maxd=10.000,maxw=3.800)= -87.664 # GDT_score(maxd=10.000,maxw=4.000)= -86.157 # GDT_score(maxd=10.000,maxw=4.200)= -84.525 # GDT_score(maxd=12.000,maxw=4.300)= -86.659 # GDT_score(maxd=12.000,maxw=4.500)= -85.074 # GDT_score(maxd=12.000,maxw=4.700)= -83.462 # GDT_score(maxd=14.000,maxw=5.200)= -81.836 # GDT_score(maxd=14.000,maxw=5.500)= -79.257 # command:# Prefix for output files set to # command:Warning: Couldn't open file T0340.model1-real.pdb for output Error: Couldn't open file T0340.model1-real.pdb for output superimposing iter= 0 total_weight= 1044.000 rmsd (weighted)= 2.972 (unweighted)= 6.946 superimposing iter= 1 total_weight= 4558.051 rmsd (weighted)= 0.899 (unweighted)= 6.925 superimposing iter= 2 total_weight= 1885.321 rmsd (weighted)= 0.521 (unweighted)= 6.926 superimposing iter= 3 total_weight= 1003.557 rmsd (weighted)= 0.424 (unweighted)= 6.928 superimposing iter= 4 total_weight= 795.617 rmsd (weighted)= 0.389 (unweighted)= 6.930 superimposing iter= 5 total_weight= 743.523 rmsd (weighted)= 0.370 (unweighted)= 6.932 EXPDTA model1.ts-submitted MODEL 1 REMARK 44 REMARK 44 model 1 is called model1.ts-submitted ATOM 1 N SER A 1 16.849 35.599 1.134 1.00 0.00 ATOM 2 CA SER A 1 18.032 36.489 1.311 1.00 0.00 ATOM 3 CB SER A 1 19.069 36.231 0.214 1.00 0.00 ATOM 4 OG SER A 1 19.628 34.936 0.340 1.00 0.00 ATOM 5 O SER A 1 17.995 38.747 2.126 1.00 0.00 ATOM 6 C SER A 1 17.634 37.967 1.246 1.00 0.00 ATOM 7 N MET A 2 16.884 38.364 0.214 1.00 0.00 ATOM 8 CA MET A 2 16.405 39.734 0.082 1.00 0.00 ATOM 9 CB MET A 2 15.262 39.502 -1.237 1.00 0.00 ATOM 10 CG MET A 2 15.039 40.554 -2.282 1.00 0.00 ATOM 11 SD MET A 2 13.917 41.847 -1.650 1.00 0.00 ATOM 12 CE MET A 2 12.261 41.023 -1.869 1.00 0.00 ATOM 13 O MET A 2 15.563 41.359 1.590 1.00 0.00 ATOM 14 C MET A 2 15.590 40.171 1.286 1.00 0.00 ATOM 15 N LEU A 3 14.972 39.218 2.004 1.00 0.00 ATOM 16 CA LEU A 3 14.099 39.582 3.118 1.00 0.00 ATOM 17 CB LEU A 3 12.683 39.009 2.857 1.00 0.00 ATOM 18 CG LEU A 3 11.870 39.534 1.673 1.00 0.00 ATOM 19 CD1 LEU A 3 10.676 38.623 1.445 1.00 0.00 ATOM 20 CD2 LEU A 3 11.411 40.959 1.944 1.00 0.00 ATOM 21 O LEU A 3 15.390 38.136 4.557 1.00 0.00 ATOM 22 C LEU A 3 14.689 39.146 4.435 1.00 0.00 ATOM 23 N ARG A 4 14.391 39.907 5.472 1.00 0.00 ATOM 24 CA ARG A 4 14.888 39.633 6.810 1.00 0.00 ATOM 25 CB ARG A 4 14.686 40.886 7.703 1.00 0.00 ATOM 26 CG ARG A 4 13.307 40.945 8.338 1.00 0.00 ATOM 27 CD ARG A 4 13.044 42.296 8.991 1.00 0.00 ATOM 28 NE ARG A 4 11.832 42.282 9.808 1.00 0.00 ATOM 29 CZ ARG A 4 10.598 42.159 9.321 1.00 0.00 ATOM 30 NH1 ARG A 4 10.402 42.042 8.012 1.00 0.00 ATOM 31 NH2 ARG A 4 9.552 42.157 10.146 1.00 0.00 ATOM 32 O ARG A 4 13.121 38.048 7.188 1.00 0.00 ATOM 33 C ARG A 4 14.283 38.365 7.434 1.00 0.00 ATOM 34 N PRO A 5 15.012 37.708 8.324 1.00 0.00 ATOM 35 CA PRO A 5 14.455 36.533 9.006 1.00 0.00 ATOM 36 CB PRO A 5 15.538 36.172 9.998 1.00 0.00 ATOM 37 CG PRO A 5 16.810 36.488 9.257 1.00 0.00 ATOM 38 CD PRO A 5 16.500 37.819 8.629 1.00 0.00 ATOM 39 O PRO A 5 13.176 38.064 10.307 1.00 0.00 ATOM 40 C PRO A 5 13.291 36.911 9.877 1.00 0.00 ATOM 41 N ARG A 6 12.337 35.981 10.023 1.00 0.00 ATOM 42 CA ARG A 6 11.144 36.178 10.827 1.00 0.00 ATOM 43 CB ARG A 6 9.934 36.081 9.940 1.00 0.00 ATOM 44 CG ARG A 6 9.856 37.312 9.023 1.00 0.00 ATOM 45 CD ARG A 6 8.491 37.506 8.403 1.00 0.00 ATOM 46 NE ARG A 6 8.247 38.721 7.659 1.00 0.00 ATOM 47 CZ ARG A 6 8.723 39.145 6.509 1.00 0.00 ATOM 48 NH1 ARG A 6 9.592 38.412 5.838 1.00 0.00 ATOM 49 NH2 ARG A 6 8.313 40.325 6.044 1.00 0.00 ATOM 50 O ARG A 6 11.136 33.852 11.343 1.00 0.00 ATOM 51 C ARG A 6 10.946 34.989 11.757 1.00 0.00 ATOM 52 N LEU A 7 10.501 35.249 12.982 1.00 0.00 ATOM 53 CA LEU A 7 10.264 34.168 13.942 1.00 0.00 ATOM 54 CB LEU A 7 10.696 34.585 15.350 1.00 0.00 ATOM 55 CG LEU A 7 12.175 34.926 15.535 1.00 0.00 ATOM 56 CD1 LEU A 7 12.446 35.395 16.955 1.00 0.00 ATOM 57 CD2 LEU A 7 13.043 33.707 15.262 1.00 0.00 ATOM 58 O LEU A 7 7.959 34.635 14.392 1.00 0.00 ATOM 59 C LEU A 7 8.792 33.800 14.033 1.00 0.00 ATOM 60 N CYS A 8 8.491 32.524 13.796 1.00 0.00 ATOM 61 CA CYS A 8 7.129 32.002 13.876 1.00 0.00 ATOM 62 CB CYS A 8 6.794 31.247 12.588 1.00 0.00 ATOM 63 SG CYS A 8 6.869 32.257 11.087 1.00 0.00 ATOM 64 O CYS A 8 7.855 30.132 15.174 1.00 0.00 ATOM 65 C CYS A 8 7.036 31.046 15.057 1.00 0.00 ATOM 66 N HIS A 9 6.158 31.343 16.007 1.00 0.00 ATOM 67 CA HIS A 9 6.015 30.504 17.188 1.00 0.00 ATOM 68 CB HIS A 9 5.874 31.351 18.453 1.00 0.00 ATOM 69 CG HIS A 9 7.003 32.303 18.691 1.00 0.00 ATOM 70 CD2 HIS A 9 7.513 33.299 17.928 1.00 0.00 ATOM 71 ND1 HIS A 9 7.717 32.318 19.869 1.00 0.00 ATOM 72 CE1 HIS A 9 8.635 33.268 19.813 1.00 0.00 ATOM 73 NE2 HIS A 9 8.532 33.877 18.645 1.00 0.00 ATOM 74 O HIS A 9 3.645 30.218 17.105 1.00 0.00 ATOM 75 C HIS A 9 4.747 29.673 17.051 1.00 0.00 ATOM 76 N LEU A 10 4.909 28.367 16.928 1.00 0.00 ATOM 77 CA LEU A 10 3.767 27.475 16.737 1.00 0.00 ATOM 78 CB LEU A 10 4.049 26.427 15.660 1.00 0.00 ATOM 79 CG LEU A 10 3.823 26.868 14.211 1.00 0.00 ATOM 80 CD1 LEU A 10 4.683 28.075 13.875 1.00 0.00 ATOM 81 CD2 LEU A 10 4.180 25.746 13.246 1.00 0.00 ATOM 82 O LEU A 10 4.246 25.890 18.514 1.00 0.00 ATOM 83 C LEU A 10 3.409 26.629 17.958 1.00 0.00 ATOM 84 N ARG A 11 2.132 26.646 18.354 1.00 0.00 ATOM 85 CA ARG A 11 1.602 25.811 19.402 1.00 0.00 ATOM 86 CB ARG A 11 0.555 26.603 20.170 1.00 0.00 ATOM 87 CG ARG A 11 1.132 27.836 20.843 1.00 0.00 ATOM 88 CD ARG A 11 0.151 28.623 21.698 1.00 0.00 ATOM 89 NE ARG A 11 -0.849 29.263 20.854 1.00 0.00 ATOM 90 CZ ARG A 11 -2.042 28.761 20.579 1.00 0.00 ATOM 91 NH1 ARG A 11 -2.425 27.599 21.102 1.00 0.00 ATOM 92 NH2 ARG A 11 -2.864 29.435 19.772 1.00 0.00 ATOM 93 O ARG A 11 0.197 24.566 17.924 1.00 0.00 ATOM 94 C ARG A 11 1.077 24.520 18.778 1.00 0.00 ATOM 95 N LYS A 12 1.603 23.367 19.196 1.00 0.00 ATOM 96 CA LYS A 12 1.165 22.114 18.580 1.00 0.00 ATOM 97 CB LYS A 12 1.913 20.924 19.190 1.00 0.00 ATOM 98 CG LYS A 12 1.564 19.586 18.564 1.00 0.00 ATOM 99 CD LYS A 12 2.389 18.462 19.167 1.00 0.00 ATOM 100 CE LYS A 12 2.059 17.125 18.525 1.00 0.00 ATOM 101 NZ LYS A 12 2.841 16.010 19.124 1.00 0.00 ATOM 102 O LYS A 12 -0.819 21.921 19.930 1.00 0.00 ATOM 103 C LYS A 12 -0.321 21.858 18.798 1.00 0.00 ATOM 104 N GLY A 13 -0.990 21.450 17.720 1.00 0.00 ATOM 105 CA GLY A 13 -2.422 21.212 17.751 1.00 0.00 ATOM 106 O GLY A 13 -2.040 18.858 17.824 1.00 0.00 ATOM 107 C GLY A 13 -2.870 19.765 17.772 1.00 0.00 ATOM 108 N PRO A 14 -4.192 19.520 17.663 1.00 0.00 ATOM 109 CA PRO A 14 -4.750 18.167 17.685 1.00 0.00 ATOM 110 CB PRO A 14 -6.208 18.360 17.267 1.00 0.00 ATOM 111 CG PRO A 14 -6.542 19.745 17.709 1.00 0.00 ATOM 112 CD PRO A 14 -5.315 20.572 17.456 1.00 0.00 ATOM 113 O PRO A 14 -3.540 16.162 17.312 1.00 0.00 ATOM 114 C PRO A 14 -4.032 17.168 16.798 1.00 0.00 ATOM 115 N GLN A 15 -3.715 17.556 15.567 1.00 0.00 ATOM 116 CA GLN A 15 -3.022 16.653 14.660 1.00 0.00 ATOM 117 CB GLN A 15 -3.734 16.665 13.319 1.00 0.00 ATOM 118 CG GLN A 15 -5.166 16.194 13.405 1.00 0.00 ATOM 119 CD GLN A 15 -5.299 14.762 13.866 1.00 0.00 ATOM 120 OE1 GLN A 15 -4.647 13.879 13.357 1.00 0.00 ATOM 121 NE2 GLN A 15 -6.159 14.574 14.885 1.00 0.00 ATOM 122 O GLN A 15 -0.893 16.308 13.608 1.00 0.00 ATOM 123 C GLN A 15 -1.537 16.953 14.437 1.00 0.00 ATOM 124 N GLY A 16 -0.995 17.902 15.139 1.00 0.00 ATOM 125 CA GLY A 16 0.405 18.244 14.966 1.00 0.00 ATOM 126 O GLY A 16 -0.118 20.560 15.235 1.00 0.00 ATOM 127 C GLY A 16 0.574 19.722 14.656 1.00 0.00 ATOM 128 N TYR A 17 1.630 20.044 13.919 1.00 0.00 ATOM 129 CA TYR A 17 1.904 21.429 13.538 1.00 0.00 ATOM 130 CB TYR A 17 3.291 21.718 13.255 1.00 0.00 ATOM 131 CG TYR A 17 4.130 21.699 14.495 1.00 0.00 ATOM 132 CD1 TYR A 17 5.275 20.923 14.577 1.00 0.00 ATOM 133 CD2 TYR A 17 3.785 22.458 15.619 1.00 0.00 ATOM 134 CE1 TYR A 17 6.065 20.908 15.713 1.00 0.00 ATOM 135 CE2 TYR A 17 4.575 22.448 16.752 1.00 0.00 ATOM 136 CZ TYR A 17 5.716 21.676 16.809 1.00 0.00 ATOM 137 OH TYR A 17 6.444 21.709 17.940 1.00 0.00 ATOM 138 O TYR A 17 0.672 22.826 12.046 1.00 0.00 ATOM 139 C TYR A 17 1.223 21.748 12.214 1.00 0.00 ATOM 140 N GLY A 18 1.159 20.777 11.321 1.00 0.00 ATOM 141 CA GLY A 18 0.442 21.009 10.085 1.00 0.00 ATOM 142 O GLY A 18 0.718 22.613 8.361 1.00 0.00 ATOM 143 C GLY A 18 1.227 21.681 8.988 1.00 0.00 ATOM 144 N PHE A 19 2.446 21.232 8.730 1.00 0.00 ATOM 145 CA PHE A 19 3.180 21.784 7.608 1.00 0.00 ATOM 146 CB PHE A 19 4.042 22.996 7.965 1.00 0.00 ATOM 147 CG PHE A 19 5.147 22.690 8.937 1.00 0.00 ATOM 148 CD1 PHE A 19 6.407 22.338 8.486 1.00 0.00 ATOM 149 CD2 PHE A 19 4.925 22.750 10.302 1.00 0.00 ATOM 150 CE1 PHE A 19 7.421 22.057 9.380 1.00 0.00 ATOM 151 CE2 PHE A 19 5.939 22.469 11.197 1.00 0.00 ATOM 152 CZ PHE A 19 7.184 22.122 10.741 1.00 0.00 ATOM 153 O PHE A 19 4.217 19.635 7.758 1.00 0.00 ATOM 154 C PHE A 19 4.105 20.688 7.116 1.00 0.00 ATOM 155 N ASN A 20 4.633 20.873 5.911 1.00 0.00 ATOM 156 CA ASN A 20 5.498 19.901 5.265 1.00 0.00 ATOM 157 CB ASN A 20 4.676 19.023 4.274 1.00 0.00 ATOM 158 CG ASN A 20 3.301 18.630 4.782 1.00 0.00 ATOM 159 ND2 ASN A 20 2.261 19.092 4.090 1.00 0.00 ATOM 160 OD1 ASN A 20 3.180 17.931 5.776 1.00 0.00 ATOM 161 O ASN A 20 6.768 21.580 4.153 1.00 0.00 ATOM 162 C ASN A 20 6.798 20.507 4.772 1.00 0.00 ATOM 163 N LEU A 21 7.934 19.709 5.022 1.00 0.00 ATOM 164 CA LEU A 21 9.264 20.139 4.613 1.00 0.00 ATOM 165 CB LEU A 21 10.229 20.018 5.793 1.00 0.00 ATOM 166 CG LEU A 21 9.875 20.824 7.045 1.00 0.00 ATOM 167 CD1 LEU A 21 10.846 20.518 8.174 1.00 0.00 ATOM 168 CD2 LEU A 21 9.940 22.317 6.757 1.00 0.00 ATOM 169 O LEU A 21 9.807 18.065 3.556 1.00 0.00 ATOM 170 C LEU A 21 9.891 19.292 3.519 1.00 0.00 ATOM 171 N HIS A 22 10.712 19.989 2.709 1.00 0.00 ATOM 172 CA HIS A 22 11.461 19.323 1.657 1.00 0.00 ATOM 173 CB HIS A 22 10.671 19.220 0.370 1.00 0.00 ATOM 174 CG HIS A 22 11.326 18.330 -0.641 1.00 0.00 ATOM 175 CD2 HIS A 22 12.008 18.616 -1.777 1.00 0.00 ATOM 176 ND1 HIS A 22 11.272 16.952 -0.566 1.00 0.00 ATOM 177 CE1 HIS A 22 11.878 16.428 -1.618 1.00 0.00 ATOM 178 NE2 HIS A 22 12.334 17.418 -2.369 1.00 0.00 ATOM 179 O HIS A 22 12.588 21.422 1.497 1.00 0.00 ATOM 180 C HIS A 22 12.604 20.222 1.238 1.00 0.00 ATOM 181 N SER A 23 13.618 19.630 0.619 1.00 0.00 ATOM 182 CA SER A 23 14.747 20.419 0.169 1.00 0.00 ATOM 183 CB SER A 23 15.950 19.507 -0.078 1.00 0.00 ATOM 184 OG SER A 23 15.753 18.702 -1.227 1.00 0.00 ATOM 185 O SER A 23 13.250 21.122 -1.554 1.00 0.00 ATOM 186 C SER A 23 14.393 21.169 -1.101 1.00 0.00 ATOM 187 N ASP A 24 15.338 21.936 -1.630 1.00 0.00 ATOM 188 CA ASP A 24 15.092 22.663 -2.865 1.00 0.00 ATOM 189 CB ASP A 24 15.267 24.160 -2.634 1.00 0.00 ATOM 190 CG ASP A 24 14.892 25.000 -3.862 1.00 0.00 ATOM 191 OD1 ASP A 24 15.303 24.671 -5.034 1.00 0.00 ATOM 192 OD2 ASP A 24 14.216 26.052 -3.722 1.00 0.00 ATOM 193 O ASP A 24 17.379 22.191 -3.389 1.00 0.00 ATOM 194 C ASP A 24 16.248 22.436 -3.815 1.00 0.00 ATOM 195 N LYS A 25 15.945 22.513 -5.105 1.00 0.00 ATOM 196 CA LYS A 25 16.932 22.306 -6.151 1.00 0.00 ATOM 197 CB LYS A 25 16.302 22.551 -7.518 1.00 0.00 ATOM 198 CG LYS A 25 17.197 22.183 -8.691 1.00 0.00 ATOM 199 CD LYS A 25 16.405 22.178 -9.994 1.00 0.00 ATOM 200 CE LYS A 25 17.270 21.768 -11.181 1.00 0.00 ATOM 201 NZ LYS A 25 18.357 22.751 -11.464 1.00 0.00 ATOM 202 O LYS A 25 17.843 24.500 -5.806 1.00 0.00 ATOM 203 C LYS A 25 18.075 23.302 -5.996 1.00 0.00 ATOM 204 N SER A 26 19.302 22.785 -5.996 1.00 0.00 ATOM 205 CA SER A 26 20.477 23.626 -5.859 1.00 0.00 ATOM 206 CB SER A 26 20.482 24.702 -6.969 1.00 0.00 ATOM 207 OG SER A 26 20.735 24.160 -8.256 1.00 0.00 ATOM 208 O SER A 26 21.134 25.486 -4.464 1.00 0.00 ATOM 209 C SER A 26 20.558 24.406 -4.533 1.00 0.00 ATOM 210 N ARG A 27 20.032 23.743 -3.424 1.00 0.00 ATOM 211 CA ARG A 27 20.121 24.292 -2.072 1.00 0.00 ATOM 212 CB ARG A 27 18.721 24.720 -1.515 1.00 0.00 ATOM 213 CG ARG A 27 18.035 25.707 -2.421 1.00 0.00 ATOM 214 CD ARG A 27 18.884 26.956 -2.603 1.00 0.00 ATOM 215 NE ARG A 27 18.038 28.078 -3.027 1.00 0.00 ATOM 216 CZ ARG A 27 18.444 29.350 -3.038 1.00 0.00 ATOM 217 NH1 ARG A 27 19.707 29.665 -2.694 1.00 0.00 ATOM 218 NH2 ARG A 27 17.567 30.325 -3.269 1.00 0.00 ATOM 219 O ARG A 27 20.197 22.048 -1.198 1.00 0.00 ATOM 220 C ARG A 27 20.451 23.243 -1.011 1.00 0.00 ATOM 221 N PRO A 28 21.007 23.700 0.106 1.00 0.00 ATOM 222 CA PRO A 28 21.405 22.818 1.203 1.00 0.00 ATOM 223 CB PRO A 28 23.030 23.423 1.300 1.00 0.00 ATOM 224 CG PRO A 28 22.534 24.835 1.534 1.00 0.00 ATOM 225 CD PRO A 28 21.443 24.991 0.529 1.00 0.00 ATOM 226 O PRO A 28 20.894 21.991 3.396 1.00 0.00 ATOM 227 C PRO A 28 20.527 22.694 2.445 1.00 0.00 ATOM 228 N GLY A 29 19.387 23.379 2.447 1.00 0.00 ATOM 229 CA GLY A 29 18.533 23.369 3.622 1.00 0.00 ATOM 230 O GLY A 29 16.816 22.401 2.222 1.00 0.00 ATOM 231 C GLY A 29 17.132 22.880 3.316 1.00 0.00 ATOM 232 N GLN A 30 16.288 22.994 4.337 1.00 0.00 ATOM 233 CA GLN A 30 14.899 22.567 4.246 1.00 0.00 ATOM 234 CB GLN A 30 14.485 21.820 5.517 1.00 0.00 ATOM 235 CG GLN A 30 15.297 20.563 5.789 1.00 0.00 ATOM 236 CD GLN A 30 15.132 19.516 4.704 1.00 0.00 ATOM 237 OE1 GLN A 30 14.014 19.132 4.365 1.00 0.00 ATOM 238 NE2 GLN A 30 16.250 19.050 4.158 1.00 0.00 ATOM 239 O GLN A 30 14.153 24.801 4.686 1.00 0.00 ATOM 240 C GLN A 30 13.956 23.750 4.082 1.00 0.00 ATOM 241 N TYR A 31 12.923 23.546 3.266 1.00 0.00 ATOM 242 CA TYR A 31 11.926 24.566 2.964 1.00 0.00 ATOM 243 CB TYR A 31 12.027 24.990 1.498 1.00 0.00 ATOM 244 CG TYR A 31 13.357 25.610 1.132 1.00 0.00 ATOM 245 CD1 TYR A 31 14.410 24.822 0.684 1.00 0.00 ATOM 246 CD2 TYR A 31 13.554 26.982 1.231 1.00 0.00 ATOM 247 CE1 TYR A 31 15.629 25.378 0.344 1.00 0.00 ATOM 248 CE2 TYR A 31 14.767 27.556 0.896 1.00 0.00 ATOM 249 CZ TYR A 31 15.805 26.741 0.451 1.00 0.00 ATOM 250 OH TYR A 31 17.019 27.298 0.115 1.00 0.00 ATOM 251 O TYR A 31 10.304 22.816 3.185 1.00 0.00 ATOM 252 C TYR A 31 10.531 24.029 3.205 1.00 0.00 ATOM 253 N ILE A 32 9.587 24.932 3.433 1.00 0.00 ATOM 254 CA ILE A 32 8.207 24.521 3.663 1.00 0.00 ATOM 255 CB ILE A 32 7.401 25.628 4.366 1.00 0.00 ATOM 256 CG1 ILE A 32 8.003 25.934 5.738 1.00 0.00 ATOM 257 CG2 ILE A 32 5.955 25.196 4.557 1.00 0.00 ATOM 258 CD1 ILE A 32 7.419 27.166 6.399 1.00 0.00 ATOM 259 O ILE A 32 7.166 25.095 1.572 1.00 0.00 ATOM 260 C ILE A 32 7.481 24.210 2.363 1.00 0.00 ATOM 261 N ARG A 33 7.251 22.925 2.131 1.00 0.00 ATOM 262 CA ARG A 33 6.568 22.476 0.924 1.00 0.00 ATOM 263 CB ARG A 33 6.929 20.941 0.811 1.00 0.00 ATOM 264 CG ARG A 33 7.280 20.414 -0.573 1.00 0.00 ATOM 265 CD ARG A 33 7.505 18.903 -0.596 1.00 0.00 ATOM 266 NE ARG A 33 7.658 18.363 0.763 1.00 0.00 ATOM 267 CZ ARG A 33 6.736 17.648 1.415 1.00 0.00 ATOM 268 NH1 ARG A 33 5.568 17.364 0.842 1.00 0.00 ATOM 269 NH2 ARG A 33 6.981 17.215 2.649 1.00 0.00 ATOM 270 O ARG A 33 4.596 23.333 -0.155 1.00 0.00 ATOM 271 C ARG A 33 5.095 22.894 0.883 1.00 0.00 ATOM 272 N SER A 34 4.406 22.755 2.012 1.00 0.00 ATOM 273 CA SER A 34 2.989 23.061 2.099 1.00 0.00 ATOM 274 CB SER A 34 2.198 21.880 1.534 1.00 0.00 ATOM 275 OG SER A 34 0.798 22.122 1.552 1.00 0.00 ATOM 276 O SER A 34 3.317 22.864 4.462 1.00 0.00 ATOM 277 C SER A 34 2.655 23.369 3.547 1.00 0.00 ATOM 278 N VAL A 35 1.655 24.226 3.745 1.00 0.00 ATOM 279 CA VAL A 35 1.162 24.561 5.076 1.00 0.00 ATOM 280 CB VAL A 35 1.205 26.076 5.331 1.00 0.00 ATOM 281 CG1 VAL A 35 0.581 26.374 6.679 1.00 0.00 ATOM 282 CG2 VAL A 35 2.658 26.561 5.302 1.00 0.00 ATOM 283 O VAL A 35 -1.055 24.472 4.123 1.00 0.00 ATOM 284 C VAL A 35 -0.297 24.094 5.019 1.00 0.00 ATOM 285 N ASP A 36 -0.705 23.253 5.956 1.00 0.00 ATOM 286 CA ASP A 36 -2.078 22.766 5.939 1.00 0.00 ATOM 287 CB ASP A 36 -2.136 21.447 6.726 1.00 0.00 ATOM 288 CG ASP A 36 -1.265 20.333 6.104 1.00 0.00 ATOM 289 OD1 ASP A 36 -1.074 20.267 4.894 1.00 0.00 ATOM 290 OD2 ASP A 36 -0.822 19.538 6.956 1.00 0.00 ATOM 291 O ASP A 36 -2.758 24.461 7.496 1.00 0.00 ATOM 292 C ASP A 36 -3.031 23.815 6.483 1.00 0.00 ATOM 293 N PRO A 37 -4.163 24.029 5.795 1.00 0.00 ATOM 294 CA PRO A 37 -5.143 25.012 6.250 1.00 0.00 ATOM 295 CB PRO A 37 -6.278 24.901 5.231 1.00 0.00 ATOM 296 CG PRO A 37 -5.625 24.379 3.996 1.00 0.00 ATOM 297 CD PRO A 37 -4.574 23.408 4.461 1.00 0.00 ATOM 298 O PRO A 37 -5.945 23.537 7.949 1.00 0.00 ATOM 299 C PRO A 37 -5.653 24.692 7.649 1.00 0.00 ATOM 300 N GLY A 38 -5.758 25.732 8.480 1.00 0.00 ATOM 301 CA GLY A 38 -6.236 25.610 9.847 1.00 0.00 ATOM 302 O GLY A 38 -5.527 24.978 12.040 1.00 0.00 ATOM 303 C GLY A 38 -5.221 25.105 10.856 1.00 0.00 ATOM 304 N SER A 39 -4.007 24.852 10.394 1.00 0.00 ATOM 305 CA SER A 39 -2.957 24.307 11.247 1.00 0.00 ATOM 306 CB SER A 39 -1.856 23.654 10.361 1.00 0.00 ATOM 307 OG SER A 39 -1.118 24.664 9.691 1.00 0.00 ATOM 308 O SER A 39 -2.267 26.501 11.878 1.00 0.00 ATOM 309 C SER A 39 -2.223 25.302 12.116 1.00 0.00 ATOM 310 N PRO A 40 -1.565 24.805 13.169 1.00 0.00 ATOM 311 CA PRO A 40 -0.801 25.710 14.029 1.00 0.00 ATOM 312 CB PRO A 40 -0.273 24.795 15.145 1.00 0.00 ATOM 313 CG PRO A 40 -1.218 23.641 15.139 1.00 0.00 ATOM 314 CD PRO A 40 -1.530 23.418 13.690 1.00 0.00 ATOM 315 O PRO A 40 0.522 27.634 13.423 1.00 0.00 ATOM 316 C PRO A 40 0.214 26.474 13.161 1.00 0.00 ATOM 317 N ALA A 41 0.732 25.819 12.131 1.00 0.00 ATOM 318 CA ALA A 41 1.680 26.465 11.225 1.00 0.00 ATOM 319 CB ALA A 41 2.133 25.491 10.150 1.00 0.00 ATOM 320 O ALA A 41 1.604 28.741 10.501 1.00 0.00 ATOM 321 C ALA A 41 1.008 27.671 10.578 1.00 0.00 ATOM 322 N ALA A 42 -0.199 27.498 10.107 1.00 0.00 ATOM 323 CA ALA A 42 -0.892 28.637 9.463 1.00 0.00 ATOM 324 CB ALA A 42 -2.239 28.205 8.930 1.00 0.00 ATOM 325 O ALA A 42 -0.924 30.922 10.197 1.00 0.00 ATOM 326 C ALA A 42 -1.158 29.749 10.487 1.00 0.00 ATOM 327 N ARG A 43 -1.569 29.371 11.699 1.00 0.00 ATOM 328 CA ARG A 43 -1.866 30.349 12.750 1.00 0.00 ATOM 329 CB ARG A 43 -2.350 29.582 14.043 1.00 0.00 ATOM 330 CG ARG A 43 -3.401 28.484 13.908 1.00 0.00 ATOM 331 CD ARG A 43 -4.797 29.009 13.594 1.00 0.00 ATOM 332 NE ARG A 43 -5.826 28.053 14.003 1.00 0.00 ATOM 333 CZ ARG A 43 -7.080 28.055 13.563 1.00 0.00 ATOM 334 NH1 ARG A 43 -7.477 28.967 12.685 1.00 0.00 ATOM 335 NH2 ARG A 43 -7.945 27.153 14.008 1.00 0.00 ATOM 336 O ARG A 43 -0.777 32.175 13.794 1.00 0.00 ATOM 337 C ARG A 43 -0.635 31.113 13.221 1.00 0.00 ATOM 338 N SER A 44 0.546 30.527 13.011 1.00 0.00 ATOM 339 CA SER A 44 1.793 31.199 13.388 1.00 0.00 ATOM 340 CB SER A 44 2.806 30.286 13.944 1.00 0.00 ATOM 341 OG SER A 44 2.324 29.556 15.059 1.00 0.00 ATOM 342 O SER A 44 3.417 32.650 12.409 1.00 0.00 ATOM 343 C SER A 44 2.382 32.005 12.235 1.00 0.00 ATOM 344 N GLY A 45 1.750 31.945 11.067 1.00 0.00 ATOM 345 CA GLY A 45 2.228 32.718 9.929 1.00 0.00 ATOM 346 O GLY A 45 3.908 32.736 8.231 1.00 0.00 ATOM 347 C GLY A 45 3.234 32.058 9.011 1.00 0.00 ATOM 348 N LEU A 46 3.345 30.737 9.074 1.00 0.00 ATOM 349 CA LEU A 46 4.282 30.058 8.185 1.00 0.00 ATOM 350 CB LEU A 46 4.506 28.613 8.638 1.00 0.00 ATOM 351 CG LEU A 46 5.181 28.426 9.999 1.00 0.00 ATOM 352 CD1 LEU A 46 5.228 26.953 10.378 1.00 0.00 ATOM 353 CD2 LEU A 46 6.605 28.957 9.972 1.00 0.00 ATOM 354 O LEU A 46 2.480 30.107 6.586 1.00 0.00 ATOM 355 C LEU A 46 3.701 30.090 6.757 1.00 0.00 ATOM 356 N ARG A 47 4.614 30.105 5.768 1.00 0.00 ATOM 357 CA ARG A 47 4.167 30.119 4.367 1.00 0.00 ATOM 358 CB ARG A 47 4.268 31.557 3.815 1.00 0.00 ATOM 359 CG ARG A 47 3.450 32.619 4.533 1.00 0.00 ATOM 360 CD ARG A 47 1.970 32.520 4.187 1.00 0.00 ATOM 361 NE ARG A 47 1.196 33.603 4.791 1.00 0.00 ATOM 362 CZ ARG A 47 0.685 33.575 6.017 1.00 0.00 ATOM 363 NH1 ARG A 47 0.856 32.512 6.789 1.00 0.00 ATOM 364 NH2 ARG A 47 -0.005 34.615 6.470 1.00 0.00 ATOM 365 O ARG A 47 5.980 28.837 3.644 1.00 0.00 ATOM 366 C ARG A 47 4.860 29.212 3.434 1.00 0.00 ATOM 367 N ALA A 48 4.176 28.658 2.433 1.00 0.00 ATOM 368 CA ALA A 48 4.886 27.747 1.499 1.00 0.00 ATOM 369 CB ALA A 48 3.930 27.171 0.498 1.00 0.00 ATOM 370 O ALA A 48 5.817 29.754 0.520 1.00 0.00 ATOM 371 C ALA A 48 6.003 28.567 0.853 1.00 0.00 ATOM 372 N GLN A 49 7.230 27.911 0.704 1.00 0.00 ATOM 373 CA GLN A 49 8.395 28.574 0.145 1.00 0.00 ATOM 374 CB GLN A 49 7.960 29.742 -0.784 1.00 0.00 ATOM 375 CG GLN A 49 7.107 29.299 -1.967 1.00 0.00 ATOM 376 CD GLN A 49 7.848 28.334 -2.871 1.00 0.00 ATOM 377 OE1 GLN A 49 8.894 28.686 -3.414 1.00 0.00 ATOM 378 NE2 GLN A 49 7.328 27.120 -3.013 1.00 0.00 ATOM 379 O GLN A 49 10.454 29.576 0.829 1.00 0.00 ATOM 380 C GLN A 49 9.346 29.156 1.181 1.00 0.00 ATOM 381 N ASP A 50 8.938 29.176 2.449 1.00 0.00 ATOM 382 CA ASP A 50 9.805 29.693 3.518 1.00 0.00 ATOM 383 CB ASP A 50 9.056 29.710 4.852 1.00 0.00 ATOM 384 CG ASP A 50 8.034 30.827 4.934 1.00 0.00 ATOM 385 OD1 ASP A 50 8.036 31.702 4.044 1.00 0.00 ATOM 386 OD2 ASP A 50 7.227 30.826 5.888 1.00 0.00 ATOM 387 O ASP A 50 10.920 27.559 3.552 1.00 0.00 ATOM 388 C ASP A 50 11.024 28.793 3.654 1.00 0.00 ATOM 389 N ARG A 51 12.182 29.412 3.874 1.00 0.00 ATOM 390 CA ARG A 51 13.428 28.672 4.084 1.00 0.00 ATOM 391 CB ARG A 51 14.606 29.400 3.482 1.00 0.00 ATOM 392 CG ARG A 51 15.927 28.653 3.662 1.00 0.00 ATOM 393 CD ARG A 51 17.081 29.449 3.099 1.00 0.00 ATOM 394 NE ARG A 51 18.294 28.627 3.063 1.00 0.00 ATOM 395 CZ ARG A 51 19.509 29.096 2.831 1.00 0.00 ATOM 396 NH1 ARG A 51 19.710 30.398 2.637 1.00 0.00 ATOM 397 NH2 ARG A 51 20.528 28.252 2.839 1.00 0.00 ATOM 398 O ARG A 51 13.548 29.626 6.279 1.00 0.00 ATOM 399 C ARG A 51 13.631 28.609 5.595 1.00 0.00 ATOM 400 N LEU A 52 13.925 27.428 6.124 1.00 0.00 ATOM 401 CA LEU A 52 14.147 27.282 7.559 1.00 0.00 ATOM 402 CB LEU A 52 13.586 25.915 8.066 1.00 0.00 ATOM 403 CG LEU A 52 13.787 25.522 9.548 1.00 0.00 ATOM 404 CD1 LEU A 52 12.965 26.398 10.494 1.00 0.00 ATOM 405 CD2 LEU A 52 13.345 24.092 9.759 1.00 0.00 ATOM 406 O LEU A 52 16.494 26.854 7.466 1.00 0.00 ATOM 407 C LEU A 52 15.598 27.563 7.919 1.00 0.00 ATOM 408 N ILE A 53 15.807 28.545 8.794 1.00 0.00 ATOM 409 CA ILE A 53 17.142 28.914 9.256 1.00 0.00 ATOM 410 CB ILE A 53 17.291 30.442 9.376 1.00 0.00 ATOM 411 CG1 ILE A 53 16.987 31.117 8.038 1.00 0.00 ATOM 412 CG2 ILE A 53 18.708 30.809 9.790 1.00 0.00 ATOM 413 CD1 ILE A 53 17.874 30.655 6.904 1.00 0.00 ATOM 414 O ILE A 53 18.457 27.667 10.825 1.00 0.00 ATOM 415 C ILE A 53 17.421 28.306 10.632 1.00 0.00 ATOM 416 N GLU A 54 16.452 28.391 11.547 1.00 0.00 ATOM 417 CA GLU A 54 16.620 27.808 12.885 1.00 0.00 ATOM 418 CB GLU A 54 16.983 28.888 13.908 1.00 0.00 ATOM 419 CG GLU A 54 18.315 29.573 13.644 1.00 0.00 ATOM 420 CD GLU A 54 18.650 30.621 14.684 1.00 0.00 ATOM 421 OE1 GLU A 54 17.818 30.844 15.591 1.00 0.00 ATOM 422 OE2 GLU A 54 19.744 31.217 14.597 1.00 0.00 ATOM 423 O GLU A 54 14.278 27.738 13.253 1.00 0.00 ATOM 424 C GLU A 54 15.351 27.139 13.371 1.00 0.00 ATOM 425 N VAL A 55 15.535 26.103 14.183 1.00 0.00 ATOM 426 CA VAL A 55 14.428 25.406 14.839 1.00 0.00 ATOM 427 CB VAL A 55 14.306 23.955 14.338 1.00 0.00 ATOM 428 CG1 VAL A 55 13.164 23.243 15.049 1.00 0.00 ATOM 429 CG2 VAL A 55 14.030 23.929 12.843 1.00 0.00 ATOM 430 O VAL A 55 15.788 24.866 16.752 1.00 0.00 ATOM 431 C VAL A 55 14.778 25.440 16.330 1.00 0.00 ATOM 432 N ASN A 56 13.940 26.111 17.114 1.00 0.00 ATOM 433 CA ASN A 56 14.154 26.277 18.549 1.00 0.00 ATOM 434 CB ASN A 56 13.972 24.936 19.213 1.00 0.00 ATOM 435 CG ASN A 56 12.516 24.491 19.002 1.00 0.00 ATOM 436 ND2 ASN A 56 11.522 25.243 19.385 1.00 0.00 ATOM 437 OD1 ASN A 56 12.398 23.396 18.478 1.00 0.00 ATOM 438 O ASN A 56 16.070 26.497 19.879 1.00 0.00 ATOM 439 C ASN A 56 15.503 26.839 18.879 1.00 0.00 ATOM 440 N GLY A 57 16.030 27.767 18.041 1.00 0.00 ATOM 441 CA GLY A 57 17.255 28.437 18.270 1.00 0.00 ATOM 442 O GLY A 57 19.589 28.293 17.813 1.00 0.00 ATOM 443 C GLY A 57 18.482 27.781 17.659 1.00 0.00 ATOM 444 N GLN A 58 18.338 26.574 17.138 1.00 0.00 ATOM 445 CA GLN A 58 19.463 25.876 16.531 1.00 0.00 ATOM 446 CB GLN A 58 19.330 24.387 16.853 1.00 0.00 ATOM 447 CG GLN A 58 19.371 24.091 18.336 1.00 0.00 ATOM 448 CD GLN A 58 20.618 24.652 19.004 1.00 0.00 ATOM 449 OE1 GLN A 58 21.743 24.372 18.579 1.00 0.00 ATOM 450 NE2 GLN A 58 20.421 25.449 20.049 1.00 0.00 ATOM 451 O GLN A 58 18.464 25.872 14.350 1.00 0.00 ATOM 452 C GLN A 58 19.481 26.061 15.019 1.00 0.00 ATOM 453 N ASN A 59 20.653 26.347 14.461 1.00 0.00 ATOM 454 CA ASN A 59 20.770 26.546 13.027 1.00 0.00 ATOM 455 CB ASN A 59 22.250 26.742 12.730 1.00 0.00 ATOM 456 CG ASN A 59 22.559 28.195 13.072 1.00 0.00 ATOM 457 ND2 ASN A 59 23.649 28.450 13.799 1.00 0.00 ATOM 458 OD1 ASN A 59 21.777 29.119 12.832 1.00 0.00 ATOM 459 O ASN A 59 21.434 24.321 12.414 1.00 0.00 ATOM 460 C ASN A 59 20.596 25.223 12.289 1.00 0.00 ATOM 461 N VAL A 60 19.720 25.217 11.288 1.00 0.00 ATOM 462 CA VAL A 60 19.452 23.998 10.526 1.00 0.00 ATOM 463 CB VAL A 60 17.934 23.423 11.048 1.00 0.00 ATOM 464 CG1 VAL A 60 17.704 23.151 12.535 1.00 0.00 ATOM 465 CG2 VAL A 60 17.001 24.531 10.553 1.00 0.00 ATOM 466 O VAL A 60 19.193 23.424 8.205 1.00 0.00 ATOM 467 C VAL A 60 19.699 24.187 9.032 1.00 0.00 ATOM 468 N GLU A 61 20.465 25.215 8.690 1.00 0.00 ATOM 469 CA GLU A 61 20.742 25.510 7.287 1.00 0.00 ATOM 470 CB GLU A 61 21.588 26.779 7.163 1.00 0.00 ATOM 471 CG GLU A 61 20.835 28.058 7.483 1.00 0.00 ATOM 472 CD GLU A 61 21.726 29.285 7.440 1.00 0.00 ATOM 473 OE1 GLU A 61 22.945 29.126 7.231 1.00 0.00 ATOM 474 OE2 GLU A 61 21.203 30.406 7.619 1.00 0.00 ATOM 475 O GLU A 61 21.400 24.284 5.345 1.00 0.00 ATOM 476 C GLU A 61 21.502 24.405 6.565 1.00 0.00 ATOM 477 N GLY A 62 22.290 23.640 7.279 1.00 0.00 ATOM 478 CA GLY A 62 23.064 22.580 6.650 1.00 0.00 ATOM 479 O GLY A 62 23.348 20.212 6.705 1.00 0.00 ATOM 480 C GLY A 62 22.672 21.176 7.066 1.00 0.00 ATOM 481 N LEU A 63 21.570 21.061 7.791 1.00 0.00 ATOM 482 CA LEU A 63 21.126 19.754 8.268 1.00 0.00 ATOM 483 CB LEU A 63 20.300 19.950 9.563 1.00 0.00 ATOM 484 CG LEU A 63 20.969 20.727 10.698 1.00 0.00 ATOM 485 CD1 LEU A 63 20.031 20.726 11.918 1.00 0.00 ATOM 486 CD2 LEU A 63 22.329 20.174 11.087 1.00 0.00 ATOM 487 O LEU A 63 19.771 19.642 6.290 1.00 0.00 ATOM 488 C LEU A 63 20.271 19.038 7.238 1.00 0.00 ATOM 489 N ARG A 64 20.158 17.725 7.411 1.00 0.00 ATOM 490 CA ARG A 64 19.376 16.899 6.506 1.00 0.00 ATOM 491 CB ARG A 64 19.602 15.442 6.847 1.00 0.00 ATOM 492 CG ARG A 64 18.844 14.467 5.967 1.00 0.00 ATOM 493 CD ARG A 64 19.616 13.141 5.886 1.00 0.00 ATOM 494 NE ARG A 64 19.609 12.415 7.149 1.00 0.00 ATOM 495 CZ ARG A 64 20.576 11.598 7.566 1.00 0.00 ATOM 496 NH1 ARG A 64 21.659 11.383 6.829 1.00 0.00 ATOM 497 NH2 ARG A 64 20.450 10.983 8.728 1.00 0.00 ATOM 498 O ARG A 64 17.468 17.616 7.798 1.00 0.00 ATOM 499 C ARG A 64 17.885 17.025 6.798 1.00 0.00 ATOM 500 N HIS A 65 17.088 16.521 5.866 1.00 0.00 ATOM 501 CA HIS A 65 15.644 16.517 6.027 1.00 0.00 ATOM 502 CB HIS A 65 15.009 15.783 4.829 1.00 0.00 ATOM 503 CG HIS A 65 13.526 15.629 4.931 1.00 0.00 ATOM 504 CD2 HIS A 65 12.765 14.590 5.355 1.00 0.00 ATOM 505 ND1 HIS A 65 12.645 16.627 4.571 1.00 0.00 ATOM 506 CE1 HIS A 65 11.407 16.210 4.765 1.00 0.00 ATOM 507 NE2 HIS A 65 11.452 14.976 5.239 1.00 0.00 ATOM 508 O HIS A 65 14.465 16.355 8.117 1.00 0.00 ATOM 509 C HIS A 65 15.257 15.810 7.333 1.00 0.00 ATOM 510 N ALA A 66 15.824 14.636 7.582 1.00 0.00 ATOM 511 CA ALA A 66 15.442 13.848 8.759 1.00 0.00 ATOM 512 CB ALA A 66 16.096 12.470 8.686 1.00 0.00 ATOM 513 O ALA A 66 15.086 14.537 11.015 1.00 0.00 ATOM 514 C ALA A 66 15.834 14.561 10.033 1.00 0.00 ATOM 515 N GLU A 67 16.985 15.219 10.015 1.00 0.00 ATOM 516 CA GLU A 67 17.454 15.927 11.199 1.00 0.00 ATOM 517 CB GLU A 67 18.880 16.440 11.018 1.00 0.00 ATOM 518 CG GLU A 67 19.892 15.314 11.093 1.00 0.00 ATOM 519 CD GLU A 67 21.296 15.741 10.734 1.00 0.00 ATOM 520 OE1 GLU A 67 22.214 14.979 11.101 1.00 0.00 ATOM 521 OE2 GLU A 67 21.520 16.774 10.066 1.00 0.00 ATOM 522 O GLU A 67 16.082 17.193 12.675 1.00 0.00 ATOM 523 C GLU A 67 16.506 17.067 11.529 1.00 0.00 ATOM 524 N VAL A 68 16.114 17.826 10.530 1.00 0.00 ATOM 525 CA VAL A 68 15.219 18.958 10.761 1.00 0.00 ATOM 526 CB VAL A 68 15.254 19.885 9.494 1.00 0.00 ATOM 527 CG1 VAL A 68 14.228 20.992 9.559 1.00 0.00 ATOM 528 CG2 VAL A 68 16.632 20.523 9.298 1.00 0.00 ATOM 529 O VAL A 68 13.230 19.058 12.088 1.00 0.00 ATOM 530 C VAL A 68 13.838 18.476 11.190 1.00 0.00 ATOM 531 N VAL A 69 13.342 17.436 10.547 1.00 0.00 ATOM 532 CA VAL A 69 12.038 16.878 10.906 1.00 0.00 ATOM 533 CB VAL A 69 11.675 15.705 9.915 1.00 0.00 ATOM 534 CG1 VAL A 69 10.428 14.976 10.404 1.00 0.00 ATOM 535 CG2 VAL A 69 11.439 16.243 8.515 1.00 0.00 ATOM 536 O VAL A 69 11.038 16.561 13.068 1.00 0.00 ATOM 537 C VAL A 69 12.024 16.381 12.355 1.00 0.00 ATOM 538 N ALA A 70 13.096 15.733 12.771 1.00 0.00 ATOM 539 CA ALA A 70 13.183 15.227 14.136 1.00 0.00 ATOM 540 CB ALA A 70 14.439 14.396 14.344 1.00 0.00 ATOM 541 O ALA A 70 12.541 16.216 16.212 1.00 0.00 ATOM 542 C ALA A 70 13.161 16.358 15.160 1.00 0.00 ATOM 543 N SER A 71 13.876 17.452 14.884 1.00 0.00 ATOM 544 CA SER A 71 13.868 18.584 15.792 1.00 0.00 ATOM 545 CB SER A 71 14.731 19.728 15.258 1.00 0.00 ATOM 546 OG SER A 71 16.086 19.332 15.143 1.00 0.00 ATOM 547 O SER A 71 11.993 19.126 17.165 1.00 0.00 ATOM 548 C SER A 71 12.436 19.065 16.023 1.00 0.00 ATOM 549 N ILE A 72 11.631 19.056 14.970 1.00 0.00 ATOM 550 CA ILE A 72 10.243 19.505 15.064 1.00 0.00 ATOM 551 CB ILE A 72 9.736 19.842 13.618 1.00 0.00 ATOM 552 CG1 ILE A 72 10.365 21.099 13.033 1.00 0.00 ATOM 553 CG2 ILE A 72 8.196 19.989 13.630 1.00 0.00 ATOM 554 CD1 ILE A 72 10.143 21.363 11.586 1.00 0.00 ATOM 555 O ILE A 72 8.536 18.805 16.614 1.00 0.00 ATOM 556 C ILE A 72 9.341 18.472 15.737 1.00 0.00 ATOM 557 N LYS A 73 9.473 17.214 15.332 1.00 0.00 ATOM 558 CA LYS A 73 8.631 16.173 15.907 1.00 0.00 ATOM 559 CB LYS A 73 8.936 14.820 15.260 1.00 0.00 ATOM 560 CG LYS A 73 8.066 13.681 15.764 1.00 0.00 ATOM 561 CD LYS A 73 8.362 12.389 15.018 1.00 0.00 ATOM 562 CE LYS A 73 7.477 11.254 15.508 1.00 0.00 ATOM 563 NZ LYS A 73 7.755 9.984 14.787 1.00 0.00 ATOM 564 O LYS A 73 7.872 15.880 18.164 1.00 0.00 ATOM 565 C LYS A 73 8.832 16.058 17.415 1.00 0.00 ATOM 566 N ALA A 74 10.067 16.200 17.864 1.00 0.00 ATOM 567 CA ALA A 74 10.395 16.094 19.281 1.00 0.00 ATOM 568 CB ALA A 74 11.892 15.906 19.481 1.00 0.00 ATOM 569 O ALA A 74 10.022 17.254 21.319 1.00 0.00 ATOM 570 C ALA A 74 9.863 17.266 20.108 1.00 0.00 ATOM 571 N ARG A 75 9.583 18.398 19.467 1.00 0.00 ATOM 572 CA ARG A 75 9.009 19.562 20.159 1.00 0.00 ATOM 573 CB ARG A 75 9.214 20.809 19.296 1.00 0.00 ATOM 574 CG ARG A 75 10.668 21.087 18.947 1.00 0.00 ATOM 575 CD ARG A 75 11.503 21.311 20.198 1.00 0.00 ATOM 576 NE ARG A 75 11.112 22.527 20.908 1.00 0.00 ATOM 577 CZ ARG A 75 11.492 22.824 22.146 1.00 0.00 ATOM 578 NH1 ARG A 75 11.088 23.953 22.711 1.00 0.00 ATOM 579 NH2 ARG A 75 12.279 21.990 22.817 1.00 0.00 ATOM 580 O ARG A 75 6.686 19.492 19.522 1.00 0.00 ATOM 581 C ARG A 75 7.529 19.233 20.377 1.00 0.00 ATOM 582 N GLU A 76 7.205 18.701 21.552 1.00 0.00 ATOM 583 CA GLU A 76 5.853 18.237 21.816 1.00 0.00 ATOM 584 CB GLU A 76 5.900 17.263 23.082 1.00 0.00 ATOM 585 CG GLU A 76 6.482 15.875 22.830 1.00 0.00 ATOM 586 CD GLU A 76 5.866 15.151 21.639 1.00 0.00 ATOM 587 OE1 GLU A 76 4.621 15.069 21.538 1.00 0.00 ATOM 588 OE2 GLU A 76 6.640 14.656 20.792 1.00 0.00 ATOM 589 O GLU A 76 3.674 19.166 21.495 1.00 0.00 ATOM 590 C GLU A 76 4.782 19.307 22.013 1.00 0.00 ATOM 591 N ASP A 77 5.136 20.449 22.522 1.00 0.00 ATOM 592 CA ASP A 77 4.176 21.517 22.795 1.00 0.00 ATOM 593 CB ASP A 77 4.362 22.007 24.233 1.00 0.00 ATOM 594 CG ASP A 77 4.197 20.895 25.252 1.00 0.00 ATOM 595 OD1 ASP A 77 3.129 20.248 25.256 1.00 0.00 ATOM 596 OD2 ASP A 77 5.134 20.675 26.046 1.00 0.00 ATOM 597 O ASP A 77 3.233 23.218 21.361 1.00 0.00 ATOM 598 C ASP A 77 4.247 22.777 21.911 1.00 0.00 ATOM 599 N GLU A 78 5.404 23.270 21.729 1.00 0.00 ATOM 600 CA GLU A 78 5.603 24.416 20.823 1.00 0.00 ATOM 601 CB GLU A 78 5.713 25.709 21.627 1.00 0.00 ATOM 602 CG GLU A 78 4.421 26.025 22.370 1.00 0.00 ATOM 603 CD GLU A 78 4.511 27.242 23.268 1.00 0.00 ATOM 604 OE1 GLU A 78 5.627 27.587 23.707 1.00 0.00 ATOM 605 OE2 GLU A 78 3.452 27.842 23.554 1.00 0.00 ATOM 606 O GLU A 78 7.869 23.682 20.564 1.00 0.00 ATOM 607 C GLU A 78 6.934 24.335 20.098 1.00 0.00 ATOM 608 N ALA A 79 7.000 25.017 18.978 1.00 0.00 ATOM 609 CA ALA A 79 8.227 25.087 18.204 1.00 0.00 ATOM 610 CB ALA A 79 8.223 24.060 17.082 1.00 0.00 ATOM 611 O ALA A 79 7.463 27.045 17.045 1.00 0.00 ATOM 612 C ALA A 79 8.406 26.468 17.597 1.00 0.00 ATOM 613 N ARG A 80 9.615 26.998 17.734 1.00 0.00 ATOM 614 CA ARG A 80 9.967 28.318 17.213 1.00 0.00 ATOM 615 CB ARG A 80 10.293 29.270 18.406 1.00 0.00 ATOM 616 CG ARG A 80 11.515 28.875 19.135 1.00 0.00 ATOM 617 CD ARG A 80 12.037 30.065 19.940 1.00 0.00 ATOM 618 NE ARG A 80 12.859 30.927 19.096 1.00 0.00 ATOM 619 CZ ARG A 80 12.863 32.263 19.119 1.00 0.00 ATOM 620 NH1 ARG A 80 12.056 32.927 19.968 1.00 0.00 ATOM 621 NH2 ARG A 80 13.681 32.927 18.288 1.00 0.00 ATOM 622 O ARG A 80 11.742 27.380 15.906 1.00 0.00 ATOM 623 C ARG A 80 10.744 28.103 15.926 1.00 0.00 ATOM 624 N LEU A 81 10.254 28.668 14.836 1.00 0.00 ATOM 625 CA LEU A 81 10.911 28.519 13.547 1.00 0.00 ATOM 626 CB LEU A 81 9.965 27.901 12.516 1.00 0.00 ATOM 627 CG LEU A 81 9.429 26.505 12.839 1.00 0.00 ATOM 628 CD1 LEU A 81 8.404 26.069 11.802 1.00 0.00 ATOM 629 CD2 LEU A 81 10.557 25.485 12.852 1.00 0.00 ATOM 630 O LEU A 81 10.573 30.809 12.961 1.00 0.00 ATOM 631 C LEU A 81 11.369 29.873 13.034 1.00 0.00 ATOM 632 N LEU A 82 12.667 30.019 12.809 1.00 0.00 ATOM 633 CA LEU A 82 13.182 31.271 12.244 1.00 0.00 ATOM 634 CB LEU A 82 14.576 31.584 12.761 1.00 0.00 ATOM 635 CG LEU A 82 15.263 32.781 12.081 1.00 0.00 ATOM 636 CD1 LEU A 82 14.575 34.081 12.477 1.00 0.00 ATOM 637 CD2 LEU A 82 16.725 32.841 12.485 1.00 0.00 ATOM 638 O LEU A 82 13.935 30.041 10.333 1.00 0.00 ATOM 639 C LEU A 82 13.241 30.968 10.752 1.00 0.00 ATOM 640 N VAL A 83 12.532 31.760 9.948 1.00 0.00 ATOM 641 CA VAL A 83 12.457 31.518 8.518 1.00 0.00 ATOM 642 CB VAL A 83 11.055 31.046 8.096 1.00 0.00 ATOM 643 CG1 VAL A 83 10.711 29.723 8.765 1.00 0.00 ATOM 644 CG2 VAL A 83 10.005 32.073 8.491 1.00 0.00 ATOM 645 O VAL A 83 12.699 33.924 8.140 1.00 0.00 ATOM 646 C VAL A 83 12.711 32.759 7.696 1.00 0.00 ATOM 647 N VAL A 84 13.092 32.486 6.451 1.00 0.00 ATOM 648 CA VAL A 84 13.266 33.590 5.473 1.00 0.00 ATOM 649 CB VAL A 84 14.676 33.543 4.853 1.00 0.00 ATOM 650 CG1 VAL A 84 14.847 34.669 3.842 1.00 0.00 ATOM 651 CG2 VAL A 84 15.737 33.700 5.931 1.00 0.00 ATOM 652 O VAL A 84 12.104 32.263 3.839 1.00 0.00 ATOM 653 C VAL A 84 12.197 33.353 4.416 1.00 0.00 ATOM 654 N GLY A 85 11.320 34.350 4.264 1.00 0.00 ATOM 655 CA GLY A 85 10.235 34.233 3.320 1.00 0.00 ATOM 656 O GLY A 85 10.210 36.646 3.264 1.00 0.00 ATOM 657 C GLY A 85 9.666 35.585 2.926 1.00 0.00 ATOM 658 N PRO A 86 8.465 35.664 2.187 1.00 0.00 ATOM 659 CA PRO A 86 7.649 34.505 1.785 1.00 0.00 ATOM 660 CB PRO A 86 6.274 35.083 1.458 1.00 0.00 ATOM 661 CG PRO A 86 6.612 36.368 0.751 1.00 0.00 ATOM 662 CD PRO A 86 7.863 36.929 1.630 1.00 0.00 ATOM 663 O PRO A 86 7.759 32.492 0.531 1.00 0.00 ATOM 664 C PRO A 86 8.267 33.599 0.733 1.00 0.00 ATOM 665 N SER A 87 9.304 34.065 0.044 1.00 0.00 ATOM 666 CA SER A 87 10.056 33.229 -0.873 1.00 0.00 ATOM 667 CB SER A 87 9.597 33.447 -2.300 1.00 0.00 ATOM 668 OG SER A 87 9.938 34.754 -2.755 1.00 0.00 ATOM 669 O SER A 87 11.901 34.559 -0.097 1.00 0.00 ATOM 670 C SER A 87 11.532 33.490 -0.594 1.00 0.00 ATOM 671 N THR A 88 12.387 32.579 -0.901 1.00 0.00 ATOM 672 CA THR A 88 13.821 32.745 -0.712 1.00 0.00 ATOM 673 CB THR A 88 14.586 31.526 -1.222 1.00 0.00 ATOM 674 CG2 THR A 88 15.995 31.586 -0.719 1.00 0.00 ATOM 675 OG1 THR A 88 13.951 30.316 -0.762 1.00 0.00 ATOM 676 O THR A 88 15.063 34.725 -0.964 1.00 0.00 ATOM 677 C THR A 88 14.371 33.879 -1.521 1.00 0.00 ATOM 678 N ARG A 89 14.051 33.922 -2.805 1.00 0.00 ATOM 679 CA ARG A 89 14.509 34.993 -3.662 1.00 0.00 ATOM 680 CB ARG A 89 14.073 34.864 -5.127 1.00 0.00 ATOM 681 CG ARG A 89 12.595 34.474 -5.356 1.00 0.00 ATOM 682 CD ARG A 89 12.395 33.105 -6.023 1.00 0.00 ATOM 683 NE ARG A 89 11.365 32.299 -5.343 1.00 0.00 ATOM 684 CZ ARG A 89 11.597 31.325 -4.443 1.00 0.00 ATOM 685 NH1 ARG A 89 12.841 30.995 -4.064 1.00 0.00 ATOM 686 NH2 ARG A 89 10.557 30.668 -3.929 1.00 0.00 ATOM 687 O ARG A 89 14.779 37.204 -2.813 1.00 0.00 ATOM 688 C ARG A 89 14.002 36.310 -3.100 1.00 0.00 ATOM 689 N LEU A 90 12.703 36.374 -2.806 1.00 0.00 ATOM 690 CA LEU A 90 12.118 37.617 -2.312 1.00 0.00 ATOM 691 CB LEU A 90 10.586 37.532 -2.350 1.00 0.00 ATOM 692 CG LEU A 90 9.984 37.558 -3.765 1.00 0.00 ATOM 693 CD1 LEU A 90 8.494 37.218 -3.692 1.00 0.00 ATOM 694 CD2 LEU A 90 10.195 38.927 -4.386 1.00 0.00 ATOM 695 O LEU A 90 12.817 36.913 -0.126 1.00 0.00 ATOM 696 C LEU A 90 12.601 37.858 -0.884 1.00 0.00 ENDMDL EXPDTA 2he4A MODEL 2 REMARK 44 REMARK 44 model 2 is called 2he4A ATOM 1 N SER A 1 11.925 45.145 10.759 1.00 0.00 ATOM 2 CA SER A 1 12.258 45.950 9.545 1.00 0.00 ATOM 3 CB SER A 1 13.563 46.739 9.728 1.00 0.00 ATOM 4 OG SER A 1 14.693 45.901 9.904 1.00 0.00 ATOM 5 O SER A 1 12.169 43.829 8.426 1.00 0.00 ATOM 6 C SER A 1 12.332 45.044 8.322 1.00 0.00 ATOM 7 N MET A 2 12.565 45.642 7.163 1.00 0.00 ATOM 8 CA MET A 2 12.553 44.904 5.907 1.00 0.00 ATOM 9 CB MET A 2 12.762 45.858 4.720 1.00 0.00 ATOM 10 O MET A 2 14.726 43.976 6.341 1.00 0.00 ATOM 11 C MET A 2 13.598 43.809 5.856 1.00 0.00 ATOM 12 N LEU A 3 13.190 42.705 5.237 1.00 0.00 ATOM 13 CA LEU A 3 14.033 41.603 4.816 1.00 0.00 ATOM 14 CB LEU A 3 15.026 42.038 3.712 1.00 0.00 ATOM 15 CG LEU A 3 14.462 42.354 2.323 1.00 0.00 ATOM 16 CD1 LEU A 3 15.611 42.473 1.303 1.00 0.00 ATOM 17 CD2 LEU A 3 13.512 41.253 1.883 1.00 0.00 ATOM 18 O LEU A 3 15.809 40.434 5.840 1.00 0.00 ATOM 19 C LEU A 3 14.737 40.963 5.992 1.00 0.00 ATOM 20 N ARG A 4 14.086 41.010 7.151 1.00 0.00 ATOM 21 CA ARG A 4 14.548 40.280 8.362 1.00 0.00 ATOM 22 CB ARG A 4 14.199 41.037 9.662 1.00 0.00 ATOM 23 CG ARG A 4 14.773 42.409 9.789 1.00 0.00 ATOM 24 CD ARG A 4 16.271 42.378 9.800 1.00 0.00 ATOM 25 NE ARG A 4 16.841 41.624 10.936 1.00 0.00 ATOM 26 CZ ARG A 4 18.092 41.176 10.996 1.00 0.00 ATOM 27 NH1 ARG A 4 18.952 41.378 10.001 1.00 0.00 ATOM 28 NH2 ARG A 4 18.478 40.512 12.051 1.00 0.00 ATOM 29 O ARG A 4 12.693 38.747 8.098 1.00 0.00 ATOM 30 C ARG A 4 13.887 38.892 8.395 1.00 0.00 ATOM 31 N PRO A 5 14.632 37.861 8.767 1.00 0.00 ATOM 32 CA PRO A 5 13.961 36.591 9.047 1.00 0.00 ATOM 33 CB PRO A 5 15.086 35.717 9.560 1.00 0.00 ATOM 34 CG PRO A 5 16.338 36.314 9.063 1.00 0.00 ATOM 35 CD PRO A 5 16.076 