make[1]: Entering directory `/projects/compbio/experiments/protein-predict/casp7/T0283' /projects/compbio/experiments/protein-predict/casp7/starter-directory/Make.main:725: SECONDARY_TARGET = T0283.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/T0283.} ;\ 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/T0283/ -e s/START_COL/1/ \ -e s/COSTFCN/anglevector/ \ -e s/_domain// \ -e s/read-pdb/read-pdb+servers/ \ -e s/REAL_PDB/2hh6A/ \ < /projects/compbio/experiments/protein-predict/casp7/starter-directory/evaluate.under \ | nice -2 /cse/grads/jarchie/projects/cvs/karplus/undertaker/undertaker # command:# Seed set to 1182673583 # 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= 6.949 sec, elapsed time= 7.241 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= 7.038 sec, elapsed time= 7.530 sec. # command:# Prefix for input files set to # command:# Making conformation for sequence T0283 numbered 1 through 112 Created new target T0283 from T0283.a2m # command:# command:# No conformations to remove in PopConform # command:# cleared Id set # command:# command:2hh6A expands to /projects/compbio/data/pdb/2hh6.pdb.gz 2hh6A:Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 86, because occupancy 0.5 <= existing 0.500 in 2hh6A Skipped atom 90, because occupancy 0.500 <= existing 0.500 in 2hh6A Skipped atom 92, because occupancy 0.500 <= existing 0.500 in 2hh6A Skipped atom 94, because occupancy 0.500 <= existing 0.500 in 2hh6A Skipped atom 96, because occupancy 0.500 <= existing 0.500 in 2hh6A Skipped atom 135, because occupancy 0.500 <= existing 0.500 in 2hh6A Skipped atom 139, because occupancy 0.500 <= existing 0.500 in 2hh6A Skipped atom 141, because occupancy 0.500 <= existing 0.500 in 2hh6A Skipped atom 143, because occupancy 0.500 <= existing 0.500 in 2hh6A Skipped atom 145, because occupancy 0.500 <= existing 0.500 in 2hh6A Skipped atom 147, because occupancy 0.500 <= existing 0.500 in 2hh6A Skipped atom 149, because occupancy 0.500 <= existing 0.500 in 2hh6A Skipped atom 151, because occupancy 0.500 <= existing 0.500 in 2hh6A Skipped atom 153, because occupancy 0.500 <= existing 0.500 in 2hh6A Skipped atom 155, because occupancy 0.500 <= existing 0.500 in 2hh6A Skipped atom 157, because occupancy 0.500 <= existing 0.500 in 2hh6A Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 306, because occupancy 0.500 <= existing 0.500 in 2hh6A Skipped atom 310, because occupancy 0.500 <= existing 0.500 in 2hh6A Skipped atom 312, because occupancy 0.500 <= existing 0.500 in 2hh6A Skipped atom 314, because occupancy 0.500 <= existing 0.500 in 2hh6A Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 388, because occupancy 0.500 <= existing 0.500 in 2hh6A Skipped atom 392, because occupancy 0.500 <= existing 0.500 in 2hh6A Skipped atom 394, because occupancy 0.500 <= existing 0.500 in 2hh6A Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Read 112 residues and 888 atoms. # choosing archetypes in rotamer library # WARNING: incomplete conformation T0283 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= 12.450 sec, elapsed time= 14.128 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 97 # copying to AlignedFragments data structure # command:Warning: Couldn't open file decoys/model1.gdt for output # fraction of real conformation used = 1.000 # GDT_score = -33.036 # GDT_score(maxd=8.000,maxw=2.900)= -30.782 # GDT_score(maxd=8.000,maxw=3.200)= -29.669 # GDT_score(maxd=8.000,maxw=3.500)= -28.582 # GDT_score(maxd=10.000,maxw=3.800)= -31.371 # GDT_score(maxd=10.000,maxw=4.000)= -30.582 # GDT_score(maxd=10.000,maxw=4.200)= -29.849 # GDT_score(maxd=12.000,maxw=4.300)= -32.744 # GDT_score(maxd=12.000,maxw=4.500)= -31.963 # GDT_score(maxd=12.000,maxw=4.700)= -31.209 # GDT_score(maxd=14.000,maxw=5.200)= -32.036 # GDT_score(maxd=14.000,maxw=5.500)= -30.851 # command:# Prefix for output files set to # command:Warning: Couldn't open file T0283.model1-real.pdb for output Error: Couldn't open file T0283.model1-real.pdb for output superimposing iter= 0 total_weight= 1335.000 rmsd (weighted)= 13.384 (unweighted)= 15.799 superimposing iter= 1 total_weight= 3159.674 rmsd (weighted)= 6.472 (unweighted)= 15.890 superimposing iter= 2 total_weight= 1617.199 rmsd (weighted)= 4.670 (unweighted)= 15.988 superimposing iter= 3 total_weight= 1088.685 rmsd (weighted)= 4.159 (unweighted)= 16.053 superimposing iter= 4 total_weight= 955.719 rmsd (weighted)= 3.967 (unweighted)= 16.097 superimposing iter= 5 total_weight= 916.877 rmsd (weighted)= 3.868 (unweighted)= 16.126 EXPDTA model1.ts-submitted MODEL 1 REMARK 44 REMARK 44 model 1 is called model1.ts-submitted ATOM 1 N MET A 1 29.129 16.345 -3.023 1.00 0.00 ATOM 2 CA MET A 1 30.261 17.313 -3.061 1.00 0.00 ATOM 3 CB MET A 1 29.743 18.729 -2.924 1.00 0.00 ATOM 4 CG MET A 1 28.961 19.185 -4.132 1.00 0.00 ATOM 5 SD MET A 1 28.844 20.990 -3.909 1.00 0.00 ATOM 6 CE MET A 1 27.680 21.217 -5.309 1.00 0.00 ATOM 7 O MET A 1 30.918 16.423 -0.955 1.00 0.00 ATOM 8 C MET A 1 31.241 17.126 -1.905 1.00 0.00 ATOM 9 N SER A 2 32.464 17.495 -2.140 1.00 0.00 ATOM 10 CA SER A 2 33.479 17.270 -1.117 1.00 0.00 ATOM 11 CB SER A 2 34.814 17.762 -1.448 1.00 0.00 ATOM 12 OG SER A 2 34.763 19.082 -1.912 1.00 0.00 ATOM 13 O SER A 2 33.295 17.526 1.275 1.00 0.00 ATOM 14 C SER A 2 33.075 18.015 0.161 1.00 0.00 ATOM 15 N PHE A 3 32.474 19.196 -0.008 1.00 0.00 ATOM 16 CA PHE