37.774 8.991 1.00 0.00 ATOM 36 O PRO A 5 12.959 37.560 11.009 1.00 0.00 ATOM 37 C PRO A 5 12.865 36.737 10.111 1.00 0.00 ATOM 38 N ARG A 6 11.828 35.908 10.011 1.00 0.00 ATOM 39 CA ARG A 6 10.668 35.983 10.867 1.00 0.00 ATOM 40 CB ARG A 6 9.406 35.972 10.036 1.00 0.00 ATOM 41 CG ARG A 6 8.169 36.133 10.877 1.00 0.00 ATOM 42 CD ARG A 6 7.037 36.652 10.073 1.00 0.00 ATOM 43 NE ARG A 6 5.809 36.577 10.835 1.00 0.00 ATOM 44 CZ ARG A 6 4.607 36.866 10.326 1.00 0.00 ATOM 45 NH1 ARG A 6 4.468 37.263 9.060 1.00 0.00 ATOM 46 NH2 ARG A 6 3.534 36.756 11.083 1.00 0.00 ATOM 47 O ARG A 6 10.761 33.634 11.293 1.00 0.00 ATOM 48 C ARG A 6 10.609 34.760 11.762 1.00 0.00 ATOM 49 N LEU A 7 10.336 35.012 13.038 1.00 0.00 ATOM 50 CA LEU A 7 10.211 33.952 14.032 1.00 0.00 ATOM 51 CB LEU A 7 10.648 34.449 15.395 1.00 0.00 ATOM 52 CG LEU A 7 10.784 33.417 16.506 1.00 0.00 ATOM 53 CD1 LEU A 7 11.678 32.244 16.115 1.00 0.00 ATOM 54 CD2 LEU A 7 11.256 34.046 17.745 1.00 0.00 ATOM 55 O LEU A 7 7.869 34.354 14.321 1.00 0.00 ATOM 56 C LEU A 7 8.733 33.535 14.039 1.00 0.00 ATOM 57 N CYS A 8 8.493 32.255 13.815 1.00 0.00 ATOM 58 CA CYS A 8 7.156 31.709 13.789 1.00 0.00 ATOM 59 CB CYS A 8 6.952 30.930 12.493 1.00 0.00 ATOM 60 SG CYS A 8 7.018 31.989 11.023 1.00 0.00 ATOM 61 O CYS A 8 7.808 29.765 15.113 1.00 0.00 ATOM 62 C CYS A 8 7.065 30.768 15.010 1.00 0.00 ATOM 63 N HIS A 9 6.147 31.083 15.924 1.00 0.00 ATOM 64 CA HIS A 9 5.986 30.308 17.136 1.00 0.00 ATOM 65 CB HIS A 9 5.785 31.228 18.333 1.00 0.00 ATOM 66 CG HIS A 9 5.602 30.501 19.625 1.00 0.00 ATOM 67 CD2 HIS A 9 5.993 29.272 20.022 1.00 0.00 ATOM 68 ND1 HIS A 9 4.934 31.054 20.695 1.00 0.00 ATOM 69 CE1 HIS A 9 4.913 30.186 21.696 1.00 0.00 ATOM 70 NE2 HIS A 9 5.559 29.099 21.317 1.00 0.00 ATOM 71 O HIS A 9 3.615 29.930 16.904 1.00 0.00 ATOM 72 C HIS A 9 4.760 29.432 16.924 1.00 0.00 ATOM 73 N LEU A 10 4.980 28.128 16.734 1.00 0.00 ATOM 74 CA LEU A 10 3.874 27.195 16.506 1.00 0.00 ATOM 75 CB LEU A 10 4.283 26.163 15.481 1.00 0.00 ATOM 76 CG LEU A 10 4.556 26.596 14.024 1.00 0.00 ATOM 77 CD1 LEU A 10 5.867 27.319 13.785 1.00 0.00 ATOM 78 CD2 LEU A 10 4.492 25.381 13.126 1.00 0.00 ATOM 79 O LEU A 10 4.393 25.978 18.519 1.00 0.00 ATOM 80 C LEU A 10 3.513 26.480 17.814 1.00 0.00 ATOM 81 N ARG A 11 2.228 26.463 18.107 1.00 0.00 ATOM 82 CA ARG A 11 1.683 25.748 19.216 1.00 0.00 ATOM 83 CB ARG A 11 0.664 26.609 19.970 1.00 0.00 ATOM 84 CG ARG A 11 1.261 27.942 20.431 1.00 0.00 ATOM 85 CD ARG A 11 0.350 28.666 21.374 1.00 0.00 ATOM 86 NE ARG A 11 1.009 29.776 22.056 1.00 0.00 ATOM 87 CZ ARG A 11 1.194 30.993 21.548 1.00 0.00 ATOM 88 NH1 ARG A 11 0.803 31.295 20.311 1.00 0.00 ATOM 89 NH2 ARG A 11 1.794 31.912 22.290 1.00 0.00 ATOM 90 O ARG A 11 0.125 24.480 17.907 1.00 0.00 ATOM 91 C ARG A 11 1.066 24.451 18.693 1.00 0.00 ATOM 92 N LYS A 12 1.596 23.310 19.105 1.00 0.00 ATOM 93 CA LYS A 12 1.213 22.040 18.531 1.00 0.00 ATOM 94 CB LYS A 12 2.090 20.913 19.065 1.00 0.00 ATOM 95 CG LYS A 12 2.063 19.688 18.141 1.00 0.00 ATOM 96 CD LYS A 12 2.763 18.515 18.643 1.00 0.00 ATOM 97 CE LYS A 12 4.208 18.755 18.606 1.00 0.00 ATOM 98 NZ LYS A 12 4.877 17.634 19.270 1.00 0.00 ATOM 99 O LYS A 12 -0.787 21.980 19.886 1.00 0.00 ATOM 100 C LYS A 12 -0.257 21.733 18.798 1.00 0.00 ATOM 101 N GLY A 13 -0.890 21.169 17.795 1.00 0.00 ATOM 102 CA GLY A 13 -2.251 20.705 17.868 1.00 0.00 ATOM 103 O GLY A 13 -1.348 18.491 17.969 1.00 0.00 ATOM 104 C GLY A 13 -2.345 19.201 17.914 1.00 0.00 ATOM 105 N PRO A 14 -3.574 18.687 17.952 1.00 0.00 ATOM 106 CA PRO A 14 -3.752 17.244 18.064 1.00 0.00 ATOM 107 CB PRO A 14 -5.275 17.091 18.285 1.00 0.00 ATOM 108 CG PRO A 14 -5.871 18.309 17.895 1.00 0.00 ATOM 109 CD PRO A 14 -4.845 19.414 17.950 1.00 0.00 ATOM 110 O PRO A 14 -3.065 15.217 16.946 1.00 0.00 ATOM 111 C PRO A 14 -3.285 16.435 16.840 1.00 0.00 ATOM 112 N GLN A 15 -3.176 17.077 15.678 1.00 0.00 ATOM 113 CA GLN A 15 -2.610 16.415 14.478 1.00 0.00 ATOM 114 CB GLN A 15 -3.544 16.623 13.296 1.00 0.00 ATOM 115 CG GLN A 15 -4.774 15.771 13.321 1.00 0.00 ATOM 116 CD GLN A 15 -5.775 16.238 14.372 1.00 0.00 ATOM 117 OE1 GLN A 15 -6.211 17.404 14.372 1.00 0.00 ATOM 118 NE2 GLN A 15 -6.127 15.335 15.277 1.00 0.00 ATOM 119 O GLN A 15 -0.813 16.930 12.977 1.00 0.00 ATOM 120 C GLN A 15 -1.262 16.992 14.113 1.00 0.00 ATOM 121 N GLY A 16 -0.588 17.557 15.082 1.00 0.00 ATOM 122 CA GLY A 16 0.710 18.150 14.837 1.00 0.00 ATOM 123 O GLY A 16 -0.178 20.361 15.038 1.00 0.00 ATOM 124 C GLY A 16 0.633 19.622 14.501 1.00 0.00 ATOM 125 N TYR A 17 1.496 20.047 13.594 1.00 0.00 ATOM 126 CA TYR A 17 1.615 21.446 13.231 1.00 0.00 ATOM 127 CB TYR A 17 3.085 21.807 13.115 1.00 0.00 ATOM 128 CG TYR A 17 3.812 21.776 14.434 1.00 0.00 ATOM 129 CD1 TYR A 17 3.457 22.638 15.454 1.00 0.00 ATOM 130 CD2 TYR A 17 4.832 20.878 14.679 1.00 0.00 ATOM 131 CE1 TYR A 17 4.112 22.637 16.651 1.00 0.00 ATOM 132 CE2 TYR A 17 5.474 20.857 15.903 1.00 0.00 ATOM 133 CZ TYR A 17 5.108 21.733 16.878 1.00 0.00 ATOM 134 OH TYR A 17 5.693 21.758 18.132 1.00 0.00 ATOM 135 O TYR A 17 0.507 22.956 11.783 1.00 0.00 ATOM 136 C TYR A 17 0.903 21.818 11.935 1.00 0.00 ATOM 137 N GLY A 18 0.750 20.865 11.024 1.00 0.00 ATOM 138 CA GLY A 18 0.051 21.110 9.757 1.00 0.00 ATOM 139 O GLY A 18 0.400 22.664 7.975 1.00 0.00 ATOM 140 C GLY A 18 0.888 21.786 8.682 1.00 0.00 ATOM 141 N PHE A 19 2.123 21.340 8.526 1.00 0.00 ATOM 142 CA PHE A 19 2.931 21.749 7.381 1.00 0.00 ATOM 143 CB PHE A 19 3.783 23.001 7.678 1.00 0.00 ATOM 144 CG PHE A 19 4.941 22.792 8.621 1.00 0.00 ATOM 145 CD1 PHE A 19 6.211 22.583 8.147 1.00 0.00 ATOM 146 CD2 PHE A 19 4.741 22.811 9.990 1.00 0.00 ATOM 147 CE1 PHE A 19 7.268 22.433 9.011 1.00 0.00 ATOM 148 CE2 PHE A 19 5.803 22.654 10.854 1.00 0.00 ATOM 149 CZ PHE A 19 7.055 22.471 10.357 1.00 0.00 ATOM 150 O PHE A 19 3.966 19.644 7.620 1.00 0.00 ATOM 151 C PHE A 19 3.765 20.616 6.888 1.00 0.00 ATOM 152 N ASN A 20 4.266 20.767 5.648 1.00 0.00 ATOM 153 CA ASN A 20 5.144 19.758 5.015 1.00 0.00 ATOM 154 CB ASN A 20 4.524 19.356 3.677 1.00 0.00 ATOM 155 CG ASN A 20 5.082 18.083 3.088 1.00 0.00 ATOM 156 ND2 ASN A 20 4.856 17.914 1.784 1.00 0.00 ATOM 157 OD1 ASN A 20 5.684 17.242 3.774 1.00 0.00 ATOM 158 O ASN A 20 6.621 21.458 4.280 1.00 0.00 ATOM 159 C ASN A 20 6.519 20.383 4.843 1.00 0.00 ATOM 160 N LEU A 21 7.530 19.713 5.406 1.00 0.00 ATOM 161 CA LEU A 21 8.909 20.132 5.319 1.00 0.00 ATOM 162 CB LEU A 21 9.637 19.835 6.615 1.00 0.00 ATOM 163 CG LEU A 21 11.058 20.402 6.692 1.00 0.00 ATOM 164 CD1 LEU A 21 11.052 21.936 6.862 1.00 0.00 ATOM 165 CD2 LEU A 21 11.885 19.716 7.767 1.00 0.00 ATOM 166 O LEU A 21 9.497 18.143 4.182 1.00 0.00 ATOM 167 C LEU A 21 9.581 19.363 4.189 1.00 0.00 ATOM 168 N HIS A 22 10.289 20.072 3.301 1.00 0.00 ATOM 169 CA HIS A 22 10.830 19.470 2.087 1.00 0.00 ATOM 170 CB HIS A 22 9.966 19.919 0.878 1.00 0.00 ATOM 171 CG HIS A 22 9.780 18.848 -0.162 1.00 0.00 ATOM 172 CD2 HIS A 22 8.667 18.193 -0.583 1.00 0.00 ATOM 173 ND1 HIS A 22 10.826 18.335 -0.905 1.00 0.00 ATOM 174 CE1 HIS A 22 10.366 17.409 -1.734 1.00 0.00 ATOM 175 NE2 HIS A 22 9.060 17.307 -1.565 1.00 0.00 ATOM 176 O HIS A 22 12.652 21.010 1.983 1.00 0.00 ATOM 177 C HIS A 22 12.295 19.847 1.849 1.00 0.00 ATOM 178 N SER A 23 13.109 18.863 1.455 1.00 0.00 ATOM 179 CA SER A 23 14.432 19.140 0.840 1.00 0.00 ATOM 180 CB SER A 23 15.344 17.934 0.873 1.00 0.00 ATOM 181 OG SER A 23 15.681 17.592 2.216 1.00 0.00 ATOM 182 O SER A 23 13.210 19.195 -1.273 1.00 0.00 ATOM 183 C SER A 23 14.247 19.545 -0.634 1.00 0.00 ATOM 184 N ASP A 24 15.183 20.311 -1.176 1.00 0.00 ATOM 185 CA ASP A 24 15.169 20.692 -2.578 1.00 0.00 ATOM 186 CB ASP A 24 15.299 22.211 -2.716 1.00 0.00 ATOM 187 CG ASP A 24 15.193 22.664 -4.143 1.00 0.00 ATOM 188 OD1 ASP A 24 16.210 23.063 -4.707 1.00 0.00 ATOM 189 OD2 ASP A 24 14.096 22.583 -4.724 1.00 0.00 ATOM 190 O ASP A 24 17.274 19.606 -2.878 1.00 0.00 ATOM 191 C ASP A 24 16.237 19.930 -3.398 1.00 0.00 ATOM 192 N LYS A 25 15.959 19.641 -4.671 1.00 0.00 ATOM 193 CA LYS A 25 16.901 18.868 -5.503 1.00 0.00 ATOM 194 CB LYS A 25 16.148 18.118 -6.624 1.00 0.00 ATOM 195 CG LYS A 25 15.436 16.818 -6.223 1.00 0.00 ATOM 196 CD LYS A 25 16.343 15.727 -5.716 1.00 0.00 ATOM 197 CE LYS A 25 17.478 15.432 -6.684 1.00 0.00 ATOM 198 NZ LYS A 25 18.461 14.458 -6.139 1.00 0.00 ATOM 199 O LYS A 25 18.868 19.212 -6.819 1.00 0.00 ATOM 200 C LYS A 25 17.977 19.742 -6.136 1.00 0.00 ATOM 201 N SER A 26 17.925 21.059 -5.901 1.00 0.00 ATOM 202 CA SER A 26 18.799 22.036 -6.584 1.00 0.00 ATOM 203 CB SER A 26 17.986 22.820 -7.595 1.00 0.00 ATOM 204 OG SER A 26 16.840 23.408 -6.985 1.00 0.00 ATOM 205 O SER A 26 20.492 23.629 -6.051 1.00 0.00 ATOM 206 C SER A 26 19.486 23.041 -5.667 1.00 0.00 ATOM 207 N ARG A 27 18.923 23.262 -4.488 1.00 0.00 ATOM 208 CA ARG A 27 19.409 24.213 -3.505 1.00 0.00 ATOM 209 CB ARG A 27 18.371 25.323 -3.336 1.00 0.00 ATOM 210 CG ARG A 27 18.036 26.047 -4.635 1.00 0.00 ATOM 211 O ARG A 27 18.739 22.590 -1.898 1.00 0.00 ATOM 212 C ARG A 27 19.552 23.462 -2.185 1.00 0.00 ATOM 213 N PRO A 28 20.591 23.771 -1.397 1.00 0.00 ATOM 214 CA PRO A 28 20.615 23.221 -0.052 1.00 0.00 ATOM 215 CB PRO A 28 22.020 23.578 0.473 1.00 0.00 ATOM 216 CG PRO A 28 22.508 24.683 -0.406 1.00 0.00 ATOM 217 CD PRO A 28 21.759 24.621 -1.702 1.00 0.00 ATOM 218 O PRO A 28 19.104 25.010 0.475 1.00 0.00 ATOM 219 C PRO A 28 19.538 23.894 0.793 1.00 0.00 ATOM 220 N GLY A 29 19.085 23.178 1.814 1.00 0.00 ATOM 221 CA GLY A 29 18.186 23.714 2.816 1.00 0.00 ATOM 222 O GLY A 29 16.571 22.051 2.108 1.00 0.00 ATOM 223 C GLY A 29 16.898 22.912 2.941 1.00 0.00 ATOM 224 N GLN A 30 16.143 23.241 3.986 1.00 0.00 ATOM 225 CA GLN A 30 14.837 22.685 4.203 1.00 0.00 ATOM 226 CB GLN A 30 14.737 22.095 5.607 1.00 0.00 ATOM 227 CG GLN A 30 15.764 20.981 5.848 1.00 0.00 ATOM 228 CD GLN A 30 15.618 19.830 4.913 1.00 0.00 ATOM 229 OE1 GLN A 30 14.486 19.377 4.634 1.00 0.00 ATOM 230 NE2 GLN A 30 16.761 19.336 4.396 1.00 0.00 ATOM 231 O GLN A 30 14.019 24.934 4.489 1.00 0.00 ATOM 232 C GLN A 30 13.832 23.814 3.997 1.00 0.00 ATOM 233 N TYR A 31 12.726 23.488 3.356 1.00 0.00 ATOM 234 CA TYR A 31 11.723 24.464 2.962 1.00 0.00 ATOM 235 CB TYR A 31 11.745 24.652 1.423 1.00 0.00 ATOM 236 CG TYR A 31 13.106 25.159 0.928 1.00 0.00 ATOM 237 CD1 TYR A 31 13.317 26.499 0.683 1.00 0.00 ATOM 238 CD2 TYR A 31 14.190 24.295 0.776 1.00 0.00 ATOM 239 CE1 TYR A 31 14.562 26.965 0.271 1.00 0.00 ATOM 240 CE2 TYR A 31 15.434 24.747 0.344 1.00 0.00 ATOM 241 CZ TYR A 31 15.600 26.082 0.105 1.00 0.00 ATOM 242 OH TYR A 31 16.831 26.546 -0.300 1.00 0.00 ATOM 243 O TYR A 31 10.066 22.828 3.479 1.00 0.00 ATOM 244 C TYR A 31 10.334 24.015 3.346 1.00 0.00 ATOM 245 N ILE A 32 9.462 24.994 3.527 1.00 0.00 ATOM 246 CA ILE A 32 8.054 24.734 3.760 1.00 0.00 ATOM 247 CB ILE A 32 7.370 25.883 4.535 1.00 0.00 ATOM 248 CG1 ILE A 32 8.150 26.282 5.776 1.00 0.00 ATOM 249 CG2 ILE A 32 5.922 25.548 4.928 1.00 0.00 ATOM 250 CD1 ILE A 32 8.509 25.128 6.738 1.00 0.00 ATOM 251 O ILE A 32 7.223 25.436 1.608 1.00 0.00 ATOM 252 C ILE A 32 7.362 24.510 2.407 1.00 0.00 ATOM 253 N ARG A 33 6.998 23.274 2.110 1.00 0.00 ATOM 254 CA ARG A 33 6.302 23.029 0.814 1.00 0.00 ATOM 255 CB ARG A 33 6.370 21.569 0.378 1.00 0.00 ATOM 256 CG ARG A 33 5.771 21.421 -1.038 1.00 0.00 ATOM 257 CD ARG A 33 6.069 20.124 -1.700 1.00 0.00 ATOM 258 NE ARG A 33 5.339 20.086 -2.966 1.00 0.00 ATOM 259 CZ ARG A 33 4.791 19.001 -3.499 1.00 0.00 ATOM 260 NH1 ARG A 33 4.137 19.109 -4.648 1.00 0.00 ATOM 261 NH2 ARG A 33 4.887 17.810 -2.902 1.00 0.00 ATOM 262 O ARG A 33 4.335 23.956 -0.202 1.00 0.00 ATOM 263 C ARG A 33 4.849 23.472 0.828 1.00 0.00 ATOM 264 N SER A 34 4.159 23.242 1.955 1.00 0.00 ATOM 265 CA SER A 34 2.781 23.628 2.096 1.00 0.00 ATOM 266 CB SER A 34 1.849 22.570 1.490 1.00 0.00 ATOM 267 OG SER A 34 1.931 21.322 2.184 1.00 0.00 ATOM 268 O SER A 34 3.115 23.285 4.407 1.00 0.00 ATOM 269 C SER A 34 2.427 23.814 3.555 1.00 0.00 ATOM 270 N VAL A 35 1.330 24.532 3.783 1.00 0.00 ATOM 271 CA VAL A 35 0.817 24.882 5.084 1.00 0.00 ATOM 272 CB VAL A 35 1.074 26.387 5.426 1.00 0.00 ATOM 273 CG1 VAL A 35 0.417 26.784 6.745 1.00 0.00 ATOM 274 CG2 VAL A 35 2.596 26.602 5.541 1.00 0.00 ATOM 275 O VAL A 35 -1.348 25.145 4.199 1.00 0.00 ATOM 276 C VAL A 35 -0.640 24.592 5.034 1.00 0.00 ATOM 277 N ASP A 36 -1.122 23.717 5.893 1.00 0.00 ATOM 278 CA ASP A 36 -2.547 23.380 5.883 1.00 0.00 ATOM 279 CB ASP A 36 -2.862 22.198 6.816 1.00 0.00 ATOM 280 CG ASP A 36 -2.155 20.905 6.426 1.00 0.00 ATOM 281 OD1 ASP A 36 -1.626 20.815 5.311 1.00 0.00 ATOM 282 OD2 ASP A 36 -2.120 19.967 7.259 1.00 0.00 ATOM 283 O ASP A 36 -3.023 25.284 7.311 1.00 0.00 ATOM 284 C ASP A 36 -3.361 24.599 6.324 1.00 0.00 ATOM 285 N PRO A 37 -4.506 24.854 5.634 1.00 0.00 ATOM 286 CA PRO A 37 -5.314 25.937 6.078 1.00 0.00 ATOM 287 CB PRO A 37 -6.542 25.830 5.157 1.00 0.00 ATOM 288 CG PRO A 37 -5.991 25.203 3.938 1.00 0.00 ATOM 289 CD PRO A 37 -4.997 24.220 4.396 1.00 0.00 ATOM 290 O PRO A 37 -6.131 24.633 7.908 1.00 0.00 ATOM 291 C PRO A 37 -5.786 25.763 7.502 1.00 0.00 ATOM 292 N GLY A 38 -5.773 26.853 8.256 1.00 0.00 ATOM 293 CA GLY A 38 -6.304 26.860 9.596 1.00 0.00 ATOM 294 O GLY A 38 -6.036 25.658 11.620 1.00 0.00 ATOM 295 C GLY A 38 -5.514 26.036 10.599 1.00 0.00 ATOM 296 N SER A 39 -4.263 25.738 10.283 1.00 0.00 ATOM 297 CA SER A 39 -3.377 24.927 11.143 1.00 0.00 ATOM 298 CB SER A 39 -2.391 24.227 10.240 1.00 0.00 ATOM 299 OG SER A 39 -1.645 25.180 9.514 1.00 0.00 ATOM 300 O SER A 39 -2.542 26.990 11.990 1.00 0.00 ATOM 301 C SER A 39 -2.611 25.793 12.137 1.00 0.00 ATOM 302 N PRO A 40 -1.975 25.166 13.135 1.00 0.00 ATOM 303 CA PRO A 40 -1.033 25.872 13.967 1.00 0.00 ATOM 304 CB PRO A 40 -0.468 24.749 14.855 1.00 0.00 ATOM 305 CG PRO A 40 -1.597 23.808 15.020 1.00 0.00 ATOM 306 CD PRO A 40 -2.187 23.783 13.614 1.00 0.00 ATOM 307 O PRO A 40 0.454 27.687 13.409 1.00 0.00 ATOM 308 C PRO A 40 0.061 26.542 13.130 1.00 0.00 ATOM 309 N ALA A 41 0.520 25.850 12.092 1.00 0.00 ATOM 310 CA ALA A 41 1.531 26.460 11.193 1.00 0.00 ATOM 311 CB ALA A 41 1.943 25.495 10.126 1.00 0.00 ATOM 312 O ALA A 41 1.740 28.769 10.535 1.00 0.00 ATOM 313 C ALA A 41 1.038 27.774 10.581 1.00 0.00 ATOM 314 N ALA A 42 -0.168 27.744 10.034 1.00 0.00 ATOM 315 CA ALA A 42 -0.716 28.950 9.421 1.00 0.00 ATOM 316 CB ALA A 42 -2.116 28.689 8.805 1.00 0.00 ATOM 317 O ALA A 42 -0.437 31.244 10.071 1.00 0.00 ATOM 318 C ALA A 42 -0.786 30.096 10.418 1.00 0.00 ATOM 319 N ARG A 43 -1.261 29.814 11.636 1.00 0.00 ATOM 320 CA ARG A 43 -1.438 30.863 12.632 1.00 0.00 ATOM 321 CB ARG A 43 -2.203 30.336 13.838 1.00 0.00 ATOM 322 CG ARG A 43 -3.658 30.201 13.573 1.00 0.00 ATOM 323 CD ARG A 43 -4.434 29.962 14.864 1.00 0.00 ATOM 324 NE ARG A 43 -4.098 28.676 15.436 1.00 0.00 ATOM 325 CZ ARG A 43 -4.542 27.525 14.970 1.00 0.00 ATOM 326 NH1 ARG A 43 -5.408 27.499 13.938 1.00 0.00 ATOM 327 NH2 ARG A 43 -4.196 26.410 15.542 1.00 0.00 ATOM 328 O ARG A 43 -0.050 32.623 13.552 1.00 0.00 ATOM 329 C ARG A 43 -0.100 31.490 13.074 1.00 0.00 ATOM 330 N SER A 44 0.973 30.719 12.953 1.00 0.00 ATOM 331 CA SER A 44 2.284 31.180 13.364 1.00 0.00 ATOM 332 CB SER A 44 3.225 29.994 13.536 1.00 0.00 ATOM 333 OG SER A 44 3.663 29.480 12.300 1.00 0.00 ATOM 334 O SER A 44 3.922 32.796 12.776 1.00 0.00 ATOM 335 C SER A 44 2.924 32.154 12.409 1.00 0.00 ATOM 336 N GLY A 45 2.394 32.247 11.189 1.00 0.00 ATOM 337 CA GLY A 45 3.010 33.081 10.150 1.00 0.00 ATOM 338 O GLY A 45 4.360 32.973 8.167 1.00 0.00 ATOM 339 C GLY A 45 3.839 32.351 9.096 1.00 0.00 ATOM 340 N LEU A 46 3.918 31.028 9.189 1.00 0.00 ATOM 341 CA LEU A 46 4.624 30.232 8.190 1.00 0.00 ATOM 342 CB LEU A 46 4.713 28.761 8.554 1.00 0.00 ATOM 343 CG LEU A 46 5.744 28.261 9.522 1.00 0.00 ATOM 344 CD1 LEU A 46 5.517 26.773 9.722 1.00 0.00 ATOM 345 CD2 LEU A 46 7.152 28.554 9.043 1.00 0.00 ATOM 346 O LEU A 46 2.652 30.262 6.837 1.00 0.00 ATOM 347 C LEU A 46 3.884 30.252 6.858 1.00 0.00 ATOM 348 N ARG A 47 4.646 30.208 5.767 1.00 0.00 ATOM 349 CA ARG A 47 4.135 30.224 4.405 1.00 0.00 ATOM 350 CB ARG A 47 4.257 31.617 3.802 1.00 0.00 ATOM 351 CG ARG A 47 3.508 32.694 4.564 1.00 0.00 ATOM 352 CD ARG A 47 1.986 32.479 4.497 1.00 0.00 ATOM 353 O ARG A 47 6.058 29.022 3.716 1.00 0.00 ATOM 354 C ARG A 47 4.881 29.247 3.527 1.00 0.00 ATOM 355 N ALA A 48 4.191 28.693 2.540 1.00 0.00 ATOM 356 CA ALA A 48 4.793 27.855 1.530 1.00 0.00 ATOM 357 CB ALA A 48 3.738 27.451 0.448 1.00 0.00 ATOM 358 O ALA A 48 5.868 29.830 0.688 1.00 0.00 ATOM 359 C ALA A 48 5.976 28.616 0.913 1.00 0.00 ATOM 360 N GLN A 49 7.065 27.882 0.669 1.00 0.00 ATOM 361 CA GLN A 49 8.297 28.375 0.072 1.00 0.00 ATOM 362 CB GLN A 49 8.024 29.262 -1.115 1.00 0.00 ATOM 363 CG GLN A 49 7.398 28.528 -2.231 1.00 0.00 ATOM 364 CD GLN A 49 7.911 29.093 -3.501 1.00 0.00 ATOM 365 OE1 GLN A 49 8.866 28.580 -4.084 1.00 0.00 ATOM 366 NE2 GLN A 49 7.380 30.236 -3.867 1.00 0.00 ATOM 367 O GLN A 49 10.349 29.434 0.653 1.00 0.00 ATOM 368 C GLN A 49 9.226 29.092 1.037 1.00 0.00 ATOM 369 N ASP A 50 8.826 29.227 2.306 1.00 0.00 ATOM 370 CA ASP A 50 9.758 29.673 3.341 1.00 0.00 ATOM 371 CB ASP A 50 9.031 29.791 4.686 1.00 0.00 ATOM 372 CG ASP A 50 8.198 31.032 4.822 1.00 0.00 ATOM 373 OD1 ASP A 50 8.311 31.951 3.990 1.00 0.00 ATOM 374 OD2 ASP A 50 7.454 31.099 5.828 1.00 0.00 ATOM 375 O ASP A 50 10.763 27.477 3.364 1.00 0.00 ATOM 376 C ASP A 50 10.936 28.695 3.490 1.00 0.00 ATOM 377 N ARG A 51 12.121 29.250 3.781 1.00 0.00 ATOM 378 CA ARG A 51 13.307 28.462 4.075 1.00 0.00 ATOM 379 CB ARG A 51 14.494 28.975 3.274 1.00 0.00 ATOM 380 CG ARG A 51 15.774 28.165 3.514 1.00 0.00 ATOM 381 CD ARG A 51 16.880 28.537 2.550 1.00 0.00 ATOM 382 NE ARG A 51 17.295 29.908 2.750 1.00 0.00 ATOM 383 CZ ARG A 51 18.204 30.280 3.640 1.00 0.00 ATOM 384 NH1 ARG A 51 18.794 29.374 4.405 1.00 0.00 ATOM 385 NH2 ARG A 51 18.529 31.563 3.755 1.00 0.00 ATOM 386 O ARG A 51 13.601 29.626 6.160 1.00 0.00 ATOM 387 C ARG A 51 13.645 28.553 5.565 1.00 0.00 ATOM 388 N LEU A 52 13.929 27.396 6.156 1.00 0.00 ATOM 389 CA LEU A 52 14.157 27.272 7.569 1.00 0.00 ATOM 390 CB LEU A 52 13.774 25.871 8.009 1.00 0.00 ATOM 391 CG LEU A 52 13.629 25.510 9.459 1.00 0.00 ATOM 392 CD1 LEU A 52 12.828 26.529 10.249 1.00 0.00 ATOM 393 CD2 LEU A 52 13.017 24.075 9.573 1.00 0.00 ATOM 394 O LEU A 52 16.488 26.922 7.350 1.00 0.00 ATOM 395 C LEU A 52 15.599 27.544 7.895 1.00 0.00 ATOM 396 N ILE A 53 15.810 28.476 8.815 1.00 0.00 ATOM 397 CA ILE A 53 17.140 28.817 9.266 1.00 0.00 ATOM 398 CB ILE A 53 17.292 30.391 9.339 1.00 0.00 ATOM 399 CG1 ILE A 53 17.018 31.046 7.983 1.00 0.00 ATOM 400 CG2 ILE A 53 18.693 30.769 9.826 1.00 0.00 ATOM 401 CD1 ILE A 53 16.846 32.514 8.075 1.00 0.00 ATOM 402 O ILE A 53 18.540 27.727 10.890 1.00 0.00 ATOM 403 C ILE A 53 17.452 28.265 10.670 1.00 0.00 ATOM 404 N GLU A 54 16.535 28.478 11.638 1.00 0.00 ATOM 405 CA GLU A 54 16.720 27.982 12.988 1.00 0.00 ATOM 406 CB GLU A 54 17.017 29.103 13.997 1.00 0.00 ATOM 407 CG GLU A 54 18.282 29.916 13.695 1.00 0.00 ATOM 408 CD GLU A 54 18.693 30.867 14.817 1.00 0.00 ATOM 409 OE1 GLU A 54 17.928 30.963 15.817 1.00 0.00 ATOM 410 OE2 GLU A 54 19.822 31.470 14.723 1.00 0.00 ATOM 411 O GLU A 54 14.336 27.623 13.094 1.00 0.00 ATOM 412 C GLU A 54 15.471 27.261 13.460 1.00 0.00 ATOM 413 N VAL A 55 15.694 26.283 14.335 1.00 0.00 ATOM 414 CA VAL A 55 14.654 25.581 15.092 1.00 0.00 ATOM 415 CB VAL A 55 14.513 24.106 14.684 1.00 0.00 ATOM 416 CG1 VAL A 55 13.501 23.359 15.588 1.00 0.00 ATOM 417 CG2 VAL A 55 14.154 23.962 13.219 1.00 0.00 ATOM 418 O VAL A 55 16.057 25.304 17.025 1.00 0.00 ATOM 419 C VAL A 55 14.994 25.699 16.569 1.00 0.00 ATOM 420 N ASN A 56 14.077 26.266 17.336 1.00 0.00 ATOM 421 CA ASN A 56 14.279 26.454 18.757 1.00 0.00 ATOM 422 CB ASN A 56 14.050 25.137 19.491 1.00 0.00 ATOM 423 CG ASN A 56 12.648 24.605 19.336 1.00 0.00 ATOM 424 ND2 ASN A 56 12.508 23.281 19.408 1.00 0.00 ATOM 425 OD1 ASN A 56 11.714 25.358 19.156 1.00 0.00 ATOM 426 O ASN A 56 16.307 26.672 20.015 1.00 0.00 ATOM 427 C ASN A 56 15.628 27.098 19.101 1.00 0.00 ATOM 428 N GLY A 57 15.995 28.108 18.319 1.00 0.00 ATOM 429 CA GLY A 57 17.184 28.890 18.588 1.00 0.00 ATOM 430 O GLY A 57 19.538 28.938 18.279 1.00 0.00 ATOM 431 C GLY A 57 18.450 28.358 18.034 1.00 0.00 ATOM 432 N GLN A 58 18.395 27.196 17.393 1.00 0.00 ATOM 433 CA GLN A 58 19.563 26.497 16.860 1.00 0.00 ATOM 434 CB GLN A 58 19.603 25.058 17.396 1.00 0.00 ATOM 435 CG GLN A 58 19.595 24.967 18.920 1.00 0.00 ATOM 436 CD GLN A 58 19.755 23.545 19.449 1.00 0.00 ATOM 437 OE1 GLN A 58 19.128 22.600 18.959 1.00 0.00 ATOM 438 NE2 GLN A 58 20.576 23.395 20.476 1.00 0.00 ATOM 439 O GLN A 58 18.574 26.103 14.682 1.00 0.00 ATOM 440 C GLN A 58 19.551 26.486 15.323 1.00 0.00 ATOM 441 N ASN A 59 20.644 26.945 14.722 1.00 0.00 ATOM 442 CA ASN A 59 20.777 26.949 13.301 1.00 0.00 ATOM 443 CB ASN A 59 22.041 27.687 12.894 1.00 0.00 ATOM 444 CG ASN A 59 22.142 27.827 11.410 1.00 0.00 ATOM 445 ND2 ASN A 59 21.900 29.033 10.903 1.00 0.00 ATOM 446 OD1 ASN A 59 22.399 26.844 10.722 1.00 0.00 ATOM 447 O ASN A 59 21.472 24.649 13.344 1.00 0.00 ATOM 448 C ASN A 59 20.789 25.505 12.778 1.00 0.00 ATOM 449 N VAL A 60 19.945 25.239 11.772 1.00 0.00 ATOM 450 CA VAL A 60 19.744 23.909 11.243 1.00 0.00 ATOM 451 CB VAL A 60 18.258 23.426 11.382 1.00 0.00 ATOM 452 CG1 VAL A 60 17.924 23.313 12.868 1.00 0.00 ATOM 453 CG2 VAL A 60 17.280 24.354 10.679 1.00 0.00 ATOM 454 O VAL A 60 20.031 22.750 9.176 1.00 0.00 ATOM 455 C VAL A 60 20.230 23.786 9.817 1.00 0.00 ATOM 456 N GLU A 61 20.914 24.816 9.324 1.00 0.00 ATOM 457 CA GLU A 61 21.292 24.858 7.936 1.00 0.00 ATOM 458 CB GLU A 61 21.774 26.264 7.549 1.00 0.00 ATOM 459 CG GLU A 61 20.669 27.330 7.642 1.00 0.00 ATOM 460 CD GLU A 61 21.157 28.723 7.293 1.00 0.00 ATOM 461 OE1 GLU A 61 21.947 29.276 8.064 1.00 0.00 ATOM 462 OE2 GLU A 61 20.759 29.264 6.245 1.00 0.00 ATOM 463 O GLU A 61 22.326 23.364 6.408 1.00 0.00 ATOM 464 C GLU A 61 22.307 23.780 7.553 1.00 0.00 ATOM 465 N GLY A 62 23.084 23.287 8.501 1.00 0.00 ATOM 466 CA GLY A 62 24.008 22.181 8.225 1.00 0.00 ATOM 467 O GLY A 62 24.231 19.808 7.984 1.00 0.00 ATOM 468 C GLY A 62 23.484 20.750 8.286 1.00 0.00 ATOM 469 N LEU A 63 22.210 20.572 8.665 1.00 0.00 ATOM 470 CA LEU A 63 21.677 19.247 9.003 1.00 0.00 ATOM 471 CB LEU A 63 20.663 19.389 10.134 1.00 0.00 ATOM 472 CG LEU A 63 21.193 19.945 11.454 1.00 0.00 ATOM 473 CD1 LEU A 63 20.094 20.031 12.556 1.00 0.00 ATOM 474 CD2 LEU A 63 22.369 19.111 11.953 1.00 0.00 ATOM 475 O LEU A 63 20.437 19.119 6.952 1.00 0.00 ATOM 476 C LEU A 63 20.992 18.510 7.849 1.00 0.00 ATOM 477 N ARG A 64 20.961 17.175 7.948 1.00 0.00 ATOM 478 CA ARG A 64 20.130 16.372 7.062 1.00 0.00 ATOM 479 CB ARG A 64 20.490 14.904 7.201 1.00 0.00 ATOM 480 CG ARG A 64 21.928 14.565 6.850 1.00 0.00 ATOM 481 CD ARG A 64 22.089 13.083 7.089 1.00 0.00 ATOM 482 NE ARG A 64 23.373 12.531 6.646 1.00 0.00 ATOM 483 CZ ARG A 64 23.578 11.961 5.465 1.00 0.00 ATOM 484 NH1 ARG A 64 22.590 11.859 4.581 1.00 0.00 ATOM 485 NH2 ARG A 64 24.787 11.479 5.172 1.00 0.00 ATOM 486 O ARG A 64 18.289 16.830 8.518 1.00 0.00 ATOM 487 C ARG A 64 18.639 16.498 7.404 1.00 0.00 ATOM 488 N HIS A 65 17.782 16.248 6.421 1.00 0.00 ATOM 489 CA HIS A 65 16.340 16.310 6.610 1.00 0.00 ATOM 490 CB HIS A 65 15.641 15.655 5.402 1.00 0.00 ATOM 491 CG HIS A 65 14.146 15.686 5.464 1.00 0.00 ATOM 492 CD2 HIS A 65 13.241 14.727 5.776 1.00 0.00 ATOM 493 ND1 HIS A 65 13.424 16.828 5.198 1.00 0.00 ATOM 494 CE1 HIS A 65 12.125 16.561 5.316 1.00 0.00 ATOM 495 NE2 HIS A 65 11.990 15.303 5.705 1.00 0.00 ATOM 496 O HIS A 65 15.140 16.243 8.697 1.00 0.00 ATOM 497 C HIS A 65 15.878 15.642 7.918 1.00 0.00 ATOM 498 N ALA A 66 16.302 14.401 8.161 1.00 0.00 ATOM 499 CA ALA A 66 15.795 13.677 9.329 1.00 0.00 ATOM 500 CB ALA A 66 16.327 12.259 9.352 1.00 0.00 ATOM 501 O ALA A 66 15.388 14.338 11.607 1.00 0.00 ATOM 502 C ALA A 66 16.136 14.389 10.634 1.00 0.00 ATOM 503 N GLU A 67 17.315 14.994 10.674 1.00 0.00 ATOM 504 CA GLU A 67 17.783 15.702 11.875 1.00 0.00 ATOM 505 CB GLU A 67 19.293 16.025 11.800 1.00 0.00 ATOM 506 CG GLU A 67 20.289 14.832 11.656 1.00 0.00 ATOM 507 CD GLU A 67 21.781 15.330 11.428 1.00 0.00 ATOM 508 OE1 GLU A 67 22.130 15.755 10.289 1.00 0.00 ATOM 509 OE2 GLU A 67 22.613 15.314 12.401 1.00 0.00 ATOM 510 O GLU A 67 16.660 17.371 13.169 1.00 0.00 ATOM 511 C GLU A 67 16.966 16.985 12.056 1.00 0.00 ATOM 512 N VAL A 68 16.624 17.663 10.968 1.00 0.00 ATOM 513 CA VAL A 68 15.811 18.876 11.098 1.00 0.00 ATOM 514 CB VAL A 68 15.735 19.655 9.756 1.00 0.00 ATOM 515 CG1 VAL A 68 14.829 20.896 9.912 1.00 0.00 ATOM 516 CG2 VAL A 68 17.145 20.074 9.288 1.00 0.00 ATOM 517 O VAL A 68 13.872 19.130 12.488 1.00 0.00 ATOM 518 C VAL A 68 14.420 18.494 11.593 1.00 0.00 ATOM 519 N VAL A 69 13.877 17.410 11.062 1.00 0.00 ATOM 520 CA VAL A 69 12.572 16.875 11.542 1.00 0.00 ATOM 521 CB VAL A 69 12.174 15.605 10.764 1.00 0.00 ATOM 522 CG1 VAL A 69 11.011 14.861 11.457 1.00 0.00 ATOM 523 CG2 VAL A 69 11.813 16.004 9.305 1.00 0.00 ATOM 524 O VAL A 69 11.786 16.989 13.819 1.00 0.00 ATOM 525 C VAL A 69 12.642 16.584 13.053 1.00 0.00 ATOM 526 N ALA A 70 13.712 15.914 13.488 1.00 0.00 ATOM 527 CA ALA A 70 13.865 15.600 14.905 1.00 0.00 ATOM 528 CB ALA A 70 15.100 14.744 15.130 1.00 0.00 ATOM 529 O ALA A 70 13.308 16.978 16.825 1.00 0.00 ATOM 530 C ALA A 70 13.912 16.878 15.743 1.00 0.00 ATOM 531 N SER A 71 14.628 17.866 15.249 1.00 0.00 ATOM 532 CA SER A 71 14.731 19.122 15.980 1.00 0.00 ATOM 533 CB SER A 71 15.674 20.090 15.271 1.00 0.00 ATOM 534 OG SER A 71 16.993 19.588 15.207 1.00 0.00 ATOM 535 O SER A 71 13.029 20.296 17.220 1.00 0.00 ATOM 536 C SER A 71 13.352 19.778 16.142 1.00 0.00 ATOM 537 N ILE A 72 12.528 19.760 15.085 1.00 0.00 ATOM 538 CA ILE A 72 11.172 20.346 15.165 1.00 0.00 ATOM 539 CB ILE A 72 10.538 20.392 13.772 1.00 0.00 ATOM 540 CG1 ILE A 72 11.324 21.339 12.862 1.00 0.00 ATOM 541 CG2 ILE A 72 9.077 20.789 13.831 1.00 0.00 ATOM 542 CD1 ILE A 72 10.996 21.189 11.409 1.00 0.00 ATOM 543 O ILE A 72 9.526 20.162 16.913 1.00 0.00 ATOM 544 C ILE A 72 10.310 19.574 16.161 1.00 0.00 ATOM 545 N LYS A 73 10.485 18.251 16.208 1.00 0.00 ATOM 546 CA LYS A 73 9.688 17.424 17.083 1.00 0.00 ATOM 547 CB LYS A 73 9.625 15.999 16.526 1.00 0.00 ATOM 548 CG LYS A 73 8.859 15.828 15.197 1.00 0.00 ATOM 549 CD LYS A 73 8.823 14.310 14.796 1.00 0.00 ATOM 550 CE LYS A 73 8.098 14.049 13.506 1.00 0.00 ATOM 551 NZ LYS A 73 8.033 12.599 13.209 1.00 0.00 ATOM 552 O LYS A 73 9.651 16.653 19.366 1.00 0.00 ATOM 553 C LYS A 73 10.221 17.363 18.536 1.00 0.00 ATOM 554 N ALA A 74 11.240 18.157 18.873 1.00 0.00 ATOM 555 CA ALA A 74 11.913 17.988 20.169 1.00 0.00 ATOM 556 CB ALA A 74 13.191 18.787 20.216 1.00 0.00 ATOM 557 O ALA A 74 11.163 17.671 22.421 1.00 0.00 ATOM 558 C ALA A 74 11.053 18.327 21.387 1.00 0.00 ATOM 559 N ARG A 75 10.259 19.388 21.295 1.00 0.00 ATOM 560 CA ARG A 75 9.424 19.808 22.395 1.00 0.00 ATOM 561 CB ARG A 75 9.421 21.331 22.543 1.00 0.00 ATOM 562 CG ARG A 75 10.815 21.899 22.745 1.00 0.00 ATOM 563 CD ARG A 75 10.808 23.412 22.915 1.00 0.00 ATOM 564 NE ARG A 75 12.181 23.927 22.934 1.00 0.00 ATOM 565 CZ ARG A 75 12.519 25.160 23.272 1.00 0.00 ATOM 566 NH1 ARG A 75 11.601 26.037 23.658 1.00 0.00 ATOM 567 NH2 ARG A 75 13.797 25.503 23.245 1.00 0.00 ATOM 568 O ARG A 75 7.473 19.266 21.089 1.00 0.00 ATOM 569 C ARG A 75 7.987 19.307 22.197 1.00 0.00 ATOM 570 N GLU A 76 7.326 18.944 23.278 1.00 0.00 ATOM 571 CA GLU A 76 5.974 18.440 23.104 1.00 0.00 ATOM 572 CB GLU A 76 5.443 17.850 24.413 1.00 0.00 ATOM 573 CG GLU A 76 4.014 17.300 24.298 1.00 0.00 ATOM 574 CD GLU A 76 3.888 16.120 23.319 1.00 0.00 ATOM 575 OE1 GLU A 76 4.893 15.397 23.154 1.00 0.00 ATOM 576 OE2 GLU A 76 2.771 15.875 22.755 1.00 0.00 ATOM 577 O GLU A 76 4.174 19.145 21.758 1.00 0.00 ATOM 578 C GLU A 76 5.021 19.491 22.587 1.00 0.00 ATOM 579 N ASP A 77 5.125 20.704 23.115 1.00 0.00 ATOM 580 CA ASP A 77 4.088 21.752 23.041 1.00 0.00 ATOM 581 CB ASP A 77 4.111 22.732 24.287 1.00 0.00 ATOM 582 CG ASP A 77 3.846 22.081 25.644 1.00 0.00 ATOM 583 OD1 ASP A 77 3.263 20.997 25.715 1.00 0.00 ATOM 584 OD2 ASP A 77 4.253 22.733 26.662 1.00 0.00 ATOM 585 O ASP A 77 3.225 23.335 21.472 1.00 0.00 ATOM 586 C ASP A 77 4.184 22.683 21.847 1.00 0.00 ATOM 587 N GLU A 78 5.397 22.853 21.347 1.00 0.00 ATOM 588 CA GLU A 78 5.692 23.986 20.502 1.00 0.00 ATOM 589 CB GLU A 78 5.842 25.234 21.376 1.00 0.00 ATOM 590 CG GLU A 78 6.904 25.142 22.412 1.00 0.00 ATOM 591 CD GLU A 78 7.086 26.367 23.267 1.00 0.00 ATOM 592 OE1 GLU A 78 6.188 27.251 23.362 1.00 0.00 ATOM 593 OE2 GLU A 78 8.205 26.393 23.853 1.00 0.00 ATOM 594 O GLU A 78 7.817 22.987 20.067 1.00 0.00 ATOM 595 C GLU A 78 6.973 23.801 19.709 1.00 0.00 ATOM 596 N ALA A 79 7.122 24.641 18.694 1.00 0.00 ATOM 597 CA ALA A 79 8.355 24.795 17.945 1.00 0.00 ATOM 598 CB ALA A 79 8.379 23.881 16.761 1.00 0.00 ATOM 599 O ALA A 79 7.505 26.869 17.140 1.00 0.00 ATOM 600 C ALA A 79 8.472 26.248 17.528 1.00 0.00 ATOM 601 N ARG A 80 9.671 26.786 17.603 1.00 0.00 ATOM 602 CA ARG A 80 9.965 28.138 17.152 1.00 0.00 ATOM 603 CB ARG A 80 10.672 28.897 18.274 1.00 0.00 ATOM 604 CG ARG A 80 9.841 28.896 19.552 1.00 0.00 ATOM 605 CD ARG A 80 10.573 29.618 20.680 1.00 0.00 ATOM 606 NE ARG A 80 10.320 31.044 20.577 1.00 0.00 ATOM 607 CZ ARG A 80 9.342 31.690 21.209 1.00 0.00 ATOM 608 NH1 ARG A 80 9.195 32.976 21.000 1.00 0.00 ATOM 609 NH2 ARG A 80 8.531 31.073 22.061 1.00 0.00 ATOM 610 O ARG A 80 11.994 27.546 16.036 1.00 0.00 ATOM 611 C ARG A 80 10.842 28.012 15.936 1.00 0.00 ATOM 612 N LEU A 81 10.302 28.437 14.793 1.00 0.00 ATOM 613 CA LEU A 81 10.989 28.318 13.507 1.00 0.00 ATOM 614 CB LEU A 81 10.082 27.644 12.488 1.00 0.00 ATOM 615 CG LEU A 81 9.455 26.298 12.874 1.00 0.00 ATOM 616 CD1 LEU A 81 8.662 25.652 11.748 1.00 0.00 ATOM 617 CD2 LEU A 81 10.433 25.357 13.374 1.00 0.00 ATOM 618 O LEU A 81 10.485 30.567 12.844 1.00 0.00 ATOM 619 C LEU A 81 11.333 29.713 13.004 1.00 0.00 ATOM 620 N LEU A 82 12.610 29.934 12.761 1.00 0.00 ATOM 621 CA LEU A 82 13.083 31.181 12.142 1.00 0.00 ATOM 622 CB LEU A 82 14.451 31.593 12.709 1.00 0.00 ATOM 623 CG LEU A 82 14.913 33.011 12.295 1.00 0.00 ATOM 624 CD1 LEU A 82 14.022 34.079 12.957 1.00 0.00 ATOM 625 CD2 LEU A 82 16.366 33.220 12.640 1.00 0.00 ATOM 626 O LEU A 82 13.938 30.005 10.275 1.00 0.00 ATOM 627 C LEU A 82 13.215 30.913 10.677 1.00 0.00 ATOM 628 N VAL A 83 12.477 31.693 9.890 1.00 0.00 ATOM 629 CA VAL A 83 12.345 31.452 8.463 1.00 0.00 ATOM 630 CB VAL A 83 10.977 30.857 8.109 1.00 0.00 ATOM 631 CG1 VAL A 83 10.723 29.557 8.823 1.00 0.00 ATOM 632 CG2 VAL A 83 9.829 31.844 8.353 1.00 0.00 ATOM 633 O VAL A 83 12.433 33.851 8.152 1.00 0.00 ATOM 634 C VAL A 83 12.573 32.724 7.651 1.00 0.00 ATOM 635 N VAL A 84 12.912 32.529 6.388 1.00 0.00 ATOM 636 CA VAL A 84 12.965 33.634 5.434 1.00 0.00 ATOM 637 CB VAL A 84 14.420 33.974 5.025 1.00 0.00 ATOM 638 CG1 VAL A 84 15.183 34.548 6.186 1.00 0.00 ATOM 639 CG2 VAL A 84 15.135 32.773 4.422 1.00 0.00 ATOM 640 O VAL A 84 12.010 32.096 3.912 1.00 0.00 ATOM 641 C VAL A 84 12.150 33.263 4.212 1.00 0.00 ATOM 642 N GLY A 85 11.674 34.255 3.473 1.00 0.00 ATOM 643 CA GLY A 85 10.940 33.969 2.240 1.00 0.00 ATOM 644 O GLY A 85 13.109 33.583 1.282 1.00 0.00 ATOM 645 C GLY A 85 11.882 33.589 1.118 1.00 0.00 ATOM 646 N PRO A 86 11.320 33.222 -0.028 1.00 0.00 ATOM 647 CA PRO A 86 12.157 32.763 -1.131 1.00 0.00 ATOM 648 CB PRO A 86 11.170 32.344 -2.202 1.00 0.00 ATOM 649 CG PRO A 86 9.864 32.761 -1.788 1.00 0.00 ATOM 650 CD PRO A 86 9.883 33.124 -0.325 1.00 0.00 ATOM 651 O PRO A 86 12.824 35.022 -1.611 1.00 0.00 ATOM 652 C PRO A 86 13.116 33.829 -1.651 1.00 0.00 ATOM 653 N SER A 87 14.255 33.368 -2.140 1.00 0.00 ATOM 654 CA SER A 87 15.205 34.230 -2.780 1.00 0.00 ATOM 655 CB SER A 87 16.218 34.739 -1.775 1.00 0.00 ATOM 656 OG SER A 87 16.945 33.681 -1.234 1.00 0.00 ATOM 657 O SER A 87 16.040 32.278 -3.890 1.00 0.00 ATOM 658 C SER A 87 15.891 33.505 -3.908 1.00 0.00 ATOM 659 N THR A 88 16.336 34.285 -4.878 1.00 0.00 ATOM 660 CA THR A 88 17.034 33.761 -6.043 1.00 0.00 ATOM 661 CB THR A 88 16.024 33.587 -7.247 1.00 0.00 ATOM 662 CG2 THR A 88 16.654 32.967 -8.515 1.00 0.00 ATOM 663 OG1 THR A 88 14.959 32.725 -6.859 1.00 0.00 ATOM 664 O THR A 88 17.943 35.914 -6.516 1.00 0.00 ATOM 665 C THR A 88 18.147 34.722 -6.423 1.00 0.00 ATOM 666 N ARG A 89 19.320 34.177 -6.706 1.00 0.00 ATOM 667 CA ARG A 89 20.438 34.921 -7.289 1.00 0.00 ATOM 668 CB ARG A 89 21.780 34.249 -6.966 1.00 0.00 ATOM 669 CG ARG A 89 22.121 34.328 -5.503 1.00 0.00 ATOM 670 CD ARG A 89 23.423 33.592 -5.165 1.00 0.00 ATOM 671 NE ARG A 89 23.384 32.173 -5.543 1.00 0.00 ATOM 672 CZ ARG A 89 24.385 31.312 -5.346 1.00 0.00 ATOM 673 NH1 ARG A 89 25.516 31.698 -4.759 1.00 0.00 ATOM 674 NH2 ARG A 89 24.250 30.052 -5.731 1.00 0.00 ATOM 675 O ARG A 89 20.057 34.007 -9.450 1.00 0.00 ATOM 676 C ARG A 89 20.262 35.015 -8.784 1.00 0.00 ATOM 677 N LEU A 90 20.322 36.242 -9.299 1.00 0.00 ATOM 678 CA LEU A 90 20.146 36.551 -10.704 1.00 0.00 ATOM 679 CB LEU A 90 18.992 37.538 -10.838 1.00 0.00 ATOM 680 CG LEU A 90 17.673 36.828 -10.536 1.00 0.00 ATOM 681 CD1 LEU A 90 16.660 37.694 -9.928 1.00 0.00 ATOM 682 CD2 LEU A 90 17.168 36.318 -11.855 1.00 0.00 ATOM 683 O LEU A 90 22.263 37.622 -10.633 1.00 0.00 ATOM 684 C LEU A 90 21.361 37.141 -11.354 1.00 0.00 ENDMDL # command:# Prefix for output files set to decoys/ # command:# request to SCWRL produces command: ulimit -t 81 ; scwrl3 -i /var/tmp/to_scwrl_1457821399.pdb -s /var/tmp/to_scwrl_1457821399.seq -o /var/tmp/from_scwrl_1457821399.pdb > /var/tmp/scwrl_1457821399.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1457821399.pdb # conformation set from SCWRL output # command:# naming current conformation model1-scwrl # command:# ReadConformPDB reading from PDB file model2.ts-submitted looking for model 1 # command:# fraction of real conformation used = 1.000 # GDT_score = -88.611 # GDT_score(maxd=8.000,maxw=2.900)= -90.221 # GDT_score(maxd=8.000,maxw=3.200)= -88.632 # GDT_score(maxd=8.000,maxw=3.500)= -86.455 # GDT_score(maxd=10.000,maxw=3.800)= -87.594 # GDT_score(maxd=10.000,maxw=4.000)= -86.015 # GDT_score(maxd=10.000,maxw=4.200)= -84.370 # GDT_score(maxd=12.000,maxw=4.300)= -86.523 # GDT_score(maxd=12.000,maxw=4.500)= -84.938 # GDT_score(maxd=12.000,maxw=4.700)= -83.306 # GDT_score(maxd=14.000,maxw=5.200)= -81.708 # GDT_score(maxd=14.000,maxw=5.500)= -79.218 # command:# request to SCWRL produces command: ulimit -t 81 ; scwrl3 -i /var/tmp/to_scwrl_1407681585.pdb -s /var/tmp/to_scwrl_1407681585.seq -o /var/tmp/from_scwrl_1407681585.pdb > /var/tmp/scwrl_1407681585.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1407681585.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 48 # copying to AlignedFragments data structure # command:# fraction of real conformation used = 1.000 # GDT_score = -88.611 # GDT_score(maxd=8.000,maxw=2.900)= -90.213 # GDT_score(maxd=8.000,maxw=3.200)= -88.605 # GDT_score(maxd=8.000,maxw=3.500)= -86.582 # GDT_score(maxd=10.000,maxw=3.800)= -87.680 # GDT_score(maxd=10.000,maxw=4.000)= -86.196 # GDT_score(maxd=10.000,maxw=4.200)= -84.556 # GDT_score(maxd=12.000,maxw=4.300)= -86.691 # GDT_score(maxd=12.000,maxw=4.500)= -85.108 # GDT_score(maxd=12.000,maxw=4.700)= -83.508 # GDT_score(maxd=14.000,maxw=5.200)= -81.883 # GDT_score(maxd=14.000,maxw=5.500)= -79.266 # command:# request to SCWRL produces command: ulimit -t 81 ; scwrl3 -i /var/tmp/to_scwrl_35354932.pdb -s /var/tmp/to_scwrl_35354932.seq -o /var/tmp/from_scwrl_35354932.pdb > /var/tmp/scwrl_35354932.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_35354932.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 85 # copying to AlignedFragments data structure # command:# fraction of real conformation used = 1.000 # GDT_score = -80.556 # GDT_score(maxd=8.000,maxw=2.900)= -83.809 # GDT_score(maxd=8.000,maxw=3.200)= -80.788 # GDT_score(maxd=8.000,maxw=3.500)= -77.391 # GDT_score(maxd=10.000,maxw=3.800)= -79.444 # GDT_score(maxd=10.000,maxw=4.000)= -77.213 # GDT_score(maxd=10.000,maxw=4.200)= -74.991 # GDT_score(maxd=12.000,maxw=4.300)= -78.194 # GDT_score(maxd=12.000,maxw=4.500)= -76.041 # GDT_score(maxd=12.000,maxw=4.700)= -73.903 # GDT_score(maxd=14.000,maxw=5.200)= -72.278 # GDT_score(maxd=14.000,maxw=5.500)= -69.328 # command:# request to SCWRL produces command: ulimit -t 81 ; scwrl3 -i /var/tmp/to_scwrl_734698416.pdb -s /var/tmp/to_scwrl_734698416.seq -o /var/tmp/from_scwrl_734698416.pdb > /var/tmp/scwrl_734698416.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_734698416.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 T0340 can't currently be optimized by undertaker # command:# fraction of real conformation used = 0.956 # GDT_score = -88.611 # GDT_score(maxd=8.000,maxw=2.900)= -90.208 # GDT_score(maxd=8.000,maxw=3.200)= -88.716 # GDT_score(maxd=8.000,maxw=3.500)= -86.853 # GDT_score(maxd=10.000,maxw=3.800)= -87.638 # GDT_score(maxd=10.000,maxw=4.000)= -86.326 # GDT_score(maxd=10.000,maxw=4.200)= -84.826 # GDT_score(maxd=12.000,maxw=4.300)= -86.630 # GDT_score(maxd=12.000,maxw=4.500)= -85.155 # GDT_score(maxd=12.000,maxw=4.700)= -83.538 # GDT_score(maxd=14.000,maxw=5.200)= -81.845 # GDT_score(maxd=14.000,maxw=5.500)= -79.414 # command:# request to SCWRL produces command: ulimit -t 81 ; scwrl3 -i /var/tmp/to_scwrl_149874452.pdb -s /var/tmp/to_scwrl_149874452.seq -o /var/tmp/from_scwrl_149874452.pdb > /var/tmp/scwrl_149874452.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_149874452.