A 3 32.020 19.977 1.140 1.00 0.00 ATOM 17 CB PHE A 3 31.525 21.360 0.698 1.00 0.00 ATOM 18 CG PHE A 3 32.561 22.190 0.000 1.00 0.00 ATOM 19 CD1 PHE A 3 32.189 23.118 -0.964 1.00 0.00 ATOM 20 CD2 PHE A 3 33.917 22.039 0.298 1.00 0.00 ATOM 21 CE1 PHE A 3 33.147 23.892 -1.627 1.00 0.00 ATOM 22 CE2 PHE A 3 34.881 22.803 -0.358 1.00 0.00 ATOM 23 CZ PHE A 3 34.494 23.731 -1.326 1.00 0.00 ATOM 24 O PHE A 3 30.768 19.246 3.064 1.00 0.00 ATOM 25 C PHE A 3 30.876 19.240 1.831 1.00 0.00 ATOM 26 N ILE A 4 30.062 18.557 1.027 1.00 0.00 ATOM 27 CA ILE A 4 28.930 17.804 1.549 1.00 0.00 ATOM 28 CB ILE A 4 27.975 17.336 0.444 1.00 0.00 ATOM 29 CG1 ILE A 4 27.442 18.570 -0.297 1.00 0.00 ATOM 30 CG2 ILE A 4 26.819 16.566 1.061 1.00 0.00 ATOM 31 CD1 ILE A 4 26.670 18.232 -1.553 1.00 0.00 ATOM 32 O ILE A 4 28.985 16.359 3.476 1.00 0.00 ATOM 33 C ILE A 4 29.458 16.624 2.367 1.00 0.00 ATOM 34 N GLU A 5 30.428 15.915 1.806 1.00 0.00 ATOM 35 CA GLU A 5 31.010 14.769 2.498 1.00 0.00 ATOM 36 CB GLU A 5 31.925 13.987 1.694 1.00 0.00 ATOM 37 CG GLU A 5 31.146 13.187 0.650 1.00 0.00 ATOM 38 CD GLU A 5 32.039 12.489 -0.358 1.00 0.00 ATOM 39 OE1 GLU A 5 33.276 12.513 -0.185 1.00 0.00 ATOM 40 OE2 GLU A 5 31.502 11.904 -1.316 1.00 0.00 ATOM 41 O GLU A 5 31.634 14.627 4.802 1.00 0.00 ATOM 42 C GLU A 5 31.718 15.261 3.750 1.00 0.00 ATOM 43 N LYS A 6 32.454 16.358 3.629 1.00 0.00 ATOM 44 CA LYS A 6 33.152 16.903 4.784 1.00 0.00 ATOM 45 CB LYS A 6 34.047 18.072 4.367 1.00 0.00 ATOM 46 CG LYS A 6 35.200 17.642 3.482 1.00 0.00 ATOM 47 CD LYS A 6 36.092 18.816 3.099 1.00 0.00 ATOM 48 CE LYS A 6 37.213 18.356 2.179 1.00 0.00 ATOM 49 NZ LYS A 6 38.070 19.490 1.747 1.00 0.00 ATOM 50 O LYS A 6 32.393 17.153 7.048 1.00 0.00 ATOM 51 C LYS A 6 32.147 17.313 5.852 1.00 0.00 ATOM 52 N MET A 7 30.981 17.822 5.412 1.00 0.00 ATOM 53 CA MET A 7 29.947 18.245 6.346 1.00 0.00 ATOM 54 CB MET A 7 28.744 18.779 5.602 1.00 0.00 ATOM 55 CG MET A 7 29.021 20.151 5.070 1.00 0.00 ATOM 56 SD MET A 7 29.421 21.412 6.237 1.00 0.00 ATOM 57 CE MET A 7 27.921 21.599 7.174 1.00 0.00 ATOM 58 O MET A 7 29.088 17.177 8.330 1.00 0.00 ATOM 59 C MET A 7 29.359 17.068 7.115 1.00 0.00 ATOM 60 N ILE A 8 29.161 15.940 6.433 1.00 0.00 ATOM 61 CA ILE A 8 28.647 14.747 7.087 1.00 0.00 ATOM 62 CB ILE A 8 28.449 13.616 6.031 1.00 0.00 ATOM 63 CG1 ILE A 8 27.307 13.965 5.069 1.00 0.00 ATOM 64 CG2 ILE A 8 28.185 12.282 6.734 1.00 0.00 ATOM 65 CD1 ILE A 8 27.280 13.062 3.832 1.00 0.00 ATOM 66 O ILE A 8 29.179 14.026 9.313 1.00 0.00 ATOM 67 C ILE A 8 29.604 14.311 8.193 1.00 0.00 ATOM 68 N GLY A 9 30.953 14.332 7.846 1.00 0.00 ATOM 69 CA GLY A 9 31.998 14.018 8.825 1.00 0.00 ATOM 70 O GLY A 9 32.303 14.537 11.146 1.00 0.00 ATOM 