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 T0340.try1-opt2.pdb looking for model 1 # Found a chain break before 48 # copying to AlignedFragments data structure # command:# fraction of real conformation used = 1.000 # GDT_score = -88.611 # GDT_score(maxd=8.000,maxw=2.900)= -90.209 # GDT_score(maxd=8.000,maxw=3.200)= -88.596 # GDT_score(maxd=8.000,maxw=3.500)= -86.571 # GDT_score(maxd=10.000,maxw=3.800)= -87.674 # GDT_score(maxd=10.000,maxw=4.000)= -86.191 # GDT_score(maxd=10.000,maxw=4.200)= -84.550 # GDT_score(maxd=12.000,maxw=4.300)= -86.691 # GDT_score(maxd=12.000,maxw=4.500)= -85.106 # GDT_score(maxd=12.000,maxw=4.700)= -83.506 # GDT_score(maxd=14.000,maxw=5.200)= -81.897 # GDT_score(maxd=14.000,maxw=5.500)= -79.375 # command:# Prefix for output files set to # command:Warning: Couldn't open file T0340.try1-real.pdb for output Error: Couldn't open file T0340.try1-real.pdb for output superimposing iter= 0 total_weight= 1044.000 rmsd (weighted)= 3.006 (unweighted)= 6.904 superimposing iter= 1 total_weight= 4616.503 rmsd (weighted)= 0.904 (unweighted)= 6.887 superimposing iter= 2 total_weight= 1827.048 rmsd (weighted)= 0.533 (unweighted)= 6.889 superimposing iter= 3 total_weight= 1009.206 rmsd (weighted)= 0.432 (unweighted)= 6.892 superimposing iter= 4 total_weight= 809.146 rmsd (weighted)= 0.393 (unweighted)= 6.896 superimposing iter= 5 total_weight= 751.815 rmsd (weighted)= 0.371 (unweighted)= 6.899 EXPDTA T0340.try1-opt2.pdb MODEL 1 REMARK 44 REMARK 44 model 1 is called T0340.try1-opt2.pdb ATOM 1 N SER A 1 17.177 35.535 1.203 1.00 0.00 ATOM 2 CA SER A 1 18.296 36.505 1.383 1.00 0.00 ATOM 3 CB SER A 1 19.352 36.314 0.293 1.00 0.00 ATOM 4 OG SER A 1 19.999 35.060 0.425 1.00 0.00 ATOM 5 O SER A 1 18.194 38.786 2.124 1.00 0.00 ATOM 6 C SER A 1 17.819 37.956 1.296 1.00 0.00 ATOM 7 N MET A 2 17.012 38.286 0.284 1.00 0.00 ATOM 8 CA MET A 2 16.501 39.640 0.104 1.00 0.00 ATOM 9 CB MET A 2 15.356 39.328 -1.197 1.00 0.00 ATOM 10 CG MET A 2 15.090 40.340 -2.273 1.00 0.00 ATOM 11 SD MET A 2 13.928 41.613 -1.669 1.00 0.00 ATOM 12 CE MET A 2 12.300 40.727 -1.848 1.00 0.00 ATOM 13 O MET A 2 15.553 41.286 1.524 1.00 0.00 ATOM 14 C MET A 2 15.671 40.087 1.295 1.00 0.00 ATOM 15 N LEU A 3 15.063 39.137 2.026 1.00 0.00 ATOM 16 CA LEU A 3 14.177 39.508 3.129 1.00 0.00 ATOM 17 CB LEU A 3 12.792 38.861 2.913 1.00 0.00 ATOM 18 CG LEU A 3 11.934 39.321 1.735 1.00 0.00 ATOM 19 CD1 LEU A 3 10.776 38.355 1.555 1.00 0.00 ATOM 20 CD2 LEU A 3 11.417 40.732 1.983 1.00 0.00 ATOM 21 O LEU A 3 15.461 38.072 4.584 1.00 0.00 ATOM 22 C LEU A 3 14.768 39.085 4.449 1.00 0.00 ATOM 23 N ARG A 4 14.451 39.842 5.485 1.00 0.00 ATOM 24 CA ARG A 4 14.947 39.579 6.824 1.00 0.00 ATOM 25 CB ARG A 4 14.698 40.791 7.758 1.00 0.00 ATOM 26 CG ARG A 4 13.263 40.864 8.287 1.00 0.00 ATOM 27 CD ARG A 4 12.452 41.946 7.582 1.00 0.00 ATOM 28 NE ARG A 4 11.088 42.057 8.106 1.00 0.00 ATOM 29 CZ ARG A 4 10.126 42.803 7.558 1.00 0.00 ATOM 30 NH1 ARG A 4 10.367 43.522 6.462 1.00 0.00 ATOM 31 NH2 ARG A 4 8.908 42.820 8.095 1.00 0.00 ATOM 32 O ARG A 4 13.212 37.940 7.129 1.00 0.00 ATOM 33 C ARG A 4 14.338 38.314 7.450 1.00 0.00 ATOM 34 N PRO A 5 15.058 37.664 8.353 1.00 0.00 ATOM 35 CA PRO A 5 14.497 36.493 9.036 1.00 0.00 ATOM 36 CB PRO A 5 15.606 36.151 10.025 1.00 0.00 ATOM 37 CG PRO A 5 16.856 36.473 9.247 1.00 0.00 ATOM 38 CD PRO A 5 16.496 37.838 8.741 1.00 0.00 ATOM 39 O PRO A 5 13.248 38.005 10.391 1.00 0.00 ATOM 40 C PRO A 5 13.324 36.877 9.890 1.00 0.00 ATOM 41 N ARG A 6 12.372 35.946 10.040 1.00 0.00 ATOM 42 CA ARG A 6 11.172 36.147 10.835 1.00 0.00 ATOM 43 CB ARG A 6 9.995 36.540 9.923 1.00 0.00 ATOM 44 CG ARG A 6 10.230 37.782 9.071 1.00 0.00 ATOM 45 CD ARG A 6 8.903 38.422 8.704 1.00 0.00 ATOM 46 NE ARG A 6 8.990 39.342 7.583 1.00 0.00 ATOM 47 CZ ARG A 6 8.121 39.344 6.575 1.00 0.00 ATOM 48 NH1 ARG A 6 7.124 38.461 6.574 1.00 0.00 ATOM 49 NH2 ARG A 6 8.254 40.213 5.582 1.00 0.00 ATOM 50 O ARG A 6 11.136 33.822 11.353 1.00 0.00 ATOM 51 C ARG A 6 10.947 34.962 11.762 1.00 0.00 ATOM 52 N LEU A 7 10.533 35.227 12.995 1.00 0.00 ATOM 53 CA LEU A 7 10.274 34.151 13.952 1.00 0.00 ATOM 54 CB LEU A 7 10.695 34.574 15.361 1.00 0.00 ATOM 55 CG LEU A 7 12.175 34.916 15.553 1.00 0.00 ATOM 56 CD1 LEU A 7 12.437 35.390 16.973 1.00 0.00 ATOM 57 CD2 LEU A 7 13.045 33.695 15.291 1.00 0.00 ATOM 58 O LEU A 7 7.961 34.626 14.353 1.00 0.00 ATOM 59 C LEU A 7 8.801 33.782 14.041 1.00 0.00 ATOM 60 N CYS A 8 8.501 32.508 13.799 1.00 0.00 ATOM 61 CA CYS A 8 7.138 31.984 13.876 1.00 0.00 ATOM 62 CB CYS A 8 6.811 31.224 12.589 1.00 0.00 ATOM 63 SG CYS A 8 6.895 32.226 11.086 1.00 0.00 ATOM 64 O CYS A 8 7.802 30.069 15.149 1.00 0.00 ATOM 65 C CYS A 8 7.047 31.039 15.066 1.00 0.00 ATOM 66 N HIS A 9 6.150 31.331 16.000 1.00 0.00 ATOM 67 CA HIS A 9 6.004 30.501 17.189 1.00 0.00 ATOM 68 CB HIS A 9 5.941 31.384 18.438 1.00 0.00 ATOM 69 CG HIS A 9 7.146 32.252 18.625 1.00 0.00 ATOM 70 CD2 HIS A 9 7.442 33.667 18.451 1.00 0.00 ATOM 71 ND1 HIS A 9 8.356 31.763 19.064 1.00 0.00 ATOM 72 CE1 HIS A 9 9.239 32.775 19.132 1.00 0.00 ATOM 73 NE2 HIS A 9 8.697 33.921 18.765 1.00 0.00 ATOM 74 O HIS A 9 3.638 30.220 17.052 1.00 0.00 ATOM 75 C HIS A 9 4.738 29.669 17.045 1.00 0.00 ATOM 76 N LEU A 10 4.900 28.362 16.931 1.00 0.00 ATOM 77 CA LEU A 10 3.758 27.468 16.737 1.00 0.00 ATOM 78 CB LEU A 10 4.047 26.416 15.664 1.00 0.00 ATOM 79 CG LEU A 10 3.831 26.851 14.213 1.00 0.00 ATOM 80 CD1 LEU A 10 4.692 28.057 13.878 1.00 0.00 ATOM 81 CD2 LEU A 10 4.194 25.726 13.256 1.00 0.00 ATOM 82 O LEU A 10 4.246 25.980 18.592 1.00 0.00 ATOM 83 C LEU A 10 3.398 26.666 17.986 1.00 0.00 ATOM 84 N ARG A 11 2.106 26.629 18.328 1.00 0.00 ATOM 85 CA ARG A 11 1.578 25.815 19.396 1.00 0.00 ATOM 86 CB ARG A 11 0.283 26.439 19.803 1.00 0.00 ATOM 87 CG ARG A 11 0.601 27.685 20.659 1.00 0.00 ATOM 88 CD ARG A 11 -0.623 28.279 21.385 1.00 0.00 ATOM 89 NE ARG A 11 -1.526 26.888 21.710 1.00 0.00 ATOM 90 CZ ARG A 11 -1.760 26.778 23.031 1.00 0.00 ATOM 91 NH1 ARG A 11 -1.396 27.747 23.852 1.00 0.00 ATOM 92 NH2 ARG A 11 -2.354 25.680 23.506 1.00 0.00 ATOM 93 O ARG A 11 0.191 24.566 17.906 1.00 0.00 ATOM 94 C ARG A 11 1.062 24.522 18.771 1.00 0.00 ATOM 95 N LYS A 12 1.578 23.371 19.204 1.00 0.00 ATOM 96 CA LYS A 12 1.146 22.115 18.587 1.00 0.00 ATOM 97 CB LYS A 12 1.892 20.930 19.206 1.00 0.00 ATOM 98 CG LYS A 12 1.546 19.587 18.584 1.00 0.00 ATOM 99 CD LYS A 12 2.368 18.466 19.198 1.00 0.00 ATOM 100 CE LYS A 12 2.041 17.127 18.558 1.00 0.00 ATOM 101 NZ LYS A 12 2.820 16.015 19.168 1.00 0.00 ATOM 102 O LYS A 12 -0.858 21.988 19.914 1.00 0.00 ATOM 103 C LYS A 12 -0.340 21.861 18.797 1.00 0.00 ATOM 104 N GLY A 13 -1.002 21.449 17.719 1.00 0.00 ATOM 105 CA GLY A 13 -2.435 21.211 17.742 1.00 0.00 ATOM 106 O GLY A 13 -2.054 18.857 17.833 1.00 0.00 ATOM 107 C GLY A 13 -2.884 19.763 17.766 1.00 0.00 ATOM 108 N PRO A 14 -4.204 19.518 17.649 1.00 0.00 ATOM 109 CA PRO A 14 -4.762 18.165 17.674 1.00 0.00 ATOM 110 CB PRO A 14 -6.218 18.356 17.246 1.00 0.00 ATOM 111 CG PRO A 14 -6.555 19.743 17.681 1.00 0.00 ATOM 112 CD PRO A 14 -5.325 20.569 17.430 1.00 0.00 ATOM 113 O PRO A 14 -3.945 15.987 17.167 1.00 0.00 ATOM 114 C PRO A 14 -4.108 17.141 16.766 1.00 0.00 ATOM 115 N GLN A 15 -3.659 17.562 15.588 1.00 0.00 ATOM 116 CA GLN A 15 -3.017 16.637 14.665 1.00 0.00 ATOM 117 CB GLN A 15 -4.109 16.742 13.311 1.00 0.00 ATOM 118 CG GLN A 15 -5.529 17.202 13.559 1.00 0.00 ATOM 119 CD GLN A 15 -6.465 16.059 13.914 1.00 0.00 ATOM 120 OE1 GLN A 15 -6.296 15.385 14.946 1.00 0.00 ATOM 121 NE2 GLN A 15 -7.466 15.834 13.060 1.00 0.00 ATOM 122 O GLN A 15 -0.894 16.327 13.591 1.00 0.00 ATOM 123 C GLN A 15 -1.535 16.950 14.437 1.00 0.00 ATOM 124 N GLY A 16 -0.995 17.894 15.145 1.00 0.00 ATOM 125 CA GLY A 16 0.403 18.246 14.967 1.00 0.00 ATOM 126 O GLY A 16 -0.094 20.568 15.257 1.00 0.00 ATOM 127 C GLY A 16 0.586 19.725 14.671 1.00 0.00 ATOM 128 N TYR A 17 1.624 20.040 13.906 1.00 0.00 ATOM 129 CA TYR A 17 1.910 21.426 13.535 1.00 0.00 ATOM 130 CB TYR A 17 3.416 21.690 13.526 1.00 0.00 ATOM 131 CG TYR A 17 4.011 21.688 14.910 1.00 0.00 ATOM 132 CD1 TYR A 17 3.630 22.642 15.848 1.00 0.00 ATOM 133 CD2 TYR A 17 4.948 20.734 15.275 1.00 0.00 ATOM 134 CE1 TYR A 17 4.174 22.652 17.127 1.00 0.00 ATOM 135 CE2 TYR A 17 5.504 20.730 16.560 1.00 0.00 ATOM 136 CZ TYR A 17 5.105 21.694 17.471 1.00 0.00 ATOM 137 OH TYR A 17 5.622 21.721 18.747 1.00 0.00 ATOM 138 O TYR A 17 0.750 22.842 11.999 1.00 0.00 ATOM 139 C TYR A 17 1.248 21.743 12.199 1.00 0.00 ATOM 140 N GLY A 18 1.169 20.761 11.321 1.00 0.00 ATOM 141 CA GLY A 18 0.468 20.992 10.075 1.00 0.00 ATOM 142 O GLY A 18 0.696 22.485 8.246 1.00 0.00 ATOM 143 C GLY A 18 1.234 21.617 8.937 1.00 0.00 ATOM 144 N PHE A 19 2.495 21.256 8.764 1.00 0.00 ATOM 145 CA PHE A 19 3.221 21.755 7.612 1.00 0.00 ATOM 146 CB PHE A 19 4.081 22.969 7.968 1.00 0.00 ATOM 147 CG PHE A 19 5.179 22.667 8.948 1.00 0.00 ATOM 148 CD1 PHE A 19 6.443 22.314 8.506 1.00 0.00 ATOM 149 CD2 PHE A 19 4.949 22.733 10.311 1.00 0.00 ATOM 150 CE1 PHE A 19 7.452 22.036 9.407 1.00 0.00 ATOM 151 CE2 PHE A 19 5.958 22.455 11.212 1.00 0.00 ATOM 152 CZ PHE A 19 7.206 22.107 10.766 1.00 0.00 ATOM 153 O PHE A 19 4.262 19.606 7.780 1.00 0.00 ATOM 154 C PHE A 19 4.127 20.645 7.118 1.00 0.00 ATOM 155 N ASN A 20 4.699 20.843 5.935 1.00 0.00 ATOM 156 CA ASN A 20 5.554 19.863 5.290 1.00 0.00 ATOM 157 CB ASN A 20 4.849 19.282 4.062 1.00 0.00 ATOM 158 CG ASN A 20 3.550 18.583 4.412 1.00 0.00 ATOM 159 ND2 ASN A 20 2.431 19.202 4.055 1.00 0.00 ATOM 160 OD1 ASN A 20 3.555 17.499 4.995 1.00 0.00 ATOM 161 O ASN A 20 6.829 21.499 4.107 1.00 0.00 ATOM 162 C ASN A 20 6.846 20.437 4.746 1.00 0.00 ATOM 163 N LEU A 21 7.945 19.720 4.998 1.00 0.00 ATOM 164 CA LEU A 21 9.267 20.137 4.552 1.00 0.00 ATOM 165 CB LEU A 21 10.235 20.017 5.730 1.00 0.00 ATOM 166 CG LEU A 21 9.881 20.820 6.983 1.00 0.00 ATOM 167 CD1 LEU A 21 10.854 20.514 8.111 1.00 0.00 ATOM 168 CD2 LEU A 21 9.939 22.314 6.700 1.00 0.00 ATOM 169 O LEU A 21 9.704 18.079 3.395 1.00 0.00 ATOM 170 C LEU A 21 9.912 19.291 3.470 1.00 0.00 ATOM 171 N HIS A 22 10.702 19.998 2.637 1.00 0.00 ATOM 172 CA HIS A 22 11.462 19.336 1.589 1.00 0.00 ATOM 173 CB HIS A 22 10.561 19.136 0.368 1.00 0.00 ATOM 174 CG HIS A 22 11.156 18.249 -0.681 1.00 0.00 ATOM 175 CD2 HIS A 22 11.115 16.826 -0.981 1.00 0.00 ATOM 176 ND1 HIS A 22 11.965 18.727 -1.689 1.00 0.00 ATOM 177 CE1 HIS A 22 12.341 17.699 -2.472 1.00 0.00 ATOM 178 NE2 HIS A 22 11.835 16.556 -2.053 1.00 0.00 ATOM 179 O HIS A 22 12.606 21.428 1.482 1.00 0.00 ATOM 180 C HIS A 22 12.620 20.231 1.204 1.00 0.00 ATOM 181 N SER A 23 13.602 19.657 0.523 1.00 0.00 ATOM 182 CA SER A 23 14.742 20.446 0.099 1.00 0.00 ATOM 183 CB SER A 23 15.947 19.537 -0.151 1.00 0.00 ATOM 184 OG SER A 23 15.750 18.735 -1.303 1.00 0.00 ATOM 185 O SER A 23 13.253 21.107 -1.649 1.00 0.00 ATOM 186 C SER A 23 14.386 21.190 -1.174 1.00 0.00 ATOM 187 N ASP A 24 15.322 21.973 -1.696 1.00 0.00 ATOM 188 CA ASP A 24 15.073 22.696 -2.930 1.00 0.00 ATOM 189 CB ASP A 24 14.930 24.195 -2.658 1.00 0.00 ATOM 190 CG ASP A 24 14.291 24.938 -3.814 1.00 0.00 ATOM 191 OD1 ASP A 24 13.805 24.272 -4.753 1.00 0.00 ATOM 192 OD2 ASP A 24 14.272 26.187 -3.781 1.00 0.00 ATOM 193 O ASP A 24 17.362 22.240 -3.460 1.00 0.00 ATOM 194 C ASP A 24 16.228 22.478 -3.883 1.00 0.00 ATOM 195 N LYS A 25 15.921 22.554 -5.173 1.00 0.00 ATOM 196 CA LYS A 25 16.909 22.354 -6.221 1.00 0.00 ATOM 197 CB LYS A 25 16.275 22.600 -7.587 1.00 0.00 ATOM 198 CG LYS A 25 17.169 22.237 -8.762 1.00 0.00 ATOM 199 CD LYS A 25 16.375 22.232 -10.064 1.00 0.00 ATOM 200 CE LYS A 25 17.240 21.827 -11.254 1.00 0.00 ATOM 201 NZ LYS A 25 18.322 22.814 -11.536 1.00 0.00 ATOM 202 O LYS A 25 17.815 24.556 -5.919 1.00 0.00 ATOM 203 C LYS A 25 18.050 23.354 -6.075 1.00 0.00 ATOM 204 N SER A 26 19.276 22.839 -6.062 1.00 0.00 ATOM 205 CA SER A 26 20.450 23.684 -5.933 1.00 0.00 ATOM 206 CB SER A 26 20.450 24.763 -7.040 1.00 0.00 ATOM 207 OG SER A 26 20.701 24.226 -8.328 1.00 0.00 ATOM 208 O SER A 26 21.093 25.550 -4.536 1.00 0.00 ATOM 209 C SER A 26 20.531 24.461 -4.605 1.00 0.00 ATOM 210 N ARG A 27 20.038 23.733 -3.452 1.00 0.00 ATOM 211 CA ARG A 27 20.128 24.275 -2.096 1.00 0.00 ATOM 212 CB ARG A 27 18.892 25.178 -1.826 1.00 0.00 ATOM 213 CG ARG A 27 18.778 26.400 -2.728 1.00 0.00 ATOM 214 CD ARG A 27 17.475 27.138 -2.469 1.00 0.00 ATOM 215 NE ARG A 27 17.299 28.296 -3.337 1.00 0.00 ATOM 216 CZ ARG A 27 16.254 29.119 -3.281 1.00 0.00 ATOM 217 NH1 ARG A 27 15.283 28.919 -2.396 1.00 0.00 ATOM 218 NH2 ARG A 27 16.174 30.150 -4.115 1.00 0.00 ATOM 219 O ARG A 27 20.137 22.035 -1.207 1.00 0.00 ATOM 220 C ARG A 27 20.435 23.220 -1.033 1.00 0.00 ATOM 221 N PRO A 28 21.024 23.667 0.074 1.00 0.00 ATOM 222 CA PRO A 28 21.405 22.780 1.172 1.00 0.00 ATOM 223 CB PRO A 28 22.577 23.499 1.841 1.00 0.00 ATOM 224 CG PRO A 28 22.343 24.945 1.554 1.00 0.00 ATOM 225 CD PRO A 28 21.715 25.000 0.188 1.00 0.00 ATOM 226 O PRO A 28 20.457 21.480 2.949 1.00 0.00 ATOM 227 C PRO A 28 20.394 22.522 2.286 1.00 0.00 ATOM 228 N GLY A 29 19.483 23.466 2.501 1.00 0.00 ATOM 229 CA GLY A 29 18.533 23.329 3.593 1.00 0.00 ATOM 230 O GLY A 29 16.806 22.403 2.177 1.00 0.00 ATOM 231 C GLY A 29 17.128 22.855 3.280 1.00 0.00 ATOM 232 N GLN A 30 16.288 22.952 4.306 1.00 0.00 ATOM 233 CA GLN A 30 14.898 22.536 4.212 1.00 0.00 ATOM 234 CB GLN A 30 14.480 21.783 5.477 1.00 0.00 ATOM 235 CG GLN A 30 15.287 20.522 5.743 1.00 0.00 ATOM 236 CD GLN A 30 15.119 19.482 4.654 1.00 0.00 ATOM 237 OE1 GLN A 30 14.000 19.103 4.311 1.00 0.00 ATOM 238 NE2 GLN A 30 16.236 19.015 4.106 1.00 0.00 ATOM 239 O GLN A 30 14.163 24.772 4.659 1.00 0.00 ATOM 240 C GLN A 30 13.960 23.724 4.051 1.00 0.00 ATOM 241 N TYR A 31 12.923 23.525 3.237 1.00 0.00 ATOM 242 CA TYR A 31 11.931 24.551 2.937 1.00 0.00 ATOM 243 CB TYR A 31 12.035 24.983 1.473 1.00 0.00 ATOM 244 CG TYR A 31 13.366 25.600 1.111 1.00 0.00 ATOM 245 CD1 TYR A 31 14.418 24.809 0.660 1.00 0.00 ATOM 246 CD2 TYR A 31 13.570 26.970 1.218 1.00 0.00 ATOM 247 CE1 TYR A 31 15.638 25.364 0.325 1.00 0.00 ATOM 248 CE2 TYR A 31 14.783 27.542 0.887 1.00 0.00 ATOM 249 CZ TYR A 31 15.821 26.726 0.438 1.00 0.00 ATOM 250 OH TYR A 31 17.035 27.281 0.105 1.00 0.00 ATOM 251 O TYR A 31 10.302 22.805 3.145 1.00 0.00 ATOM 252 C TYR A 31 10.535 24.019 3.174 1.00 0.00 ATOM 253 N ILE A 32 9.594 24.923 3.408 1.00 0.00 ATOM 254 CA ILE A 32 8.212 24.515 3.635 1.00 0.00 ATOM 255 CB ILE A 32 7.410 25.622 4.343 1.00 0.00 ATOM 256 CG1 ILE A 32 8.012 25.919 5.718 1.00 0.00 ATOM 257 CG2 ILE A 32 5.963 25.194 4.532 1.00 0.00 ATOM 258 CD1 ILE A 32 7.432 27.149 6.385 1.00 0.00 ATOM 259 O ILE A 32 7.390 25.067 1.444 1.00 0.00 ATOM 260 C ILE A 32 7.545 24.204 2.304 1.00 0.00 ATOM 261 N ARG A 33 7.179 22.945 2.129 1.00 0.00 ATOM 262 CA ARG A 33 6.534 22.499 0.900 1.00 0.00 ATOM 263 CB ARG A 33 6.619 20.976 0.770 1.00 0.00 ATOM 264 CG ARG A 33 6.061 20.433 -0.535 1.00 0.00 ATOM 265 CD ARG A 33 6.287 18.935 -0.652 1.00 0.00 ATOM 266 NE ARG A 33 5.788 18.403 -1.917 1.00 0.00 ATOM 267 CZ ARG A 33 5.828 17.118 -2.255 1.00 0.00 ATOM 268 NH1 ARG A 33 5.351 16.726 -3.428 1.00 0.00 ATOM 269 NH2 ARG A 33 6.344 16.228 -1.418 1.00 0.00 ATOM 270 O ARG A 33 4.540 23.268 -0.203 1.00 0.00 ATOM 271 C ARG A 33 5.055 22.890 0.852 1.00 0.00 ATOM 272 N SER A 34 4.377 22.801 1.993 1.00 0.00 ATOM 273 CA SER A 34 2.957 23.088 2.077 1.00 0.00 ATOM 274 CB SER A 34 2.161 21.913 1.505 1.00 0.00 ATOM 275 OG SER A 34 0.763 22.159 1.524 1.00 0.00 ATOM 276 O SER A 34 3.177 22.755 4.437 1.00 0.00 ATOM 277 C SER A 34 2.592 23.352 3.526 1.00 0.00 ATOM 278 N VAL A 35 1.651 24.271 3.731 1.00 0.00 ATOM 279 CA VAL A 35 1.135 24.580 5.061 1.00 0.00 ATOM 280 CB VAL A 35 1.231 26.080 5.392 1.00 0.00 ATOM 281 CG1 VAL A 35 0.632 26.363 6.760 1.00 0.00 ATOM 282 CG2 VAL A 35 2.685 26.532 5.400 1.00 0.00 ATOM 283 O VAL A 35 -1.075 24.481 4.091 1.00 0.00 ATOM 284 C VAL A 35 -0.325 24.111 4.997 1.00 0.00 ATOM 285 N ASP A 36 -0.740 23.279 5.939 1.00 0.00 ATOM 286 CA ASP A 36 -2.112 22.791 5.913 1.00 0.00 ATOM 287 CB ASP A 36 -2.254 21.524 6.759 1.00 0.00 ATOM 288 CG ASP A 36 -1.496 20.347 6.177 1.00 0.00 ATOM 289 OD1 ASP A 36 -1.613 20.110 4.956 1.00 0.00 ATOM 290 OD2 ASP A 36 -0.783 19.663 6.941 1.00 0.00 ATOM 291 O ASP A 36 -2.788 24.481 7.480 1.00 0.00 ATOM 292 C ASP A 36 -3.063 23.841 6.464 1.00 0.00 ATOM 293 N PRO A 37 -4.193 24.062 5.775 1.00 0.00 ATOM 294 CA PRO A 37 -5.171 25.047 6.235 1.00 0.00 ATOM 295 CB PRO A 37 -6.306 24.945 5.214 1.00 0.00 ATOM 296 CG PRO A 37 -5.653 24.427 3.978 1.00 0.00 ATOM 297 CD PRO A 37 -4.606 23.450 4.437 1.00 0.00 ATOM 298 O PRO A 37 -5.905 23.556 7.951 1.00 0.00 ATOM 299 C PRO A 37 -5.659 24.719 7.640 1.00 0.00 ATOM 300 N GLY A 38 -5.797 25.760 8.464 1.00 0.00 ATOM 301 CA GLY A 38 -6.261 25.630 9.833 1.00 0.00 ATOM 302 O GLY A 38 -5.545 25.016 12.030 1.00 0.00 ATOM 303 C GLY A 38 -5.245 25.126 10.842 1.00 0.00 ATOM 304 N SER A 39 -4.036 24.854 10.376 1.00 0.00 ATOM 305 CA SER A 39 -2.987 24.308 11.229 1.00 0.00 ATOM 306 CB SER A 39 -1.884 23.668 10.384 1.00 0.00 ATOM 307 OG SER A 39 -1.192 24.644 9.624 1.00 0.00 ATOM 308 O SER A 39 -2.389 26.504 11.945 1.00 0.00 ATOM 309 C SER A 39 -2.280 25.299 12.125 1.00 0.00 ATOM 310 N PRO A 40 -1.569 24.787 13.137 1.00 0.00 ATOM 311 CA PRO A 40 -0.827 25.690 14.020 1.00 0.00 ATOM 312 CB PRO A 40 -0.172 24.754 15.038 1.00 0.00 ATOM 313 CG PRO A 40 -1.063 23.558 15.073 1.00 0.00 ATOM 314 CD PRO A 40 -1.542 23.355 13.663 1.00 0.00 ATOM 315 O PRO A 40 0.493 27.617 13.414 1.00 0.00 ATOM 316 C PRO A 40 0.187 26.457 13.152 1.00 0.00 ATOM 317 N ALA A 41 0.709 25.803 12.124 1.00 0.00 ATOM 318 CA ALA A 41 1.657 26.451 11.220 1.00 0.00 ATOM 319 CB ALA A 41 2.108 25.479 10.140 1.00 0.00 ATOM 320 O ALA A 41 1.575 28.741 10.538 1.00 0.00 ATOM 321 C ALA A 41 0.984 27.666 10.588 1.00 0.00 ATOM 322 N ALA A 42 -0.215 27.494 10.099 1.00 0.00 ATOM 323 CA ALA A 42 -0.906 28.640 9.469 1.00 0.00 ATOM 324 CB ALA A 42 -2.247 28.210 8.893 1.00 0.00 ATOM 325 O ALA A 42 -0.894 30.917 10.227 1.00 0.00 ATOM 326 C ALA A 42 -1.158 29.747 10.502 1.00 0.00 ATOM 327 N ARG A 43 -1.589 29.366 11.704 1.00 0.00 ATOM 328 CA ARG A 43 -1.876 30.339 12.763 1.00 0.00 ATOM 329 CB ARG A 43 -2.615 29.519 13.928 1.00 0.00 ATOM 330 CG ARG A 43 -3.932 28.837 13.574 1.00 0.00 ATOM 331 CD ARG A 43 -5.111 29.794 13.622 1.00 0.00 ATOM 332 NE ARG A 43 -5.251 30.567 12.421 1.00 0.00 ATOM 333 CZ ARG A 43 -6.115 31.544 12.218 1.00 0.00 ATOM 334 NH1 ARG A 43 -6.950 31.916 13.190 1.00 0.00 ATOM 335 NH2 ARG A 43 -6.226 32.137 11.034 1.00 0.00 ATOM 336 O ARG A 43 -0.780 32.164 13.802 1.00 0.00 ATOM 337 C ARG A 43 -0.641 31.098 13.235 1.00 0.00 ATOM 338 N SER A 44 0.536 30.507 13.030 1.00 0.00 ATOM 339 CA SER A 44 1.785 31.172 13.406 1.00 0.00 ATOM 340 CB SER A 44 2.823 30.138 13.848 1.00 0.00 ATOM 341 OG SER A 44 2.397 29.454 15.013 1.00 0.00 ATOM 342 O SER A 44 3.448 32.573 12.418 1.00 0.00 ATOM 343 C SER A 44 2.388 31.968 12.255 1.00 0.00 ATOM 344 N GLY A 45 1.738 31.943 11.094 1.00 0.00 ATOM 345 CA GLY A 45 2.227 32.709 9.957 1.00 0.00 ATOM 346 O GLY A 45 3.904 32.728 8.255 1.00 0.00 ATOM 347 C GLY A 45 3.229 32.049 9.035 1.00 0.00 ATOM 348 N LEU A 46 3.338 30.729 9.093 1.00 0.00 ATOM 349 CA LEU A 46 4.275 30.050 8.199 1.00 0.00 ATOM 350 CB LEU A 46 4.492 28.603 8.645 1.00 0.00 ATOM 351 CG LEU A 46 5.165 28.406 10.006 1.00 0.00 ATOM 352 CD1 LEU A 46 5.208 26.931 10.377 1.00 0.00 ATOM 353 CD2 LEU A 46 6.592 28.931 9.981 1.00 0.00 ATOM 354 O LEU A 46 2.472 30.020 6.598 1.00 0.00 ATOM 355 C LEU A 46 3.693 30.070 6.770 1.00 0.00 ATOM 356 N ARG A 47 4.606 30.126 5.783 1.00 0.00 ATOM 357 CA ARG A 47 4.159 30.131 4.382 1.00 0.00 ATOM 358 CB ARG A 47 4.232 31.568 3.808 1.00 0.00 ATOM 359 CG ARG A 47 3.437 32.587 4.581 1.00 0.00 ATOM 360 CD ARG A 47 3.480 33.959 3.901 1.00 0.00 ATOM 361 NE ARG A 47 2.794 33.938 2.608 1.00 0.00 ATOM 362 CZ ARG A 47 1.495 34.048 2.434 1.00 0.00 ATOM 363 NH1 ARG A 47 0.679 34.321 3.452 1.00 0.00 ATOM 364 NH2 ARG A 47 1.011 33.974 1.199 1.00 0.00 ATOM 365 O ARG A 47 5.974 28.854 3.645 1.00 0.00 ATOM 366 C ARG A 47 4.844 29.206 3.459 1.00 0.00 ATOM 367 N ALA A 48 4.172 28.701 2.423 1.00 0.00 ATOM 368 CA ALA A 48 4.872 27.772 1.500 1.00 0.00 ATOM 369 CB ALA A 48 3.909 27.183 0.537 1.00 0.00 ATOM 370 O ALA A 48 5.812 29.784 0.546 1.00 0.00 ATOM 371 C ALA A 48 5.992 28.591 0.859 1.00 0.00 ATOM 372 N GLN A 49 7.238 27.921 0.684 1.00 0.00 ATOM 373 CA GLN A 49 8.404 28.587 0.127 1.00 0.00 ATOM 374 CB GLN A 49 8.049 29.856 -0.629 1.00 0.00 ATOM 375 CG GLN A 49 7.108 29.560 -1.819 1.00 0.00 ATOM 376 CD GLN A 49 7.672 28.652 -2.907 1.00 0.00 ATOM 377 OE1 GLN A 49 6.897 27.958 -3.553 1.00 0.00 ATOM 378 NE2 GLN A 49 8.960 28.634 -3.111 1.00 0.00 ATOM 379 O GLN A 49 10.490 29.518 0.825 1.00 0.00 ATOM 380 C GLN A 49 9.364 29.145 1.167 1.00 0.00 ATOM 381 N ASP A 50 8.938 29.203 2.429 1.00 0.00 ATOM 382 CA ASP A 50 9.810 29.701 3.502 1.00 0.00 ATOM 383 CB ASP A 50 9.063 29.714 4.837 1.00 0.00 ATOM 384 CG ASP A 50 8.038 30.829 4.920 1.00 0.00 ATOM 385 OD1 ASP A 50 8.040 31.706 4.031 1.00 0.00 ATOM 386 OD2 ASP A 50 7.232 30.825 5.874 1.00 0.00 ATOM 387 O ASP A 50 10.919 27.566 3.580 1.00 0.00 ATOM 388 C ASP A 50 11.027 28.800 3.657 1.00 0.00 ATOM 389 N ARG A 51 12.189 29.420 3.852 1.00 0.00 ATOM 390 CA ARG A 51 13.434 28.683 4.076 1.00 0.00 ATOM 391 CB ARG A 51 14.611 29.412 3.475 1.00 0.00 ATOM 392 CG ARG A 51 15.933 28.666 3.654 1.00 0.00 ATOM 393 CD ARG A 51 17.086 29.466 3.092 1.00 0.00 ATOM 394 NE ARG A 51 18.300 28.645 3.056 1.00 0.00 ATOM 395 CZ ARG A 51 19.515 29.115 2.824 1.00 0.00 ATOM 396 NH1 ARG A 51 19.714 30.419 2.633 1.00 0.00 ATOM 397 NH2 ARG A 51 20.535 28.272 2.830 1.00 0.00 ATOM 398 O ARG A 51 13.558 29.632 6.272 1.00 0.00 ATOM 399 C ARG A 51 13.637 28.617 5.587 1.00 0.00 ATOM 400 N LEU A 52 13.934 27.434 6.113 1.00 0.00 ATOM 401 CA LEU A 52 14.154 27.287 7.548 1.00 0.00 ATOM 402 CB LEU A 52 13.825 25.862 8.000 1.00 0.00 ATOM 403 CG LEU A 52 12.383 25.400 7.791 1.00 0.00 ATOM 404 CD1 LEU A 52 12.224 23.938 8.180 1.00 0.00 ATOM 405 CD2 LEU A 52 11.425 26.224 8.640 1.00 0.00 ATOM 406 O LEU A 52 16.507 26.895 7.415 1.00 0.00 ATOM 407 C LEU A 52 15.604 27.573 7.904 1.00 0.00 ATOM 408 N ILE A 53 15.811 28.545 8.790 1.00 0.00 ATOM 409 CA ILE A 53 17.148 28.919 9.247 1.00 0.00 ATOM 410 CB ILE A 53 17.294 30.447 9.372 1.00 0.00 ATOM 411 CG1 ILE A 53 16.988 31.123 8.035 1.00 0.00 ATOM 412 CG2 ILE A 53 18.712 30.814 9.785 1.00 0.00 ATOM 413 CD1 ILE A 53 17.878 30.665 6.900 1.00 0.00 ATOM 414 O ILE A 53 18.484 27.709 10.832 1.00 0.00 ATOM 415 C ILE A 53 17.423 28.297 10.621 1.00 0.00 ATOM 416 N GLU A 54 16.463 28.399 11.541 1.00 0.00 ATOM 417 CA GLU A 54 16.626 27.806 12.876 1.00 0.00 ATOM 418 CB GLU A 54 16.987 28.884 13.901 1.00 0.00 ATOM 419 CG GLU A 54 18.319 29.569 13.637 1.00 0.00 ATOM 420 CD GLU A 54 18.652 30.615 14.681 1.00 0.00 ATOM 421 OE1 GLU A 54 17.820 30.838 15.587 1.00 0.00 ATOM 422 OE2 GLU A 54 19.745 31.213 14.595 1.00 0.00 ATOM 423 O GLU A 54 14.274 27.706 13.208 1.00 0.00 ATOM 424 C GLU A 54 15.359 27.136 13.362 1.00 0.00 ATOM 425 N VAL A 55 15.543 26.094 14.170 1.00 0.00 ATOM 426 CA VAL A 55 14.437 25.397 14.825 1.00 0.00 ATOM 427 CB VAL A 55 14.315 23.947 14.322 1.00 0.00 ATOM 428 CG1 VAL A 55 13.175 23.231 15.030 1.00 0.00 ATOM 429 CG2 VAL A 55 14.041 23.924 12.826 1.00 0.00 ATOM 430 O VAL A 55 15.812 24.878 16.734 1.00 0.00 ATOM 431 C VAL A 55 14.795 25.441 16.313 1.00 0.00 ATOM 432 N ASN A 56 13.943 26.088 17.103 1.00 0.00 ATOM 433 CA ASN A 56 14.161 26.260 18.537 1.00 0.00 ATOM 434 CB ASN A 56 13.594 25.067 19.473 1.00 0.00 ATOM 435 CG ASN A 56 12.404 24.390 18.829 1.00 0.00 ATOM 436 ND2 ASN A 56 12.583 23.147 18.426 1.00 0.00 ATOM 437 OD1 ASN A 56 11.343 24.989 18.645 1.00 0.00 ATOM 438 O ASN A 56 16.167 26.444 19.888 1.00 0.00 ATOM 439 C ASN A 56 15.547 26.809 18.879 1.00 0.00 ATOM 440 N GLY A 57 15.997 27.744 18.043 1.00 0.00 ATOM 441 CA GLY A 57 17.260 28.423 18.262 1.00 0.00 ATOM 442 O GLY A 57 19.574 28.344 17.687 1.00 0.00 ATOM 443 C GLY A 57 18.487 27.771 17.648 1.00 0.00 ATOM 444 N GLN A 58 18.345 26.564 17.127 1.00 0.00 ATOM 445 CA GLN A 58 19.470 25.868 16.518 1.00 0.00 ATOM 446 CB GLN A 58 19.338 24.380 16.837 1.00 0.00 ATOM 447 CG GLN A 58 19.380 24.080 18.319 1.00 0.00 ATOM 448 CD GLN A 58 20.626 24.641 18.988 1.00 0.00 ATOM 449 OE1 GLN A 58 21.752 24.365 18.564 1.00 0.00 ATOM 450 NE2 GLN A 58 20.428 25.436 20.035 1.00 0.00 ATOM 451 O GLN A 58 18.465 25.897 14.339 1.00 0.00 ATOM 452 C GLN A 58 19.490 26.049 15.005 1.00 0.00 ATOM 453 N ASN A 59 20.659 26.350 14.451 1.00 0.00 ATOM 454 CA ASN A 59 20.777 26.547 13.016 1.00 0.00 ATOM 455 CB ASN A 59 22.257 26.745 12.719 1.00 0.00 ATOM 456 CG ASN A 59 22.565 28.198 13.064 1.00 0.00 ATOM 457 ND2 ASN A 59 23.654 28.453 13.791 1.00 0.00 ATOM 458 OD1 ASN A 59 21.781 29.122 12.826 1.00 0.00 ATOM 459 O ASN A 59 21.254 24.220 12.593 1.00 0.00 ATOM 460 C ASN A 59 20.604 25.224 12.275 1.00 0.00 ATOM 461 N VAL A 60 19.730 25.220 11.274 1.00 0.00 ATOM 462 CA VAL A 60 19.462 24.003 10.511 1.00 0.00 ATOM 463 CB VAL A 60 17.994 23.558 10.646 1.00 0.00 ATOM 464 CG1 VAL A 60 17.687 23.165 12.083 1.00 0.00 ATOM 465 CG2 VAL A 60 17.055 24.687 10.247 1.00 0.00 ATOM 466 O VAL A 60 19.316 23.358 8.197 1.00 0.00 ATOM 467 C VAL A 60 19.732 24.179 9.019 1.00 0.00 ATOM 468 N GLU A 61 20.459 25.235 8.675 1.00 0.00 ATOM 469 CA GLU A 61 20.751 25.521 7.275 1.00 0.00 ATOM 470 CB GLU A 61 21.595 26.791 7.152 1.00 0.00 ATOM 471 CG GLU A 61 20.841 28.071 7.474 1.00 0.00 ATOM 472 CD GLU A 61 21.731 29.298 7.434 1.00 0.00 ATOM 473 OE1 GLU A 61 22.950 29.140 7.223 1.00 0.00 ATOM 474 OE2 GLU A 61 21.207 30.417 7.614 1.00 0.00 ATOM 475 O GLU A 61 21.335 24.236 5.346 1.00 0.00 ATOM 476 C GLU A 61 21.496 24.405 6.553 1.00 0.00 ATOM 477 N GLY A 62 22.314 23.665 7.260 1.00 0.00 ATOM 478 CA GLY A 62 23.076 22.596 6.632 1.00 0.00 ATOM 479 O GLY A 62 23.370 20.229 6.690 1.00 0.00 ATOM 480 C GLY A 62 22.675 21.189 7.029 1.00 0.00 ATOM 481 N LEU A 63 21.591 21.075 7.780 1.00 0.00 ATOM 482 CA LEU A 63 21.142 19.766 8.243 1.00 0.00 ATOM 483 CB LEU A 63 20.290 19.937 9.540 1.00 0.00 ATOM 484 CG LEU A 63 21.009 20.681 10.671 1.00 0.00 ATOM 485 CD1 LEU A 63 20.127 20.688 11.937 1.00 0.00 ATOM 486 CD2 LEU A 63 22.330 20.024 10.984 1.00 0.00 ATOM 487 O LEU A 63 19.753 19.663 6.288 1.00 0.00 ATOM 488 C LEU A 63 20.284 19.051 7.214 1.00 0.00 ATOM 489 N ARG A 64 20.178 17.737 7.382 1.00 0.00 ATOM 490 CA ARG A 64 19.394 16.911 6.476 1.00 0.00 ATOM 491 CB ARG A 64 19.623 15.453 6.814 1.00 0.00 ATOM 492 CG ARG A 64 18.866 14.480 5.932 1.00 0.00 ATOM 493 CD ARG A 64 19.639 13.153 5.848 1.00 0.00 ATOM 494 NE ARG A 64 19.633 12.426 7.111 1.00 0.00 ATOM 495 CZ ARG A 64 20.601 11.609 7.526 1.00 0.00 ATOM 496 NH1 ARG A 64 21.684 11.398 6.789 1.00 0.00 ATOM 497 NH2 ARG A 64 20.476 10.991 8.688 1.00 0.00 ATOM 498 O ARG A 64 17.487 17.612 7.775 1.00 0.00 ATOM 499 C ARG A 64 17.904 17.034 6.767 1.00 0.00 ATOM 500 N HIS A 65 17.107 16.532 5.836 1.00 0.00 ATOM 501 CA HIS A 65 15.664 16.525 5.996 1.00 0.00 ATOM 502 CB HIS A 65 15.002 15.790 4.829 1.00 0.00 ATOM 503 CG HIS A 65 13.519 15.648 4.968 1.00 0.00 ATOM 504 CD2 HIS A 65 12.608 14.571 5.328 1.00 0.00 ATOM 505 ND1 HIS A 65 12.646 16.690 4.736 1.00 0.00 ATOM 506 CE1 HIS A 65 11.388 16.260 4.940 1.00 0.00 ATOM 507 NE2 HIS A 65 11.357 14.990 5.295 1.00 0.00 ATOM 508 O HIS A 65 14.468 16.350 8.075 1.00 0.00 ATOM 509 C HIS A 65 15.273 15.813 7.297 1.00 0.00 ATOM 510 N ALA A 66 15.849 14.645 7.550 1.00 0.00 ATOM 511 CA ALA A 66 15.465 13.852 8.723 1.00 0.00 ATOM 512 CB ALA A 66 16.167 12.503 8.763 1.00 0.00 ATOM 513 O ALA A 66 15.133 14.491 10.997 1.00 0.00 ATOM 514 C ALA A 66 15.860 14.554 10.002 1.00 0.00 ATOM 515 N GLU A 67 17.002 15.229 9.980 1.00 0.00 ATOM 516 CA GLU A 67 17.473 15.928 11.167 1.00 0.00 ATOM 517 CB GLU A 67 18.898 16.408 11.005 1.00 0.00 ATOM 518 CG GLU A 67 19.900 15.259 10.848 1.00 0.00 ATOM 519 CD GLU A 67 19.777 14.235 11.987 1.00 0.00 ATOM 520 OE1 GLU A 67 19.648 13.034 11.690 1.00 0.00 ATOM 521 OE2 GLU A 67 19.783 14.654 13.165 1.00 0.00 ATOM 522 O GLU A 67 16.135 17.218 12.654 1.00 0.00 ATOM 523 C GLU A 67 16.521 17.065 11.499 1.00 0.00 ATOM 524 N VAL A 68 16.134 17.828 10.502 1.00 0.00 ATOM 525 CA VAL A 68 15.235 18.958 10.735 1.00 0.00 ATOM 526 CB VAL A 68 15.125 19.852 9.480 1.00 0.00 ATOM 527 CG1 VAL A 68 13.984 20.824 9.576 1.00 0.00 ATOM 528 CG2 VAL A 68 16.456 20.566 9.261 1.00 0.00 ATOM 529 O VAL A 68 13.286 19.015 12.117 1.00 0.00 ATOM 530 C VAL A 68 13.869 18.460 11.192 1.00 0.00 ATOM 531 N VAL A 69 13.349 17.443 10.516 1.00 0.00 ATOM 532 CA VAL A 69 12.058 16.873 10.875 1.00 0.00 ATOM 533 CB VAL A 69 11.697 15.676 9.976 1.00 0.00 ATOM 534 CG1 VAL A 69 10.450 14.977 10.493 1.00 0.00 ATOM 535 CG2 VAL A 69 11.433 16.142 8.552 1.00 0.00 ATOM 536 O VAL A 69 11.093 16.625 13.063 1.00 0.00 ATOM 537 C VAL A 69 12.048 16.386 12.327 1.00 0.00 ATOM 538 N ALA A 70 13.112 15.717 12.735 1.00 0.00 ATOM 539 CA ALA A 70 13.203 15.217 14.102 1.00 0.00 ATOM 540 CB ALA A 70 14.460 14.386 14.308 1.00 0.00 ATOM 541 O ALA A 70 12.559 16.202 16.180 1.00 0.00 ATOM 542 C ALA A 70 13.180 16.346 15.127 1.00 0.00 ATOM 543 N SER A 71 13.893 17.442 14.855 1.00 0.00 ATOM 544 CA SER A 71 13.883 18.571 15.764 1.00 0.00 ATOM 545 CB SER A 71 14.746 19.718 15.233 1.00 0.00 ATOM 546 OG SER A 71 16.101 19.325 15.118 1.00 0.00 ATOM 547 O SER A 71 12.035 19.245 17.136 1.00 0.00 ATOM 548 C SER A 71 12.444 19.027 16.001 1.00 0.00 ATOM 549 N ILE A 72 11.652 19.060 14.939 1.00 0.00 ATOM 550 CA ILE A 72 10.259 19.491 15.038 1.00 0.00 ATOM 551 CB ILE A 72 9.751 19.828 13.592 1.00 0.00 ATOM 552 CG1 ILE A 72 10.379 21.089 13.010 1.00 0.00 ATOM 553 CG2 ILE A 72 8.211 19.975 13.605 1.00 0.00 ATOM 554 CD1 ILE A 72 10.157 21.354 11.563 1.00 0.00 ATOM 555 O ILE A 72 8.544 18.786 16.579 1.00 0.00 ATOM 556 C ILE A 72 9.352 18.457 15.704 1.00 0.00 ATOM 557 N LYS A 73 9.496 17.199 15.307 1.00 0.00 ATOM 558 CA LYS A 73 8.649 16.156 15.874 1.00 0.00 ATOM 559 CB LYS A 73 8.956 14.804 15.225 1.00 0.00 ATOM 560 CG LYS A 73 8.087 13.663 15.725 1.00 0.00 ATOM 561 CD LYS A 73 8.385 12.373 14.979 1.00 0.00 ATOM 562 CE LYS A 73 7.501 11.237 15.467 1.00 0.00 ATOM 563 NZ LYS A 73 7.781 9.966 14.743 1.00 0.00 ATOM 564 O LYS A 73 7.904 15.767 18.122 1.00 0.00 ATOM 565 C LYS A 73 8.851 16.029 17.381 1.00 0.00 ATOM 566 N ALA A 74 10.085 16.186 17.832 1.00 0.00 ATOM 567 CA ALA A 74 10.413 16.071 19.248 1.00 0.00 ATOM 568 CB ALA A 74 11.910 15.885 19.449 1.00 0.00 ATOM 569 O ALA A 74 10.099 17.257 21.294 1.00 0.00 ATOM 570 C ALA A 74 9.986 17.283 20.078 1.00 0.00 ATOM 571 N ARG A 75 9.518 18.346 19.425 1.00 0.00 ATOM 572 CA ARG A 75 9.023 19.536 20.133 1.00 0.00 ATOM 573 CB ARG A 75 9.228 20.784 19.273 1.00 0.00 ATOM 574 CG ARG A 75 10.681 21.066 18.924 1.00 0.00 ATOM 575 CD ARG A 75 11.515 21.288 20.175 1.00 0.00 ATOM 576 NE ARG A 75 11.123 22.502 20.888 1.00 0.00 ATOM 577 CZ ARG A 75 11.503 22.796 22.127 1.00 0.00 ATOM 578 NH1 ARG A 75 11.097 23.924 22.694 1.00 0.00 ATOM 579 NH2 ARG A 75 12.289 21.964 22.796 1.00 0.00 ATOM 580 O ARG A 75 6.699 19.467 19.497 1.00 0.00 ATOM 581 C ARG A 75 7.544 19.204 20.351 1.00 0.00 ATOM 582 N GLU A 76 7.220 18.672 21.524 1.00 0.00 ATOM 583 CA GLU A 76 5.869 18.204 21.786 1.00 0.00 ATOM 584 CB GLU A 76 5.841 17.348 23.077 1.00 0.00 ATOM 585 CG GLU A 76 6.569 16.010 22.938 1.00 0.00 ATOM 586 CD GLU A 76 5.952 15.046 21.922 1.00 0.00 ATOM 587 OE1 GLU A 76 4.710 15.080 21.754 1.00 0.00 ATOM 588 OE2 GLU A 76 6.686 14.232 21.309 1.00 0.00 ATOM 589 O GLU A 76 3.656 19.077 21.519 1.00 0.00 ATOM 590 C GLU A 76 4.797 19.279 21.934 1.00 0.00 ATOM 591 N ASP A 77 5.151 20.406 22.546 1.00 0.00 ATOM 592 CA ASP A 77 4.188 21.481 22.772 1.00 0.00 ATOM 593 CB ASP A 77 4.372 21.967 24.211 1.00 0.00 ATOM 594 CG ASP A 77 4.208 20.855 25.228 1.00 0.00 ATOM 595 OD1 ASP A 77 3.142 20.205 25.231 1.00 0.00 ATOM 596 OD2 ASP A 77 5.147 20.632 26.021 1.00 0.00 ATOM 597 O ASP A 77 3.177 23.218 21.499 1.00 0.00 ATOM 598 C ASP A 77 4.226 22.713 21.904 1.00 0.00 ATOM 599 N GLU A 78 5.430 23.193 21.616 1.00 0.00 ATOM 600 CA GLU A 78 5.612 24.386 20.806 1.00 0.00 ATOM 601 CB GLU A 78 5.589 25.630 21.695 1.00 0.00 ATOM 602 CG GLU A 78 6.724 25.693 22.705 1.00 0.00 ATOM 603 CD GLU A 78 6.611 26.884 23.635 1.00 0.00 ATOM 604 OE1 GLU A 78 5.654 27.672 23.479 1.00 0.00 ATOM 605 OE2 GLU A 78 7.480 27.031 24.520 1.00 0.00 ATOM 606 O GLU A 78 7.891 23.684 20.564 1.00 0.00 ATOM 607 C GLU A 78 6.947 24.314 20.084 1.00 0.00 ATOM 608 N ALA A 79 7.008 24.985 18.960 1.00 0.00 ATOM 609 CA ALA A 79 8.235 25.063 18.189 1.00 0.00 ATOM 610 CB ALA A 79 8.232 24.038 17.064 1.00 0.00 ATOM 611 O ALA A 79 7.463 27.033 17.054 1.00 0.00 ATOM 612 C ALA A 79 8.409 26.450 17.594 1.00 0.00 ATOM 613 N ARG A 80 9.623 26.975 17.717 1.00 0.00 ATOM 614 CA ARG A 80 9.971 28.299 17.204 1.00 0.00 ATOM 615 CB ARG A 80 10.641 29.122 18.347 1.00 0.00 ATOM 616 CG ARG A 80 9.971 29.034 19.764 1.00 0.00 ATOM 617 CD ARG A 80 10.983 29.109 20.941 1.00 0.00 ATOM 618 NE ARG A 80 10.357 29.220 22.269 1.00 0.00 ATOM 619 CZ ARG A 80 9.790 30.329 22.737 1.00 0.00 ATOM 620 NH1 ARG A 80 9.774 31.441 22.012 1.00 0.00 ATOM 621 NH2 ARG A 80 9.222 30.333 23.942 1.00 0.00 ATOM 622 O ARG A 80 11.762 27.383 15.903 1.00 0.00 ATOM 623 C ARG A 80 10.744 28.078 15.916 1.00 0.00 ATOM 624 N LEU A 81 10.258 28.655 14.827 1.00 0.00 ATOM 625 CA LEU A 81 10.912 28.500 13.537 1.00 0.00 ATOM 626 CB LEU A 81 9.967 27.885 12.504 1.00 0.00 ATOM 627 CG LEU A 81 9.432 26.487 12.824 1.00 0.00 ATOM 628 CD1 LEU A 81 8.407 26.052 11.787 1.00 0.00 ATOM 629 CD2 LEU A 81 10.560 25.468 12.836 1.00 0.00 ATOM 630 O LEU A 81 10.552 30.764 12.860 1.00 0.00 ATOM 631 C LEU A 81 11.367 29.854 13.018 1.00 0.00 ATOM 632 N LEU A 82 12.665 30.009 12.809 1.00 0.00 ATOM 633 CA LEU A 82 13.180 31.258 12.239 1.00 0.00 ATOM 634 CB LEU A 82 14.556 31.586 12.820 1.00 0.00 ATOM 635 CG LEU A 82 15.229 32.854 12.292 1.00 0.00 ATOM 636 CD1 LEU A 82 14.428 34.089 12.677 1.00 0.00 ATOM 637 CD2 LEU A 82 16.630 32.999 12.867 1.00 0.00 ATOM 638 O LEU A 82 13.923 30.024 10.327 1.00 0.00 ATOM 639 C LEU A 82 13.244 30.963 10.747 1.00 0.00 ATOM 640 N VAL A 83 12.524 31.748 9.946 1.00 0.00 ATOM 641 CA VAL A 83 12.455 31.512 8.515 1.00 0.00 ATOM 642 CB VAL A 83 11.053 31.038 8.089 1.00 0.00 ATOM 643 CG1 VAL A 83 10.711 29.714 8.756 1.00 0.00 ATOM 644 CG2 VAL A 83 10.001 32.063 8.487 1.00 0.00 ATOM 645 O VAL A 83 12.584 33.923 8.114 1.00 0.00 ATOM 646 C VAL A 83 12.697 32.756 7.692 1.00 0.00 ATOM 647 N VAL A 84 13.096 32.486 6.451 1.00 0.00 ATOM 648 CA VAL A 84 13.262 33.590 5.472 1.00 0.00 ATOM 649 CB VAL A 84 14.671 33.548 4.853 1.00 0.00 ATOM 650 CG1 VAL A 84 14.843 34.674 3.844 1.00 0.00 ATOM 651 CG2 VAL A 84 15.733 33.703 5.931 1.00 0.00 ATOM 652 O VAL A 84 12.102 32.265 3.831 1.00 0.00 ATOM 653 C VAL A 84 12.180 33.345 4.431 1.00 0.00 ATOM 654 N GLY A 85 11.326 34.357 4.253 1.00 0.00 ATOM 655 CA GLY A 85 10.230 34.234 3.320 1.00 0.00 ATOM 656 O GLY A 85 10.169 36.643 3.330 1.00 0.00 ATOM 657 C GLY A 85 9.661 35.585 2.929 1.00 0.00 ATOM 658 N PRO A 86 8.581 35.551 2.193 1.00 0.00 ATOM 659 CA PRO A 86 7.772 34.391 1.783 1.00 0.00 ATOM 660 CB PRO A 86 6.393 34.966 1.462 1.00 0.00 ATOM 661 CG PRO A 86 6.723 36.257 0.766 1.00 0.00 ATOM 662 CD PRO A 86 7.973 36.817 1.649 1.00 0.00 ATOM 663 O PRO A 86 7.902 32.382 0.527 1.00 0.00 ATOM 664 C PRO A 86 8.389 33.500 0.717 1.00 0.00 ATOM 665 N SER A 87 9.432 33.974 0.040 1.00 0.00 ATOM 666 CA SER A 87 10.182 33.150 -0.889 1.00 0.00 ATOM 667 CB SER A 87 9.721 33.377 -2.313 1.00 0.00 ATOM 668 OG SER A 87 10.054 34.690 -2.756 1.00 0.00 ATOM 669 O SER A 87 12.016 34.465 -0.063 1.00 0.00 ATOM 670 C SER A 87 11.657 33.418 -0.612 1.00 0.00 ATOM 671 N THR A 88 12.516 32.510 -0.921 1.00 0.00 ATOM 672 CA THR A 88 13.949 32.683 -0.735 1.00 0.00 ATOM 673 CB THR A 88 14.694 31.399 -1.142 1.00 0.00 ATOM 674 CG2 THR A 88 16.193 31.565 -0.941 1.00 0.00 ATOM 675 OG1 THR A 88 14.237 30.303 -0.339 1.00 0.00 ATOM 676 O THR A 88 15.251 34.626 -0.991 1.00 0.00 ATOM 677 C THR A 88 14.497 33.824 -1.535 1.00 0.00 ATOM 678 N ARG A 89 14.169 33.880 -2.817 1.00 0.00 ATOM 679 CA ARG A 89 14.622 34.959 -3.666 1.00 0.00 ATOM 680 CB ARG A 89 14.137 34.894 -5.104 1.00 0.00 ATOM 681 CG ARG A 89 12.651 35.204 -5.263 1.00 0.00 ATOM 682 CD ARG A 89 12.048 34.643 -6.555 1.00 0.00 ATOM 683 NE ARG A 89 10.641 34.993 -6.631 1.00 0.00 ATOM 684 CZ ARG A 89 9.673 34.373 -5.960 1.00 0.00 ATOM 685 NH1 ARG A 89 9.931 33.334 -5.151 1.00 0.00 ATOM 686 NH2 ARG A 89 8.414 34.788 -6.093 1.00 0.00 ATOM 687 O ARG A 89 14.872 37.194 -2.874 1.00 0.00 ATOM 688 C ARG A 89 14.111 36.265 -3.082 1.00 0.00 ATOM 689 N LEU A 90 12.814 36.332 -2.804 1.00 0.00 ATOM 690 CA LEU A 90 12.211 37.561 -2.290 1.00 0.00 ATOM 691 CB LEU A 90 10.716 37.540 -2.528 1.00 0.00 ATOM 692 CG LEU A 90 10.228 37.512 -3.963 1.00 0.00 ATOM 693 CD1 LEU A 90 8.709 37.395 -3.864 1.00 0.00 ATOM 694 CD2 LEU A 90 10.656 38.781 -4.755 1.00 0.00 ATOM 695 O LEU A 90 12.616 36.774 -0.097 1.00 0.00 ATOM 696 C LEU A 90 12.633 37.825 -0.822 1.00 0.00 ENDMDL EXPDTA 2he4A MODEL 2 REMARK 44 REMARK 44 model 2 is called 2he4A ATOM 1 N SER A 1 11.925 45.145 10.759 1.00 0.00 ATOM 2 CA SER A 1 12.258 45.950 9.545 1.00 0.00 ATOM 3 CB SER A 1 13.563 46.739 9.728 1.00 0.00 ATOM 4 OG SER A 1 14.693 45.901 9.904 1.00 0.00 ATOM 5 O SER A 1 12.169 43.829 8.426 1.00 0.00 ATOM 6 C SER A 1 12.332 45.044 8.322 1.00 0.00 ATOM 7 N MET A 2 12.565 45.642 7.163 1.00 0.00 ATOM 8 CA MET A 2 12.553 44.904 5.907 1.00 0.00 ATOM 9 CB MET A 2 12.762 45.858 4.720 1.00 0.00 ATOM 10 O MET A 2 14.726 43.976 6.341 1.00 0.00 ATOM 11 C MET A 2 13.598 43.809 5.856 1.00 0.00 ATOM 12 N LEU A 3 13.190 42.705 5.237 1.00 0.00 ATOM 13 CA LEU A 3 14.033 41.603 4.816 1.00 0.00 ATOM 14 CB LEU A 3 15.026 42.038 3.712 1.00 0.00 ATOM 15 CG LEU A 3 14.462 42.354 2.323 1.00 0.00 ATOM 16 CD1 LEU A 3 15.611 42.473 1.303 1.00 0.00 ATOM 17 CD2 LEU A 3 13.512 41.253 1.883 1.00 0.00 ATOM 18 O LEU A 3 15.809 40.434 5.840 1.00 0.00 ATOM 19 C LEU A 3 14.737 40.963 5.992 1.00 0.00 ATOM 20 N ARG A 4 14.086 41.010 7.151 1.00 0.00 ATOM 21 CA ARG A 4 14.548 40.280 8.362 1.00 0.00 ATOM 22 CB ARG A 4 14.199 41.037 9.662 1.00 0.00 ATOM 23 CG ARG A 4 14.773 42.409 9.789 1.00 0.00 ATOM 24 CD ARG A 4 16.271 42.378 9.800 1.00 0.00 ATOM 25 NE ARG A 4 16.841 41.624 10.936 1.00 0.00 ATOM 26 CZ ARG A 4 18.092 41.176 10.996 1.00 0.00 ATOM 27 NH1 ARG A 4 18.952 41.378 10.001 1.00 0.00 ATOM 28 NH2 ARG A 4 18.478 40.512 12.051 1.00 0.00 ATOM 29 O ARG A 4 12.693 38.747 8.098 1.00 0.00 ATOM 30 C ARG A 4 13.887 38.892 8.395 1.00 0.00 ATOM 31 N PRO A 5 14.632 37.861 8.767 1.00 0.00 ATOM 32 CA PRO A 5 13.961 36.591 9.047 1.00 0.00 ATOM 33 CB PRO A 5 15.086 35.717 9.560 1.00 0.00 ATOM 34 CG PRO A 5 16.338 36.314 9.063 1.00 0.00 ATOM 35 CD PRO A 5 16.076 37.774 8.991 1.00 0.00 ATOM 36 O PRO A 5 12.959 37.560 11.009 1.00 0.00 ATOM 37 C PRO A 5 12.865 36.737 10.111 1.00 0.00 ATOM 38 N ARG A 6 11.828 35.908 10.011 1.00 0.00 ATOM 39 CA ARG A 6 10.668 35.983 10.867 1.00 0.00 ATOM 40 CB ARG A 6 9.406 35.972 10.036 1.00 0.00 ATOM 41 CG ARG A 6 8.169 36.133 10.877 1.00 0.00 ATOM 42 CD ARG A 6 7.037 36.652 10.073 1.00 0.00 ATOM 43 NE ARG A 6 5.809 36.577 10.835 1.00 0.00 ATOM 44 CZ ARG A 6 4.607 36.866 10.326 1.00 0.00 ATOM 45 NH1 ARG A 6 4.468 37.263 9.060 1.00 0.00 ATOM 46 NH2 ARG A 6 3.534 36.756 11.083 1.00 0.00 ATOM 47 O ARG A 6 10.761 33.634 11.293 1.00 0.00 ATOM 48 C ARG A 6 10.609 34.760 11.762 1.00 0.00 ATOM 49 N LEU A 7 10.336 35.012 13.038 1.00 0.00 ATOM 50 CA LEU A 7 10.211 33.952 14.032 1.00 0.00 ATOM 51 CB LEU A 7 10.648 34.449 15.395 1.00 0.00 ATOM 52 CG LEU A 7 10.784 33.417 16.506 1.00 0.00 ATOM 53 CD1 LEU A 7 11.678 32.244 16.115 1.00 0.00 ATOM 54 CD2 LEU A 7 11.256 34.046 17.745 1.00 0.00 ATOM 55 O LEU A 7 7.869 34.354 14.321 1.00 0.00 ATOM 56 C LEU A 7 8.733 33.535 14.039 1.00 0.00 ATOM 57 N CYS A 8 8.493 32.255 13.815 1.00 0.00 ATOM 58 CA CYS A 8 7.156 31.709 13.789 1.00 0.00 ATOM 59 CB CYS A 8 6.952 30.930 12.493 1.00 0.00 ATOM 60 SG CYS A 8 7.018 31.989 11.023 1.00 0.00 ATOM 61 O CYS A 8 7.808 29.765 15.113 1.00 0.00 ATOM 62 C CYS A 8 7.065 30.768 15.010 1.00 0.00 ATOM 63 N HIS A 9 6.147 31.083 15.924 1.00 0.00 ATOM 64 CA HIS A 9 5.986 30.308 17.136 1.00 0.00 ATOM 65 CB HIS A 9 5.785 31.228 18.333 1.00 0.00 ATOM 66 CG HIS A 9 5.602 30.501 19.625 1.00 0.00 ATOM 67 CD2 HIS A 9 5.993 29.272 20.022 1.00 0.00 ATOM 68 ND1 HIS A 9 4.934 31.054 20.695 1.00 0.00 ATOM 69 CE1 HIS A 9 4.913 30.186 21.696 1.00 0.00 ATOM 70 NE2 HIS A 9 5.559 29.099 21.317 1.00 0.00 ATOM 71 O HIS A 9 3.615 29.930 16.904 1.00 0.00 ATOM 72 C HIS A 9 4.760 29.432 16.924 1.00 0.00 ATOM 73 N LEU A 10 4.980 28.128 16.734 1.00 0.00 ATOM 74 CA LEU A 10 3.874 27.195 16.506 1.00 0.00 ATOM 75 CB LEU A 10 4.283 26.163 15.481 1.00 0.00 ATOM 76 CG LEU A 10 4.556 26.596 14.024 1.00 0.00 ATOM 77 CD1 LEU A 10 5.867 27.319 13.785 1.00 0.00 ATOM 78 CD2 LEU A 10 4.492 25.381 13.126 1.00 0.00 ATOM 79 O LEU A 10 4.393 25.978 18.519 1.00 0.00 ATOM 80 C LEU A 10 3.513 26.480 17.814 1.00 0.00 ATOM 81 N ARG A 11 2.228 26.463 18.107 1.00 0.00 ATOM 82 CA ARG A 11 1.683 25.748 19.216 1.00 0.00 ATOM 83 CB ARG A 11 0.664 26.609 19.970 1.00 0.00 ATOM 84 CG ARG A 11 1.261 27.942 20.431 1.00 0.00 ATOM 85 CD ARG A 11 0.350 28.666 21.374 1.00 0.00 ATOM 86 NE ARG A 11 1.009 29.776 22.056 1.00 0.00 ATOM 87 CZ ARG A 11 1.194 30.993 21.548 1.00 0.00 ATOM 88 NH1 ARG A 11 0.803 31.295 20.311 1.00 0.00 ATOM 89 NH2 ARG A 11 1.794 31.912 22.290 1.00 0.00 ATOM 90 O ARG A 11 0.125 24.480 17.907 1.00 0.00 ATOM 91 C ARG A 11 1.066 24.451 18.693 1.00 0.00 ATOM 92 N LYS A 12 1.596 23.310 19.105 1.00 0.00 ATOM 93 CA LYS A 12 1.213 22.040 18.531 1.00 0.00 ATOM 94 CB LYS A 12 2.090 20.913 19.065 1.00 0.00 ATOM 95 CG LYS A 12 2.063 19.688 18.141 1.00 0.00 ATOM 96 CD LYS A 12 2.763 18.515 18.643 1.00 0.00 ATOM 97 CE LYS A 12 4.208 18.755 18.606 1.00 0.00 ATOM 98 NZ LYS A 12 4.877 17.634 19.270 1.00 0.00 ATOM 99 O LYS A 12 -0.787 21.980 19.886 1.00 0.00 ATOM 100 C LYS A 12 -0.257 21.733 18.798 1.00 0.00 ATOM 101 N GLY A 13 -0.890 21.169 17.795 1.00 0.00 ATOM 102 CA GLY A 13 -2.251 20.705 17.868 1.00 0.00 ATOM 103 O GLY A 13 -1.348 18.491 17.969 1.00 0.00 ATOM 104 C GLY A 13 -2.345 19.201 17.914 1.00 0.00 ATOM 105 N PRO A 14 -3.574 18.687 17.952 1.00 0.00 ATOM 106 CA PRO A 14 -3.752 17.244 18.064 1.00 0.00 ATOM 107 CB PRO A 14 -5.275 17.091 18.285 1.00 0.00 ATOM 108 CG PRO A 14 -5.871 18.309 17.895 1.00 0.00 ATOM 109 CD PRO A 14 -4.845 19.414 17.950 1.00 0.00 ATOM 110 O PRO A 14 -3.065 15.217 16.946 1.00 0.00 ATOM 111 C PRO A 14 -3.285 16.435 16.840 1.00 0.00 ATOM 112 N GLN A 15 -3.176 17.077 15.678 1.00 0.00 ATOM 113 CA GLN A 15 -2.610 16.415 14.478 1.00 0.00 ATOM 114 CB GLN A 15 -3.544 16.623 13.296 1.00 0.00 ATOM 115 CG GLN A 15 -4.774 15.771 13.321 1.00 0.00 ATOM 116 CD GLN A 15 -5.775 16.238 14.372 1.00 0.00 ATOM 117 OE1 GLN A 15 -6.211 17.404 14.372 1.00 0.00 ATOM 118 NE2 GLN A 15 -6.127 15.335 15.277 1.00 0.00 ATOM 119 O GLN A 15 -0.813 16.930 12.977 1.00 0.00 ATOM 120 C GLN A 15 -1.262 16.992 14.113 1.00 0.00 ATOM 121 N GLY A 16 -0.588 17.557 15.082 1.00 0.00 ATOM 122 CA GLY A 16 0.710 18.150 14.837 1.00 0.00 ATOM 123 O GLY A 16 -0.178 20.361 15.038 1.00 0.00 ATOM 124 C GLY A 16 0.633 19.622 14.501 1.00 0.00 ATOM 125 N TYR A 17 1.496 20.047 13.594 1.00 0.00 ATOM 126 CA TYR A 17 1.615 21.446 13.231 1.00 0.00 ATOM 127 CB TYR A 17 3.085 21.807 13.115 1.00 0.00 ATOM 128 CG TYR A 17 3.812 21.776 14.434 1.00 0.00 ATOM 129 CD1 TYR A 17 3.457 22.638 15.454 1.00 0.00 ATOM 130 CD2 TYR A 17 4.832 20.878 14.679 1.00 0.00 ATOM 131 CE1 TYR A 17 4.112 22.637 16.651 1.00 0.00 ATOM 132 CE2 TYR A 17 5.474 20.857 15.903 1.00 0.00 ATOM 133 CZ TYR A 17 5.108 21.733 16.878 1.00 0.00 ATOM 134 OH TYR A 17 5.693 21.758 18.132 1.00 0.00 ATOM 135 O TYR A 17 0.507 22.956 11.783 1.00 0.00 ATOM 136 C TYR A 17 0.903 21.818 11.935 1.00 0.00 ATOM 137 N GLY A 18 0.750 20.865 11.024 1.00 0.00 ATOM 138 CA GLY A 18 0.051 21.110 9.757 1.00 0.00 ATOM 139 O GLY A 18 0.400 22.664 7.975 1.00 0.00 ATOM 140 C GLY A 18 0.888 21.786 8.682 1.00 0.00 ATOM 141 N PHE A 19 2.123 21.340 8.526 1.00 0.00 ATOM 142 CA PHE A 19 2.931 21.749 7.381 1.00 0.00 ATOM 143 CB PHE A 19 3.783 23.001 7.678 1.00 0.00 ATOM 144 CG PHE A 19 4.941 22.792 8.621 1.00 0.00 ATOM 145 CD1 PHE A 19 6.211 22.583 8.147 1.00 0.00 ATOM 146 CD2 PHE A 19 4.741 22.811 9.990 1.00 0.00 ATOM 147 CE1 PHE A 19 7.268 22.433 9.011 1.00 0.00 ATOM 148 CE2 PHE A 19 5.803 22.654 10.854 1.00 0.00 ATOM 149 CZ PHE A 19 7.055 22.471 10.357 1.00 0.00 ATOM 150 O PHE A 19 3.966 19.644 7.620 1.00 0.00 ATOM 151 C PHE A 19 3.765 20.616 6.888 1.00 0.00 ATOM 152 N ASN A 20 4.266 20.767 5.648 1.00 0.00 ATOM 153 CA ASN A 20 5.144 19.758 5.015 1.00 0.00 ATOM 154 CB ASN A 20 4.524 19.356 3.677 1.00 0.00 ATOM 155 CG ASN A 20 5.082 18.083 3.088 1.00 0.00 ATOM 156 ND2 ASN A 20 4.856 17.914 1.784 1.00 0.00 ATOM 157 OD1 ASN A 20 5.684 17.242 3.774 1.00 0.00 ATOM 158 O ASN A 20 6.621 21.458 4.280 1.00 0.00 ATOM 159 C ASN A 20 6.519 20.383 4.843 1.00 0.00 ATOM 160 N LEU A 21 7.530 19.713 5.406 1.00 0.00 ATOM 161 CA LEU A 21 8.909 20.132 5.319 1.00 0.00 ATOM 162 CB LEU A 21 9.637 19.835 6.615 1.00 0.00 ATOM 163 CG LEU A 21 11.058 20.402 6.692 1.00 0.00 ATOM 164 CD1 LEU A 21 11.052 21.936 6.862 1.00 0.00 ATOM 165 CD2 LEU A 21 11.885 19.716 7.767 1.00 0.00 ATOM 166 O LEU A 21 9.497 18.143 4.182 1.00 0.00 ATOM 167 C LEU A 21 9.581 19.363 4.189 1.00 0.00 ATOM 168 N HIS A 22 10.289 20.072 3.301 1.00 0.00 ATOM 169 CA HIS A 22 10.830 19.470 2.087 1.00 0.00 ATOM 170 CB HIS A 22 9.966 19.919 0.878 1.00 0.00 ATOM 171 CG HIS A 22 9.780 18.848 -0.162 1.00 0.00 ATOM 172 CD2 HIS A 22 8.667 18.193 -0.583 1.00 0.00 ATOM 173 ND1 HIS A 22 10.826 18.335 -0.905 1.00 0.00 ATOM 174 CE1 HIS A 22 10.366 17.409 -1.734 1.00 0.00 ATOM 175 NE2 HIS A 22 9.060 17.307 -1.565 1.00 0.00 ATOM 176 O HIS A 22 12.652 21.010 1.983 1.00 0.00 ATOM 177 C HIS A 22 12.295 19.847 1.849 1.00 0.00 ATOM 178 N SER A 23 13.109 18.863 1.455 1.00 0.00 ATOM 179 CA SER A 23 14.432 19.140 0.840 1.00 0.00 ATOM 180 CB SER A 23 15.344 17.934 0.873 1.00 0.00 ATOM 181 OG SER A 23 15.681 17.592 2.216 1.00 0.00 ATOM 182 O SER A 23 13.210 19.195 -1.273 1.00 0.00 ATOM 183 C SER A 23 14.247 19.545 -0.634 1.00 0.00 ATOM 184 N ASP A 24 15.183 20.311 -1.176 1.00 0.00 ATOM 185 CA ASP A 24 15.169 20.692 -2.578 1.00 0.00 ATOM 186 CB ASP A 24 15.299 22.211 -2.716 1.00 0.00 ATOM 187 CG ASP A 24 15.193 22.664 -4.143 1.00 0.00 ATOM 188 OD1 ASP A 24 16.210 23.063 -4.707 1.00 0.00 ATOM 189 OD2 ASP A 24 14.096 22.583 -4.724 1.00 0.00 ATOM 190 O ASP A 24 17.274 19.606 -2.878 1.00 0.00 ATOM 191 C ASP A 24 16.237 19.930 -3.398 1.00 0.00 ATOM 192 N LYS A 25 15.959 19.641 -4.671 1.00 0.00 ATOM 193 CA LYS A 25 16.901 18.868 -5.503 1.00 0.00 ATOM 194 CB LYS A 25 16.148 18.118 -6.624 1.00 0.00 ATOM 195 CG LYS A 25 15.436 16.818 -6.223 1.00 0.00 ATOM 196 CD LYS A 25 16.343 15.727 -5.716 1.00 0.00 ATOM 197 CE LYS A 25 17.478 15.432 -6.684 1.00 0.00 ATOM 198 NZ LYS A 25 18.461 14.458 -6.139 1.00 0.00 ATOM 199 O LYS A 25 18.868 19.212 -6.819 1.00 0.00 ATOM 200 C LYS A 25 17.977 19.742 -6.136 1.00 0.00 ATOM 201 N SER A 26 17.925 21.059 -5.901 1.00 0.00 ATOM 202 CA SER A 26 18.799 22.036 -6.584 1.00 0.00 ATOM 203 CB SER A 26 17.986 22.820 -7.595 1.00 0.00 ATOM 204 OG SER A 26 16.840 23.408 -6.985 1.00 0.00 ATOM 205 O SER A 26 20.492 23.629 -6.051 1.00 0.00 ATOM 206 C SER A 26 19.486 23.041 -5.667 1.00 0.00 ATOM 207 N ARG A 27 18.923 23.262 -4.488 1.00 0.00 ATOM 208 CA ARG A 27 19.409 24.213 -3.505 1.00 0.00 ATOM 209 CB ARG A 27 18.371 25.323 -3.336 1.00 0.00 ATOM 210 CG ARG A 27 18.036 26.047 -4.635 1.00 0.00 ATOM 211 O ARG A 27 18.739 22.590 -1.898 1.00 0.00 ATOM 212 C ARG A 27 19.552 23.462 -2.185 1.00 0.00 ATOM 213 N PRO A 28 20.591 23.771 -1.397 1.00 0.00 ATOM 214 CA PRO A 28 20.615 23.221 -0.052 1.00 0.00 ATOM 215 CB PRO A 28 22.020 23.578 0.473 1.00 0.00 ATOM 216 CG PRO A 28 22.508 24.683 -0.406 1.00 0.00 ATOM 217 CD PRO A 28 21.759 24.621 -1.702 1.00 0.00 ATOM 218 O PRO A 28 19.104 25.010 0.475 1.00 0.00 ATOM 219 C PRO A 28 19.538 23.894 0.793 1.00 0.00 ATOM 220 N GLY A 29 19.085 23.178 1.814 1.00 0.00 ATOM 221 CA GLY A 29 18.186 23.714 2.816 1.00 0.00 ATOM 222 O GLY A 29 16.571 22.051 2.108 1.00 0.00 ATOM 223 C GLY A 29 16.898 22.912 2.941 1.00 0.00 ATOM 224 N GLN A 30 16.143 23.241 3.986 1.00 0.00 ATOM 225 CA GLN A 30 14.837 22.685 4.203 1.00 0.00 ATOM 226 CB GLN A 30 14.737 22.095 5.607 1.00 0.00 ATOM 227 CG GLN A 30 15.764 20.981 5.848 1.00 0.00 ATOM 228 CD GLN A 30 15.618 19.830 4.913 1.00 0.00 ATOM 229 OE1 GLN A 30 14.486 19.377 4.634 1.00 0.00 ATOM 230 NE2 GLN A 30 16.761 19.336 4.396 1.00 0.00 ATOM 231 O GLN A 30 14.019 24.934 4.489 1.00 0.00 ATOM 232 C GLN A 30 13.832 23.814 3.997 1.00 0.00 ATOM 233 N TYR A 31 12.726 23.488 3.356 1.00 0.00 ATOM 234 CA TYR A 31 11.723 24.464 2.962 1.00 0.00 ATOM 235 CB TYR A 31 11.745 24.652 1.423 1.00 0.00 ATOM 236 CG TYR A 31 13.106 25.159 0.928 1.00 0.00 ATOM 237 CD1 TYR A 31 13.317 26.499 0.683 1.00 0.00 ATOM 238 CD2 TYR A 31 14.190 24.295 0.776 1.00 0.00 ATOM 239 CE1 TYR A 31 14.562 26.965 0.271 1.00 0.00 ATOM 240 CE2 TYR A 31 15.434 24.747 0.344 1.00 0.00 ATOM 241 CZ TYR A 31 15.600 26.082 0.105 1.00 0.00 ATOM 242 OH TYR A 31 16.831 26.546 -0.300 1.00 0.00 ATOM 243 O TYR A 31 10.066 22.828 3.479 1.00 0.00 ATOM 244 C TYR A 31 10.334 24.015 3.346 1.00 0.00 ATOM 245 N ILE A 32 9.462 24.994 3.527 1.00 0.00 ATOM 246 CA ILE A 32 8.054 24.734 3.760 1.00 0.00 ATOM 247 CB ILE A 32 7.370 25.883 4.535 1.00 0.00 ATOM 248 CG1 ILE A 32 8.150 26.282 5.776 1.00 0.00 ATOM 249 CG2 ILE A 32 5.922 25.548 4.928 1.00 0.00 ATOM 250 CD1 ILE A 32 8.509 25.128 6.738 1.00 0.00 ATOM 251 O ILE A 32 7.223 25.436 1.608 1.00 0.00 ATOM 252 C ILE A 32 7.362 24.510 2.407 1.00 0.00 ATOM 253 N ARG A 33 6.998 23.274 2.110 1.00 0.00 ATOM 254 CA ARG A 33 6.302 23.029 0.814 1.00 0.00 ATOM 255 CB ARG A 33 6.370 21.569 0.378 1.00 0.00 ATOM 256 CG ARG A 33 5.771 21.421 -1.038 1.00 0.00 ATOM 257 CD ARG A 33 6.069 20.124 -1.700 1.00 0.00 ATOM 258 NE ARG A 33 5.339 20.086 -2.966 1.00 0.00 ATOM 259 CZ ARG A 33 4.791 19.001 -3.499 1.00 0.00 ATOM 260 NH1 ARG A 33 4.137 19.109 -4.648 1.00 0.00 ATOM 261 NH2 ARG A 33 4.887 17.810 -2.902 1.00 0.00 ATOM 262 O ARG A 33 4.335 23.956 -0.202 1.00 0.00 ATOM 263 C ARG A 33 4.849 23.472 0.828 1.00 0.00 ATOM 264 N SER A 34 4.159 23.242 1.955 1.00 0.00 ATOM 265 CA SER A 34 2.781 23.628 2.096 1.00 0.00 ATOM 266 CB SER A 34 1.849 22.570 1.490 1.00 0.00 ATOM 267 OG SER A 34 1.931 21.322 2.184 1.00 0.00 ATOM 268 O SER A 34 3.115 23.285 4.407 1.00 0.00 ATOM 269 C SER A 34 2.427 23.814 3.555 1.00 0.00 ATOM 270 N VAL A 35 1.330 24.532 3.783 1.00 0.00 ATOM 271 CA VAL A 35 0.817 24.882 5.084 1.00 0.00 ATOM 272 CB VAL A 35 1.074 26.387 5.426 1.00 0.00 ATOM 273 CG1 VAL A 35 0.417 26.784 6.745 1.00 0.00 ATOM 274 CG2 VAL A 35 2.596 26.602 5.541 1.00 0.00 ATOM 275 O VAL A 35 -1.348 25.145 4.199 1.00 0.00 ATOM 276 C VAL A 35 -0.640 24.592 5.034 1.00 0.00 ATOM 277 N ASP A 36 -1.122 23.717 5.893 1.00 0.00 ATOM 278 CA ASP A 36 -2.547 23.380 5.883 1.00 0.00 ATOM 279 CB ASP A 36 -2.862 22.198 6.816 1.00 0.00 ATOM 280 CG ASP A 36 -2.155 20.905 6.426 1.00 0.00 ATOM 281 OD1 ASP A 36 -1.626 20.815 5.311 1.00 0.00 ATOM 282 OD2 ASP A 36 -2.120 19.967 7.259 1.00 0.00 ATOM 283 O ASP A 36 -3.023 25.284 7.311 1.00 0.00 ATOM 284 C ASP A 36 -3.361 24.599 6.324 1.00 0.00 ATOM 285 N PRO A 37 -4.506 24.854 5.634 1.00 0.00 ATOM 286 CA PRO A 37 -5.314 25.937 6.078 1.00 0.00 ATOM 287 CB PRO A 37 -6.542 25.830 5.157 1.00 0.00 ATOM 288 CG PRO A 37 -5.991 25.203 3.938 1.00 0.00 ATOM 289 CD PRO A 37 -4.997 24.220 4.396 1.00 0.00 ATOM 290 O PRO A 37 -6.131 24.633 7.908 1.00 0.00 ATOM 291 C PRO A 37 -5.786 25.763 7.502 1.00 0.00 ATOM 292 N GLY A 38 -5.773 26.853 8.256 1.00 0.00 ATOM 293 CA GLY A 38 -6.304 26.860 9.596 1.00 0.00 ATOM 294 O GLY A 38 -6.036 25.658 11.620 1.00 0.00 ATOM 295 C GLY A 38 -5.514 26.036 10.599 1.00 0.00 ATOM 296 N SER A 39 -4.263 25.738 10.283 1.00 0.00 ATOM 297 CA SER A 39 -3.377 24.927 11.143 1.00 0.00 ATOM 298 CB SER A 39 -2.391 24.227 10.240 1.00 0.00 ATOM 299 OG SER A 39 -1.645 25.180 9.514 1.00 0.00 ATOM 300 O SER A 39 -2.542 26.990 11.990 1.00 0.00 ATOM 301 C SER A 39 -2.611 25.793 12.137 1.00 0.00 ATOM 302 N PRO A 40 -1.975 25.166 13.135 1.00 0.00 ATOM 303 CA PRO A 40 -1.033 25.872 13.967 1.00 0.00 ATOM 304 CB PRO A 40 -0.468 24.749 14.855 1.00 0.00 ATOM 305 CG PRO A 40 -1.597 23.808 15.020 1.00 0.00 ATOM 306 CD PRO A 40 -2.187 23.783 13.614 1.00 0.00 ATOM 307 O PRO A 40 0.454 27.687 13.409 1.00 0.00 ATOM 308 C PRO A 40 0.061 26.542 13.130 1.00 0.00 ATOM 309 N ALA A 41 0.520 25.850 12.092 1.00 0.00 ATOM 310 CA ALA A 41 1.531 26.460 11.193 1.00 0.00 ATOM 311 CB ALA A 41 1.943 25.495 10.126 1.00 0.00 ATOM 312 O ALA A 41 1.740 28.769 10.535 1.00 0.00 ATOM 313 C ALA A 41 1.038 27.774 10.581 1.00 0.00 ATOM 314 N ALA A 42 -0.168 27.744 10.034 1.00 0.00 ATOM 315 CA ALA A 42 -0.716 28.950 9.421 1.00 0.00 ATOM 316 CB ALA A 42 -2.116 28.689 8.805 1.00 0.00 ATOM 317 O ALA A 42 -0.437 31.244 10.071 1.00 0.00 ATOM 318 C ALA A 42 -0.786 30.096 10.418 1.00 0.00 ATOM 319 N ARG A 43 -1.261 29.814 11.636 1.00 0.00 ATOM 320 CA ARG A 43 -1.438 30.863 12.632 1.00 0.00 ATOM 321 CB ARG A 43 -2.203 30.336 13.838 1.00 0.00 ATOM 322 CG ARG A 43 -3.658 30.201 13.573 1.00 0.00 ATOM 323 CD ARG A 43 -4.434 29.962 14.864 1.00 0.00 ATOM 324 NE ARG A 43 -4.098 28.676 15.436 1.00 0.00 ATOM 325 CZ ARG A 43 -4.542 27.525 14.970 1.00 0.00 ATOM 326 NH1 ARG A 43 -5.408 27.499 13.938 1.00 0.00 ATOM 327 NH2 ARG A 43 -4.196 26.410 15.542 1.00 0.00 ATOM 328 O ARG A 43 -0.050 32.623 13.552 1.00 0.00 ATOM 329 C ARG A 43 -0.100 31.490 13.074 1.00 0.00 ATOM 330 N SER A 44 0.973 30.719 12.953 1.00 0.00 ATOM 331 CA SER A 44 2.284 31.180 13.364 1.00 0.00 ATOM 332 CB SER A 44 3.225 29.994 13.536 1.00 0.00 ATOM 333 OG SER A 44 3.663 29.480 12.300 1.00 0.00 ATOM 334 O SER A 44 3.922 32.796 12.776 1.00 0.00 ATOM 335 C SER A 44 2.924 32.154 12.409 1.00 0.00 ATOM 336 N GLY A 45 2.394 32.247 11.189 1.00 0.00 ATOM 337 CA GLY A 45 3.010 33.081 10.150 1.00 0.00 ATOM 338 O GLY A 45 4.360 32.973 8.167 1.00 0.00 ATOM 339 C GLY A 45 3.839 32.351 9.096 1.00 0.00 ATOM 340 N LEU A 46 3.918 31.028 9.189 1.00 0.00 ATOM 341 CA LEU A 46 4.624 30.232 8.190 1.00 0.00 ATOM 342 CB LEU A 46 4.713 28.761 8.554 1.00 0.00 ATOM 343 CG LEU A 46 5.744 28.261 9.522 1.00 0.00 ATOM 344 CD1 LEU A 46 5.517 26.773 9.722 1.00 0.00 ATOM 345 CD2 LEU A 46 7.152 28.554 9.043 1.00 0.00 ATOM 346 O LEU A 46 2.652 30.262 6.837 1.00 0.00 ATOM 347 C LEU A 46 3.884 30.252 6.858 1.00 0.00 ATOM 348 N ARG A 47 4.646 30.208 5.767 1.00 0.00 ATOM 349 CA ARG A 47 4.135 30.224 4.405 1.00 0.00 ATOM 350 CB ARG A 47 4.257 31.617 3.802 1.00 0.00 ATOM 351 CG ARG A 47 3.508 32.694 4.564 1.00 0.00 ATOM 352 CD ARG A 47 1.986 32.479 4.497 1.00 0.00 ATOM 353 O ARG A 47 6.058 29.022 3.716 1.00 0.00 ATOM 354 C ARG A 47 4.881 29.247 3.527 1.00 0.00 ATOM 355 N ALA A 48 4.191 28.693 2.540 1.00 0.00 ATOM 356 CA ALA A 48 4.793 27.855 1.530 1.00 0.00 ATOM 357 CB ALA A 48 3.738 27.451 0.448 1.00 0.00 ATOM 358 O ALA A 48 5.868 29.830 0.688 1.00 0.00 ATOM 359 C ALA A 48 5.976 28.616 0.913 1.00 0.00 ATOM 360 N GLN A 49 7.065 27.882 0.669 1.00 0.00 ATOM 361 CA GLN A 49 8.297 28.375 0.072 1.00 0.00 ATOM 362 CB GLN A 49 8.024 29.262 -1.115 1.00 0.00 ATOM 363 CG GLN A 49 7.398 28.528 -2.231 1.00 0.00 ATOM 364 CD GLN A 49 7.911 29.093 -3.501 1.00 0.00 ATOM 365 OE1 GLN A 49 8.866 28.580 -4.084 1.00 0.00 ATOM 366 NE2 GLN A 49 7.380 30.236 -3.867 1.00 0.00 ATOM 367 O GLN A 49 10.349 29.434 0.653 1.00 0.00 ATOM 368 C GLN A 49 9.226 29.092 1.037 1.00 0.00 ATOM 369 N ASP A 50 8.826 29.227 2.306 1.00 0.00 ATOM 370 CA ASP A 50 9.758 29.673 3.341 1.00 0.00 ATOM 371 CB ASP A 50 9.031 29.791 4.686 1.00 0.00 ATOM 372 CG ASP A 50 8.198 31.032 4.822 1.00 0.00 ATOM 373 OD1 ASP A 50 8.311 31.951 3.990 1.00 0.00 ATOM 374 OD2 ASP A 50 7.454 31.099 5.828 1.00 0.00 ATOM 375 O ASP A 50 10.763 27.477 3.364 1.00 0.00 ATOM 376 C ASP A 50 10.936 28.695 3.490 1.00 0.00 ATOM 377 N ARG A 51 12.121 29.250 3.781 1.00 0.00 ATOM 378 CA ARG A 51 13.307 28.462 4.075 1.00 0.00 ATOM 379 CB ARG A 51 14.494 28.975 3.274 1.00 0.00 ATOM 380 CG ARG A 51 15.774 28.165 3.514 1.00 0.00 ATOM 381 CD ARG A 51 16.880 28.537 2.550 1.00 0.00 ATOM 382 NE ARG A 51 17.295 29.908 2.750 1.00 0.00 ATOM 383 CZ ARG A 51 18.204 30.280 3.640 1.00 0.00 ATOM 384 NH1 ARG A 51 18.794 29.374 4.405 1.00 0.00 ATOM 385 NH2 ARG A 51 18.529 31.563 3.755 1.00 0.00 ATOM 386 O ARG A 51 13.601 29.626 6.160 1.00 0.00 ATOM 387 C ARG A 51 13.645 28.553 5.565 1.00 0.00 ATOM 388 N LEU A 52 13.929 27.396 6.156 1.00 0.00 ATOM 389 CA LEU A 52 14.157 27.272 7.569 1.00 0.00 ATOM 390 CB LEU A 52 13.774 25.871 8.009 1.00 0.00 ATOM 391 CG LEU A 52 13.629 25.510 9.459 1.00 0.00 ATOM 392 CD1 LEU A 52 12.828 26.529 10.249 1.00 0.00 ATOM 393 CD2 LEU A 52 13.017 24.075 9.573 1.00 0.00 ATOM 394 O LEU A 52 16.488 26.922 7.350 1.00 0.00 ATOM 395 C LEU A 52 15.599 27.544 7.895 1.00 0.00 ATOM 396 N ILE A 53 15.810 28.476 8.815 1.00 0.00 ATOM 397 CA ILE A 53 17.140 28.817 9.266 1.00 0.00 ATOM 398 CB ILE A 53 17.292 30.391 9.339 1.00 0.00 ATOM 399 CG1 ILE A 53 17.018 31.046 7.983 1.00 0.00 ATOM 400 CG2 ILE A 53 18.693 30.769 9.826 1.00 0.00 ATOM 401 CD1 ILE A 53 16.846 32.514 8.075 1.00 0.00 ATOM 402 O ILE A 53 18.540 27.727 10.890 1.00 0.00 ATOM 403 C ILE A 53 17.452 28.265 10.670 1.00 0.00 ATOM 404 N GLU A 54 16.535 28.478 11.638 1.00 0.00 ATOM 405 CA GLU A 54 16.720 27.982 12.988 1.00 0.00 ATOM 406 CB GLU A 54 17.017 29.103 13.997 1.00 0.00 ATOM 407 CG GLU A 54 18.282 29.916 13.695 1.00 0.00 ATOM 408 CD GLU A 54 18.693 30.867 14.817 1.00 0.00 ATOM 409 OE1 GLU A 54 17.928 30.963 15.817 1.00 0.00 ATOM 410 OE2 GLU A 54 19.822 31.470 14.723 1.00 0.00 ATOM 411 O GLU A 54 14.336 27.623 13.094 1.00 0.00 ATOM 412 C GLU A 54 15.471 27.261 13.460 1.00 0.00 ATOM 413 N VAL A 55 15.694 26.283 14.335 1.00 0.00 ATOM 414 CA VAL A 55 14.654 25.581 15.092 1.00 0.00 ATOM 415 CB VAL A 55 14.513 24.106 14.684 1.00 0.00 ATOM 416 CG1 VAL A 55 13.501 23.359 15.588 1.00 0.00 ATOM 417 CG2 VAL A 55 14.154 23.962 13.219 1.00 0.00 ATOM 418 O VAL A 55 16.057 25.304 17.025 1.00 0.00 ATOM 419 C VAL A 55 14.994 25.699 16.569 1.00 0.00 ATOM 420 N ASN A 56 14.077 26.266 17.336 1.00 0.00 ATOM 421 CA ASN A 56 14.279 26.454 18.757 1.00 0.00 ATOM 422 CB ASN A 56 14.050 25.137 19.491 1.00 0.00 ATOM 423 CG ASN A 56 12.648 24.605 19.336 1.00 0.00 ATOM 424 ND2 ASN A 56 12.508 23.281 19.408 1.00 0.00 ATOM 425 OD1 ASN A 56 11.714 25.358 19.156 1.00 0.00 ATOM 426 O ASN A 56 16.307 26.672 20.015 1.00 0.00 ATOM 427 C ASN A 56 15.628 27.098 19.101 1.00 0.00 ATOM 428 N GLY A 57 15.995 28.108 18.319 1.00 0.00 ATOM 429 CA GLY A 57 17.184 28.890 18.588 1.00 0.00 ATOM 430 O GLY A 57 19.538 28.938 18.279 1.00 0.00 ATOM 431 C GLY A 57 18.450 28.358 18.034 1.00 0.00 ATOM 432 N GLN A 58 18.395 27.196 17.393 1.00 0.00 ATOM 433 CA GLN A 58 19.563 26.497 16.860 1.00 0.00 ATOM 434 CB GLN A 58 19.603 25.058 17.396 1.00 0.00 ATOM 435 CG GLN A 58 19.595 24.967 18.920 1.00 0.00 ATOM 436 CD GLN A 58 19.755 23.545 19.449 1.00 0.00 ATOM 437 OE1 GLN A 58 19.128 22.600 18.959 1.00 0.00 ATOM 438 NE2 GLN A 58 20.576 23.395 20.476 1.00 0.00 ATOM 439 O GLN A 58 18.574 26.103 14.682 1.00 0.00 ATOM 440 C GLN A 58 19.551 26.486 15.323 1.00 0.00 ATOM 441 N ASN A 59 20.644 26.945 14.722 1.00 0.00 ATOM 442 CA ASN A 59 20.777 26.949 13.301 1.00 0.00 ATOM 443 CB ASN A 59 22.041 27.687 12.894 1.00 0.00 ATOM 444 CG ASN A 59 22.142 27.827 11.410 1.00 0.00 ATOM 445 ND2 ASN A 59 21.900 29.033 10.903 1.00 0.00 ATOM 446 OD1 ASN A 59 22.399 26.844 10.722 1.00 0.00 ATOM 447 O ASN A 59 21.472 24.649 13.344 1.00 0.00 ATOM 448 C ASN A 59 20.789 25.505 12.778 1.00 0.00 ATOM 449 N VAL A 60 19.945 25.239 11.772 1.00 0.00 ATOM 450 CA VAL A 60 19.744 23.909 11.243 1.00 0.00 ATOM 451 CB VAL A 60 18.258 23.426 11.382 1.00 0.00 ATOM 452 CG1 VAL A 60 17.924 23.313 12.868 1.00 0.00 ATOM 453 CG2 VAL A 60 17.280 24.354 10.679 1.00 0.00 ATOM 454 O VAL A 60 20.031 22.750 9.176 1.00 0.00 ATOM 455 C VAL A 60 20.230 23.786 9.817 1.00 0.00 ATOM 456 N GLU A 61 20.914 24.816 9.324 1.00 0.00 ATOM 457 CA GLU A 61 21.292 24.858 7.936 1.00 0.00 ATOM 458 CB GLU A 61 21.774 26.264 7.549 1.00 0.00 ATOM 459 CG GLU A 61 20.669 27.330 7.642 1.00 0.00 ATOM 460 CD GLU A 61 21.157 28.723 7.293 1.00 0.00 ATOM 461 OE1 GLU A 61 21.947 29.276 8.064 1.00 0.00 ATOM 462 OE2 GLU A 61 20.759 29.264 6.245 1.00 0.00 ATOM 463 O GLU A 61 22.326 23.364 6.408 1.00 0.00 ATOM 464 C GLU A 61 22.307 23.780 7.553 1.00 0.00 ATOM 465 N GLY A 62 23.084 23.287 8.501 1.00 0.00 ATOM 466 CA GLY A 62 24.008 22.181 8.225 1.00 0.00 ATOM 467 O GLY A 62 24.231 19.808 7.984 1.00 0.00 ATOM 468 C GLY A 62 23.484 20.750 8.286 1.00 0.00 ATOM 469 N LEU A 63 22.210 20.572 8.665 1.00 0.00 ATOM 470 CA LEU A 63 21.677 19.247 9.003 1.00 0.00 ATOM 471 CB LEU A 63 20.663 19.389 10.134 1.00 0.00 ATOM 472 CG LEU A 63 21.193 19.945 11.454 1.00 0.00 ATOM 473 CD1 LEU A 63 20.094 20.031 12.556 1.00 0.00 ATOM 474 CD2 LEU A 63 22.369 19.111 11.953 1.00 0.00 ATOM 475 O LEU A 63 20.437 19.119 6.952 1.00 0.00 ATOM 476 C LEU A 63 20.992 18.510 7.849 1.00 0.00 ATOM 477 N ARG A 64 20.961 17.175 7.948 1.00 0.00 ATOM 478 CA ARG A 64 20.130 16.372 7.062 1.00 0.00 ATOM 479 CB ARG A 64 20.490 14.904 7.201 1.00 0.00 ATOM 480 CG ARG A 64 21.928 14.565 6.850 1.00 0.00 ATOM 481 CD ARG A 64 22.089 13.083 7.089 1.00 0.00 ATOM 482 NE ARG A 64 23.373 12.531 6.646 1.00 0.00 ATOM 483 CZ ARG A 64 23.578 11.961 5.465 1.00 0.00 ATOM 484 NH1 ARG A 64 22.590 11.859 4.581 1.00 0.00 ATOM 485 NH2 ARG A 64 24.787 11.479 5.172 1.00 0.00 ATOM 486 O ARG A 64 18.289 16.830 8.518 1.00 0.00 ATOM 487 C ARG A 64 18.639 16.498 7.404 1.00 0.00 ATOM 488 N HIS A 65 17.782 16.248 6.421 1.00 0.00 ATOM 489 CA HIS A 65 16.340 16.310 6.610 1.00 0.00 ATOM 490 CB HIS A 65 15.641 15.655 5.402 1.00 0.00 ATOM 491 CG HIS A 65 14.146 15.686 5.464 1.00 0.00 ATOM 492 CD2 HIS A 65 13.241 14.727 5.776 1.00 0.00 ATOM 493 ND1 HIS A 65 13.424 16.828 5.198 1.00 0.00 ATOM 494 CE1 HIS A 65 12.125 16.561 5.316 1.00 0.00 ATOM 495 NE2 HIS A 65 11.990 15.303 5.705 1.00 0.00 ATOM 496 O HIS A 65 15.140 16.243 8.697 1.00 0.00 ATOM 497 C HIS A 65 15.878 15.642 7.918 1.00 0.00 ATOM 498 N ALA A 66 16.302 14.401 8.161 1.00 0.00 ATOM 499 CA ALA A 66 15.795 13.677 9.329 1.00 0.00 ATOM 500 CB ALA A 66 16.327 12.259 9.352 1.00 0.00 ATOM 501 O ALA A 66 15.388 14.338 11.607 1.00 0.00 ATOM 502 C ALA A 66 16.136 14.389 10.634 1.00 0.00 ATOM 503 N GLU A 67 17.315 14.994 10.674 1.00 0.00 ATOM 504 CA GLU A 67 17.783 15.702 11.875 1.00 0.00 ATOM 505 CB GLU A 67 19.293 16.025 11.800 1.00 0.00 ATOM 506 CG GLU A 67 20.289 14.832 11.656 1.00 0.00 ATOM 507 CD GLU A 67 21.781 15.330 11.428 1.00 0.00 ATOM 508 OE1 GLU A 67 22.130 15.755 10.289 1.00 0.00 ATOM 509 OE2 GLU A 67 22.613 15.314 12.401 1.00 0.00 ATOM 510 O GLU A 67 16.660 17.371 13.169 1.00 0.00 ATOM 511 C GLU A 67 16.966 16.985 12.056 1.00 0.00 ATOM 512 N VAL A 68 16.624 17.663 10.968 1.00 0.00 ATOM 513 CA VAL A 68 15.811 18.876 11.098 1.00 0.00 ATOM 514 CB VAL A 68 15.735 19.655 9.756 1.00 0.00 ATOM 515 CG1 VAL A 68 14.829 20.896 9.912 1.00 0.00 ATOM 516 CG2 VAL A 68 17.145 20.074 9.288 1.00 0.00 ATOM 517 O VAL A 68 13.872 19.130 12.488 1.00 0.00 ATOM 518 C VAL A 68 14.420 18.494 11.593 1.00 0.00 ATOM 519 N VAL A 69 13.877 17.410 11.062 1.00 0.00 ATOM 520 CA VAL A 69 12.572 16.875 11.542 1.00 0.00 ATOM 521 CB VAL A 69 12.174 15.605 10.764 1.00 0.00 ATOM 522 CG1 VAL A 69 11.011 14.861 11.457 1.00 0.00 ATOM 523 CG2 VAL A 69 11.813 16.004 9.305 1.00 0.00 ATOM 524 O VAL A 69 11.786 16.989 13.819 1.00 0.00 ATOM 525 C VAL A 69 12.642 16.584 13.053 1.00 0.00 ATOM 526 N ALA A 70 13.712 15.914 13.488 1.00 0.00 ATOM 527 CA ALA A 70 13.865 15.600 14.905 1.00 0.00 ATOM 528 CB ALA A 70 15.100 14.744 15.130 1.00 0.00 ATOM 529 O ALA A 70 13.308 16.978 16.825 1.00 0.00 ATOM 530 C ALA A 70 13.912 16.878 15.743 1.00 0.00 ATOM 531 N SER A 71 14.628 17.866 15.249 1.00 0.00 ATOM 532 CA SER A 71 14.731 19.122 15.980 1.00 0.00 ATOM 533 CB SER A 71 15.674 20.090 15.271 1.00 0.00 ATOM 534 OG SER A 71 16.993 19.588 15.207 1.00 0.00 ATOM 535 O SER A 71 13.029 20.296 17.220 1.00 0.00 ATOM 536 C SER A 71 13.352 19.778 16.142 1.00 0.00 ATOM 537 N ILE A 72 12.528 19.760 15.085 1.00 0.00 ATOM 538 CA ILE A 72 11.172 20.346 15.165 1.00 0.00 ATOM 539 CB ILE A 72 10.538 20.392 13.772 1.00 0.00 ATOM 540 CG1 ILE A 72 11.324 21.339 12.862 1.00 0.00 ATOM 541 CG2 ILE A 72 9.077 20.789 13.831 1.00 0.00 ATOM 542 CD1 ILE A 72 10.996 21.189 11.409 1.00 0.00 ATOM 543 O ILE A 72 9.526 20.162 16.913 1.00 0.00 ATOM 544 C ILE A 72 10.310 19.574 16.161 1.00 0.00 ATOM 545 N LYS A 73 10.485 18.251 16.208 1.00 0.00 ATOM 546 CA LYS A 73 9.688 17.424 17.083 1.00 0.00 ATOM 547 CB LYS A 73 9.625 15.999 16.526 1.00 0.00 ATOM 548 CG LYS A 73 8.859 15.828 15.197 1.00 0.00 ATOM 549 CD LYS A 73 8.823 14.310 14.796 1.00 0.00 ATOM 550 CE LYS A 73 8.098 14.049 13.506 1.00 0.00 ATOM 551 NZ LYS A 73 8.033 12.599 13.209 1.00 0.00 ATOM 552 O LYS A 73 9.651 16.653 19.366 1.00 0.00 ATOM 553 C LYS A 73 10.221 17.363 18.536 1.00 0.00 ATOM 554 N ALA A 74 11.240 18.157 18.873 1.00 0.00 ATOM 555 CA ALA A 74 11.913 17.988 20.169 1.00 0.00 ATOM 556 CB ALA A 74 13.191 18.787 20.216 1.00 0.00 ATOM 557 O ALA A 74 11.163 17.671 22.421 1.00 0.00 ATOM 558 C ALA A 74 11.053 18.327 21.387 1.00 0.00 ATOM 559 N ARG A 75 10.259 19.388 21.295 1.00 0.00 ATOM 560 CA ARG A 75 9.424 19.808 22.395 1.00 0.00 ATOM 561 CB ARG A 75 9.421 21.331 22.543 1.00 0.00 ATOM 562 CG ARG A 75 10.815 21.899 22.745 1.00 0.00 ATOM 563 CD ARG A 75 10.808 23.412 22.915 1.00 0.00 ATOM 564 NE ARG A 75 12.181 23.927 22.934 1.00 0.00 ATOM 565 CZ ARG A 75 12.519 25.160 23.272 1.00 0.00 ATOM 566 NH1 ARG A 75 11.601 26.037 23.658 1.00 0.00 ATOM 567 NH2 ARG A 75 13.797 25.503 23.245 1.00 0.00 ATOM 568 O ARG A 75 7.473 19.266 21.089 1.00 0.00 ATOM 569 C ARG A 75 7.987 19.307 22.197 1.00 0.00 ATOM 570 N GLU A 76 7.326 18.944 23.278 1.00 0.00 ATOM 571 CA GLU A 76 5.974 18.440 23.104 1.00 0.00 ATOM 572 CB GLU A 76 5.443 17.850 24.413 1.00 0.00 ATOM 573 CG GLU A 76 4.014 17.300 24.298 1.00 0.00 ATOM 574 CD GLU A 76 3.888 16.120 23.319 1.00 0.00 ATOM 575 OE1 GLU A 76 4.893 15.397 23.154 1.00 0.00 ATOM 576 OE2 GLU A 76 2.771 15.875 22.755 1.00 0.00 ATOM 577 O GLU A 76 4.174 19.145 21.758 1.00 0.00 ATOM 578 C GLU A 76 5.021 19.491 22.587 1.00 0.00 ATOM 579 N ASP A 77 5.125 20.704 23.115 1.00 0.00 ATOM 580 CA ASP A 77 4.088 21.752 23.041 1.00 0.00 ATOM 581 CB ASP A 77 4.111 22.732 24.287 1.00 0.00 ATOM 582 CG ASP A 77 3.846 22.081 25.644 1.00 0.00 ATOM 583 OD1 ASP A 77 3.263 20.997 25.715 1.00 0.00 ATOM 584 OD2 ASP A 77 4.253 22.733 26.662 1.00 0.00 ATOM 585 O ASP A 77 3.225 23.335 21.472 1.00 0.00 ATOM 586 C ASP A 77 4.184 22.683 21.847 1.00 0.00 ATOM 587 N GLU A 78 5.397 22.853 21.347 1.00 0.00 ATOM 588 CA GLU A 78 5.692 23.986 20.502 1.00 0.00 ATOM 589 CB GLU A 78 5.842 25.234 21.376 1.00 0.00 ATOM 590 CG GLU A 78 6.904 25.142 22.412 1.00 0.00 ATOM 591 CD GLU A 78 7.086 26.367 23.267 1.00 0.00 ATOM 592 OE1 GLU A 78 6.188 27.251 23.362 1.00 0.00 ATOM 593 OE2 GLU A 78 8.205 26.393 23.853 1.00 0.00 ATOM 594 O GLU A 78 7.817 22.987 20.067 1.00 0.00 ATOM 595 C GLU A 78 6.973 23.801 19.709 1.00 0.00 ATOM 596 N ALA A 79 7.122 24.641 18.694 1.00 0.00 ATOM 597 CA ALA A 79 8.355 24.795 17.945 1.00 0.00 ATOM 598 CB ALA A 79 8.379 23.881 16.761 1.00 0.00 ATOM 599 O ALA A 79 7.505 26.869 17.140 1.00 0.00 ATOM 600 C ALA A 79 8.472 26.248 17.528 1.00 0.00 ATOM 601 N ARG A 80 9.671 26.786 17.603 1.00 0.00 ATOM 602 CA ARG A 80 9.965 28.138 17.152 1.00 0.00 ATOM 603 CB ARG A 80 10.672 28.897 18.274 1.00 0.00 ATOM 604 CG ARG A 80 9.841 28.896 19.552 1.00 0.00 ATOM 605 CD ARG A 80 10.573 29.618 20.680 1.00 0.00 ATOM 606 NE ARG A 80 10.320 31.044 20.577 1.00 0.00 ATOM 607 CZ ARG A 80 9.342 31.690 21.209 1.00 0.00 ATOM 608 NH1 ARG A 80 9.195 32.976 21.000 1.00 0.00 ATOM 609 NH2 ARG A 80 8.531 31.073 22.061 1.00 0.00 ATOM 610 O ARG A 80 11.994 27.546 16.036 1.00 0.00 ATOM 611 C ARG A 80 10.842 28.012 15.936 1.00 0.00 ATOM 612 N LEU A 81 10.302 28.437 14.793 1.00 0.00 ATOM 613 CA LEU A 81 10.989 28.318 13.507 1.00 0.00 ATOM 614 CB LEU A 81 10.082 27.644 12.488 1.00 0.00 ATOM 615 CG LEU A 81 9.455 26.298 12.874 1.00 0.00 ATOM 616 CD1 LEU A 81 8.662 25.652 11.748 1.00 0.00 ATOM 617 CD2 LEU A 81 10.433 25.357 13.374 1.00 0.00 ATOM 618 O LEU A 81 10.485 30.567 12.844 1.00 0.00 ATOM 619 C LEU A 81 11.333 29.713 13.004 1.00 0.00 ATOM 620 N LEU A 82 12.610 29.934 12.761 1.00 0.00 ATOM 621 CA LEU A 82 13.083 31.181 12.142 1.00 0.00 ATOM 622 CB LEU A 82 14.451 31.593 12.709 1.00 0.00 ATOM 623 CG LEU A 82 14.913 33.011 12.295 1.00 0.00 ATOM 624 CD1 LEU A 82 14.022 34.079 12.957 1.00 0.00 ATOM 625 CD2 LEU A 82 16.366 33.220 12.640 1.00 0.00 ATOM 626 O LEU A 82 13.938 30.005 10.275 1.00 0.00 ATOM 627 C LEU A 82 13.215 30.913 10.677 1.00 0.00 ATOM 628 N VAL A 83 12.477 31.693 9.890 1.00 0.00 ATOM 629 CA VAL A 83 12.345 31.452 8.463 1.00 0.00 ATOM 630 CB VAL A 83 10.977 30.857 8.109 1.00 0.00 ATOM 631 CG1 VAL A 83 10.723 29.557 8.823 1.00 0.00 ATOM 632 CG2 VAL A 83 9.829 31.844 8.353 1.00 0.00 ATOM 633 O VAL A 83 12.433 33.851 8.152 1.00 0.00 ATOM 634 C VAL A 83 12.573 32.724 7.651 1.00 0.00 ATOM 635 N VAL A 84 12.912 32.529 6.388 1.00 0.00 ATOM 636 CA VAL A 84 12.965 33.634 5.434 1.00 0.00 ATOM 637 CB VAL A 84 14.420 33.974 5.025 1.00 0.00 ATOM 638 CG1 VAL A 84 15.183 34.548 6.186 1.00 0.00 ATOM 639 CG2 VAL A 84 15.135 32.773 4.422 1.00 0.00 ATOM 640 O VAL A 84 12.010 32.096 3.912 1.00 0.00 ATOM 641 C VAL A 84 12.150 33.263 4.212 1.00 0.00 ATOM 642 N GLY A 85 11.674 34.255 3.473 1.00 0.00 ATOM 643 CA GLY A 85 10.940 33.969 2.240 1.00 0.00 ATOM 644 O GLY A 85 13.109 33.583 1.282 1.00 0.00 ATOM 645 C GLY A 85 11.882 33.589 1.118 1.00 0.00 ATOM 646 N PRO A 86 11.320 33.222 -0.028 1.00 0.00 ATOM 647 CA PRO A 86 12.157 32.763 -1.131 1.00 0.00 ATOM 648 CB PRO A 86 11.170 32.344 -2.202 1.00 0.00 ATOM 649 CG PRO A 86 9.864 32.761 -1.788 1.00 0.00 ATOM 650 CD PRO A 86 9.883 33.124 -0.325 1.00 0.00 ATOM 651 O PRO A 86 12.824 35.022 -1.611 1.00 0.00 ATOM 652 C PRO A 86 13.116 33.829 -1.651 1.00 0.00 ATOM 653 N SER A 87 14.255 33.368 -2.140 1.00 0.00 ATOM 654 CA SER A 87 15.205 34.230 -2.780 1.00 0.00 ATOM 655 CB SER A 87 16.218 34.739 -1.775 1.00 0.00 ATOM 656 OG SER A 87 16.945 33.681 -1.234 1.00 0.00 ATOM 657 O SER A 87 16.040 32.278 -3.890 1.00 0.00 ATOM 658 C SER A 87 15.891 33.505 -3.908 1.00 0.00 ATOM 659 N THR A 88 16.336 34.285 -4.878 1.00 0.00 ATOM 660 CA THR A 88 17.034 33.761 -6.043 1.00 0.00 ATOM 661 CB THR A 88 16.024 33.587 -7.247 1.00 0.00 ATOM 662 CG2 THR A 88 16.654 32.967 -8.515 1.00 0.00 ATOM 663 OG1 THR A 88 14.959 32.725 -6.859 1.00 0.00 ATOM 664 O THR A 88 17.943 35.914 -6.516 1.00 0.00 ATOM 665 C THR A 88 18.147 34.722 -6.423 1.00 0.00 ATOM 666 N ARG A 89 19.320 34.177 -6.706 1.00 0.00 ATOM 667 CA ARG A 89 20.438 34.921 -7.289 1.00 0.00 ATOM 668 CB ARG A 89 21.780 34.249 -6.966 1.00 0.00 ATOM 669 CG ARG A 89 22.121 34.328 -5.503 1.00 0.00 ATOM 670 CD ARG A 89 23.423 33.592 -5.165 1.00 0.00 ATOM 671 NE ARG A 89 23.384 32.173 -5.543 1.00 0.00 ATOM 672 CZ ARG A 89 24.385 31.312 -5.346 1.00 0.00 ATOM 673 NH1 ARG A 89 25.516 31.698 -4.759 1.00 0.00 ATOM 674 NH2 ARG A 89 24.250 30.052 -5.731 1.00 0.00 ATOM 675 O ARG A 89 20.057 34.007 -9.450 1.00 0.00 ATOM 676 C ARG A 89 20.262 35.015 -8.784 1.00 0.00 ATOM 677 N LEU A 90 20.322 36.242 -9.299 1.00 0.00 ATOM 678 CA LEU A 90 20.146 36.551 -10.704 1.00 0.00 ATOM 679 CB LEU A 90 18.992 37.538 -10.838 1.00 0.00 ATOM 680 CG LEU A 90 17.673 36.828 -10.536 1.00 0.00 ATOM 681 CD1 LEU A 90 16.660 37.694 -9.928 1.00 0.00 ATOM 682 CD2 LEU A 90 17.168 36.318 -11.855 1.00 0.00 ATOM 683 O LEU A 90 22.263 37.622 -10.633 1.00 0.00 ATOM 684 C LEU A 90 21.361 37.141 -11.354 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 T0340.undertaker-align.pdb looking for model 1 # WARNING: incomplete conformation T0340 can't currently be optimized by undertaker # copying to AlignedFragments data structure # command:# naming current conformation align1 # command:# fraction of real conformation used = 0.956 # GDT_score = -88.611 # GDT_score(maxd=8.000,maxw=2.900)= -90.209 # GDT_score(maxd=8.000,maxw=3.200)= -88.718 # GDT_score(maxd=8.000,maxw=3.500)= -86.856 # GDT_score(maxd=10.000,maxw=3.800)= -87.641 # GDT_score(maxd=10.000,maxw=4.000)= -86.329 # GDT_score(maxd=10.000,maxw=4.200)= -84.830 # GDT_score(maxd=12.000,maxw=4.300)= -86.612 # GDT_score(maxd=12.000,maxw=4.500)= -85.138 # GDT_score(maxd=12.000,maxw=4.700)= -83.523 # GDT_score(maxd=14.000,maxw=5.200)= -81.831 # GDT_score(maxd=14.000,maxw=5.500)= -79.392 # command:# ReadConformPDB reading from PDB file T0340.undertaker-align.pdb looking for model 2 # WARNING: incomplete conformation T0340 can't currently be optimized by undertaker # command:# naming current conformation align2 # command:# fraction of real conformation used = 0.944 # GDT_score = -76.944 # GDT_score(maxd=8.000,maxw=2.900)= -80.819 # GDT_score(maxd=8.000,maxw=3.200)= -77.609 # GDT_score(maxd=8.000,maxw=3.500)= -74.286 # GDT_score(maxd=10.000,maxw=3.800)= -76.217 # GDT_score(maxd=10.000,maxw=4.000)= -74.098 # GDT_score(maxd=10.000,maxw=4.200)= -72.007 # GDT_score(maxd=12.000,maxw=4.300)= -74.974 # GDT_score(maxd=12.000,maxw=4.500)= -72.960 # GDT_score(maxd=12.000,maxw=4.700)= -71.010 # GDT_score(maxd=14.000,maxw=5.200)= -69.545 # GDT_score(maxd=14.000,maxw=5.500)= -66.893 # command:# ReadConformPDB reading from PDB file T0340.undertaker-align.pdb looking for model 3 # WARNING: incomplete conformation T0340 can't currently be optimized by undertaker # command:# naming current conformation align3 # command:# ReadConformPDB reading from PDB file T0340.undertaker-align.pdb looking for model 4 # WARNING: incomplete conformation T0340 can't currently be optimized by undertaker # command:# naming current conformation align4 # command:# ReadConformPDB reading from PDB file T0340.undertaker-align.pdb looking for model 5 # WARNING: incomplete conformation T0340 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 85 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file ../model2.ts-submitted looking for model 1 # ReadConformPDB reading from PDB file ../model3.ts-submitted looking for model 1 # Found a chain break before 48 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file ../model4.ts-submitted looking for model 1 # Found a chain break before 85 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file ../model5.ts-submitted looking for model 1 # WARNING: incomplete conformation T0340 can't currently be optimized by undertaker # ReadConformPDB reading from PDB file T0340.try1-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 47 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0340.try1-opt1.pdb.gz looking for model 1 # Found a chain break before 47 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0340.try1-opt2.gromacs0.pdb.gz looking for model 1 # ReadConformPDB reading from PDB file T0340.try1-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # ReadConformPDB reading from PDB file T0340.try1-opt2.pdb.gz looking for model 1 # Found a chain break before 48 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0340.try1-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 48 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0340.try10-opt2.gromacs0.pdb.gz looking for model 1 Error: Reading chain from PDB file T0340.try10-opt2.gromacs0.pdb.gz failed. # ReadConformPDB reading from PDB file T0340.try11-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 85 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0340.try11-opt1.pdb.gz looking for model 1 # Found a chain break before 85 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0340.try11-opt2.gromacs0.pdb.gz looking for model 1 # ReadConformPDB reading from PDB file T0340.try11-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # ReadConformPDB reading from PDB file T0340.try11-opt2.pdb.gz looking for model 1 # Found a chain break before 85 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0340.try11-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 85 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0340.try12-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 85 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0340.try12-opt1.pdb.gz looking for model 1 # Found a chain break before 85 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0340.try12-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 75 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0340.try12-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 75 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0340.try12-opt2.pdb.gz looking for model 1 # Found a chain break before 85 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0340.try12-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 85 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0340.try2-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 48 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0340.try2-opt1.pdb.gz looking for model 1 # Found a chain break before 48 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0340.try2-opt2.gromacs0.pdb.gz looking for model 1 # ReadConformPDB reading from PDB file T0340.try2-opt2.pdb.gz looking for model 1 # Found a chain break before 48 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0340.try2-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 48 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0340.try3-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 48 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0340.try3-opt1.pdb.gz looking for model 1 # Found a chain break before 48 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0340.try3-opt2.gromacs0.pdb.gz looking for model 1 # ReadConformPDB reading from PDB file T0340.try3-opt2.pdb.gz looking for model 1 # Found a chain break before 48 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0340.try3-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 48 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0340.try4-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 48 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0340.try4-opt1.pdb.gz looking for model 1 # Found a chain break before 48 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0340.try4-opt2.gromacs0.pdb.gz looking for model 1 # ReadConformPDB reading from PDB file T0340.try4-opt2.pdb.gz looking for model 1 # Found a chain break before 48 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0340.try4-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 48 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0340.try6-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 48 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0340.try6-opt1.pdb.gz looking for model 1 # Found a chain break before 48 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0340.try6-opt2.gromacs0.pdb.gz looking for model 1 # ReadConformPDB reading from PDB file T0340.try6-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # ReadConformPDB reading from PDB file T0340.try6-opt2.pdb.gz looking for model 1 # Found a chain break before 48 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0340.try6-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 48 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0340.try7-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 48 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0340.try7-opt1.pdb.gz looking for model 1 # Found a chain break before 48 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0340.try7-opt2.gromacs0.pdb.gz looking for model 1 # ReadConformPDB reading from PDB file T0340.try7-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # ReadConformPDB reading from PDB file T0340.try7-opt2.pdb.gz looking for model 1 # Found a chain break before 85 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0340.try7-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 85 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0340.try8-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 47 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0340.try8-opt1.pdb.gz looking for model 1 # Found a chain break before 47 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0340.try8-opt2.gromacs0.pdb.gz looking for model 1 # ReadConformPDB reading from PDB file T0340.try8-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # ReadConformPDB reading from PDB file T0340.try8-opt2.pdb.gz looking for model 1 # Found a chain break before 48 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0340.try8-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 47 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0340.try9-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 85 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0340.try9-opt1.pdb.gz looking for model 1 # Found a chain break before 85 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0340.try9-opt2.gromacs0.pdb.gz looking for model 1 # ReadConformPDB reading from PDB file T0340.try9-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # ReadConformPDB reading from PDB file T0340.try9-opt2.pdb.gz looking for model 1 # Found a chain break before 85 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0340.try9-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 85 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file servers/3D-JIGSAW_POPULUS_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0340 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation 3D-JIGSAW_POPULUS_TS1 # request to SCWRL produces command: ulimit -t 81 ; scwrl3 -i /var/tmp/to_scwrl_255170946.pdb -s /var/tmp/to_scwrl_255170946.seq -o /var/tmp/from_scwrl_255170946.pdb > /var/tmp/scwrl_255170946.