71 C GLY A 9 32.025 14.963 10.025 1.00 0.00 ATOM 72 N SER A 10 31.760 16.171 9.840 1.00 0.00 ATOM 73 CA SER A 10 31.682 17.227 10.853 1.00 0.00 ATOM 74 CB SER A 10 33.067 17.830 11.109 1.00 0.00 ATOM 75 OG SER A 10 33.022 18.771 12.168 1.00 0.00 ATOM 76 O SER A 10 31.128 19.163 9.562 1.00 0.00 ATOM 77 C SER A 10 30.732 18.290 10.329 1.00 0.00 ATOM 78 N LEU A 11 29.480 18.221 10.758 1.00 0.00 ATOM 79 CA LEU A 11 28.476 19.172 10.298 1.00 0.00 ATOM 80 CB LEU A 11 27.043 18.262 10.818 1.00 0.00 ATOM 81 CG LEU A 11 26.932 16.732 10.953 1.00 0.00 ATOM 82 CD1 LEU A 11 27.171 16.060 9.628 1.00 0.00 ATOM 83 CD2 LEU A 11 27.903 16.189 11.953 1.00 0.00 ATOM 84 O LEU A 11 28.076 21.526 10.452 1.00 0.00 ATOM 85 C LEU A 11 28.657 20.546 10.917 1.00 0.00 ATOM 86 N ASN A 12 29.527 20.640 11.999 1.00 0.00 ATOM 87 CA ASN A 12 29.763 21.919 12.658 1.00 0.00 ATOM 88 CB ASN A 12 30.150 21.737 14.112 1.00 0.00 ATOM 89 CG ASN A 12 29.020 21.131 14.923 1.00 0.00 ATOM 90 ND2 ASN A 12 29.371 20.324 15.917 1.00 0.00 ATOM 91 OD1 ASN A 12 27.846 21.397 14.666 1.00 0.00 ATOM 92 O ASN A 12 31.154 23.852 12.433 1.00 0.00 ATOM 93 C ASN A 12 30.834 22.759 11.969 1.00 0.00 ATOM 94 N ASP A 13 31.397 22.197 10.868 1.00 0.00 ATOM 95 CA ASP A 13 32.421 22.934 10.131 1.00 0.00 ATOM 96 CB ASP A 13 33.360 21.974 9.364 1.00 0.00 ATOM 97 CG ASP A 13 34.521 22.659 8.689 1.00 0.00 ATOM 98 OD1 ASP A 13 34.388 23.836 8.317 1.00 0.00 ATOM 99 OD2 ASP A 13 35.569 22.020 8.506 1.00 0.00 ATOM 100 O ASP A 13 31.255 23.702 8.165 1.00 0.00 ATOM 101 C ASP A 13 31.723 23.984 9.269 1.00 0.00 ATOM 102 N LYS A 14 31.637 25.259 9.826 1.00 0.00 ATOM 103 CA LYS A 14 30.953 26.354 9.151 1.00 0.00 ATOM 104 CB LYS A 14 31.438 27.632 10.243 1.00 0.00 ATOM 105 CG LYS A 14 31.869 27.156 11.648 1.00 0.00 ATOM 106 CD LYS A 14 32.614 28.232 12.434 1.00 0.00 ATOM 107 CE LYS A 14 33.271 27.674 13.711 1.00 0.00 ATOM 108 NZ LYS A 14 33.195 26.186 13.821 1.00 0.00 ATOM 109 O LYS A 14 30.899 27.138 6.893 1.00 0.00 ATOM 110 C LYS A 14 31.595 26.744 7.823 1.00 0.00 ATOM 111 N ARG A 15 32.918 26.650 7.734 1.00 0.00 ATOM 112 CA ARG A 15 33.657 26.997 6.523 1.00 0.00 ATOM 113 CB ARG A 15 35.106 26.908 6.661 1.00 0.00 ATOM 114 CG ARG A 15 35.897 27.667 5.577 1.00 0.00 ATOM 115 CD ARG A 15 37.390 27.546 5.868 1.00 0.00 ATOM 116 NE ARG A 15 38.201 28.547 5.176 1.00 0.00 ATOM 117 CZ ARG A 15 38.585 28.439 3.907 1.00 0.00 ATOM 118 NH1 ARG A 15 38.226 27.382 3.190 1.00 0.00 ATOM 119 NH2 ARG A 15 39.360 29.372 3.368 1.00 0.00 ATOM 120 O ARG A 15 33.073 26.554 4.242 1.00 0.00 ATOM 121 C ARG A 15 33.263 26.086 5.367 1.00 0.00 ATOM 122 N GLU A 16 33.153 24.811 5.638 1.00 0.00 ATOM 123 CA GLU A 16 32.790 23.877 4.570 1.00 0.00 ATOM 124 