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_255170946.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 T0340 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation 3D-JIGSAW_POPULUS_TS2 # request to SCWRL produces command: ulimit -t 81 ; scwrl3 -i /var/tmp/to_scwrl_1800892411.pdb -s /var/tmp/to_scwrl_1800892411.seq -o /var/tmp/from_scwrl_1800892411.pdb > /var/tmp/scwrl_1800892411.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1800892411.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 T0340 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation 3D-JIGSAW_POPULUS_TS3 # request to SCWRL produces command: ulimit -t 81 ; scwrl3 -i /var/tmp/to_scwrl_1573959088.pdb -s /var/tmp/to_scwrl_1573959088.seq -o /var/tmp/from_scwrl_1573959088.pdb > /var/tmp/scwrl_1573959088.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1573959088.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 T0340 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation 3D-JIGSAW_POPULUS_TS4 # request to SCWRL produces command: ulimit -t 81 ; scwrl3 -i /var/tmp/to_scwrl_922847518.pdb -s /var/tmp/to_scwrl_922847518.seq -o /var/tmp/from_scwrl_922847518.pdb > /var/tmp/scwrl_922847518.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_922847518.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 T0340 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_POPULUS_TS5 # request to SCWRL produces command: ulimit -t 81 ; scwrl3 -i /var/tmp/to_scwrl_1586992254.pdb -s /var/tmp/to_scwrl_1586992254.seq -o /var/tmp/from_scwrl_1586992254.pdb > /var/tmp/scwrl_1586992254.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1586992254.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 T0340 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS1 # request to SCWRL produces command: ulimit -t 81 ; scwrl3 -i /var/tmp/to_scwrl_1742704658.pdb -s /var/tmp/to_scwrl_1742704658.seq -o /var/tmp/from_scwrl_1742704658.pdb > /var/tmp/scwrl_1742704658.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1742704658.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 T0340 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS2 # request to SCWRL produces command: ulimit -t 81 ; scwrl3 -i /var/tmp/to_scwrl_1542639844.pdb -s /var/tmp/to_scwrl_1542639844.seq -o /var/tmp/from_scwrl_1542639844.pdb > /var/tmp/scwrl_1542639844.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1542639844.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 T0340 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS3 # request to SCWRL produces command: ulimit -t 81 ; scwrl3 -i /var/tmp/to_scwrl_1864409089.pdb -s /var/tmp/to_scwrl_1864409089.seq -o /var/tmp/from_scwrl_1864409089.pdb > /var/tmp/scwrl_1864409089.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1864409089.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 T0340 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS4 # request to SCWRL produces command: ulimit -t 81 ; scwrl3 -i /var/tmp/to_scwrl_1275404543.pdb -s /var/tmp/to_scwrl_1275404543.seq -o /var/tmp/from_scwrl_1275404543.pdb > /var/tmp/scwrl_1275404543.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1275404543.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 T0340 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS5 # request to SCWRL produces command: ulimit -t 81 ; scwrl3 -i /var/tmp/to_scwrl_54389451.pdb -s /var/tmp/to_scwrl_54389451.seq -o /var/tmp/from_scwrl_54389451.pdb > /var/tmp/scwrl_54389451.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_54389451.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 T0340 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_TS1 # request to SCWRL produces command: ulimit -t 81 ; scwrl3 -i /var/tmp/to_scwrl_140863967.pdb -s /var/tmp/to_scwrl_140863967.seq -o /var/tmp/from_scwrl_140863967.pdb > /var/tmp/scwrl_140863967.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_140863967.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 T0340 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_TS2 # request to SCWRL produces command: ulimit -t 81 ; scwrl3 -i /var/tmp/to_scwrl_607184656.pdb -s /var/tmp/to_scwrl_607184656.seq -o /var/tmp/from_scwrl_607184656.pdb > /var/tmp/scwrl_607184656.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_607184656.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 T0340 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_TS3 # request to SCWRL produces command: ulimit -t 81 ; scwrl3 -i /var/tmp/to_scwrl_1008992034.pdb -s /var/tmp/to_scwrl_1008992034.seq -o /var/tmp/from_scwrl_1008992034.pdb > /var/tmp/scwrl_1008992034.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1008992034.pdb # conformation set from SCWRL output # naming current conformation 3D-JIGSAW_TS3-scwrl # ReadConformPDB reading from PDB file servers/3D-JIGSAW_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0340 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_TS4 # request to SCWRL produces command: ulimit -t 81 ; scwrl3 -i /var/tmp/to_scwrl_612941543.pdb -s /var/tmp/to_scwrl_612941543.seq -o /var/tmp/from_scwrl_612941543.pdb > /var/tmp/scwrl_612941543.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_612941543.pdb # conformation set from SCWRL output # naming current conformation 3D-JIGSAW_TS4-scwrl # ReadConformPDB reading from PDB file servers/3D-JIGSAW_TS5.pdb.gz looking for model 1 # Found a chain break before 89 # copying to AlignedFragments data structure # naming current conformation 3D-JIGSAW_TS5 # request to SCWRL produces command: ulimit -t 81 ; scwrl3 -i /var/tmp/to_scwrl_1888105548.pdb -s /var/tmp/to_scwrl_1888105548.seq -o /var/tmp/from_scwrl_1888105548.pdb > /var/tmp/scwrl_1888105548.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1888105548.pdb # conformation set from SCWRL output # naming current conformation 3D-JIGSAW_TS5-scwrl # ReadConformPDB reading from PDB file servers/3Dpro_TS1.pdb.gz looking for model 1 # naming current conformation 3Dpro_TS1 # request to SCWRL produces command: ulimit -t 81 ; scwrl3 -i /var/tmp/to_scwrl_21280735.pdb -s /var/tmp/to_scwrl_21280735.seq -o /var/tmp/from_scwrl_21280735.pdb > /var/tmp/scwrl_21280735.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_21280735.pdb # conformation set from SCWRL output # naming current conformation 3Dpro_TS1-scwrl # ReadConformPDB reading from PDB file servers/3Dpro_TS2.pdb.gz looking for model 1 # naming current conformation 3Dpro_TS2 # request to SCWRL produces command: ulimit -t 81 ; scwrl3 -i /var/tmp/to_scwrl_1004193604.pdb -s /var/tmp/to_scwrl_1004193604.seq -o /var/tmp/from_scwrl_1004193604.pdb > /var/tmp/scwrl_1004193604.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1004193604.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 # naming current conformation 3Dpro_TS3 # request to SCWRL produces command: ulimit -t 81 ; scwrl3 -i /var/tmp/to_scwrl_987949666.pdb -s /var/tmp/to_scwrl_987949666.seq -o /var/tmp/from_scwrl_987949666.pdb > /var/tmp/scwrl_987949666.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_987949666.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 59 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS4 # request to SCWRL produces command: ulimit -t 81 ; scwrl3 -i /var/tmp/to_scwrl_1859894416.pdb -s /var/tmp/to_scwrl_1859894416.seq -o /var/tmp/from_scwrl_1859894416.pdb > /var/tmp/scwrl_1859894416.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1859894416.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 74 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS5 # request to SCWRL produces command: ulimit -t 81 ; scwrl3 -i /var/tmp/to_scwrl_91028397.pdb -s /var/tmp/to_scwrl_91028397.seq -o /var/tmp/from_scwrl_91028397.pdb > /var/tmp/scwrl_91028397.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_91028397.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 51 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS1 # request to SCWRL produces command: ulimit -t 81 ; scwrl3 -i /var/tmp/to_scwrl_1619438668.pdb -s /var/tmp/to_scwrl_1619438668.seq -o /var/tmp/from_scwrl_1619438668.pdb > /var/tmp/scwrl_1619438668.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1619438668.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 80 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS2 # request to SCWRL produces command: ulimit -t 81 ; scwrl3 -i /var/tmp/to_scwrl_1879451829.pdb -s /var/tmp/to_scwrl_1879451829.seq -o /var/tmp/from_scwrl_1879451829.pdb > /var/tmp/scwrl_1879451829.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1879451829.pdb # conformation set from SCWRL output # naming current conformation ABIpro_TS2-scwrl # ReadConformPDB reading from PDB file servers/ABIpro_TS3.pdb.gz looking for model 1 # Found a chain break before 86 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS3 # request to SCWRL produces command: ulimit -t 81 ; scwrl3 -i /var/tmp/to_scwrl_2087866983.pdb -s /var/tmp/to_scwrl_2087866983.seq -o /var/tmp/from_scwrl_2087866983.pdb > /var/tmp/scwrl_2087866983.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2087866983.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 80 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS4 # request to SCWRL produces command: ulimit -t 81 ; scwrl3 -i /var/tmp/to_scwrl_563384174.pdb -s /var/tmp/to_scwrl_563384174.seq -o /var/tmp/from_scwrl_563384174.pdb > /var/tmp/scwrl_563384174.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_563384174.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 89 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS5 # request to SCWRL produces command: ulimit -t 81 ; scwrl3 -i /var/tmp/to_scwrl_1375150012.pdb -s /var/tmp/to_scwrl_1375150012.seq -o /var/tmp/from_scwrl_1375150012.pdb > /var/tmp/scwrl_1375150012.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1375150012.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 81 ; scwrl3 -i /var/tmp/to_scwrl_858117819.pdb -s /var/tmp/to_scwrl_858117819.seq -o /var/tmp/from_scwrl_858117819.pdb > /var/tmp/scwrl_858117819.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_858117819.pdb # conformation set from SCWRL output # naming current conformation BayesHH_TS1-scwrl # ReadConformPDB reading from PDB file servers/Bilab-ENABLE_TS1.pdb.gz looking for model 1 # Found a chain break before 10 # copying to AlignedFragments data structure # naming current conformation Bilab-ENABLE_TS1 # request to SCWRL produces command: ulimit -t 81 ; scwrl3 -i /var/tmp/to_scwrl_2021205573.pdb -s /var/tmp/to_scwrl_2021205573.seq -o /var/tmp/from_scwrl_2021205573.pdb > /var/tmp/scwrl_2021205573.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2021205573.pdb # conformation set from SCWRL output # naming current conformation Bilab-ENABLE_TS1-scwrl # ReadConformPDB reading from PDB file servers/Bilab-ENABLE_TS2.pdb.gz looking for model 1 # Found a chain break before 62 # copying to AlignedFragments data structure # naming current conformation Bilab-ENABLE_TS2 # request to SCWRL produces command: ulimit -t 81 ; scwrl3 -i /var/tmp/to_scwrl_635347951.pdb -s /var/tmp/to_scwrl_635347951.seq -o /var/tmp/from_scwrl_635347951.pdb > /var/tmp/scwrl_635347951.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_635347951.pdb # conformation set from SCWRL output # naming current conformation Bilab-ENABLE_TS2-scwrl # ReadConformPDB reading from PDB file servers/Bilab-ENABLE_TS3.pdb.gz looking for model 1 # Found a chain break before 84 # copying to AlignedFragments data structure # naming current conformation Bilab-ENABLE_TS3 # request to SCWRL produces command: ulimit -t 81 ; scwrl3 -i /var/tmp/to_scwrl_893472751.pdb -s /var/tmp/to_scwrl_893472751.seq -o /var/tmp/from_scwrl_893472751.pdb > /var/tmp/scwrl_893472751.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_893472751.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 81 ; scwrl3 -i /var/tmp/to_scwrl_608420342.pdb -s /var/tmp/to_scwrl_608420342.seq -o /var/tmp/from_scwrl_608420342.pdb > /var/tmp/scwrl_608420342.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_608420342.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 81 ; scwrl3 -i /var/tmp/to_scwrl_785222403.pdb -s /var/tmp/to_scwrl_785222403.seq -o /var/tmp/from_scwrl_785222403.pdb > /var/tmp/scwrl_785222403.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_785222403.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 39 # copying to AlignedFragments data structure # naming current conformation CIRCLE_TS1 # request to SCWRL produces command: ulimit -t 81 ; scwrl3 -i /var/tmp/to_scwrl_1148643697.pdb -s /var/tmp/to_scwrl_1148643697.seq -o /var/tmp/from_scwrl_1148643697.pdb > /var/tmp/scwrl_1148643697.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1148643697.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 T0340 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation CIRCLE_TS2 # request to SCWRL produces command: ulimit -t 81 ; scwrl3 -i /var/tmp/to_scwrl_261829106.pdb -s /var/tmp/to_scwrl_261829106.seq -o /var/tmp/from_scwrl_261829106.pdb > /var/tmp/scwrl_261829106.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_261829106.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 T0340 can't currently be optimized by undertaker # naming current conformation CIRCLE_TS3 # request to SCWRL produces command: ulimit -t 81 ; scwrl3 -i /var/tmp/to_scwrl_211697845.pdb -s /var/tmp/to_scwrl_211697845.seq -o /var/tmp/from_scwrl_211697845.pdb > /var/tmp/scwrl_211697845.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_211697845.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 T0340 can't currently be optimized by undertaker # naming current conformation CIRCLE_TS4 # request to SCWRL produces command: ulimit -t 81 ; scwrl3 -i /var/tmp/to_scwrl_2071491215.pdb -s /var/tmp/to_scwrl_2071491215.seq -o /var/tmp/from_scwrl_2071491215.pdb > /var/tmp/scwrl_2071491215.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2071491215.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 T0340 can't currently be optimized by undertaker # naming current conformation CIRCLE_TS5 # request to SCWRL produces command: ulimit -t 81 ; scwrl3 -i /var/tmp/to_scwrl_1848821360.pdb -s /var/tmp/to_scwrl_1848821360.seq -o /var/tmp/from_scwrl_1848821360.pdb > /var/tmp/scwrl_1848821360.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1848821360.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 T0340 can't currently be optimized by undertaker # naming current conformation CPHmodels_TS1 # request to SCWRL produces command: ulimit -t 81 ; scwrl3 -i /var/tmp/to_scwrl_1954402503.pdb -s /var/tmp/to_scwrl_1954402503.seq -o /var/tmp/from_scwrl_1954402503.pdb > /var/tmp/scwrl_1954402503.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1954402503.pdb # conformation set from SCWRL output # naming current conformation CPHmodels_TS1-scwrl # ReadConformPDB reading from PDB file servers/CaspIta-FOX_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0340 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation CaspIta-FOX_TS1 # request to SCWRL produces command: ulimit -t 81 ; scwrl3 -i /var/tmp/to_scwrl_1466647412.pdb -s /var/tmp/to_scwrl_1466647412.seq -o /var/tmp/from_scwrl_1466647412.pdb > /var/tmp/scwrl_1466647412.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1466647412.pdb # conformation set from SCWRL output # naming current conformation CaspIta-FOX_TS1-scwrl # ReadConformPDB reading from PDB file servers/CaspIta-FOX_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0340 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation CaspIta-FOX_TS2 # request to SCWRL produces command: ulimit -t 81 ; scwrl3 -i /var/tmp/to_scwrl_1565746802.pdb -s /var/tmp/to_scwrl_1565746802.seq -o /var/tmp/from_scwrl_1565746802.pdb > /var/tmp/scwrl_1565746802.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1565746802.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 T0340 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation CaspIta-FOX_TS3 # request to SCWRL produces command: ulimit -t 81 ; scwrl3 -i /var/tmp/to_scwrl_1082323399.pdb -s /var/tmp/to_scwrl_1082323399.seq -o /var/tmp/from_scwrl_1082323399.pdb > /var/tmp/scwrl_1082323399.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1082323399.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 T0340 can't currently be optimized by undertaker # naming current conformation CaspIta-FOX_TS4 # request to SCWRL produces command: ulimit -t 81 ; scwrl3 -i /var/tmp/to_scwrl_1521036863.pdb -s /var/tmp/to_scwrl_1521036863.seq -o /var/tmp/from_scwrl_1521036863.pdb > /var/tmp/scwrl_1521036863.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1521036863.pdb # conformation set from SCWRL output # naming current conformation CaspIta-FOX_TS4-scwrl # ReadConformPDB reading from PDB file servers/CaspIta-FOX_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0340 can't currently be optimized by undertaker # naming current conformation CaspIta-FOX_TS5 # request to SCWRL produces command: ulimit -t 81 ; scwrl3 -i /var/tmp/to_scwrl_1706610769.pdb -s /var/tmp/to_scwrl_1706610769.seq -o /var/tmp/from_scwrl_1706610769.pdb > /var/tmp/scwrl_1706610769.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1706610769.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 T0340 can't currently be optimized by undertaker # naming current conformation Distill_TS1 # request to SCWRL produces command: ulimit -t 81 ; scwrl3 -i /var/tmp/to_scwrl_1689508056.pdb -s /var/tmp/to_scwrl_1689508056.seq -o /var/tmp/from_scwrl_1689508056.pdb > /var/tmp/scwrl_1689508056.log Error: Couldn't open file /var/tmp/from_scwrl_1689508056.pdb or /var/tmp/from_scwrl_1689508056.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1689508056_b.pdb or decoys//var/tmp/from_scwrl_1689508056_b.pdb.gz for input Trying /var/tmp/from_scwrl_1689508056_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1689508056_b.pdb or /var/tmp/from_scwrl_1689508056_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1689508056_a.pdb or decoys//var/tmp/from_scwrl_1689508056_a.pdb.gz for input Trying /var/tmp/from_scwrl_1689508056_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1689508056_a.pdb or /var/tmp/from_scwrl_1689508056_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1689508056.pdb or /var/tmp/from_scwrl_1689508056_b.pdb or /var/tmp/from_scwrl_1689508056_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 T0340 can't currently be optimized by undertaker # naming current conformation Distill_TS2 # request to SCWRL produces command: ulimit -t 81 ; scwrl3 -i /var/tmp/to_scwrl_382545250.pdb -s /var/tmp/to_scwrl_382545250.seq -o /var/tmp/from_scwrl_382545250.pdb > /var/tmp/scwrl_382545250.log Error: Couldn't open file /var/tmp/from_scwrl_382545250.pdb or /var/tmp/from_scwrl_382545250.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_382545250_b.pdb or decoys//var/tmp/from_scwrl_382545250_b.pdb.gz for input Trying /var/tmp/from_scwrl_382545250_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_382545250_b.pdb or /var/tmp/from_scwrl_382545250_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_382545250_a.pdb or decoys//var/tmp/from_scwrl_382545250_a.pdb.gz for input Trying /var/tmp/from_scwrl_382545250_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_382545250_a.pdb or /var/tmp/from_scwrl_382545250_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_382545250.pdb or /var/tmp/from_scwrl_382545250_b.pdb or /var/tmp/from_scwrl_382545250_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 T0340 can't currently be optimized by undertaker # naming current conformation Distill_TS3 # request to SCWRL produces command: ulimit -t 81 ; scwrl3 -i /var/tmp/to_scwrl_172068666.pdb -s /var/tmp/to_scwrl_172068666.seq -o /var/tmp/from_scwrl_172068666.pdb > /var/tmp/scwrl_172068666.log Error: Couldn't open file /var/tmp/from_scwrl_172068666.pdb or /var/tmp/from_scwrl_172068666.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_172068666_b.pdb or decoys//var/tmp/from_scwrl_172068666_b.pdb.gz for input Trying /var/tmp/from_scwrl_172068666_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_172068666_b.pdb or /var/tmp/from_scwrl_172068666_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_172068666_a.pdb or decoys//var/tmp/from_scwrl_172068666_a.pdb.gz for input Trying /var/tmp/from_scwrl_172068666_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_172068666_a.pdb or /var/tmp/from_scwrl_172068666_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_172068666.pdb or /var/tmp/from_scwrl_172068666_b.pdb or /var/tmp/from_scwrl_172068666_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 T0340 can't currently be optimized by undertaker # naming current conformation Distill_TS4 # request to SCWRL produces command: ulimit -t 81 ; scwrl3 -i /var/tmp/to_scwrl_1430129957.pdb -s /var/tmp/to_scwrl_1430129957.seq -o /var/tmp/from_scwrl_1430129957.pdb > /var/tmp/scwrl_1430129957.log Error: Couldn't open file /var/tmp/from_scwrl_1430129957.pdb or /var/tmp/from_scwrl_1430129957.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1430129957_b.pdb or decoys//var/tmp/from_scwrl_1430129957_b.pdb.gz for input Trying /var/tmp/from_scwrl_1430129957_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1430129957_b.pdb or /var/tmp/from_scwrl_1430129957_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1430129957_a.pdb or decoys//var/tmp/from_scwrl_1430129957_a.pdb.gz for input Trying /var/tmp/from_scwrl_1430129957_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1430129957_a.pdb or /var/tmp/from_scwrl_1430129957_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1430129957.pdb or /var/tmp/from_scwrl_1430129957_b.pdb or /var/tmp/from_scwrl_1430129957_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 T0340 can't currently be optimized by undertaker # naming current conformation Distill_TS5 # request to SCWRL produces command: ulimit -t 81 ; scwrl3 -i /var/tmp/to_scwrl_403825985.pdb -s /var/tmp/to_scwrl_403825985.seq -o /var/tmp/from_scwrl_403825985.pdb > /var/tmp/scwrl_403825985.log Error: Couldn't open file /var/tmp/from_scwrl_403825985.pdb or /var/tmp/from_scwrl_403825985.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_403825985_b.pdb or decoys//var/tmp/from_scwrl_403825985_b.pdb.gz for input Trying /var/tmp/from_scwrl_403825985_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_403825985_b.pdb or /var/tmp/from_scwrl_403825985_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_403825985_a.pdb or decoys//var/tmp/from_scwrl_403825985_a.pdb.gz for input Trying /var/tmp/from_scwrl_403825985_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_403825985_a.pdb or /var/tmp/from_scwrl_403825985_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_403825985.pdb or /var/tmp/from_scwrl_403825985_b.pdb or /var/tmp/from_scwrl_403825985_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 # naming current conformation FAMSD_TS1 # request to SCWRL produces command: ulimit -t 81 ; scwrl3 -i /var/tmp/to_scwrl_1176262269.pdb -s /var/tmp/to_scwrl_1176262269.seq -o /var/tmp/from_scwrl_1176262269.pdb > /var/tmp/scwrl_1176262269.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1176262269.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 T0340 can't currently be optimized by undertaker # naming current conformation FAMSD_TS2 # request to SCWRL produces command: ulimit -t 81 ; scwrl3 -i /var/tmp/to_scwrl_270595977.pdb -s /var/tmp/to_scwrl_270595977.seq -o /var/tmp/from_scwrl_270595977.pdb > /var/tmp/scwrl_270595977.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_270595977.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 T0340 can't currently be optimized by undertaker # naming current conformation FAMSD_TS3 # request to SCWRL produces command: ulimit -t 81 ; scwrl3 -i /var/tmp/to_scwrl_116236754.pdb -s /var/tmp/to_scwrl_116236754.seq -o /var/tmp/from_scwrl_116236754.pdb > /var/tmp/scwrl_116236754.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_116236754.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 T0340 can't currently be optimized by undertaker # naming current conformation FAMSD_TS4 # request to SCWRL produces command: ulimit -t 81 ; scwrl3 -i /var/tmp/to_scwrl_1267290666.pdb -s /var/tmp/to_scwrl_1267290666.seq -o /var/tmp/from_scwrl_1267290666.pdb > /var/tmp/scwrl_1267290666.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1267290666.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 T0340 can't currently be optimized by undertaker # naming current conformation FAMSD_TS5 # request to SCWRL produces command: ulimit -t 81 ; scwrl3 -i /var/tmp/to_scwrl_1890034645.pdb -s /var/tmp/to_scwrl_1890034645.seq -o /var/tmp/from_scwrl_1890034645.pdb > /var/tmp/scwrl_1890034645.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1890034645.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 86 # copying to AlignedFragments data structure # naming current conformation FAMS_TS1 # request to SCWRL produces command: ulimit -t 81 ; scwrl3 -i /var/tmp/to_scwrl_1995688584.pdb -s /var/tmp/to_scwrl_1995688584.seq -o /var/tmp/from_scwrl_1995688584.pdb > /var/tmp/scwrl_1995688584.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1995688584.pdb # conformation set from SCWRL output # naming current conformation FAMS_TS1-scwrl # ReadConformPDB reading from PDB file servers/FAMS_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0340 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FAMS_TS2 # request to SCWRL produces command: ulimit -t 81 ; scwrl3 -i /var/tmp/to_scwrl_1207674002.pdb -s /var/tmp/to_scwrl_1207674002.seq -o /var/tmp/from_scwrl_1207674002.pdb > /var/tmp/scwrl_1207674002.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1207674002.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 T0340 can't currently be optimized by undertaker # naming current conformation FAMS_TS3 # request to SCWRL produces command: ulimit -t 81 ; scwrl3 -i /var/tmp/to_scwrl_305935172.pdb -s /var/tmp/to_scwrl_305935172.seq -o /var/tmp/from_scwrl_305935172.pdb > /var/tmp/scwrl_305935172.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_305935172.pdb # conformation set from SCWRL output # naming current conformation FAMS_TS3-scwrl # ReadConformPDB reading from PDB file servers/FAMS_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0340 can't currently be optimized by undertaker # naming current conformation FAMS_TS4 # request to SCWRL produces command: ulimit -t 81 ; scwrl3 -i /var/tmp/to_scwrl_1223354949.pdb -s /var/tmp/to_scwrl_1223354949.seq -o /var/tmp/from_scwrl_1223354949.pdb > /var/tmp/scwrl_1223354949.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1223354949.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 T0340 can't currently be optimized by undertaker # naming current conformation FAMS_TS5 # request to SCWRL produces command: ulimit -t 81 ; scwrl3 -i /var/tmp/to_scwrl_2065791822.pdb -s /var/tmp/to_scwrl_2065791822.seq -o /var/tmp/from_scwrl_2065791822.pdb > /var/tmp/scwrl_2065791822.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2065791822.pdb # conformation set from SCWRL output # naming current conformation FAMS_TS5-scwrl # ReadConformPDB reading from PDB file servers/FOLDpro_TS1.pdb.gz looking for model 1 # naming current conformation FOLDpro_TS1 # request to SCWRL produces command: ulimit -t 81 ; scwrl3 -i /var/tmp/to_scwrl_179657098.pdb -s /var/tmp/to_scwrl_179657098.seq -o /var/tmp/from_scwrl_179657098.pdb > /var/tmp/scwrl_179657098.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_179657098.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 81 ; scwrl3 -i /var/tmp/to_scwrl_1858702901.pdb -s /var/tmp/to_scwrl_1858702901.seq -o /var/tmp/from_scwrl_1858702901.pdb > /var/tmp/scwrl_1858702901.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1858702901.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 74 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS3 # request to SCWRL produces command: ulimit -t 81 ; scwrl3 -i /var/tmp/to_scwrl_811780926.pdb -s /var/tmp/to_scwrl_811780926.seq -o /var/tmp/from_scwrl_811780926.pdb > /var/tmp/scwrl_811780926.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_811780926.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 59 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS4 # request to SCWRL produces command: ulimit -t 81 ; scwrl3 -i /var/tmp/to_scwrl_788077440.pdb -s /var/tmp/to_scwrl_788077440.seq -o /var/tmp/from_scwrl_788077440.pdb > /var/tmp/scwrl_788077440.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_788077440.pdb # conformation set from SCWRL output # naming current conformation FOLDpro_TS4-scwrl # ReadConformPDB reading from PDB file servers/FOLDpro_TS5.pdb.gz looking for model 1 # naming current conformation FOLDpro_TS5 # request to SCWRL produces command: ulimit -t 81 ; scwrl3 -i /var/tmp/to_scwrl_496441657.pdb -s /var/tmp/to_scwrl_496441657.seq -o /var/tmp/from_scwrl_496441657.pdb > /var/tmp/scwrl_496441657.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_496441657.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 T0340 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FORTE1_AL1 # request to SCWRL produces command: ulimit -t 81 ; scwrl3 -i /var/tmp/to_scwrl_1960424623.pdb -s /var/tmp/to_scwrl_1960424623.seq -o /var/tmp/from_scwrl_1960424623.pdb > /var/tmp/scwrl_1960424623.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1960424623.pdb # conformation set from SCWRL output # naming current conformation FORTE1_AL1-scwrl # ReadConformPDB reading from PDB file servers/FORTE1_AL2.pdb.gz looking for model 1 Skipped atom 211, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL2.pdb.gz # WARNING: incomplete conformation T0340 can't currently be optimized by undertaker # naming current conformation FORTE1_AL2 # request to SCWRL produces command: ulimit -t 81 ; scwrl3 -i /var/tmp/to_scwrl_1049906546.pdb -s /var/tmp/to_scwrl_1049906546.seq -o /var/tmp/from_scwrl_1049906546.pdb > /var/tmp/scwrl_1049906546.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1049906546.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 T0340 can't currently be optimized by undertaker # naming current conformation FORTE1_AL3 # request to SCWRL produces command: ulimit -t 81 ; scwrl3 -i /var/tmp/to_scwrl_708139502.pdb -s /var/tmp/to_scwrl_708139502.seq -o /var/tmp/from_scwrl_708139502.pdb > /var/tmp/scwrl_708139502.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_708139502.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 T0340 can't currently be optimized by undertaker # naming current conformation FORTE1_AL4 # request to SCWRL produces command: ulimit -t 81 ; scwrl3 -i /var/tmp/to_scwrl_1884432191.pdb -s /var/tmp/to_scwrl_1884432191.seq -o /var/tmp/from_scwrl_1884432191.pdb > /var/tmp/scwrl_1884432191.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1884432191.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 T0340 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FORTE1_AL5 # request to SCWRL produces command: ulimit -t 81 ; scwrl3 -i /var/tmp/to_scwrl_751244260.pdb -s /var/tmp/to_scwrl_751244260.seq -o /var/tmp/from_scwrl_751244260.pdb > /var/tmp/scwrl_751244260.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_751244260.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 T0340 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FORTE2_AL1 # request to SCWRL produces command: ulimit -t 81 ; scwrl3 -i /var/tmp/to_scwrl_515058359.pdb -s /var/tmp/to_scwrl_515058359.seq -o /var/tmp/from_scwrl_515058359.pdb > /var/tmp/scwrl_515058359.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_515058359.pdb # conformation set from SCWRL output # naming current conformation FORTE2_AL1-scwrl # ReadConformPDB reading from PDB file servers/FORTE2_AL2.pdb.gz looking for model 1 Skipped atom 211, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL2.pdb.gz # WARNING: incomplete conformation T0340 can't currently be optimized by undertaker # naming current conformation FORTE2_AL2 # request to SCWRL produces command: ulimit -t 81 ; scwrl3 -i /var/tmp/to_scwrl_1203595956.pdb -s /var/tmp/to_scwrl_1203595956.seq -o /var/tmp/from_scwrl_1203595956.pdb > /var/tmp/scwrl_1203595956.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1203595956.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 T0340 can't currently be optimized by undertaker # naming current conformation FORTE2_AL3 # request to SCWRL produces command: ulimit -t 81 ; scwrl3 -i /var/tmp/to_scwrl_169507415.pdb -s /var/tmp/to_scwrl_169507415.seq -o /var/tmp/from_scwrl_169507415.pdb > /var/tmp/scwrl_169507415.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_169507415.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 T0340 can't currently be optimized by undertaker # naming current conformation FORTE2_AL4 # request to SCWRL produces command: ulimit -t 81 ; scwrl3 -i /var/tmp/to_scwrl_1597381758.pdb -s /var/tmp/to_scwrl_1597381758.seq -o /var/tmp/from_scwrl_1597381758.pdb > /var/tmp/scwrl_1597381758.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1597381758.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 T0340 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FORTE2_AL5 # request to SCWRL produces command: ulimit -t 81 ; scwrl3 -i /var/tmp/to_scwrl_577149173.pdb -s /var/tmp/to_scwrl_577149173.seq -o /var/tmp/from_scwrl_577149173.pdb > /var/tmp/scwrl_577149173.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_577149173.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 89 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS1 # request to SCWRL produces command: ulimit -t 81 ; scwrl3 -i /var/tmp/to_scwrl_1876118185.pdb -s /var/tmp/to_scwrl_1876118185.seq -o /var/tmp/from_scwrl_1876118185.pdb > /var/tmp/scwrl_1876118185.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1876118185.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 75 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS2 # request to SCWRL produces command: ulimit -t 81 ; scwrl3 -i /var/tmp/to_scwrl_1139406167.pdb -s /var/tmp/to_scwrl_1139406167.seq -o /var/tmp/from_scwrl_1139406167.pdb > /var/tmp/scwrl_1139406167.