CB GLU A 16 32.800 22.467 5.092 1.00 0.00 ATOM 125 CG GLU A 16 34.271 22.030 5.301 1.00 0.00 ATOM 126 CD GLU A 16 34.406 20.781 6.104 1.00 0.00 ATOM 127 OE1 GLU A 16 33.497 20.276 6.764 1.00 0.00 ATOM 128 OE2 GLU A 16 35.513 20.195 6.049 1.00 0.00 ATOM 129 O GLU A 16 31.162 24.275 2.834 1.00 0.00 ATOM 130 C GLU A 16 31.397 24.230 4.059 1.00 0.00 ATOM 131 N TRP A 17 30.519 24.458 4.988 1.00 0.00 ATOM 132 CA TRP A 17 29.136 24.796 4.613 1.00 0.00 ATOM 133 CB TRP A 17 28.301 24.831 5.968 1.00 0.00 ATOM 134 CG TRP A 17 26.789 25.141 5.831 1.00 0.00 ATOM 135 CD1 TRP A 17 25.749 24.214 5.795 1.00 0.00 ATOM 136 CD2 TRP A 17 26.170 26.445 5.733 1.00 0.00 ATOM 137 CE2 TRP A 17 24.747 26.243 5.660 1.00 0.00 ATOM 138 CE3 TRP A 17 26.668 27.742 5.669 1.00 0.00 ATOM 139 NE1 TRP A 17 24.539 24.881 5.696 1.00 0.00 ATOM 140 CZ2 TRP A 17 23.876 27.315 5.563 1.00 0.00 ATOM 141 CZ3 TRP A 17 25.758 28.813 5.597 1.00 0.00 ATOM 142 CH2 TRP A 17 24.414 28.587 5.549 1.00 0.00 ATOM 143 O TRP A 17 28.357 26.158 2.854 1.00 0.00 ATOM 144 C TRP A 17 29.080 26.101 3.856 1.00 0.00 ATOM 145 N LYS A 18 29.821 27.089 4.302 1.00 0.00 ATOM 146 CA LYS A 18 29.831 28.380 3.576 1.00 0.00 ATOM 147 CB LYS A 18 30.751 29.306 4.312 1.00 0.00 ATOM 148 CG LYS A 18 30.143 29.849 5.566 1.00 0.00 ATOM 149 CD LYS A 18 31.118 30.730 6.346 1.00 0.00 ATOM 150 CE LYS A 18 30.377 31.336 7.533 1.00 0.00 ATOM 151 NZ LYS A 18 31.265 32.227 8.312 1.00 0.00 ATOM 152 O LYS A 18 29.799 28.768 1.212 1.00 0.00 ATOM 153 C LYS A 18 30.368 28.227 2.156 1.00 0.00 ATOM 154 N ALA A 19 31.456 27.477 1.992 1.00 0.00 ATOM 155 CA ALA A 19 32.029 27.266 0.671 1.00 0.00 ATOM 156 CB ALA A 19 33.339 26.474 0.806 1.00 0.00 ATOM 157 O ALA A 19 30.950 26.813 -1.418 1.00 0.00 ATOM 158 C ALA A 19 31.038 26.528 -0.229 1.00 0.00 ATOM 159 N MET A 20 30.303 25.570 0.345 1.00 0.00 ATOM 160 CA MET A 20 29.332 24.809 -0.442 1.00 0.00 ATOM 161 CB MET A 20 28.671 23.714 0.429 1.00 0.00 ATOM 162 CG MET A 20 27.555 22.948 -0.302 1.00 0.00 ATOM 163 SD MET A 20 26.885 21.597 0.693 1.00 0.00 ATOM 164 CE MET A 20 26.194 22.466 1.868 1.00 0.00 ATOM 165 O MET A 20 27.795 25.568 -2.140 1.00 0.00 ATOM 166 C MET A 20 28.226 25.717 -0.996 1.00 0.00 ATOM 167 N GLU A 21 27.770 26.662 -0.177 1.00 0.00 ATOM 168 CA GLU A 21 26.742 27.591 -0.628 1.00 0.00 ATOM 169 CB GLU A 21 26.150 28.439 0.462 1.00 0.00 ATOM 170 CG GLU A 21 25.336 27.614 1.448 1.00 0.00 ATOM 171 CD GLU A 21 24.232 26.775 0.801 1.00 0.00 ATOM 172 OE1 GLU A 21 23.540 27.255 -0.128 1.00 0.00 ATOM 173 OE2 GLU A 21 24.048 25.618 1.234 1.00 0.00 ATOM 174 O GLU A 21 26.627 28.724 -2.741 1.00 0.00 ATOM 175 C GLU A 21 27.314 28.445 -1.759 1.00 0.00 ATOM 176 N ALA A 22 28.564 28.860 -1.603 