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1139406167.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 89 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS3 # request to SCWRL produces command: ulimit -t 81 ; scwrl3 -i /var/tmp/to_scwrl_959694424.pdb -s /var/tmp/to_scwrl_959694424.seq -o /var/tmp/from_scwrl_959694424.pdb > /var/tmp/scwrl_959694424.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_959694424.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 48 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS4 # request to SCWRL produces command: ulimit -t 81 ; scwrl3 -i /var/tmp/to_scwrl_2048186851.pdb -s /var/tmp/to_scwrl_2048186851.seq -o /var/tmp/from_scwrl_2048186851.pdb > /var/tmp/scwrl_2048186851.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2048186851.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 89 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS5 # request to SCWRL produces command: ulimit -t 81 ; scwrl3 -i /var/tmp/to_scwrl_422052479.pdb -s /var/tmp/to_scwrl_422052479.seq -o /var/tmp/from_scwrl_422052479.pdb > /var/tmp/scwrl_422052479.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_422052479.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 T0340 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FUGMOD_TS1 # request to SCWRL produces command: ulimit -t 81 ; scwrl3 -i /var/tmp/to_scwrl_1363520408.pdb -s /var/tmp/to_scwrl_1363520408.seq -o /var/tmp/from_scwrl_1363520408.pdb > /var/tmp/scwrl_1363520408.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1363520408.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 T0340 can't currently be optimized by undertaker # naming current conformation FUGMOD_TS2 # request to SCWRL produces command: ulimit -t 81 ; scwrl3 -i /var/tmp/to_scwrl_1076965473.pdb -s /var/tmp/to_scwrl_1076965473.seq -o /var/tmp/from_scwrl_1076965473.pdb > /var/tmp/scwrl_1076965473.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1076965473.pdb # conformation set from SCWRL output # naming current conformation FUGMOD_TS2-scwrl # ReadConformPDB reading from PDB file servers/FUGMOD_TS3.pdb.gz looking for model 1 # naming current conformation FUGMOD_TS3 # request to SCWRL produces command: ulimit -t 81 ; scwrl3 -i /var/tmp/to_scwrl_692648456.pdb -s /var/tmp/to_scwrl_692648456.seq -o /var/tmp/from_scwrl_692648456.pdb > /var/tmp/scwrl_692648456.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_692648456.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 26 # copying to AlignedFragments data structure # naming current conformation FUGMOD_TS4 # request to SCWRL produces command: ulimit -t 81 ; scwrl3 -i /var/tmp/to_scwrl_1479757163.pdb -s /var/tmp/to_scwrl_1479757163.seq -o /var/tmp/from_scwrl_1479757163.pdb > /var/tmp/scwrl_1479757163.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1479757163.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 T0340 can't currently be optimized by undertaker # naming current conformation FUGMOD_TS5 # request to SCWRL produces command: ulimit -t 81 ; scwrl3 -i /var/tmp/to_scwrl_196772494.pdb -s /var/tmp/to_scwrl_196772494.seq -o /var/tmp/from_scwrl_196772494.pdb > /var/tmp/scwrl_196772494.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_196772494.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 T0340 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FUGUE_AL1 # request to SCWRL produces command: ulimit -t 81 ; scwrl3 -i /var/tmp/to_scwrl_435199454.pdb -s /var/tmp/to_scwrl_435199454.seq -o /var/tmp/from_scwrl_435199454.pdb > /var/tmp/scwrl_435199454.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_435199454.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 Skipped atom 211, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL2.pdb.gz # WARNING: incomplete conformation T0340 can't currently be optimized by undertaker # naming current conformation FUGUE_AL2 # request to SCWRL produces command: ulimit -t 81 ; scwrl3 -i /var/tmp/to_scwrl_1327962100.pdb -s /var/tmp/to_scwrl_1327962100.seq -o /var/tmp/from_scwrl_1327962100.pdb > /var/tmp/scwrl_1327962100.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1327962100.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 T0340 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FUGUE_AL3 # request to SCWRL produces command: ulimit -t 81 ; scwrl3 -i /var/tmp/to_scwrl_1404446496.pdb -s /var/tmp/to_scwrl_1404446496.seq -o /var/tmp/from_scwrl_1404446496.pdb > /var/tmp/scwrl_1404446496.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1404446496.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 T0340 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FUGUE_AL4 # request to SCWRL produces command: ulimit -t 81 ; scwrl3 -i /var/tmp/to_scwrl_741134626.pdb -s /var/tmp/to_scwrl_741134626.seq -o /var/tmp/from_scwrl_741134626.pdb > /var/tmp/scwrl_741134626.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_741134626.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 T0340 can't currently be optimized by undertaker # naming current conformation FUGUE_AL5 # request to SCWRL produces command: ulimit -t 81 ; scwrl3 -i /var/tmp/to_scwrl_403833403.pdb -s /var/tmp/to_scwrl_403833403.seq -o /var/tmp/from_scwrl_403833403.pdb > /var/tmp/scwrl_403833403.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_403833403.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 88 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS1 # request to SCWRL produces command: ulimit -t 81 ; scwrl3 -i /var/tmp/to_scwrl_1322754671.pdb -s /var/tmp/to_scwrl_1322754671.seq -o /var/tmp/from_scwrl_1322754671.pdb > /var/tmp/scwrl_1322754671.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1322754671.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 89 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS2 # request to SCWRL produces command: ulimit -t 81 ; scwrl3 -i /var/tmp/to_scwrl_920791724.pdb -s /var/tmp/to_scwrl_920791724.seq -o /var/tmp/from_scwrl_920791724.pdb > /var/tmp/scwrl_920791724.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_920791724.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 87 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS3 # request to SCWRL produces command: ulimit -t 81 ; scwrl3 -i /var/tmp/to_scwrl_115052657.pdb -s /var/tmp/to_scwrl_115052657.seq -o /var/tmp/from_scwrl_115052657.pdb > /var/tmp/scwrl_115052657.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_115052657.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 84 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS4 # request to SCWRL produces command: ulimit -t 81 ; scwrl3 -i /var/tmp/to_scwrl_2134535598.pdb -s /var/tmp/to_scwrl_2134535598.seq -o /var/tmp/from_scwrl_2134535598.pdb > /var/tmp/scwrl_2134535598.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2134535598.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 85 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS5 # request to SCWRL produces command: ulimit -t 81 ; scwrl3 -i /var/tmp/to_scwrl_1708869163.pdb -s /var/tmp/to_scwrl_1708869163.seq -o /var/tmp/from_scwrl_1708869163.pdb > /var/tmp/scwrl_1708869163.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1708869163.pdb # conformation set from SCWRL output # naming current conformation FUNCTION_TS5-scwrl # ReadConformPDB reading from PDB file servers/GeneSilicoMetaServer_TS1.pdb.gz looking for model 1 # Found a chain break before 59 # copying to AlignedFragments data structure # naming current conformation GeneSilicoMetaServer_TS1 # request to SCWRL produces command: ulimit -t 81 ; scwrl3 -i /var/tmp/to_scwrl_611494315.pdb -s /var/tmp/to_scwrl_611494315.seq -o /var/tmp/from_scwrl_611494315.pdb > /var/tmp/scwrl_611494315.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_611494315.pdb # conformation set from SCWRL output # naming current conformation GeneSilicoMetaServer_TS1-scwrl # ReadConformPDB reading from PDB file servers/GeneSilicoMetaServer_TS2.pdb.gz looking for model 1 # Found a chain break before 59 # copying to AlignedFragments data structure # naming current conformation GeneSilicoMetaServer_TS2 # request to SCWRL produces command: ulimit -t 81 ; scwrl3 -i /var/tmp/to_scwrl_1947476574.pdb -s /var/tmp/to_scwrl_1947476574.seq -o /var/tmp/from_scwrl_1947476574.pdb > /var/tmp/scwrl_1947476574.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1947476574.pdb # conformation set from SCWRL output # naming current conformation GeneSilicoMetaServer_TS2-scwrl # ReadConformPDB reading from PDB file servers/GeneSilicoMetaServer_TS3.pdb.gz looking for model 1 # Found a chain break before 61 # copying to AlignedFragments data structure # naming current conformation GeneSilicoMetaServer_TS3 # request to SCWRL produces command: ulimit -t 81 ; scwrl3 -i /var/tmp/to_scwrl_611292062.pdb -s /var/tmp/to_scwrl_611292062.seq -o /var/tmp/from_scwrl_611292062.pdb > /var/tmp/scwrl_611292062.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_611292062.pdb # conformation set from SCWRL output # naming current conformation GeneSilicoMetaServer_TS3-scwrl # ReadConformPDB reading from PDB file servers/GeneSilicoMetaServer_TS4.pdb.gz looking for model 1 # Found a chain break before 26 # copying to AlignedFragments data structure # naming current conformation GeneSilicoMetaServer_TS4 # request to SCWRL produces command: ulimit -t 81 ; scwrl3 -i /var/tmp/to_scwrl_1319633816.pdb -s /var/tmp/to_scwrl_1319633816.seq -o /var/tmp/from_scwrl_1319633816.pdb > /var/tmp/scwrl_1319633816.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1319633816.pdb # conformation set from SCWRL output # naming current conformation GeneSilicoMetaServer_TS4-scwrl # ReadConformPDB reading from PDB file servers/GeneSilicoMetaServer_TS5.pdb.gz looking for model 1 # Found a chain break before 11 # copying to AlignedFragments data structure # naming current conformation GeneSilicoMetaServer_TS5 # request to SCWRL produces command: ulimit -t 81 ; scwrl3 -i /var/tmp/to_scwrl_1684425119.pdb -s /var/tmp/to_scwrl_1684425119.seq -o /var/tmp/from_scwrl_1684425119.pdb > /var/tmp/scwrl_1684425119.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1684425119.pdb # conformation set from SCWRL output # naming current conformation GeneSilicoMetaServer_TS5-scwrl # ReadConformPDB reading from PDB file servers/HHpred1_TS1.pdb.gz looking for model 1 # naming current conformation HHpred1_TS1 # request to SCWRL produces command: ulimit -t 81 ; scwrl3 -i /var/tmp/to_scwrl_1362536321.pdb -s /var/tmp/to_scwrl_1362536321.seq -o /var/tmp/from_scwrl_1362536321.pdb > /var/tmp/scwrl_1362536321.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1362536321.pdb # conformation set from SCWRL output # naming current conformation HHpred1_TS1-scwrl # ReadConformPDB reading from PDB file servers/HHpred2_TS1.pdb.gz looking for model 1 # Found a chain break before 26 # copying to AlignedFragments data structure # naming current conformation HHpred2_TS1 # request to SCWRL produces command: ulimit -t 81 ; scwrl3 -i /var/tmp/to_scwrl_1834692175.pdb -s /var/tmp/to_scwrl_1834692175.seq -o /var/tmp/from_scwrl_1834692175.pdb > /var/tmp/scwrl_1834692175.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1834692175.pdb # conformation set from SCWRL output # naming current conformation HHpred2_TS1-scwrl # ReadConformPDB reading from PDB file servers/HHpred3_TS1.pdb.gz looking for model 1 # Found a chain break before 59 # copying to AlignedFragments data structure # naming current conformation HHpred3_TS1 # request to SCWRL produces command: ulimit -t 81 ; scwrl3 -i /var/tmp/to_scwrl_740537429.pdb -s /var/tmp/to_scwrl_740537429.seq -o /var/tmp/from_scwrl_740537429.pdb > /var/tmp/scwrl_740537429.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_740537429.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 T0340 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation Huber-Torda-Server_TS1 # request to SCWRL produces command: ulimit -t 81 ; scwrl3 -i /var/tmp/to_scwrl_1532043737.pdb -s /var/tmp/to_scwrl_1532043737.seq -o /var/tmp/from_scwrl_1532043737.pdb > /var/tmp/scwrl_1532043737.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1532043737.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 T0340 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 81 ; scwrl3 -i /var/tmp/to_scwrl_1284590287.pdb -s /var/tmp/to_scwrl_1284590287.seq -o /var/tmp/from_scwrl_1284590287.pdb > /var/tmp/scwrl_1284590287.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1284590287.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 T0340 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation Huber-Torda-Server_TS3 # request to SCWRL produces command: ulimit -t 81 ; scwrl3 -i /var/tmp/to_scwrl_1317686602.pdb -s /var/tmp/to_scwrl_1317686602.seq -o /var/tmp/from_scwrl_1317686602.pdb > /var/tmp/scwrl_1317686602.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1317686602.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 T0340 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation Huber-Torda-Server_TS4 # request to SCWRL produces command: ulimit -t 81 ; scwrl3 -i /var/tmp/to_scwrl_1260678275.pdb -s /var/tmp/to_scwrl_1260678275.seq -o /var/tmp/from_scwrl_1260678275.pdb > /var/tmp/scwrl_1260678275.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1260678275.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 T0340 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation Huber-Torda-Server_TS5 # request to SCWRL produces command: ulimit -t 81 ; scwrl3 -i /var/tmp/to_scwrl_276512808.pdb -s /var/tmp/to_scwrl_276512808.seq -o /var/tmp/from_scwrl_276512808.pdb > /var/tmp/scwrl_276512808.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_276512808.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 T0340 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation LOOPP_TS1 # request to SCWRL produces command: ulimit -t 81 ; scwrl3 -i /var/tmp/to_scwrl_129897379.pdb -s /var/tmp/to_scwrl_129897379.seq -o /var/tmp/from_scwrl_129897379.pdb > /var/tmp/scwrl_129897379.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_129897379.pdb # conformation set from SCWRL output # naming current conformation LOOPP_TS1-scwrl # ReadConformPDB reading from PDB file servers/LOOPP_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0340 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation LOOPP_TS2 # request to SCWRL produces command: ulimit -t 81 ; scwrl3 -i /var/tmp/to_scwrl_1161381479.pdb -s /var/tmp/to_scwrl_1161381479.seq -o /var/tmp/from_scwrl_1161381479.pdb > /var/tmp/scwrl_1161381479.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1161381479.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 T0340 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation LOOPP_TS3 # request to SCWRL produces command: ulimit -t 81 ; scwrl3 -i /var/tmp/to_scwrl_698565287.pdb -s /var/tmp/to_scwrl_698565287.seq -o /var/tmp/from_scwrl_698565287.pdb > /var/tmp/scwrl_698565287.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_698565287.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 T0340 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation LOOPP_TS4 # request to SCWRL produces command: ulimit -t 81 ; scwrl3 -i /var/tmp/to_scwrl_1493417787.pdb -s /var/tmp/to_scwrl_1493417787.seq -o /var/tmp/from_scwrl_1493417787.pdb > /var/tmp/scwrl_1493417787.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1493417787.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 # Found a chain break before 77 # copying to AlignedFragments data structure # naming current conformation LOOPP_TS5 # request to SCWRL produces command: ulimit -t 81 ; scwrl3 -i /var/tmp/to_scwrl_90863306.pdb -s /var/tmp/to_scwrl_90863306.seq -o /var/tmp/from_scwrl_90863306.pdb > /var/tmp/scwrl_90863306.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_90863306.pdb # conformation set from SCWRL output # naming current conformation LOOPP_TS5-scwrl # ReadConformPDB reading from PDB file servers/MIG_FROST_AL1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0340 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation MIG_FROST_AL1 # request to SCWRL produces command: ulimit -t 81 ; scwrl3 -i /var/tmp/to_scwrl_1391213742.pdb -s /var/tmp/to_scwrl_1391213742.seq -o /var/tmp/from_scwrl_1391213742.pdb > /var/tmp/scwrl_1391213742.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1391213742.pdb # conformation set from SCWRL output # naming current conformation MIG_FROST_AL1-scwrl # ReadConformPDB reading from PDB file servers/Ma-OPUS-server2_TS1.pdb.gz looking for model 1 # Found a chain break before 59 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server2_TS1 # request to SCWRL produces command: ulimit -t 81 ; scwrl3 -i /var/tmp/to_scwrl_825691304.pdb -s /var/tmp/to_scwrl_825691304.seq -o /var/tmp/from_scwrl_825691304.pdb > /var/tmp/scwrl_825691304.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_825691304.pdb # conformation set from SCWRL output # naming current conformation Ma-OPUS-server2_TS1-scwrl # ReadConformPDB reading from PDB file servers/Ma-OPUS-server2_TS2.pdb.gz looking for model 1 # naming current conformation Ma-OPUS-server2_TS2 # request to SCWRL produces command: ulimit -t 81 ; scwrl3 -i /var/tmp/to_scwrl_287635800.pdb -s /var/tmp/to_scwrl_287635800.seq -o /var/tmp/from_scwrl_287635800.pdb > /var/tmp/scwrl_287635800.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_287635800.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 81 ; scwrl3 -i /var/tmp/to_scwrl_1826413196.pdb -s /var/tmp/to_scwrl_1826413196.seq -o /var/tmp/from_scwrl_1826413196.pdb > /var/tmp/scwrl_1826413196.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1826413196.pdb # conformation set from SCWRL output # naming current conformation Ma-OPUS-server2_TS3-scwrl # ReadConformPDB reading from PDB file servers/Ma-OPUS-server2_TS4.pdb.gz looking for model 1 # naming current conformation Ma-OPUS-server2_TS4 # request to SCWRL produces command: ulimit -t 81 ; scwrl3 -i /var/tmp/to_scwrl_6169757.pdb -s /var/tmp/to_scwrl_6169757.seq -o /var/tmp/from_scwrl_6169757.pdb > /var/tmp/scwrl_6169757.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_6169757.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 38 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server2_TS5 # request to SCWRL produces command: ulimit -t 81 ; scwrl3 -i /var/tmp/to_scwrl_1692082297.pdb -s /var/tmp/to_scwrl_1692082297.seq -o /var/tmp/from_scwrl_1692082297.pdb > /var/tmp/scwrl_1692082297.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1692082297.pdb # conformation set from SCWRL output # naming current conformation Ma-OPUS-server2_TS5-scwrl # ReadConformPDB reading from PDB file servers/Ma-OPUS-server_TS1.pdb.gz looking for model 1 # Found a chain break before 59 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS1 # request to SCWRL produces command: ulimit -t 81 ; scwrl3 -i /var/tmp/to_scwrl_420064175.pdb -s /var/tmp/to_scwrl_420064175.seq -o /var/tmp/from_scwrl_420064175.pdb > /var/tmp/scwrl_420064175.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_420064175.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 59 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS2 # request to SCWRL produces command: ulimit -t 81 ; scwrl3 -i /var/tmp/to_scwrl_410003161.pdb -s /var/tmp/to_scwrl_410003161.seq -o /var/tmp/from_scwrl_410003161.pdb > /var/tmp/scwrl_410003161.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_410003161.pdb # conformation set from SCWRL output # naming current conformation Ma-OPUS-server_TS2-scwrl # ReadConformPDB reading from PDB file servers/Ma-OPUS-server_TS3.pdb.gz looking for model 1 # Found a chain break before 89 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS3 # request to SCWRL produces command: ulimit -t 81 ; scwrl3 -i /var/tmp/to_scwrl_867353322.pdb -s /var/tmp/to_scwrl_867353322.seq -o /var/tmp/from_scwrl_867353322.pdb > /var/tmp/scwrl_867353322.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_867353322.pdb # conformation set from SCWRL output # naming current conformation Ma-OPUS-server_TS3-scwrl # ReadConformPDB reading from PDB file servers/Ma-OPUS-server_TS4.pdb.gz looking for model 1 # naming current conformation Ma-OPUS-server_TS4 # request to SCWRL produces command: ulimit -t 81 ; scwrl3 -i /var/tmp/to_scwrl_1340855898.pdb -s /var/tmp/to_scwrl_1340855898.seq -o /var/tmp/from_scwrl_1340855898.pdb > /var/tmp/scwrl_1340855898.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1340855898.pdb # conformation set from SCWRL output # naming current conformation Ma-OPUS-server_TS4-scwrl # ReadConformPDB reading from PDB file servers/Ma-OPUS-server_TS5.pdb.gz looking for model 1 # naming current conformation Ma-OPUS-server_TS5 # request to SCWRL produces command: ulimit -t 81 ; scwrl3 -i /var/tmp/to_scwrl_525055818.pdb -s /var/tmp/to_scwrl_525055818.seq -o /var/tmp/from_scwrl_525055818.pdb > /var/tmp/scwrl_525055818.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_525055818.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 89 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS1 # request to SCWRL produces command: ulimit -t 81 ; scwrl3 -i /var/tmp/to_scwrl_854405273.pdb -s /var/tmp/to_scwrl_854405273.seq -o /var/tmp/from_scwrl_854405273.pdb > /var/tmp/scwrl_854405273.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_854405273.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 89 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS2 # request to SCWRL produces command: ulimit -t 81 ; scwrl3 -i /var/tmp/to_scwrl_902241415.pdb -s /var/tmp/to_scwrl_902241415.seq -o /var/tmp/from_scwrl_902241415.pdb > /var/tmp/scwrl_902241415.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_902241415.pdb # conformation set from SCWRL output # naming current conformation MetaTasser_TS2-scwrl # ReadConformPDB reading from PDB file servers/MetaTasser_TS3.pdb.gz looking for model 1 # Found a chain break before 89 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS3 # request to SCWRL produces command: ulimit -t 81 ; scwrl3 -i /var/tmp/to_scwrl_1136550132.pdb -s /var/tmp/to_scwrl_1136550132.seq -o /var/tmp/from_scwrl_1136550132.pdb > /var/tmp/scwrl_1136550132.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1136550132.pdb # conformation set from SCWRL output # naming current conformation MetaTasser_TS3-scwrl # ReadConformPDB reading from PDB file servers/MetaTasser_TS4.pdb.gz looking for model 1 # Found a chain break before 89 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS4 # request to SCWRL produces command: ulimit -t 81 ; scwrl3 -i /var/tmp/to_scwrl_654398201.pdb -s /var/tmp/to_scwrl_654398201.seq -o /var/tmp/from_scwrl_654398201.pdb > /var/tmp/scwrl_654398201.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_654398201.pdb # conformation set from SCWRL output # naming current conformation MetaTasser_TS4-scwrl # ReadConformPDB reading from PDB file servers/MetaTasser_TS5.pdb.gz looking for model 1 # Found a chain break before 89 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS5 # request to SCWRL produces command: ulimit -t 81 ; scwrl3 -i /var/tmp/to_scwrl_1513533477.pdb -s /var/tmp/to_scwrl_1513533477.seq -o /var/tmp/from_scwrl_1513533477.pdb > /var/tmp/scwrl_1513533477.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1513533477.pdb # conformation set from SCWRL output # naming current conformation MetaTasser_TS5-scwrl # ReadConformPDB reading from PDB file servers/NN_PUT_lab_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0340 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation NN_PUT_lab_TS1 # request to SCWRL produces command: ulimit -t 81 ; scwrl3 -i /var/tmp/to_scwrl_308700303.pdb -s /var/tmp/to_scwrl_308700303.seq -o /var/tmp/from_scwrl_308700303.pdb > /var/tmp/scwrl_308700303.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_308700303.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 81 ; scwrl3 -i /var/tmp/to_scwrl_191339673.pdb -s /var/tmp/to_scwrl_191339673.seq -o /var/tmp/from_scwrl_191339673.pdb > /var/tmp/scwrl_191339673.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_191339673.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 81 ; scwrl3 -i /var/tmp/to_scwrl_728586152.pdb -s /var/tmp/to_scwrl_728586152.seq -o /var/tmp/from_scwrl_728586152.pdb > /var/tmp/scwrl_728586152.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_728586152.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 81 ; scwrl3 -i /var/tmp/to_scwrl_2143392478.pdb -s /var/tmp/to_scwrl_2143392478.seq -o /var/tmp/from_scwrl_2143392478.pdb > /var/tmp/scwrl_2143392478.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2143392478.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 81 ; scwrl3 -i /var/tmp/to_scwrl_931877102.pdb -s /var/tmp/to_scwrl_931877102.seq -o /var/tmp/from_scwrl_931877102.pdb > /var/tmp/scwrl_931877102.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_931877102.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 81 ; scwrl3 -i /var/tmp/to_scwrl_113146242.pdb -s /var/tmp/to_scwrl_113146242.seq -o /var/tmp/from_scwrl_113146242.pdb > /var/tmp/scwrl_113146242.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_113146242.pdb # conformation set from SCWRL output # naming current conformation PROTINFO-AB_TS5-scwrl # ReadConformPDB reading from PDB file servers/PROTINFO_TS1.pdb.gz looking for model 1 # Found a chain break before 75 # copying to AlignedFragments data structure # naming current conformation PROTINFO_TS1 # request to SCWRL produces command: ulimit -t 81 ; scwrl3 -i /var/tmp/to_scwrl_1280499118.pdb -s /var/tmp/to_scwrl_1280499118.seq -o /var/tmp/from_scwrl_1280499118.pdb > /var/tmp/scwrl_1280499118.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1280499118.pdb # conformation set from SCWRL output # naming current conformation PROTINFO_TS1-scwrl # ReadConformPDB reading from PDB file servers/PROTINFO_TS2.pdb.gz looking for model 1 # naming current conformation PROTINFO_TS2 # request to SCWRL produces command: ulimit -t 81 ; scwrl3 -i /var/tmp/to_scwrl_102080057.pdb -s /var/tmp/to_scwrl_102080057.seq -o /var/tmp/from_scwrl_102080057.pdb > /var/tmp/scwrl_102080057.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_102080057.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 25 # copying to AlignedFragments data structure # naming current conformation PROTINFO_TS3 # request to SCWRL produces command: ulimit -t 81 ; scwrl3 -i /var/tmp/to_scwrl_1373824517.pdb -s /var/tmp/to_scwrl_1373824517.seq -o /var/tmp/from_scwrl_1373824517.pdb > /var/tmp/scwrl_1373824517.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1373824517.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 # naming current conformation PROTINFO_TS4 # request to SCWRL produces command: ulimit -t 81 ; scwrl3 -i /var/tmp/to_scwrl_1557011927.pdb -s /var/tmp/to_scwrl_1557011927.seq -o /var/tmp/from_scwrl_1557011927.pdb > /var/tmp/scwrl_1557011927.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1557011927.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 81 ; scwrl3 -i /var/tmp/to_scwrl_231977436.pdb -s /var/tmp/to_scwrl_231977436.seq -o /var/tmp/from_scwrl_231977436.pdb > /var/tmp/scwrl_231977436.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_231977436.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 T0340 can't currently be optimized by undertaker # naming current conformation Pcons6_TS1 # request to SCWRL produces command: ulimit -t 81 ; scwrl3 -i /var/tmp/to_scwrl_387722350.pdb -s /var/tmp/to_scwrl_387722350.seq -o /var/tmp/from_scwrl_387722350.pdb > /var/tmp/scwrl_387722350.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_387722350.pdb # conformation set from SCWRL output # naming current conformation Pcons6_TS1-scwrl # ReadConformPDB reading from PDB file servers/Pcons6_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0340 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation Pcons6_TS2 # request to SCWRL produces command: ulimit -t 81 ; scwrl3 -i /var/tmp/to_scwrl_108093567.pdb -s /var/tmp/to_scwrl_108093567.seq -o /var/tmp/from_scwrl_108093567.pdb > /var/tmp/scwrl_108093567.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_108093567.pdb # conformation set from SCWRL output # naming current conformation Pcons6_TS2-scwrl # ReadConformPDB reading from PDB file servers/Pcons6_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0340 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation Pcons6_TS3 # request to SCWRL produces command: ulimit -t 81 ; scwrl3 -i /var/tmp/to_scwrl_1725395224.pdb -s /var/tmp/to_scwrl_1725395224.seq -o /var/tmp/from_scwrl_1725395224.pdb > /var/tmp/scwrl_1725395224.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1725395224.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 T0340 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation Pcons6_TS4 # request to SCWRL produces command: ulimit -t 81 ; scwrl3 -i /var/tmp/to_scwrl_478585657.pdb -s /var/tmp/to_scwrl_478585657.seq -o /var/tmp/from_scwrl_478585657.pdb > /var/tmp/scwrl_478585657.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_478585657.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 T0340 can't currently be optimized by undertaker # naming current conformation Pcons6_TS5 # request to SCWRL produces command: ulimit -t 81 ; scwrl3 -i /var/tmp/to_scwrl_1499307310.pdb -s /var/tmp/to_scwrl_1499307310.seq -o /var/tmp/from_scwrl_1499307310.pdb > /var/tmp/scwrl_1499307310.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1499307310.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 T0340 can't currently be optimized by undertaker # naming current conformation Phyre-1_TS1 # request to SCWRL produces command: ulimit -t 81 ; scwrl3 -i /var/tmp/to_scwrl_403602881.pdb -s /var/tmp/to_scwrl_403602881.seq -o /var/tmp/from_scwrl_403602881.pdb > /var/tmp/scwrl_403602881.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_403602881.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 T0340 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 81 ; scwrl3 -i /var/tmp/to_scwrl_766221457.pdb -s /var/tmp/to_scwrl_766221457.seq -o /var/tmp/from_scwrl_766221457.pdb > /var/tmp/scwrl_766221457.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_766221457.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 T0340 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 81 ; scwrl3 -i /var/tmp/to_scwrl_1178236859.pdb -s /var/tmp/to_scwrl_1178236859.seq -o /var/tmp/from_scwrl_1178236859.pdb > /var/tmp/scwrl_1178236859.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1178236859.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 T0340 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 81 ; scwrl3 -i /var/tmp/to_scwrl_409772639.pdb -s /var/tmp/to_scwrl_409772639.seq -o /var/tmp/from_scwrl_409772639.pdb > /var/tmp/scwrl_409772639.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_409772639.pdb # conformation set from SCWRL output # naming current conformation Phyre-2_TS3-scwrl # ReadConformPDB reading from PDB file servers/Phyre-2_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0340 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 81 ; scwrl3 -i /var/tmp/to_scwrl_310820107.pdb -s /var/tmp/to_scwrl_310820107.seq -o /var/tmp/from_scwrl_310820107.pdb > /var/tmp/scwrl_310820107.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_310820107.pdb # conformation set from SCWRL output # naming current conformation Phyre-2_TS5-scwrl # ReadConformPDB reading from PDB file servers/Pmodeller6_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0340 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation Pmodeller6_TS1 # request to SCWRL produces command: ulimit -t 81 ; scwrl3 -i /var/tmp/to_scwrl_1598301035.pdb -s /var/tmp/to_scwrl_1598301035.seq -o /var/tmp/from_scwrl_1598301035.pdb > /var/tmp/scwrl_1598301035.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1598301035.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 T0340 can't currently be optimized by undertaker # naming current conformation Pmodeller6_TS2 # request to SCWRL produces command: ulimit -t 81 ; scwrl3 -i /var/tmp/to_scwrl_819775800.pdb -s /var/tmp/to_scwrl_819775800.seq -o /var/tmp/from_scwrl_819775800.pdb > /var/tmp/scwrl_819775800.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_819775800.pdb # conformation set from SCWRL output # naming current conformation Pmodeller6_TS2-scwrl # ReadConformPDB reading from PDB file servers/Pmodeller6_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0340 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation Pmodeller6_TS3 # request to SCWRL produces command: ulimit -t 81 ; scwrl3 -i /var/tmp/to_scwrl_1178173429.pdb -s /var/tmp/to_scwrl_1178173429.seq -o /var/tmp/from_scwrl_1178173429.pdb > /var/tmp/scwrl_1178173429.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1178173429.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 # naming current conformation Pmodeller6_TS4 # request to SCWRL produces command: ulimit -t 81 ; scwrl3 -i /var/tmp/to_scwrl_791673287.pdb -s /var/tmp/to_scwrl_791673287.seq -o /var/tmp/from_scwrl_791673287.pdb > /var/tmp/scwrl_791673287.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_791673287.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 25 # copying to AlignedFragments data structure # naming current conformation Pmodeller6_TS5 # request to SCWRL produces command: ulimit -t 81 ; scwrl3 -i /var/tmp/to_scwrl_1344831617.pdb -s /var/tmp/to_scwrl_1344831617.seq -o /var/tmp/from_scwrl_1344831617.pdb > /var/tmp/scwrl_1344831617.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1344831617.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 59 # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS1 # request to SCWRL produces command: ulimit -t 81 ; scwrl3 -i /var/tmp/to_scwrl_2032578702.pdb -s /var/tmp/to_scwrl_2032578702.seq -o /var/tmp/from_scwrl_2032578702.pdb > /var/tmp/scwrl_2032578702.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2032578702.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 59 # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS2 # request to SCWRL produces command: ulimit -t 81 ; scwrl3 -i /var/tmp/to_scwrl_1693914702.pdb -s /var/tmp/to_scwrl_1693914702.seq -o /var/tmp/from_scwrl_1693914702.pdb > /var/tmp/scwrl_1693914702.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1693914702.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 59 # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS3 # request to SCWRL produces command: ulimit -t 81 ; scwrl3 -i /var/tmp/to_scwrl_333898104.pdb -s /var/tmp/to_scwrl_333898104.seq -o /var/tmp/from_scwrl_333898104.pdb > /var/tmp/scwrl_333898104.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_333898104.pdb # conformation set from SCWRL output # naming current conformation RAPTOR-ACE_TS3-scwrl # ReadConformPDB reading from PDB file servers/RAPTOR-ACE_TS4.pdb.gz looking for model 1 # naming current conformation RAPTOR-ACE_TS4 # request to SCWRL produces command: ulimit -t 81 ; scwrl3 -i /var/tmp/to_scwrl_539493256.pdb -s /var/tmp/to_scwrl_539493256.seq -o /var/tmp/from_scwrl_539493256.pdb > /var/tmp/scwrl_539493256.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_539493256.pdb # conformation set from SCWRL output # naming current conformation RAPTOR-ACE_TS4-scwrl # ReadConformPDB reading from PDB file servers/RAPTOR-ACE_TS5.pdb.gz looking for model 1 # naming current conformation RAPTOR-ACE_TS5 # request to SCWRL produces command: ulimit -t 81 ; scwrl3 -i /var/tmp/to_scwrl_1059964533.pdb -s /var/tmp/to_scwrl_1059964533.seq -o /var/tmp/from_scwrl_1059964533.pdb > /var/tmp/scwrl_1059964533.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1059964533.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 4 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS1 # request to SCWRL produces command: ulimit -t 81 ; scwrl3 -i /var/tmp/to_scwrl_642598407.pdb -s /var/tmp/to_scwrl_642598407.seq -o /var/tmp/from_scwrl_642598407.pdb > /var/tmp/scwrl_642598407.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_642598407.pdb # conformation set from SCWRL output # naming current conformation RAPTORESS_TS1-scwrl # ReadConformPDB reading from PDB file servers/RAPTORESS_TS2.pdb.gz looking for model 1 # naming current conformation RAPTORESS_TS2 # request to SCWRL produces command: ulimit -t 81 ; scwrl3 -i /var/tmp/to_scwrl_730832929.pdb -s /var/tmp/to_scwrl_730832929.seq -o /var/tmp/from_scwrl_730832929.pdb > /var/tmp/scwrl_730832929.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_730832929.pdb # conformation set from SCWRL output # naming current conformation RAPTORESS_TS2-scwrl # ReadConformPDB reading from PDB file servers/RAPTORESS_TS3.pdb.gz looking for model 1 # Found a chain break before 82 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS3 # request to SCWRL produces command: ulimit -t 81 ; scwrl3 -i /var/tmp/to_scwrl_1788550684.pdb -s /var/tmp/to_scwrl_1788550684.seq -o /var/tmp/from_scwrl_1788550684.pdb > /var/tmp/scwrl_1788550684.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1788550684.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 58 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS4 # request to SCWRL produces command: ulimit -t 81 ; scwrl3 -i /var/tmp/to_scwrl_638507238.pdb -s /var/tmp/to_scwrl_638507238.seq -o /var/tmp/from_scwrl_638507238.pdb > /var/tmp/scwrl_638507238.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_638507238.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 89 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS5 # request to SCWRL produces command: ulimit -t 81 ; scwrl3 -i /var/tmp/to_scwrl_1662710031.pdb -s /var/tmp/to_scwrl_1662710031.seq -o /var/tmp/from_scwrl_1662710031.pdb > /var/tmp/scwrl_1662710031.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1662710031.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 84 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS1 # request to SCWRL produces command: ulimit -t 81 ; scwrl3 -i /var/tmp/to_scwrl_1901696927.pdb -s /var/tmp/to_scwrl_1901696927.seq -o /var/tmp/from_scwrl_1901696927.pdb > /var/tmp/scwrl_1901696927.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1901696927.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 81 ; scwrl3 -i /var/tmp/to_scwrl_1919006357.pdb -s /var/tmp/to_scwrl_1919006357.seq -o /var/tmp/from_scwrl_1919006357.pdb > /var/tmp/scwrl_1919006357.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1919006357.pdb # conformation set from SCWRL output # naming current conformation RAPTOR_TS2-scwrl # ReadConformPDB reading from PDB file servers/RAPTOR_TS3.pdb.gz looking for model 1 # Found a chain break before 86 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS3 # request to SCWRL produces command: ulimit -t 81 ; scwrl3 -i /var/tmp/to_scwrl_1764790088.pdb -s /var/tmp/to_scwrl_1764790088.seq -o /var/tmp/from_scwrl_1764790088.pdb > /var/tmp/scwrl_1764790088.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1764790088.pdb # conformation set from SCWRL output # naming current conformation RAPTOR_TS3-scwrl # ReadConformPDB reading from PDB file servers/RAPTOR_TS4.pdb.gz looking for model 1 # naming current conformation RAPTOR_TS4 # request to SCWRL produces command: ulimit -t 81 ; scwrl3 -i /var/tmp/to_scwrl_1128037797.pdb -s /var/tmp/to_scwrl_1128037797.seq -o /var/tmp/from_scwrl_1128037797.pdb > /var/tmp/scwrl_1128037797.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1128037797.pdb # conformation set from SCWRL output # naming current conformation RAPTOR_TS4-scwrl # ReadConformPDB reading from PDB file servers/RAPTOR_TS5.pdb.gz looking for model 1 # naming current conformation RAPTOR_TS5 # request to SCWRL produces command: ulimit -t 81 ; scwrl3 -i /var/tmp/to_scwrl_1328534637.pdb -s /var/tmp/to_scwrl_1328534637.seq -o /var/tmp/from_scwrl_1328534637.pdb > /var/tmp/scwrl_1328534637.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1328534637.pdb # conformation set from SCWRL output # naming current conformation RAPTOR_TS5-scwrl # ReadConformPDB reading from PDB file servers/ROBETTA_TS1.pdb.gz looking for model 1 # naming current conformation ROBETTA_TS1 # request to SCWRL produces command: ulimit -t 81 ; scwrl3 -i /var/tmp/to_scwrl_1996767525.pdb -s /var/tmp/to_scwrl_1996767525.seq -o /var/tmp/from_scwrl_1996767525.pdb > /var/tmp/scwrl_1996767525.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1996767525.pdb # conformation set from SCWRL output # naming current conformation ROBETTA_TS1-scwrl # ReadConformPDB reading from PDB file servers/ROBETTA_TS2.pdb.gz looking for model 1 # naming current conformation ROBETTA_TS2 # request to SCWRL produces command: ulimit -t 81 ; scwrl3 -i /var/tmp/to_scwrl_1515760148.pdb -s /var/tmp/to_scwrl_1515760148.seq -o /var/tmp/from_scwrl_1515760148.pdb > /var/tmp/scwrl_1515760148.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1515760148.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 22 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS3 # request to SCWRL produces command: ulimit -t 81 ; scwrl3 -i /var/tmp/to_scwrl_1436628204.pdb -s /var/tmp/to_scwrl_1436628204.seq -o /var/tmp/from_scwrl_1436628204.pdb > /var/tmp/scwrl_1436628204.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1436628204.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 81 ; scwrl3 -i /var/tmp/to_scwrl_1574679102.pdb -s /var/tmp/to_scwrl_1574679102.seq -o /var/tmp/from_scwrl_1574679102.pdb > /var/tmp/scwrl_1574679102.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1574679102.pdb # conformation set from SCWRL output # naming current conformation ROBETTA_TS4-scwrl # ReadConformPDB reading from PDB file servers/ROBETTA_TS5.pdb.gz looking for model 1 # naming current conformation ROBETTA_TS5 # request to SCWRL produces command: ulimit -t 81 ; scwrl3 -i /var/tmp/to_scwrl_1994345805.pdb -s /var/tmp/to_scwrl_1994345805.seq -o /var/tmp/from_scwrl_1994345805.pdb > /var/tmp/scwrl_1994345805.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1994345805.pdb # conformation set from SCWRL output # naming current conformation ROBETTA_TS5-scwrl # ReadConformPDB reading from PDB file servers/ROKKY_TS1.pdb.gz looking for model 1 # Found a chain break before 49 # copying to AlignedFragments data structure # naming current conformation ROKKY_TS1 # request to SCWRL produces command: ulimit -t 81 ; scwrl3 -i /var/tmp/to_scwrl_788451868.pdb -s /var/tmp/to_scwrl_788451868.seq -o /var/tmp/from_scwrl_788451868.pdb > /var/tmp/scwrl_788451868.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_788451868.pdb # conformation set from SCWRL output # naming current conformation ROKKY_TS1-scwrl # ReadConformPDB reading from PDB file servers/ROKKY_TS2.pdb.gz looking for model 1 # naming current conformation ROKKY_TS2 # request to SCWRL produces command: ulimit -t 81 ; scwrl3 -i /var/tmp/to_scwrl_1978281983.pdb -s /var/tmp/to_scwrl_1978281983.seq -o /var/tmp/from_scwrl_1978281983.pdb > /var/tmp/scwrl_1978281983.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1978281983.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 74 # copying to AlignedFragments data structure # naming current conformation ROKKY_TS3 # request to SCWRL produces command: ulimit -t 81 ; scwrl3 -i /var/tmp/to_scwrl_613083615.pdb -s /var/tmp/to_scwrl_613083615.seq -o /var/tmp/from_scwrl_613083615.pdb > /var/tmp/scwrl_613083615.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_613083615.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 76 # copying to AlignedFragments data structure # naming current conformation ROKKY_TS4 # request to SCWRL produces command: ulimit -t 81 ; scwrl3 -i /var/tmp/to_scwrl_1966688728.pdb -s /var/tmp/to_scwrl_1966688728.seq -o /var/tmp/from_scwrl_1966688728.pdb > /var/tmp/scwrl_1966688728.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1966688728.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 59 # copying to AlignedFragments data structure # naming current conformation ROKKY_TS5 # request to SCWRL produces command: ulimit -t 81 ; scwrl3 -i /var/tmp/to_scwrl_240570975.pdb -s /var/tmp/to_scwrl_240570975.seq -o /var/tmp/from_scwrl_240570975.pdb > /var/tmp/scwrl_240570975.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_240570975.pdb # conformation set from SCWRL output # naming current conformation ROKKY_TS5-scwrl # ReadConformPDB reading from PDB file servers/SAM-T02_AL1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0340 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation SAM-T02_AL1 # request to SCWRL produces command: ulimit -t 81 ; scwrl3 -i /var/tmp/to_scwrl_923903723.pdb -s /var/tmp/to_scwrl_923903723.seq -o /var/tmp/from_scwrl_923903723.pdb > /var/tmp/scwrl_923903723.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_923903723.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 T0340 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL2 # request to SCWRL produces command: ulimit -t 81 ; scwrl3 -i /var/tmp/to_scwrl_1417506116.pdb -s /var/tmp/to_scwrl_1417506116.seq -o /var/tmp/from_scwrl_1417506116.pdb > /var/tmp/scwrl_1417506116.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1417506116.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 T0340 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL3 # request to SCWRL produces command: ulimit -t 81 ; scwrl3 -i /var/tmp/to_scwrl_1060346775.pdb -s /var/tmp/to_scwrl_1060346775.seq -o /var/tmp/from_scwrl_1060346775.pdb > /var/tmp/scwrl_1060346775.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1060346775.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 T0340 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL4 # request to SCWRL produces command: ulimit -t 81 ; scwrl3 -i /var/tmp/to_scwrl_2102077152.pdb -s /var/tmp/to_scwrl_2102077152.seq -o /var/tmp/from_scwrl_2102077152.pdb > /var/tmp/scwrl_2102077152.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2102077152.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 Skipped atom 15, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL5.pdb.gz Skipped atom 272, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL5.pdb.gz Skipped atom 284, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL5.pdb.gz Skipped atom 286, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL5.pdb.gz Skipped atom 288, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL5.pdb.gz Skipped atom 290, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL5.pdb.gz Skipped atom 292, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL5.pdb.gz Skipped atom 294, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL5.pdb.gz Skipped atom 296, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL5.pdb.gz Skipped atom 298, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL5.pdb.gz Skipped atom 300, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL5.pdb.gz Skipped atom 302, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL5.pdb.gz Skipped atom 304, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL5.pdb.gz Skipped atom 306, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL5.pdb.gz Skipped atom 308, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL5.pdb.gz Skipped atom 310, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL5.pdb.gz # WARNING: incomplete conformation T0340 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL5 # request to SCWRL produces command: ulimit -t 81 ; scwrl3 -i /var/tmp/to_scwrl_61695756.pdb -s /var/tmp/to_scwrl_61695756.seq -o /var/tmp/from_scwrl_61695756.pdb > /var/tmp/scwrl_61695756.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_61695756.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 T0340 can't currently be optimized by undertaker # naming current conformation SAM-T99_AL1 # request to SCWRL produces command: ulimit -t 81 ; scwrl3 -i /var/tmp/to_scwrl_257694746.pdb -s /var/tmp/to_scwrl_257694746.seq -o /var/tmp/from_scwrl_257694746.pdb > /var/tmp/scwrl_257694746.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_257694746.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 T0340 can't currently be optimized by undertaker # naming current conformation SAM-T99_AL2 # request to SCWRL produces command: ulimit -t 81 ; scwrl3 -i /var/tmp/to_scwrl_1987172207.pdb -s /var/tmp/to_scwrl_1987172207.seq -o /var/tmp/from_scwrl_1987172207.pdb > /var/tmp/scwrl_1987172207.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1987172207.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 T0340 can't currently be optimized by undertaker # naming current conformation SAM-T99_AL3 # request to SCWRL produces command: ulimit -t 81 ; scwrl3 -i /var/tmp/to_scwrl_1755610458.pdb -s /var/tmp/to_scwrl_1755610458.seq -o /var/tmp/from_scwrl_1755610458.pdb > /var/tmp/scwrl_1755610458.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1755610458.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 T0340 can't currently be optimized by undertaker # naming current conformation SAM-T99_AL4 # request to SCWRL produces command: ulimit -t 81 ; scwrl3 -i /var/tmp/to_scwrl_591592850.pdb -s /var/tmp/to_scwrl_591592850.seq -o /var/tmp/from_scwrl_591592850.pdb > /var/tmp/scwrl_591592850.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_591592850.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 T0340 can't currently be optimized by undertaker # naming current conformation SAM-T99_AL5 # request to SCWRL produces command: ulimit -t 81 ; scwrl3 -i /var/tmp/to_scwrl_379181817.pdb -s /var/tmp/to_scwrl_379181817.seq -o /var/tmp/from_scwrl_379181817.pdb > /var/tmp/scwrl_379181817.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_379181817.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 87 # copying to AlignedFragments data structure # naming current conformation SAM_T06_server_TS1 # request to SCWRL produces command: ulimit -t 81 ; scwrl3 -i /var/tmp/to_scwrl_668091344.pdb -s /var/tmp/to_scwrl_668091344.seq -o /var/tmp/from_scwrl_668091344.pdb > /var/tmp/scwrl_668091344.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_668091344.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 T0340 can't currently be optimized by undertaker # naming current conformation SAM_T06_server_TS2 # request to SCWRL produces command: ulimit -t 81 ; scwrl3 -i /var/tmp/to_scwrl_1234191256.pdb -s /var/tmp/to_scwrl_1234191256.seq -o /var/tmp/from_scwrl_1234191256.pdb > /var/tmp/scwrl_1234191256.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1234191256.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 T0340 can't currently be optimized by undertaker # naming current conformation SAM_T06_server_TS3 # request to SCWRL produces command: ulimit -t 81 ; scwrl3 -i /var/tmp/to_scwrl_1110014745.pdb -s /var/tmp/to_scwrl_1110014745.seq -o /var/tmp/from_scwrl_1110014745.pdb > /var/tmp/scwrl_1110014745.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1110014745.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 T0340 can't currently be optimized by undertaker # naming current conformation SAM_T06_server_TS4 # request to SCWRL produces command: ulimit -t 81 ; scwrl3 -i /var/tmp/to_scwrl_309158382.pdb -s /var/tmp/to_scwrl_309158382.seq -o /var/tmp/from_scwrl_309158382.pdb > /var/tmp/scwrl_309158382.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_309158382.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 T0340 can't currently be optimized by undertaker # naming current conformation SAM_T06_server_TS5 # request to SCWRL produces command: ulimit -t 81 ; scwrl3 -i /var/tmp/to_scwrl_1872698494.pdb -s /var/tmp/to_scwrl_1872698494.seq -o /var/tmp/from_scwrl_1872698494.pdb > /var/tmp/scwrl_1872698494.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1872698494.pdb # conformation set from SCWRL output # naming current conformation SAM_T06_server_TS5-scwrl # ReadConformPDB reading from PDB file servers/SP3_TS1.pdb.gz looking for model 1 # Found a chain break before 59 # copying to AlignedFragments data structure # naming current conformation SP3_TS1 # request to SCWRL produces command: ulimit -t 81 ; scwrl3 -i /var/tmp/to_scwrl_625241130.pdb -s /var/tmp/to_scwrl_625241130.seq -o /var/tmp/from_scwrl_625241130.pdb > /var/tmp/scwrl_625241130.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_625241130.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 38 # copying to AlignedFragments data structure # naming current conformation SP3_TS2 # request to SCWRL produces command: ulimit -t 81 ; scwrl3 -i /var/tmp/to_scwrl_63371662.pdb -s /var/tmp/to_scwrl_63371662.seq -o /var/tmp/from_scwrl_63371662.pdb > /var/tmp/scwrl_63371662.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_63371662.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 77 # copying to AlignedFragments data structure # naming current conformation SP3_TS3 # request to SCWRL produces command: ulimit -t 81 ; scwrl3 -i /var/tmp/to_scwrl_1644221204.pdb -s /var/tmp/to_scwrl_1644221204.seq -o /var/tmp/from_scwrl_1644221204.pdb > /var/tmp/scwrl_1644221204.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1644221204.pdb # conformation set from SCWRL output # naming current conformation SP3_TS3-scwrl # ReadConformPDB reading from PDB file servers/SP3_TS4.pdb.gz looking for model 1 # naming current conformation SP3_TS4 # request to SCWRL produces command: ulimit -t 81 ; scwrl3 -i /var/tmp/to_scwrl_242547572.pdb -s /var/tmp/to_scwrl_242547572.seq -o /var/tmp/from_scwrl_242547572.pdb > /var/tmp/scwrl_242547572.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_242547572.pdb # conformation set from SCWRL output # naming current conformation SP3_TS4-scwrl # ReadConformPDB reading from PDB file servers/SP3_TS5.pdb.gz looking for model 1 # naming current conformation SP3_TS5 # request to SCWRL produces command: ulimit -t 81 ; scwrl3 -i /var/tmp/to_scwrl_1191409459.pdb -s /var/tmp/to_scwrl_1191409459.seq -o /var/tmp/from_scwrl_1191409459.pdb > /var/tmp/scwrl_1191409459.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1191409459.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 81 ; scwrl3 -i /var/tmp/to_scwrl_825272195.pdb -s /var/tmp/to_scwrl_825272195.seq -o /var/tmp/from_scwrl_825272195.pdb > /var/tmp/scwrl_825272195.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_825272195.pdb # conformation set from SCWRL output # naming current conformation SP4_TS1-scwrl # ReadConformPDB reading from PDB file servers/SP4_TS2.pdb.gz looking for model 1 # Found a chain break before 11 # copying to AlignedFragments data structure # naming current conformation SP4_TS2 # request to SCWRL produces command: ulimit -t 81 ; scwrl3 -i /var/tmp/to_scwrl_91831450.pdb -s /var/tmp/to_scwrl_91831450.seq -o /var/tmp/from_scwrl_91831450.pdb > /var/tmp/scwrl_91831450.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_91831450.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 77 # copying to AlignedFragments data structure # naming current conformation SP4_TS3 # request to SCWRL produces command: ulimit -t 81 ; scwrl3 -i /var/tmp/to_scwrl_559685961.pdb -s /var/tmp/to_scwrl_559685961.seq -o /var/tmp/from_scwrl_559685961.pdb > /var/tmp/scwrl_559685961.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_559685961.pdb # conformation set from SCWRL output # naming current conformation SP4_TS3-scwrl # ReadConformPDB reading from PDB file servers/SP4_TS4.pdb.gz looking for model 1 # naming current conformation SP4_TS4 # request to SCWRL produces command: ulimit -t 81 ; scwrl3 -i /var/tmp/to_scwrl_114416753.pdb -s /var/tmp/to_scwrl_114416753.seq -o /var/tmp/from_scwrl_114416753.pdb > /var/tmp/scwrl_114416753.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_114416753.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 28 # copying to AlignedFragments data structure # naming current conformation SP4_TS5 # request to SCWRL produces command: ulimit -t 81 ; scwrl3 -i /var/tmp/to_scwrl_1666510552.pdb -s /var/tmp/to_scwrl_1666510552.seq -o /var/tmp/from_scwrl_1666510552.pdb > /var/tmp/scwrl_1666510552.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1666510552.pdb # conformation set from SCWRL output # naming current conformation SP4_TS5-scwrl # ReadConformPDB reading from PDB file servers/SPARKS2_TS1.pdb.gz looking for model 1 # Found a chain break before 59 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS1 # request to SCWRL produces command: ulimit -t 81 ; scwrl3 -i /var/tmp/to_scwrl_406548119.pdb -s /var/tmp/to_scwrl_406548119.seq -o /var/tmp/from_scwrl_406548119.pdb > /var/tmp/scwrl_406548119.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_406548119.pdb # conformation set from SCWRL output # naming current conformation SPARKS2_TS1-scwrl # ReadConformPDB reading from PDB file servers/SPARKS2_TS2.pdb.gz looking for model 1 # Found a chain break before 77 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS2 # request to SCWRL produces command: ulimit -t 81 ; scwrl3 -i /var/tmp/to_scwrl_902868621.pdb -s /var/tmp/to_scwrl_902868621.seq -o /var/tmp/from_scwrl_902868621.pdb > /var/tmp/scwrl_902868621.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_902868621.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 38 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS3 # request to SCWRL produces command: ulimit -t 81 ; scwrl3 -i /var/tmp/to_scwrl_1497308888.pdb -s /var/tmp/to_scwrl_1497308888.seq -o /var/tmp/from_scwrl_1497308888.pdb > /var/tmp/scwrl_1497308888.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1497308888.pdb # conformation set from SCWRL output # naming current conformation SPARKS2_TS3-scwrl # ReadConformPDB reading from PDB file servers/SPARKS2_TS4.pdb.gz looking for model 1 # naming current conformation SPARKS2_TS4 # request to SCWRL produces command: ulimit -t 81 ; scwrl3 -i /var/tmp/to_scwrl_1019631735.pdb -s /var/tmp/to_scwrl_1019631735.seq -o /var/tmp/from_scwrl_1019631735.pdb > /var/tmp/scwrl_1019631735.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1019631735.pdb # conformation set from SCWRL output # naming current conformation SPARKS2_TS4-scwrl # ReadConformPDB reading from PDB file servers/SPARKS2_TS5.pdb.gz looking for model 1 # naming current conformation SPARKS2_TS5 # request to SCWRL produces command: ulimit -t 81 ; scwrl3 -i /var/tmp/to_scwrl_722073702.pdb -s /var/tmp/to_scwrl_722073702.seq -o /var/tmp/from_scwrl_722073702.pdb > /var/tmp/scwrl_722073702.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_722073702.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 T0340 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 81 ; scwrl3 -i /var/tmp/to_scwrl_1737879864.pdb -s /var/tmp/to_scwrl_1737879864.seq -o /var/tmp/from_scwrl_1737879864.pdb > /var/tmp/scwrl_1737879864.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1737879864.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 T0340 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS2 # request to SCWRL produces command: ulimit -t 81 ; scwrl3 -i /var/tmp/to_scwrl_1943535457.pdb -s /var/tmp/to_scwrl_1943535457.seq -o /var/tmp/from_scwrl_1943535457.pdb > /var/tmp/scwrl_1943535457.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1943535457.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 T0340 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 81 ; scwrl3 -i /var/tmp/to_scwrl_2139579818.pdb -s /var/tmp/to_scwrl_2139579818.seq -o /var/tmp/from_scwrl_2139579818.pdb > /var/tmp/scwrl_2139579818.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2139579818.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 T0340 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS4 # request to SCWRL produces command: ulimit -t 81 ; scwrl3 -i /var/tmp/to_scwrl_650742992.pdb -s /var/tmp/to_scwrl_650742992.seq -o /var/tmp/from_scwrl_650742992.pdb > /var/tmp/scwrl_650742992.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_650742992.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 T0340 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS5 # request to SCWRL produces command: ulimit -t 81 ; scwrl3 -i /var/tmp/to_scwrl_1898128962.pdb -s /var/tmp/to_scwrl_1898128962.seq -o /var/tmp/from_scwrl_1898128962.pdb > /var/tmp/scwrl_1898128962.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1898128962.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 T0340 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 81 ; scwrl3 -i /var/tmp/to_scwrl_53791928.pdb -s /var/tmp/to_scwrl_53791928.seq -o /var/tmp/from_scwrl_53791928.pdb > /var/tmp/scwrl_53791928.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_53791928.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 T0340 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 81 ; scwrl3 -i /var/tmp/to_scwrl_908437738.pdb -s /var/tmp/to_scwrl_908437738.seq -o /var/tmp/from_scwrl_908437738.pdb > /var/tmp/scwrl_908437738.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_908437738.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 T0340 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL2 # request to SCWRL produces command: ulimit -t 81 ; scwrl3 -i /var/tmp/to_scwrl_1737817522.pdb -s /var/tmp/to_scwrl_1737817522.seq -o /var/tmp/from_scwrl_1737817522.pdb > /var/tmp/scwrl_1737817522.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1737817522.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 T0340 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL3 # request to SCWRL produces command: ulimit -t 81 ; scwrl3 -i /var/tmp/to_scwrl_1809402386.pdb -s /var/tmp/to_scwrl_1809402386.seq -o /var/tmp/from_scwrl_1809402386.pdb > /var/tmp/scwrl_1809402386.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1809402386.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 T0340 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL4 # request to SCWRL produces command: ulimit -t 81 ; scwrl3 -i /var/tmp/to_scwrl_1500030587.pdb -s /var/tmp/to_scwrl_1500030587.seq -o /var/tmp/from_scwrl_1500030587.pdb > /var/tmp/scwrl_1500030587.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1500030587.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 Skipped atom 211, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL5.pdb.gz # WARNING: incomplete conformation T0340 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL5 # request to SCWRL produces command: ulimit -t 81 ; scwrl3 -i /var/tmp/to_scwrl_2116999339.pdb -s /var/tmp/to_scwrl_2116999339.seq -o /var/tmp/from_scwrl_2116999339.pdb > /var/tmp/scwrl_2116999339.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2116999339.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 48 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS1 # request to SCWRL produces command: ulimit -t 81 ; scwrl3 -i /var/tmp/to_scwrl_330010084.pdb -s /var/tmp/to_scwrl_330010084.seq -o /var/tmp/from_scwrl_330010084.pdb > /var/tmp/scwrl_330010084.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_330010084.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 48 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS2 # request to SCWRL produces command: ulimit -t 81 ; scwrl3 -i /var/tmp/to_scwrl_586738197.pdb -s /var/tmp/to_scwrl_586738197.seq -o /var/tmp/from_scwrl_586738197.pdb > /var/tmp/scwrl_586738197.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_586738197.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 48 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS3 # request to SCWRL produces command: ulimit -t 81 ; scwrl3 -i /var/tmp/to_scwrl_1079530438.pdb -s /var/tmp/to_scwrl_1079530438.seq -o /var/tmp/from_scwrl_1079530438.pdb > /var/tmp/scwrl_1079530438.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1079530438.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 48 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS4 # request to SCWRL produces command: ulimit -t 81 ; scwrl3 -i /var/tmp/to_scwrl_639168466.pdb -s /var/tmp/to_scwrl_639168466.seq -o /var/tmp/from_scwrl_639168466.pdb > /var/tmp/scwrl_639168466.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_639168466.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 81 ; scwrl3 -i /var/tmp/to_scwrl_311953045.pdb -s /var/tmp/to_scwrl_311953045.seq -o /var/tmp/from_scwrl_311953045.pdb > /var/tmp/scwrl_311953045.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_311953045.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 89 # copying to AlignedFragments data structure # naming current conformation beautshot_TS1 # request to SCWRL produces command: ulimit -t 81 ; scwrl3 -i /var/tmp/to_scwrl_1704771568.pdb -s /var/tmp/to_scwrl_1704771568.seq -o /var/tmp/from_scwrl_1704771568.pdb > /var/tmp/scwrl_1704771568.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1704771568.pdb # conformation set from SCWRL output # naming current conformation beautshot_TS1-scwrl # ReadConformPDB reading from PDB file servers/beautshotbase_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0340 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation beautshotbase_TS1 # request to SCWRL produces command: ulimit -t 81 ; scwrl3 -i /var/tmp/to_scwrl_702540128.pdb -s /var/tmp/to_scwrl_702540128.seq -o /var/tmp/from_scwrl_702540128.pdb > /var/tmp/scwrl_702540128.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_702540128.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 T0340 can't currently be optimized by undertaker # naming current conformation forecast-s_AL1 # request to SCWRL produces command: ulimit -t 81 ; scwrl3 -i /var/tmp/to_scwrl_1956174249.pdb -s /var/tmp/to_scwrl_1956174249.seq -o /var/tmp/from_scwrl_1956174249.pdb > /var/tmp/scwrl_1956174249.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1956174249.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 T0340 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 81 ; scwrl3 -i /var/tmp/to_scwrl_1947319140.pdb -s /var/tmp/to_scwrl_1947319140.seq -o /var/tmp/from_scwrl_1947319140.pdb > /var/tmp/scwrl_1947319140.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1947319140.pdb # conformation set from SCWRL output # naming current conformation forecast-s_AL2-scwrl # ReadConformPDB reading from PDB file servers/forecast-s_AL3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0340 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation forecast-s_AL3 # request to SCWRL produces command: ulimit -t 81 ; scwrl3 -i /var/tmp/to_scwrl_1893949587.pdb -s /var/tmp/to_scwrl_1893949587.seq -o /var/tmp/from_scwrl_1893949587.pdb > /var/tmp/scwrl_1893949587.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1893949587.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 T0340 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation forecast-s_AL4 # request to SCWRL produces command: ulimit -t 81 ; scwrl3 -i /var/tmp/to_scwrl_633962798.pdb -s /var/tmp/to_scwrl_633962798.seq -o /var/tmp/from_scwrl_633962798.pdb > /var/tmp/scwrl_633962798.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_633962798.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 T0340 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation forecast-s_AL5 # request to SCWRL produces command: ulimit -t 81 ; scwrl3 -i /var/tmp/to_scwrl_2039150590.pdb -s /var/tmp/to_scwrl_2039150590.seq -o /var/tmp/from_scwrl_2039150590.pdb > /var/tmp/scwrl_2039150590.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2039150590.pdb # conformation set from SCWRL output # naming current conformation forecast-s_AL5-scwrl # ReadConformPDB reading from PDB file servers/gtg_AL1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0340 can't currently be optimized by undertaker # naming current conformation gtg_AL1 # request to SCWRL produces command: ulimit -t 81 ; scwrl3 -i /var/tmp/to_scwrl_306151902.pdb -s /var/tmp/to_scwrl_306151902.seq -o /var/tmp/from_scwrl_306151902.pdb > /var/tmp/scwrl_306151902.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_306151902.pdb # conformation set from SCWRL output # naming current conformation gtg_AL1-scwrl # ReadConformPDB reading from PDB file servers/gtg_AL2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0340 can't currently be optimized by undertaker # naming current conformation gtg_AL2 # request to SCWRL produces command: ulimit -t 81 ; scwrl3 -i /var/tmp/to_scwrl_748379551.pdb -s /var/tmp/to_scwrl_748379551.seq -o /var/tmp/from_scwrl_748379551.pdb > /var/tmp/scwrl_748379551.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_748379551.pdb # conformation set from SCWRL output # naming current conformation gtg_AL2-scwrl # ReadConformPDB reading from PDB file servers/gtg_AL3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0340 can't currently be optimized by undertaker # naming current conformation gtg_AL3 # request to SCWRL produces command: ulimit -t 81 ; scwrl3 -i /var/tmp/to_scwrl_1558177495.pdb -s /var/tmp/to_scwrl_1558177495.seq -o /var/tmp/from_scwrl_1558177495.pdb > /var/tmp/scwrl_1558177495.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1558177495.pdb # conformation set from SCWRL output # naming current conformation gtg_AL3-scwrl # ReadConformPDB reading from PDB file servers/gtg_AL4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0340 can't currently be optimized by undertaker # naming current conformation gtg_AL4 # request to SCWRL produces command: ulimit -t 81 ; scwrl3 -i /var/tmp/to_scwrl_712700021.pdb -s /var/tmp/to_scwrl_712700021.seq -o /var/tmp/from_scwrl_712700021.pdb > /var/tmp/scwrl_712700021.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_712700021.pdb # conformation set from SCWRL output # naming current conformation gtg_AL4-scwrl # ReadConformPDB reading from PDB file servers/gtg_AL5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0340 can't currently be optimized by undertaker # naming current conformation gtg_AL5 # request to SCWRL produces command: ulimit -t 81 ; scwrl3 -i /var/tmp/to_scwrl_1651248171.pdb -s /var/tmp/to_scwrl_1651248171.seq -o /var/tmp/from_scwrl_1651248171.pdb > /var/tmp/scwrl_1651248171.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1651248171.pdb # conformation set from SCWRL output # naming current conformation gtg_AL5-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv.2_TS1.pdb.gz looking for model 1 # Found a chain break before 59 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS1 # request to SCWRL produces command: ulimit -t 81 ; scwrl3 -i /var/tmp/to_scwrl_908002738.pdb -s /var/tmp/to_scwrl_908002738.seq -o /var/tmp/from_scwrl_908002738.pdb > /var/tmp/scwrl_908002738.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_908002738.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 # naming current conformation karypis.srv.2_TS2 # request to SCWRL produces command: ulimit -t 81 ; scwrl3 -i /var/tmp/to_scwrl_1732331755.pdb -s /var/tmp/to_scwrl_1732331755.seq -o /var/tmp/from_scwrl_1732331755.pdb > /var/tmp/scwrl_1732331755.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1732331755.pdb # conformation set from SCWRL output # naming current conformation karypis.srv.2_TS2-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv.2_TS3.pdb.gz looking for model 1 # naming current conformation karypis.srv.2_TS3 # request to SCWRL produces command: ulimit -t 81 ; scwrl3 -i /var/tmp/to_scwrl_225838227.pdb -s /var/tmp/to_scwrl_225838227.seq -o /var/tmp/from_scwrl_225838227.pdb > /var/tmp/scwrl_225838227.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_225838227.pdb # conformation set from SCWRL output # naming current conformation karypis.srv.2_TS3-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv.2_TS4.pdb.gz looking for model 1 # Found a chain break before 75 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS4 # request to SCWRL produces command: ulimit -t 81 ; scwrl3 -i /var/tmp/to_scwrl_498398955.pdb -s /var/tmp/to_scwrl_498398955.seq -o /var/tmp/from_scwrl_498398955.pdb > /var/tmp/scwrl_498398955.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_498398955.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 75 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS5 # request to SCWRL produces command: ulimit -t 81 ; scwrl3 -i /var/tmp/to_scwrl_1528383565.pdb -s /var/tmp/to_scwrl_1528383565.seq -o /var/tmp/from_scwrl_1528383565.pdb > /var/tmp/scwrl_1528383565.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1528383565.pdb # conformation set from SCWRL output # naming current conformation karypis.srv.2_TS5-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv.4_TS1.pdb.gz looking for model 1 # Found a chain break before 84 # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS1 # request to SCWRL produces command: ulimit -t 81 ; scwrl3 -i /var/tmp/to_scwrl_217934398.pdb -s /var/tmp/to_scwrl_217934398.seq -o /var/tmp/from_scwrl_217934398.pdb > /var/tmp/scwrl_217934398.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_217934398.pdb # conformation set from SCWRL output # naming current conformation karypis.srv.4_TS1-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv.4_TS2.pdb.gz looking for model 1 # Found a chain break before 87 # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS2 # request to SCWRL produces command: ulimit -t 81 ; scwrl3 -i /var/tmp/to_scwrl_1149141946.pdb -s /var/tmp/to_scwrl_1149141946.seq -o /var/tmp/from_scwrl_1149141946.pdb > /var/tmp/scwrl_1149141946.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1149141946.pdb # conformation set from SCWRL output # naming current conformation karypis.srv.4_TS2-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv.4_TS3.pdb.gz looking for model 1 # Found a chain break before 89 # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS3 # request to SCWRL produces command: ulimit -t 81 ; scwrl3 -i /var/tmp/to_scwrl_1279028880.pdb -s /var/tmp/to_scwrl_1279028880.seq -o /var/tmp/from_scwrl_1279028880.pdb > /var/tmp/scwrl_1279028880.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1279028880.pdb # conformation set from SCWRL output # naming current conformation karypis.srv.4_TS3-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv.4_TS4.pdb.gz looking for model 1 WARNING: atoms too close: (T0340)H22.O and (T0340)S23.N only 0.000 apart, marking (T0340)S23.N as missing # WARNING: incomplete conformation T0340 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS4 # request to SCWRL produces command: ulimit -t 81 ; scwrl3 -i /var/tmp/to_scwrl_271726326.pdb -s /var/tmp/to_scwrl_271726326.seq -o /var/tmp/from_scwrl_271726326.pdb > /var/tmp/scwrl_271726326.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_271726326.pdb # conformation set from SCWRL output # naming current conformation karypis.srv.4_TS4-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv.4_TS5.pdb.gz looking for model 1 # Found a chain break before 87 # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS5 # request to SCWRL produces command: ulimit -t 81 ; scwrl3 -i /var/tmp/to_scwrl_2057579685.pdb -s /var/tmp/to_scwrl_2057579685.seq -o /var/tmp/from_scwrl_2057579685.pdb > /var/tmp/scwrl_2057579685.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2057579685.pdb # conformation set from SCWRL output # naming current conformation karypis.srv.4_TS5-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0340 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 81 ; scwrl3 -i /var/tmp/to_scwrl_869362757.pdb -s /var/tmp/to_scwrl_869362757.seq -o /var/tmp/from_scwrl_869362757.pdb > /var/tmp/scwrl_869362757.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_869362757.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 T0340 can't currently be optimized by undertaker # naming current conformation karypis.srv_TS2 # request to SCWRL produces command: ulimit -t 81 ; scwrl3 -i /var/tmp/to_scwrl_2081128713.pdb -s /var/tmp/to_scwrl_2081128713.seq -o /var/tmp/from_scwrl_2081128713.pdb > /var/tmp/scwrl_2081128713.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2081128713.pdb # conformation set from SCWRL output # naming current conformation karypis.srv_TS2-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0340 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation karypis.srv_TS3 # request to SCWRL produces command: ulimit -t 81 ; scwrl3 -i /var/tmp/to_scwrl_1410126625.pdb -s /var/tmp/to_scwrl_1410126625.seq -o /var/tmp/from_scwrl_1410126625.pdb > /var/tmp/scwrl_1410126625.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1410126625.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 T0340 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 81 ; scwrl3 -i /var/tmp/to_scwrl_838878449.pdb -s /var/tmp/to_scwrl_838878449.seq -o /var/tmp/from_scwrl_838878449.pdb > /var/tmp/scwrl_838878449.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_838878449.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 T0340 can't currently be optimized by undertaker # naming current conformation karypis.srv_TS5 # request to SCWRL produces command: ulimit -t 81 ; scwrl3 -i /var/tmp/to_scwrl_263655150.pdb -s /var/tmp/to_scwrl_263655150.seq -o /var/tmp/from_scwrl_263655150.pdb > /var/tmp/scwrl_263655150.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_263655150.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 84 # copying to AlignedFragments data structure # naming current conformation keasar-server_TS1 # request to SCWRL produces command: ulimit -t 81 ; scwrl3 -i /var/tmp/to_scwrl_1996864823.pdb -s /var/tmp/to_scwrl_1996864823.seq -o /var/tmp/from_scwrl_1996864823.pdb > /var/tmp/scwrl_1996864823.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1996864823.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 84 # copying to AlignedFragments data structure # naming current conformation keasar-server_TS2 # request to SCWRL produces command: ulimit -t 81 ; scwrl3 -i /var/tmp/to_scwrl_1918408887.pdb -s /var/tmp/to_scwrl_1918408887.seq -o /var/tmp/from_scwrl_1918408887.pdb > /var/tmp/scwrl_1918408887.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1918408887.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 83 # copying to AlignedFragments data structure # naming current conformation keasar-server_TS3 # request to SCWRL produces command: ulimit -t 81 ; scwrl3 -i /var/tmp/to_scwrl_902823616.pdb -s /var/tmp/to_scwrl_902823616.seq -o /var/tmp/from_scwrl_902823616.pdb > /var/tmp/scwrl_902823616.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_902823616.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 51 # copying to AlignedFragments data structure # naming current conformation keasar-server_TS4 # request to SCWRL produces command: ulimit -t 81 ; scwrl3 -i /var/tmp/to_scwrl_161334221.pdb -s /var/tmp/to_scwrl_161334221.seq -o /var/tmp/from_scwrl_161334221.pdb > /var/tmp/scwrl_161334221.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_161334221.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 79 # copying to AlignedFragments data structure # naming current conformation keasar-server_TS5 # request to SCWRL produces command: ulimit -t 81 ; scwrl3 -i /var/tmp/to_scwrl_1475696809.pdb -s /var/tmp/to_scwrl_1475696809.seq -o /var/tmp/from_scwrl_1475696809.pdb > /var/tmp/scwrl_1475696809.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1475696809.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 T0340 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation mGen-3D_TS1 # request to SCWRL produces command: ulimit -t 81 ; scwrl3 -i /var/tmp/to_scwrl_1605363743.pdb -s /var/tmp/to_scwrl_1605363743.seq -o /var/tmp/from_scwrl_1605363743.pdb > /var/tmp/scwrl_1605363743.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1605363743.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 T0340 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation nFOLD_TS1 # request to SCWRL produces command: ulimit -t 81 ; scwrl3 -i /var/tmp/to_scwrl_2117508470.pdb -s /var/tmp/to_scwrl_2117508470.seq -o /var/tmp/from_scwrl_2117508470.pdb > /var/tmp/scwrl_2117508470.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2117508470.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 T0340 can't currently be optimized by undertaker # naming current conformation nFOLD_TS2 # request to SCWRL produces command: ulimit -t 81 ; scwrl3 -i /var/tmp/to_scwrl_1275532302.pdb -s /var/tmp/to_scwrl_1275532302.seq -o /var/tmp/from_scwrl_1275532302.pdb > /var/tmp/scwrl_1275532302.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1275532302.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 T0340 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation nFOLD_TS3 # request to SCWRL produces command: ulimit -t 81 ; scwrl3 -i /var/tmp/to_scwrl_1351829683.pdb -s /var/tmp/to_scwrl_1351829683.seq -o /var/tmp/from_scwrl_1351829683.pdb > /var/tmp/scwrl_1351829683.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1351829683.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 T0340 can't currently be optimized by undertaker # naming current conformation nFOLD_TS4 # request to SCWRL produces command: ulimit -t 81 ; scwrl3 -i /var/tmp/to_scwrl_603987621.pdb -s /var/tmp/to_scwrl_603987621.seq -o /var/tmp/from_scwrl_603987621.pdb > /var/tmp/scwrl_603987621.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_603987621.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 T0340 can't currently be optimized by undertaker # naming current conformation nFOLD_TS5 # request to SCWRL produces command: ulimit -t 81 ; scwrl3 -i /var/tmp/to_scwrl_1167199246.pdb -s /var/tmp/to_scwrl_1167199246.seq -o /var/tmp/from_scwrl_1167199246.pdb > /var/tmp/scwrl_1167199246.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1167199246.pdb # conformation set from SCWRL output # naming current conformation nFOLD_TS5-scwrl # ReadConformPDB reading from PDB file servers/panther2_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0340 can't currently be optimized by undertaker # naming current conformation panther2_TS1 # request to SCWRL produces command: ulimit -t 81 ; scwrl3 -i /var/tmp/to_scwrl_1657981585.pdb -s /var/tmp/to_scwrl_1657981585.seq -o /var/tmp/from_scwrl_1657981585.pdb > /var/tmp/scwrl_1657981585.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1657981585.pdb # conformation set from SCWRL output # naming current conformation panther2_TS1-scwrl # ReadConformPDB reading from PDB file servers/panther3_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0340 can't currently be optimized by undertaker # naming current conformation panther3_TS1 # request to SCWRL produces command: ulimit -t 81 ; scwrl3 -i /var/tmp/to_scwrl_1352367171.pdb -s /var/tmp/to_scwrl_1352367171.seq -o /var/tmp/from_scwrl_1352367171.pdb > /var/tmp/scwrl_1352367171.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1352367171.pdb # conformation set from SCWRL output # naming current conformation panther3_TS1-scwrl # ReadConformPDB reading from PDB file servers/shub_TS1.pdb.gz looking for model 1 # Found a chain break before 89 # copying to AlignedFragments data structure # naming current conformation shub_TS1 # request to SCWRL produces command: ulimit -t 81 ; scwrl3 -i /var/tmp/to_scwrl_577893095.pdb -s /var/tmp/to_scwrl_577893095.seq -o /var/tmp/from_scwrl_577893095.pdb > /var/tmp/scwrl_577893095.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_577893095.pdb # conformation set from SCWRL output # naming current conformation shub_TS1-scwrl # command:CPU_time= 20.317 sec, elapsed time= 211.672 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 49.206 real_cost = -235.909 shub_TS1 costs 49.206 real_cost = -242.006 panther3_TS1-scwrl costs 44.520 real_cost = -305.059 panther3_TS1 costs 44.536 real_cost = -287.497 panther2_TS1-scwrl costs 43.876 real_cost = -306.622 panther2_TS1 costs 43.874 real_cost = -285.197 nFOLD_TS5-scwrl costs 63.590 real_cost = -173.536 nFOLD_TS5 costs 63.698 real_cost = -121.865 nFOLD_TS4-scwrl costs 54.675 real_cost = -226.558 nFOLD_TS4 costs 54.678 real_cost = -170.886 nFOLD_TS3-scwrl costs 60.528 real_cost = -161.366 nFOLD_TS3 costs 60.528 real_cost = -118.580 nFOLD_TS2-scwrl costs 52.579 real_cost = -143.706 nFOLD_TS2 costs 52.491 real_cost = -95.531 nFOLD_TS1-scwrl costs 43.234 real_cost = -282.848 nFOLD_TS1 costs 43.234 real_cost = -233.962 mGen-3D_TS1-scwrl costs 43.234 real_cost = -282.848 mGen-3D_TS1 costs 43.234 real_cost = -233.962 keasar-server_TS5-scwrl costs 56.778 real_cost = -88.851 keasar-server_TS5 costs 56.778 real_cost = -66.137 keasar-server_TS4-scwrl costs 53.652 real_cost = -169.297 keasar-server_TS4 costs 53.652 real_cost = -163.701 keasar-server_TS3-scwrl costs 54.620 real_cost = -137.879 keasar-server_TS3 costs 54.620 real_cost = -133.947 keasar-server_TS2-scwrl costs 61.380 real_cost = -101.684 keasar-server_TS2 costs 61.380 real_cost = -77.229 keasar-server_TS1-scwrl costs 61.380 real_cost = -101.684 keasar-server_TS1 costs 61.380 real_cost = -77.229 karypis.srv_TS5-scwrl costs 42.894 real_cost = -168.734 karypis.srv_TS5 costs 42.902 real_cost = -170.211 karypis.srv_TS4-scwrl costs 48.242 real_cost = -205.864 karypis.srv_TS4 costs 48.242 real_cost = -205.260 karypis.srv_TS3-scwrl costs 52.110 real_cost = -163.199 karypis.srv_TS3 costs 52.110 real_cost = -163.200 karypis.srv_TS2-scwrl costs 43.035 real_cost = -172.508 karypis.srv_TS2 costs 43.043 real_cost = -169.977 karypis.srv_TS1-scwrl costs 42.994 real_cost = -301.298 karypis.srv_TS1 costs 42.994 real_cost = -301.294 karypis.srv.4_TS5-scwrl costs 127.326 real_cost = 237.565 karypis.srv.4_TS5 costs 127.326 real_cost = 237.565 karypis.srv.4_TS4-scwrl costs 115.995 real_cost = 176.634 karypis.srv.4_TS4 costs 115.995 real_cost = 178.015 karypis.srv.4_TS3-scwrl costs 142.191 real_cost = 302.153 karypis.srv.4_TS3 costs 142.191 real_cost = 302.153 karypis.srv.4_TS2-scwrl costs 138.499 real_cost = 291.528 karypis.srv.4_TS2 costs 138.499 real_cost = 291.528 karypis.srv.4_TS1-scwrl costs 115.127 real_cost = 274.747 karypis.srv.4_TS1 costs 115.127 real_cost = 274.747 karypis.srv.2_TS5-scwrl costs 42.748 real_cost = -258.607 karypis.srv.2_TS5 costs 42.748 real_cost = -258.607 karypis.srv.2_TS4-scwrl costs 42.721 real_cost = -258.137 karypis.srv.2_TS4 costs 42.721 real_cost = -258.137 karypis.srv.2_TS3-scwrl costs 46.614 real_cost = -156.840 karypis.srv.2_TS3 costs 46.614 real_cost = -156.840 karypis.srv.2_TS2-scwrl costs 51.669 real_cost = -258.687 karypis.srv.2_TS2 costs 51.669 real_cost = -258.687 karypis.srv.2_TS1-scwrl costs 49.342 real_cost = -256.463 karypis.srv.2_TS1 costs 49.342 real_cost = -256.463 gtg_AL5-scwrl costs 69.137 real_cost = -50.989 gtg_AL5 costs 69.176 real_cost = 14.314 gtg_AL4-scwrl costs 58.663 real_cost = -172.986 gtg_AL4 costs 59.116 real_cost = -138.675 gtg_AL3-scwrl costs 56.959 real_cost = -149.721 gtg_AL3 costs 56.937 real_cost = -87.386 gtg_AL2-scwrl costs 44.633 real_cost = -302.963 gtg_AL2 costs 44.550 real_cost = -244.148 gtg_AL1-scwrl costs 76.261 real_cost = -167.085 gtg_AL1 costs 76.266 real_cost = -110.005 forecast-s_AL5-scwrl costs 60.961 real_cost = -104.051 forecast-s_AL5 costs 60.961 real_cost = -50.186 forecast-s_AL4-scwrl costs 55.015 real_cost = -103.630 forecast-s_AL4 costs 55.015 real_cost = -110.013 forecast-s_AL3-scwrl costs 50.851 real_cost = -31.231 forecast-s_AL3 costs 50.851 real_cost = -30.176 forecast-s_AL2-scwrl costs 57.441 real_cost = -67.816 forecast-s_AL2 costs 57.441 real_cost = -71.758 forecast-s_AL1-scwrl costs 53.189 real_cost = -148.912 forecast-s_AL1 costs 53.101 real_cost = -85.448 beautshotbase_TS1-scwrl costs 44.566 real_cost = -261.816 beautshotbase_TS1 costs 44.566 real_cost = -261.911 beautshot_TS1-scwrl costs 52.836 real_cost = -215.105 beautshot_TS1 costs 52.836 real_cost = -213.782 Zhang-Server_TS5-scwrl costs 43.828 real_cost = -273.521 Zhang-Server_TS5 costs 43.828 real_cost = -273.521 Zhang-Server_TS4-scwrl costs 44.372 real_cost = -266.734 Zhang-Server_TS4 costs 44.372 real_cost = -266.734 Zhang-Server_TS3-scwrl costs 36.256 real_cost = -263.432 Zhang-Server_TS3 costs 36.256 real_cost = -263.432 Zhang-Server_TS2-scwrl costs 39.786 real_cost = -274.703 Zhang-Server_TS2 costs 39.786 real_cost = -274.703 Zhang-Server_TS1-scwrl costs 39.093 real_cost = -273.142 Zhang-Server_TS1 costs 39.093 real_cost = -273.142 UNI-EID_sfst_AL5-scwrl costs 57.444 real_cost = -216.025 UNI-EID_sfst_AL5 costs 57.471 real_cost = -158.603 UNI-EID_sfst_AL4-scwrl costs 69.816 real_cost = -153.226 UNI-EID_sfst_AL4 costs 69.733 real_cost = -102.103 UNI-EID_sfst_AL3-scwrl costs 60.224 real_cost = -137.909 UNI-EID_sfst_AL3 costs 60.189 real_cost = -106.763 UNI-EID_sfst_AL2-scwrl costs 62.618 real_cost = -170.150 UNI-EID_sfst_AL2 costs 62.535 real_cost = -121.288 UNI-EID_sfst_AL1-scwrl costs 44.240 real_cost = -263.432 UNI-EID_sfst_AL1 costs 44.240 real_cost = -197.459 UNI-EID_expm_TS1-scwrl costs 72.302 real_cost = -213.292 UNI-EID_expm_TS1 costs 72.302 real_cost = -181.890 UNI-EID_bnmx_TS5-scwrl costs 57.444 real_cost = -216.025 UNI-EID_bnmx_TS5 costs 57.471 real_cost = -158.603 UNI-EID_bnmx_TS4-scwrl costs 72.845 real_cost = -103.438 UNI-EID_bnmx_TS4 costs 72.892 real_cost = -49.903 UNI-EID_bnmx_TS3-scwrl costs 55.289 real_cost = -141.281 UNI-EID_bnmx_TS3 costs 55.289 real_cost = -96.781 UNI-EID_bnmx_TS2-scwrl costs 61.770 real_cost = -185.531 UNI-EID_bnmx_TS2 costs 61.781 real_cost = -131.600 UNI-EID_bnmx_TS1-scwrl costs 43.596 real_cost = -265.547 UNI-EID_bnmx_TS1 costs 43.596 real_cost = -198.683 SPARKS2_TS5-scwrl costs 51.031 real_cost = -145.804 SPARKS2_TS5 costs 51.031 real_cost = -124.571 SPARKS2_TS4-scwrl costs 40.845 real_cost = -142.683 SPARKS2_TS4 costs 40.845 real_cost = -128.219 SPARKS2_TS3-scwrl costs 47.384 real_cost = -123.406 SPARKS2_TS3 costs 47.384 real_cost = -108.561 SPARKS2_TS2-scwrl costs 55.985 real_cost = -151.996 SPARKS2_TS2 costs 55.985 real_cost = -144.676 SPARKS2_TS1-scwrl costs 39.889 real_cost = -282.418 SPARKS2_TS1 costs 39.889 real_cost = -268.879 SP4_TS5-scwrl costs 50.219 real_cost = -144.014 SP4_TS5 costs 50.219 real_cost = -147.024 SP4_TS4-scwrl costs 48.634 real_cost = -175.877 SP4_TS4 costs 48.634 real_cost = -168.768 SP4_TS3-scwrl costs 51.236 real_cost = -138.701 SP4_TS3 costs 51.236 real_cost = -130.359 SP4_TS2-scwrl costs 41.566 real_cost = -129.321 SP4_TS2 costs 41.566 real_cost = -133.692 SP4_TS1-scwrl costs 39.213 real_cost = -275.126 SP4_TS1 costs 39.213 real_cost = -261.702 SP3_TS5-scwrl costs 48.634 real_cost = -175.877 SP3_TS5 costs 48.634 real_cost = -168.768 SP3_TS4-scwrl costs 42.549 real_cost = -159.371 SP3_TS4 costs 42.549 real_cost = -148.764 SP3_TS3-scwrl costs 55.985 real_cost = -151.996 SP3_TS3 costs 55.985 real_cost = -144.676 SP3_TS2-scwrl costs 47.384 real_cost = -123.406 SP3_TS2 costs 47.384 real_cost = -108.561 SP3_TS1-scwrl costs 39.889 real_cost = -282.418 SP3_TS1 costs 39.889 real_cost = -268.879 SAM_T06_server_TS5-scwrl costs 56.049 real_cost = -146.220 SAM_T06_server_TS5 costs 56.030 real_cost = -167.484 SAM_T06_server_TS4-scwrl costs 70.221 real_cost = -136.422 SAM_T06_server_TS4 costs 70.235 real_cost = -161.207 SAM_T06_server_TS3-scwrl costs 62.314 real_cost = -131.318 SAM_T06_server_TS3 costs 62.334 real_cost = -155.268 SAM_T06_server_TS2-scwrl costs 44.981 real_cost = -270.268 SAM_T06_server_TS2 costs 44.893 real_cost = -274.062 SAM_T06_server_TS1-scwrl costs 53.140 real_cost = -269.374 SAM_T06_server_TS1 costs 53.140 real_cost = -270.560 SAM-T99_AL5-scwrl costs 49.942 real_cost = -296.918 SAM-T99_AL5 costs 49.862 real_cost = -235.832 SAM-T99_AL4-scwrl costs 71.770 real_cost = -168.962 SAM-T99_AL4 costs 72.082 real_cost = -119.785 SAM-T99_AL3-scwrl costs 58.499 real_cost = -177.160 SAM-T99_AL3 costs 58.452 real_cost = -143.326 SAM-T99_AL2-scwrl costs 56.642 real_cost = -186.044 SAM-T99_AL2 costs 56.695 real_cost = -135.996 SAM-T99_AL1-scwrl costs 56.102 real_cost = -182.170 SAM-T99_AL1 costs 56.055 real_cost = -133.247 SAM-T02_AL5-scwrl costs 59.307 real_cost = -182.606 SAM-T02_AL5 costs 59.687 real_cost = -134.363 SAM-T02_AL4-scwrl costs 55.881 real_cost = -101.846 SAM-T02_AL4 costs 55.812 real_cost = -72.733 SAM-T02_AL3-scwrl costs 61.331 real_cost = -57.773 SAM-T02_AL3 costs 61.858 real_cost = -1.995 SAM-T02_AL2-scwrl costs 55.229 real_cost = -187.119 SAM-T02_AL2 costs 55.277 real_cost = -133.791 SAM-T02_AL1-scwrl costs 45.164 real_cost = -302.382 SAM-T02_AL1 costs 45.164 real_cost = -244.148 ROKKY_TS5-scwrl costs 52.792 real_cost = -169.589 ROKKY_TS5 costs 52.792 real_cost = -159.869 ROKKY_TS4-scwrl costs 48.100 real_cost = -254.876 ROKKY_TS4 costs 48.100 real_cost = -244.079 ROKKY_TS3-scwrl costs 45.281 real_cost = -261.473 ROKKY_TS3 costs 45.281 real_cost = -253.860 ROKKY_TS2-scwrl costs 41.835 real_cost = -274.174 ROKKY_TS2 costs 41.835 real_cost = -272.450 ROKKY_TS1-scwrl costs 48.024 real_cost = -263.215 ROKKY_TS1 costs 48.024 real_cost = -254.775 ROBETTA_TS5-scwrl costs 41.847 real_cost = -260.936 ROBETTA_TS5 costs 41.847 real_cost = -268.704 ROBETTA_TS4-scwrl costs 45.113 real_cost = -250.571 ROBETTA_TS4 costs 45.113 real_cost = -256.930 ROBETTA_TS3-scwrl costs 43.182 real_cost = -220.204 ROBETTA_TS3 costs 43.182 real_cost = -221.806 ROBETTA_TS2-scwrl costs 46.515 real_cost = -257.648 ROBETTA_TS2 costs 46.515 real_cost = -249.952 ROBETTA_TS1-scwrl costs 42.711 real_cost = -223.990 ROBETTA_TS1 costs 42.711 real_cost = -227.253 RAPTOR_TS5-scwrl costs 48.532 real_cost = -174.924 RAPTOR_TS5 costs 48.532 real_cost = -173.418 RAPTOR_TS4-scwrl costs 46.411 real_cost = -130.437 RAPTOR_TS4 costs 46.411 real_cost = -134.275 RAPTOR_TS3-scwrl costs 61.277 real_cost = -118.333 RAPTOR_TS3 costs 61.277 real_cost = -108.700 RAPTOR_TS2-scwrl costs 47.195 real_cost = -195.868 RAPTOR_TS2 costs 47.195 real_cost = -189.701 RAPTOR_TS1-scwrl costs 45.264 real_cost = -254.732 RAPTOR_TS1 costs 45.264 real_cost = -243.276 RAPTORESS_TS5-scwrl costs 59.380 real_cost = -139.979 RAPTORESS_TS5 costs 59.380 real_cost = -138.199 RAPTORESS_TS4-scwrl costs 51.873 real_cost = -121.416 RAPTORESS_TS4 costs 51.873 real_cost = -109.413 RAPTORESS_TS3-scwrl costs 64.146 real_cost = -82.137 RAPTORESS_TS3 costs 64.146 real_cost = -83.567 RAPTORESS_TS2-scwrl costs 53.177 real_cost = -180.098 RAPTORESS_TS2 costs 53.177 real_cost = -172.192 RAPTORESS_TS1-scwrl costs 44.100 real_cost = -207.326 RAPTORESS_TS1 costs 44.100 real_cost = -207.576 RAPTOR-ACE_TS5-scwrl costs 54.680 real_cost = -169.225 RAPTOR-ACE_TS5 costs 54.680 real_cost = -161.059 RAPTOR-ACE_TS4-scwrl costs 54.680 real_cost = -169.225 RAPTOR-ACE_TS4 costs 54.680 real_cost = -161.059 RAPTOR-ACE_TS3-scwrl costs 45.204 real_cost = -279.662 RAPTOR-ACE_TS3 costs 45.204 real_cost = -261.916 RAPTOR-ACE_TS2-scwrl costs 45.776 real_cost = -273.768 RAPTOR-ACE_TS2 costs 45.776 real_cost = -254.697 RAPTOR-ACE_TS1-scwrl costs 45.776 real_cost = -273.768 RAPTOR-ACE_TS1 costs 45.776 real_cost = -254.697 Pmodeller6_TS5-scwrl costs 44.311 real_cost = -155.075 Pmodeller6_TS5 costs 44.311 real_cost = -155.075 Pmodeller6_TS4-scwrl costs 46.515 real_cost = -257.648 Pmodeller6_TS4 costs 46.515 real_cost = -249.952 Pmodeller6_TS3-scwrl costs 49.108 real_cost = -274.904 Pmodeller6_TS3 costs 49.108 real_cost = -277.792 Pmodeller6_TS2-scwrl costs 57.377 real_cost = -76.825 Pmodeller6_TS2 costs 57.397 real_cost = -84.193 Pmodeller6_TS1-scwrl costs 59.476 real_cost = -280.673 Pmodeller6_TS1 costs 59.476 real_cost = -282.328 Phyre-2_TS5-scwrl costs 74.414 real_cost = -44.306 Phyre-2_TS5 costs 74.414 real_cost = -37.712 Phyre-2_TS3-scwrl costs 53.283 real_cost = -173.672 Phyre-2_TS3 costs 53.283 real_cost = -163.471 Phyre-2_TS2-scwrl costs 75.194 real_cost = -161.824 Phyre-2_TS2 costs 75.194 real_cost = -153.996 Phyre-2_TS1-scwrl costs 51.363 real_cost = -169.540 Phyre-2_TS1 costs 51.363 real_cost = -160.486 Phyre-1_TS1-scwrl costs 55.644 real_cost = -143.422 Phyre-1_TS1 costs 55.751 real_cost = -146.317 Pcons6_TS5-scwrl costs 52.601 real_cost = -290.168 Pcons6_TS5 costs 52.548 real_cost = -297.125 Pcons6_TS4-scwrl costs 42.837 real_cost = -254.739 Pcons6_TS4 costs 42.837 real_cost = -254.742 Pcons6_TS3-scwrl costs 44.494 real_cost = -283.763 Pcons6_TS3 costs 44.494 real_cost = -283.770 Pcons6_TS2-scwrl costs 44.572 real_cost = -282.331 Pcons6_TS2 costs 44.572 real_cost = -282.345 Pcons6_TS1-scwrl costs 52.601 real_cost = -290.168 Pcons6_TS1 costs 52.548 real_cost = -297.125 PROTINFO_TS5-scwrl costs 56.870 real_cost = -249.077 PROTINFO_TS5 costs 56.870 real_cost = -268.563 PROTINFO_TS4-scwrl costs 44.695 real_cost = -280.156 PROTINFO_TS4 costs 44.695 real_cost = -279.773 PROTINFO_TS3-scwrl costs 54.602 real_cost = -251.149 PROTINFO_TS3 costs 54.602 real_cost = -264.414 PROTINFO_TS2-scwrl costs 51.724 real_cost = -259.444 PROTINFO_TS2 costs 51.724 real_cost = -269.001 PROTINFO_TS1-scwrl costs 51.765 real_cost = -256.987 PROTINFO_TS1 costs 51.765 real_cost = -259.629 PROTINFO-AB_TS5-scwrl costs 61.336 real_cost = -230.019 PROTINFO-AB_TS5 costs 61.336 real_cost = -249.914 PROTINFO-AB_TS4-scwrl costs 59.243 real_cost = -241.580 PROTINFO-AB_TS4 costs 59.243 real_cost = -255.301 PROTINFO-AB_TS3-scwrl costs 58.676 real_cost = -243.240 PROTINFO-AB_TS3 costs 58.676 real_cost = -265.227 PROTINFO-AB_TS2-scwrl costs 60.597 real_cost = -242.352 PROTINFO-AB_TS2 costs 60.597 real_cost = -265.627 PROTINFO-AB_TS1-scwrl costs 60.598 real_cost = -233.131 PROTINFO-AB_TS1 costs 60.598 real_cost = -258.459 NN_PUT_lab_TS1-scwrl costs 48.685 real_cost = -250.212 NN_PUT_lab_TS1 costs 48.685 real_cost = -250.955 MetaTasser_TS5-scwrl costs 79.130 real_cost = -105.674 MetaTasser_TS5 costs 79.130 real_cost = -114.018 MetaTasser_TS4-scwrl costs 63.131 real_cost = -196.991 MetaTasser_TS4 costs 63.131 real_cost = -199.286 MetaTasser_TS3-scwrl costs 56.827 real_cost = -209.378 MetaTasser_TS3 costs 56.827 real_cost = -211.306 MetaTasser_TS2-scwrl costs 58.607 real_cost = -198.326 MetaTasser_TS2 costs 58.607 real_cost = -203.362 MetaTasser_TS1-scwrl costs 54.579 real_cost = -231.619 MetaTasser_TS1 costs 54.579 real_cost = -228.850 Ma-OPUS-server_TS5-scwrl costs 51.662 real_cost = -158.259 Ma-OPUS-server_TS5 costs 51.662 real_cost = -149.430 Ma-OPUS-server_TS4-scwrl costs 50.512 real_cost = -163.412 Ma-OPUS-server_TS4 costs 50.512 real_cost = -159.545 Ma-OPUS-server_TS3-scwrl costs 47.456 real_cost = -202.736 Ma-OPUS-server_TS3 costs 47.456 real_cost = -207.339 Ma-OPUS-server_TS2-scwrl costs 47.248 real_cost = -269.802 Ma-OPUS-server_TS2 costs 47.248 real_cost = -259.189 Ma-OPUS-server_TS1-scwrl costs 44.272 real_cost = -258.811 Ma-OPUS-server_TS1 costs 44.272 real_cost = -253.218 Ma-OPUS-server2_TS5-scwrl costs 46.319 real_cost = -147.356 Ma-OPUS-server2_TS5 costs 46.319 real_cost = -115.217 Ma-OPUS-server2_TS4-scwrl costs 42.811 real_cost = -210.363 Ma-OPUS-server2_TS4 costs 42.811 real_cost = -211.745 Ma-OPUS-server2_TS3-scwrl costs 41.704 real_cost = -139.943 Ma-OPUS-server2_TS3 costs 41.704 real_cost = -132.378 Ma-OPUS-server2_TS2-scwrl costs 48.860 real_cost = -167.381 Ma-OPUS-server2_TS2 costs 48.860 real_cost = -159.621 Ma-OPUS-server2_TS1-scwrl costs 47.248 real_cost = -269.802 Ma-OPUS-server2_TS1 costs 47.248 real_cost = -259.189 MIG_FROST_AL1-scwrl costs 43.596 real_cost = -265.547 MIG_FROST_AL1 costs 43.596 real_cost = -198.683 LOOPP_TS5-scwrl costs 55.969 real_cost = -151.342 LOOPP_TS5 costs 55.969 real_cost = -137.588 LOOPP_TS4-scwrl costs 51.294 real_cost = -187.426 LOOPP_TS4 costs 51.294 real_cost = -187.724 LOOPP_TS3-scwrl costs 55.333 real_cost = -194.973 LOOPP_TS3 costs 55.333 real_cost = -188.040 LOOPP_TS2-scwrl costs 48.288 real_cost = -228.569 LOOPP_TS2 costs 48.288 real_cost = -231.813 LOOPP_TS1-scwrl costs 48.685 real_cost = -250.212 LOOPP_TS1 costs 48.685 real_cost = -250.955 Huber-Torda-Server_TS5-scwrl costs 69.983 real_cost = -16.397 Huber-Torda-Server_TS5 costs 69.983 real_cost = 18.584 Huber-Torda-Server_TS4-scwrl costs 62.085 real_cost = -103.421 Huber-Torda-Server_TS4 costs 62.085 real_cost = -112.307 Huber-Torda-Server_TS3-scwrl costs 64.360 real_cost = -162.375 Huber-Torda-Server_TS3 costs 64.360 real_cost = -117.241 Huber-Torda-Server_TS2-scwrl costs 72.764 real_cost = -187.050 Huber-Torda-Server_TS2 costs 72.764 real_cost = -147.758 Huber-Torda-Server_TS1-scwrl costs 44.240 real_cost = -263.432 Huber-Torda-Server_TS1 costs 44.240 real_cost = -212.724 HHpred3_TS1-scwrl costs 38.998 real_cost = -261.289 HHpred3_TS1 costs 38.998 real_cost = -252.679 HHpred2_TS1-scwrl costs 37.507 real_cost = -274.959 HHpred2_TS1 costs 37.507 real_cost = -273.372 HHpred1_TS1-scwrl costs 40.109 real_cost = -278.663 HHpred1_TS1 costs 40.109 real_cost = -268.724 GeneSilicoMetaServer_TS5-scwrl costs 58.413 real_cost = -168.652 GeneSilicoMetaServer_TS5 costs 58.413 real_cost = -171.837 GeneSilicoMetaServer_TS4-scwrl costs 47.151 real_cost = -136.862 GeneSilicoMetaServer_TS4 costs 47.151 real_cost = -136.444 GeneSilicoMetaServer_TS3-scwrl costs 45.102 real_cost = -165.448 GeneSilicoMetaServer_TS3 costs 45.102 real_cost = -153.492 GeneSilicoMetaServer_TS2-scwrl costs 43.814 real_cost = -265.446 GeneSilicoMetaServer_TS2 costs 43.814 real_cost = -254.136 GeneSilicoMetaServer_TS1-scwrl costs 44.321 real_cost = -274.773 GeneSilicoMetaServer_TS1 costs 44.321 real_cost = -257.723 FUNCTION_TS5-scwrl costs 53.660 real_cost = -189.913 FUNCTION_TS5 costs 53.660 real_cost = -162.364 FUNCTION_TS4-scwrl costs 54.352 real_cost = -205.242 FUNCTION_TS4 costs 54.352 real_cost = -202.131 FUNCTION_TS3-scwrl costs 57.279 real_cost = -235.899 FUNCTION_TS3 costs 57.279 real_cost = -229.501 FUNCTION_TS2-scwrl costs 63.079 real_cost = -182.672 FUNCTION_TS2 costs 63.079 real_cost = -183.857 FUNCTION_TS1-scwrl costs 47.251 real_cost = -246.576 FUNCTION_TS1 costs 47.251 real_cost = -242.897 FUGUE_AL5-scwrl costs 49.081 real_cost = -83.175 FUGUE_AL5 costs 49.549 real_cost = -19.959 FUGUE_AL4-scwrl costs 68.571 real_cost = 97.252 FUGUE_AL4 costs 68.571 real_cost = 96.370 FUGUE_AL3-scwrl costs 64.844 real_cost = -150.748 FUGUE_AL3 costs 64.844 real_cost = -96.165 FUGUE_AL2-scwrl costs 54.675 real_cost = -226.558 FUGUE_AL2 costs 54.678 real_cost = -157.733 FUGUE_AL1-scwrl costs 55.505 real_cost = -157.732 FUGUE_AL1 costs 55.505 real_cost = -106.923 FUGMOD_TS5-scwrl costs 50.862 real_cost = -84.860 FUGMOD_TS5 costs 50.869 real_cost = -83.784 FUGMOD_TS4-scwrl costs 46.484 real_cost = 15.395 FUGMOD_TS4 costs 46.484 real_cost = 9.842 FUGMOD_TS3-scwrl costs 56.772 real_cost = -151.806 FUGMOD_TS3 costs 56.772 real_cost = -144.840 FUGMOD_TS2-scwrl costs 52.550 real_cost = -206.648 FUGMOD_TS2 costs 52.464 real_cost = -193.952 FUGMOD_TS1-scwrl costs 51.091 real_cost = -179.569 FUGMOD_TS1 costs 51.091 real_cost = -190.882 FPSOLVER-SERVER_TS5-scwrl costs 146.992 real_cost = 277.190 FPSOLVER-SERVER_TS5 costs 146.992 real_cost = 277.964 FPSOLVER-SERVER_TS4-scwrl costs 167.305 real_cost = 311.800 FPSOLVER-SERVER_TS4 costs 167.305 real_cost = 310.662 FPSOLVER-SERVER_TS3-scwrl costs 173.305 real_cost = 326.693 FPSOLVER-SERVER_TS3 costs 173.305 real_cost = 326.608 FPSOLVER-SERVER_TS2-scwrl costs 151.069 real_cost = 266.300 FPSOLVER-SERVER_TS2 costs 151.069 real_cost = 280.926 FPSOLVER-SERVER_TS1-scwrl costs 161.614 real_cost = 298.453 FPSOLVER-SERVER_TS1 costs 161.614 real_cost = 301.635 FORTE2_AL5-scwrl costs 63.654 real_cost = -107.265 FORTE2_AL5 costs 63.654 real_cost = -54.171 FORTE2_AL4-scwrl costs 51.064 real_cost = -71.698 FORTE2_AL4 costs 50.977 real_cost = -17.118 FORTE2_AL3-scwrl costs 57.060 real_cost = -127.613 FORTE2_AL3 costs 56.966 real_cost = -77.236 FORTE2_AL2-scwrl costs 57.099 real_cost = -234.390 FORTE2_AL2 costs 57.338 real_cost = -166.544 FORTE2_AL1-scwrl costs 43.234 real_cost = -282.848 FORTE2_AL1 costs 43.234 real_cost = -218.154 FORTE1_AL5-scwrl costs 55.015 real_cost = -103.630 FORTE1_AL5 costs 55.015 real_cost = -110.013 FORTE1_AL4-scwrl costs 51.064 real_cost = -71.698 FORTE1_AL4 costs 50.977 real_cost = -17.118 FORTE1_AL3-scwrl costs 57.060 real_cost = -127.613 FORTE1_AL3 costs 56.966 real_cost = -77.236 FORTE1_AL2-scwrl costs 57.099 real_cost = -234.390 FORTE1_AL2 costs 57.338 real_cost = -166.544 FORTE1_AL1-scwrl costs 43.234 real_cost = -282.848 FORTE1_AL1 costs 43.234 real_cost = -218.154 FOLDpro_TS5-scwrl costs 42.949 real_cost = -275.529 FOLDpro_TS5 costs 42.949 real_cost = -267.695 FOLDpro_TS4-scwrl costs 46.846 real_cost = -255.129 FOLDpro_TS4 costs 46.846 real_cost = -246.967 FOLDpro_TS3-scwrl costs 43.968 real_cost = -263.776 FOLDpro_TS3 costs 43.968 real_cost = -248.169 FOLDpro_TS2-scwrl costs 50.074 real_cost = -253.822 FOLDpro_TS2 costs 50.074 real_cost = -249.686 FOLDpro_TS1-scwrl costs 39.078 real_cost = -272.928 FOLDpro_TS1 costs 39.078 real_cost = -254.890 FAMS_TS5-scwrl costs 52.008 real_cost = -288.429 FAMS_TS5 costs 52.024 real_cost = -275.027 FAMS_TS4-scwrl costs 50.586 real_cost = -284.541 FAMS_TS4 costs 50.551 real_cost = -266.003 FAMS_TS3-scwrl costs 59.423 real_cost = -241.701 FAMS_TS3 costs 59.438 real_cost = -239.140 FAMS_TS2-scwrl costs 50.902 real_cost = -248.497 FAMS_TS2 costs 50.902 real_cost = -253.361 FAMS_TS1-scwrl costs 55.881 real_cost = -191.010 FAMS_TS1 costs 55.881 real_cost = -187.286 FAMSD_TS5-scwrl costs 46.561 real_cost = -280.988 FAMSD_TS5 costs 46.510 real_cost = -287.776 FAMSD_TS4-scwrl costs 49.463 real_cost = -277.107 FAMSD_TS4 costs 49.468 real_cost = -259.519 FAMSD_TS3-scwrl costs 44.855 real_cost = -302.311 FAMSD_TS3 costs 44.870 real_cost = -283.138 FAMSD_TS2-scwrl costs 50.586 real_cost = -284.541 FAMSD_TS2 costs 50.551 real_cost = -266.003 FAMSD_TS1-scwrl costs 44.819 real_cost = -257.951 FAMSD_TS1 costs 44.819 real_cost = -254.293 Distill_TS5-scwrl costs 236.500 real_cost = 109.453 Distill_TS4-scwrl costs 234.520 real_cost = 106.617 Distill_TS3-scwrl costs 229.718 real_cost = 112.690 Distill_TS2-scwrl costs 231.796 real_cost = 95.244 Distill_TS1-scwrl costs 236.028 real_cost = 100.470 CaspIta-FOX_TS5-scwrl costs 53.873 real_cost = -209.851 CaspIta-FOX_TS5 costs 53.787 real_cost = -209.094 CaspIta-FOX_TS4-scwrl costs 64.825 real_cost = -143.311 CaspIta-FOX_TS4 costs 64.831 real_cost = -146.693 CaspIta-FOX_TS3-scwrl costs 49.243 real_cost = -258.803 CaspIta-FOX_TS3 costs 49.243 real_cost = -255.508 CaspIta-FOX_TS2-scwrl costs 47.584 real_cost = -271.659 CaspIta-FOX_TS2 costs 47.584 real_cost = -271.607 CaspIta-FOX_TS1-scwrl costs 43.234 real_cost = -282.848 CaspIta-FOX_TS1 costs 43.234 real_cost = -285.326 CPHmodels_TS1-scwrl costs 52.924 real_cost = -256.129 CPHmodels_TS1 costs 52.921 real_cost = -265.360 CIRCLE_TS5-scwrl costs 60.697 real_cost = -205.868 CIRCLE_TS5 costs 60.610 real_cost = -177.576 CIRCLE_TS4-scwrl costs 59.423 real_cost = -241.701 CIRCLE_TS4 costs 59.438 real_cost = -239.140 CIRCLE_TS3-scwrl costs 52.008 real_cost = -288.429 CIRCLE_TS3 costs 52.024 real_cost = -275.027 CIRCLE_TS2-scwrl costs 50.902 real_cost = -248.497 CIRCLE_TS2 costs 50.902 real_cost = -253.361 CIRCLE_TS1-scwrl costs 54.264 real_cost = -205.055 CIRCLE_TS1 costs 54.264 real_cost = -208.448 Bilab-ENABLE_TS5-scwrl costs 55.942 real_cost = -167.872 Bilab-ENABLE_TS5 costs 55.942 real_cost = -167.872 Bilab-ENABLE_TS4-scwrl costs 50.827 real_cost = -195.303 Bilab-ENABLE_TS4 costs 50.827 real_cost = -195.303 Bilab-ENABLE_TS3-scwrl costs 51.558 real_cost = -193.212 Bilab-ENABLE_TS3 costs 51.558 real_cost = -193.212 Bilab-ENABLE_TS2-scwrl costs 44.330 real_cost = -148.243 Bilab-ENABLE_TS2 costs 44.330 real_cost = -148.243 Bilab-ENABLE_TS1-scwrl costs 53.730 real_cost = -186.323 Bilab-ENABLE_TS1 costs 53.730 real_cost = -186.323 BayesHH_TS1-scwrl costs 36.421 real_cost = -251.377 BayesHH_TS1 costs 36.421 real_cost = -248.319 ABIpro_TS5-scwrl costs 78.424 real_cost = 193.088 ABIpro_TS5 costs 78.424 real_cost = 193.105 ABIpro_TS4-scwrl costs 93.743 real_cost = 194.694 ABIpro_TS4 costs 93.743 real_cost = 193.257 ABIpro_TS3-scwrl costs 73.030 real_cost = 188.918 ABIpro_TS3 costs 73.030 real_cost = 188.918 ABIpro_TS2-scwrl costs 79.036 real_cost = 183.238 ABIpro_TS2 costs 79.036 real_cost = 183.238 ABIpro_TS1-scwrl costs 81.749 real_cost = 162.676 ABIpro_TS1 costs 81.749 real_cost = 162.676 3Dpro_TS5-scwrl costs 43.968 real_cost = -263.776 3Dpro_TS5 costs 43.968 real_cost = -248.169 3Dpro_TS4-scwrl costs 46.846 real_cost = -255.129 3Dpro_TS4 costs 46.846 real_cost = -246.967 3Dpro_TS3-scwrl costs 50.074 real_cost = -253.822 3Dpro_TS3 costs 50.074 real_cost = -249.686 3Dpro_TS2-scwrl costs 39.078 real_cost = -272.928 3Dpro_TS2 costs 39.078 real_cost = -254.890 3Dpro_TS1-scwrl costs 45.986 real_cost = -263.013 3Dpro_TS1 costs 45.986 real_cost = -252.307 3D-JIGSAW_TS5-scwrl costs 61.907 real_cost = -113.369 3D-JIGSAW_TS5 costs 61.907 real_cost = -92.045 3D-JIGSAW_TS4-scwrl costs 53.262 real_cost = -272.504 3D-JIGSAW_TS4 costs 53.211 real_cost = -267.010 3D-JIGSAW_TS3-scwrl costs 53.299 real_cost = -253.444 3D-JIGSAW_TS3 costs 53.222 real_cost = -235.889 3D-JIGSAW_TS2-scwrl costs 53.961 real_cost = -259.897 3D-JIGSAW_TS2 costs 53.883 real_cost = -253.876 3D-JIGSAW_TS1-scwrl costs 45.109 real_cost = -275.537 3D-JIGSAW_TS1 costs 45.040 real_cost = -259.052 3D-JIGSAW_RECOM_TS5-scwrl costs 50.132 real_cost = -271.929 3D-JIGSAW_RECOM_TS5 costs 50.064 real_cost = -274.369 3D-JIGSAW_RECOM_TS4-scwrl costs 65.108 real_cost = -255.190 3D-JIGSAW_RECOM_TS4 costs 65.010 real_cost = -264.395 3D-JIGSAW_RECOM_TS3-scwrl costs 49.543 real_cost = -297.601 3D-JIGSAW_RECOM_TS3 costs 49.474 real_cost = -291.326 3D-JIGSAW_RECOM_TS2-scwrl costs 53.262 real_cost = -272.504 3D-JIGSAW_RECOM_TS2 costs 53.211 real_cost = -275.715 3D-JIGSAW_RECOM_TS1-scwrl costs 61.070 real_cost = -228.311 3D-JIGSAW_RECOM_TS1 costs 61.001 real_cost = -257.672 3D-JIGSAW_POPULUS_TS5-scwrl costs 50.566 real_cost = -252.240 3D-JIGSAW_POPULUS_TS5 costs 50.515 real_cost = -258.483 3D-JIGSAW_POPULUS_TS4-scwrl costs 46.497 real_cost = -271.520 3D-JIGSAW_POPULUS_TS4 costs 46.497 real_cost = -271.524 3D-JIGSAW_POPULUS_TS3-scwrl costs 48.211 real_cost = -266.729 3D-JIGSAW_POPULUS_TS3 costs 48.211 real_cost = -266.750 3D-JIGSAW_POPULUS_TS2-scwrl costs 44.018 real_cost = -261.760 3D-JIGSAW_POPULUS_TS2 costs 44.018 real_cost = -261.761 3D-JIGSAW_POPULUS_TS1-scwrl costs 43.370 real_cost = -260.045 3D-JIGSAW_POPULUS_TS1 costs 43.370 real_cost = -260.046 T0340.try9-opt2.repack-nonPC.pdb.gz costs 46.912 real_cost = -244.566 T0340.try9-opt2.pdb.gz costs 46.912 real_cost = -236.643 T0340.try9-opt2.gromacs0.repack-nonPC.pdb.gz costs 43.088 real_cost = -238.801 T0340.try9-opt2.gromacs0.pdb.gz costs 43.088 real_cost = -232.183 T0340.try9-opt1.pdb.gz costs 46.903 real_cost = -235.806 T0340.try9-opt1-scwrl.pdb.gz costs 46.903 real_cost = -240.287 T0340.try8-opt2.repack-nonPC.pdb.gz costs 46.895 real_cost = -238.482 T0340.try8-opt2.pdb.gz costs 46.315 real_cost = -234.761 T0340.try8-opt2.gromacs0.repack-nonPC.pdb.gz costs 43.387 real_cost = -240.497 T0340.try8-opt2.gromacs0.pdb.gz costs 43.387 real_cost = -236.680 T0340.try8-opt1.pdb.gz costs 46.370 real_cost = -236.708 T0340.try8-opt1-scwrl.pdb.gz costs 46.370 real_cost = -240.075 T0340.try7-opt2.repack-nonPC.pdb.gz costs 46.721 real_cost = -238.775 T0340.try7-opt2.pdb.gz costs 46.721 real_cost = -235.585 T0340.try7-opt2.gromacs0.repack-nonPC.pdb.gz costs 44.345 real_cost = -241.450 T0340.try7-opt2.gromacs0.pdb.gz costs 44.345 real_cost = -230.841 T0340.try7-opt1.pdb.gz costs 43.446 real_cost = -235.775 T0340.try7-opt1-scwrl.pdb.gz costs 43.446 real_cost = -250.886 T0340.try6-opt2.repack-nonPC.pdb.gz costs 45.154 real_cost = -244.567 T0340.try6-opt2.pdb.gz costs 45.154 real_cost = -237.422 T0340.try6-opt2.gromacs0.repack-nonPC.pdb.gz costs 43.205 real_cost = -237.220 T0340.try6-opt2.gromacs0.pdb.gz costs 43.205 real_cost = -233.168 T0340.try6-opt1.pdb.gz costs 43.507 real_cost = -239.070 T0340.try6-opt1-scwrl.pdb.gz costs 43.507 real_cost = -250.754 T0340.try4-opt2.repack-nonPC.pdb.gz costs 43.857 real_cost = -245.128 T0340.try4-opt2.pdb.gz costs 43.857 real_cost = -239.455 T0340.try4-opt2.gromacs0.pdb.gz costs 43.352 real_cost = -234.491 T0340.try4-opt1.pdb.gz costs 43.446 real_cost = -239.742 T0340.try4-opt1-scwrl.pdb.gz costs 43.446 real_cost = -248.334 T0340.try3-opt2.repack-nonPC.pdb.gz costs 46.072 real_cost = -235.780 T0340.try3-opt2.pdb.gz costs 46.072 real_cost = -235.519 T0340.try3-opt2.gromacs0.pdb.gz costs 44.031 real_cost = -236.633 T0340.try3-opt1.pdb.gz costs 44.215 real_cost = -239.616 T0340.try3-opt1-scwrl.pdb.gz costs 44.215 real_cost = -246.771 T0340.try2-opt2.repack-nonPC.pdb.gz costs 45.363 real_cost = -244.048 T0340.try2-opt2.pdb.gz costs 45.363 real_cost = -237.057 T0340.try2-opt2.gromacs0.pdb.gz costs 42.584 real_cost = -235.297 T0340.try2-opt1.pdb.gz costs 43.446 real_cost = -239.442 T0340.try2-opt1-scwrl.pdb.gz costs 43.446 real_cost = -251.201 T0340.try12-opt2.repack-nonPC.pdb.gz costs 78.302 real_cost = -185.801 T0340.try12-opt2.pdb.gz costs 78.302 real_cost = -178.876 T0340.try12-opt2.gromacs0.repack-nonPC.pdb.gz costs 51.415 real_cost = -188.770 T0340.try12-opt2.gromacs0.pdb.gz costs 51.415 real_cost = -182.696 T0340.try12-opt1.pdb.gz costs 81.123 real_cost = -178.449 T0340.try12-opt1-scwrl.pdb.gz costs 81.123 real_cost = -178.716 T0340.try11-opt2.repack-nonPC.pdb.gz costs 48.577 real_cost = -244.951 T0340.try11-opt2.pdb.gz costs 48.577 real_cost = -236.758 T0340.try11-opt2.gromacs0.repack-nonPC.pdb.gz costs 43.734 real_cost = -243.769 T0340.try11-opt2.gromacs0.pdb.gz costs 43.734 real_cost = -232.124 T0340.try11-opt1.pdb.gz costs 48.577 real_cost = -236.259 T0340.try11-opt1-scwrl.pdb.gz costs 48.577 real_cost = -241.108 T0340.try1-opt2.repack-nonPC.pdb.gz costs 43.446 real_cost = -240.055 T0340.try1-opt2.pdb.gz costs 43.446 real_cost = -240.585 T0340.try1-opt2.gromacs0.repack-nonPC.pdb.gz costs 43.166 real_cost = -244.818 T0340.try1-opt2.gromacs0.pdb.gz costs 43.166 real_cost = -236.260 T0340.try1-opt1.pdb.gz costs 43.123 real_cost = -239.765 T0340.try1-opt1-scwrl.pdb.gz costs 43.123 real_cost = -249.147 ../model5.ts-submitted costs 46.415 real_cost = -268.811 ../model4.ts-submitted costs 78.616 real_cost = -178.874 ../model3.ts-submitted costs 43.446 real_cost = -240.603 ../model2.ts-submitted costs 43.205 real_cost = -237.201 ../model1.ts-submitted costs 48.577 real_cost = -236.675 align5 costs 79.339 real_cost = -141.944 align4 costs 55.121 real_cost = -176.520 align3 costs 70.202 real_cost = -166.262 align2 costs 63.289 real_cost = -166.323 align1 costs 43.840 real_cost = -268.796 T0340.try1-opt2.pdb costs 43.446 real_cost = -240.571 model5-scwrl costs 46.503 real_cost = -289.398 model5.ts-submitted costs 46.415 real_cost = -268.811 model4-scwrl costs 78.616 real_cost = -181.996 model4.ts-submitted costs 78.616 real_cost = -178.874 model3-scwrl costs 43.446 real_cost = -246.474 model3.ts-submitted costs 43.446 real_cost = -240.603 model2-scwrl costs 43.205 real_cost = -242.760 model2.ts-submitted costs 43.205 real_cost = -237.201 model1-scwrl costs 48.577 real_cost = -242.004 model1.ts-submitted costs 48.577 real_cost = -236.675 2he4A costs 39.508 real_cost = -892.600 # command:CPU_time= 202.102 sec, elapsed time= 395.200 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/T0340'