1.00 0.00 ATOM 177 CA ALA A 22 29.212 29.662 -2.637 1.00 0.00 ATOM 178 CB ALA A 22 30.614 30.033 -2.178 1.00 0.00 ATOM 179 O ALA A 22 29.046 29.376 -5.023 1.00 0.00 ATOM 180 C ALA A 22 29.291 28.854 -3.931 1.00 0.00 ATOM 181 N ARG A 23 29.594 27.569 -3.801 1.00 0.00 ATOM 182 CA ARG A 23 29.703 26.677 -4.954 1.00 0.00 ATOM 183 CB ARG A 23 30.329 25.349 -4.456 1.00 0.00 ATOM 184 CG ARG A 23 30.487 24.312 -5.548 1.00 0.00 ATOM 185 CD ARG A 23 31.319 23.122 -5.105 1.00 0.00 ATOM 186 NE ARG A 23 31.345 22.141 -6.188 1.00 0.00 ATOM 187 CZ ARG A 23 32.247 21.177 -6.329 1.00 0.00 ATOM 188 NH1 ARG A 23 33.236 21.023 -5.445 1.00 0.00 ATOM 189 NH2 ARG A 23 32.178 20.385 -7.403 1.00 0.00 ATOM 190 O ARG A 23 28.356 26.261 -6.883 1.00 0.00 ATOM 191 C ARG A 23 28.410 26.421 -5.659 1.00 0.00 ATOM 192 N ALA A 24 27.342 26.340 -4.839 1.00 0.00 ATOM 193 CA ALA A 24 26.029 26.096 -5.361 1.00 0.00 ATOM 194 CB ALA A 24 25.005 26.021 -4.237 1.00 0.00 ATOM 195 O ALA A 24 25.215 26.939 -7.457 1.00 0.00 ATOM 196 C ALA A 24 25.659 27.206 -6.339 1.00 0.00 ATOM 197 N LYS A 25 25.868 28.447 -5.924 1.00 0.00 ATOM 198 CA LYS A 25 25.553 29.594 -6.763 1.00 0.00 ATOM 199 CB LYS A 25 25.667 30.894 -5.996 1.00 0.00 ATOM 200 CG LYS A 25 25.337 32.134 -6.815 1.00 0.00 ATOM 201 CD LYS A 25 23.916 32.076 -7.358 1.00 0.00 ATOM 202 CE LYS A 25 23.585 33.319 -8.171 1.00 0.00 ATOM 203 NZ LYS A 25 22.216 33.262 -8.756 1.00 0.00 ATOM 204 O LYS A 25 26.099 30.033 -9.065 1.00 0.00 ATOM 205 C LYS A 25 26.518 29.794 -7.927 1.00 0.00 ATOM 206 N ALA A 26 27.820 29.705 -7.649 1.00 0.00 ATOM 207 CA ALA A 26 28.817 29.884 -8.692 1.00 0.00 ATOM 208 CB ALA A 26 30.204 29.743 -8.082 1.00 0.00 ATOM 209 O ALA A 26 28.956 29.132 -10.975 1.00 0.00 ATOM 210 C ALA A 26 28.710 28.831 -9.803 1.00 0.00 ATOM 211 N LEU A 27 28.393 27.593 -9.430 1.00 0.00 ATOM 212 CA LEU A 27 28.271 26.495 -10.396 1.00 0.00 ATOM 213 CB LEU A 27 28.813 25.186 -9.815 1.00 0.00 ATOM 214 CG LEU A 27 30.324 25.150 -9.557 1.00 0.00 ATOM 215 CD1 LEU A 27 30.706 23.865 -8.833 1.00 0.00 ATOM 216 CD2 LEU A 27 31.082 25.248 -10.881 1.00 0.00 ATOM 217 O LEU A 27 26.431 25.214 -11.300 1.00 0.00 ATOM 218 C LEU A 27 26.845 26.306 -10.906 1.00 0.00 ATOM 219 N PRO A 28 25.891 27.456 -10.990 1.00 0.00 ATOM 220 CA PRO A 28 24.503 27.325 -11.431 1.00 0.00 ATOM 221 CB PRO A 28 24.532 27.785 -12.892 1.00 0.00 ATOM 222 CG PRO A 28 25.920 27.485 -13.348 1.00 0.00 ATOM 223 CD PRO A 28 26.810 27.717 -12.159 1.00 0.00 ATOM 224 O PRO A 28 23.527 25.288 -12.269 1.00 0.00 ATOM 225 C PRO A 28 24.046 25.872 -11.316 1.00 0.00 ATOM 226 N LYS A 29 24.237 25.295 -10.133 1.00 0.00 ATOM 227 CA LYS A 29 23.862 23.910 -9.874 1.00 0.00 ATOM 228 CB LYS A 29 24.306 23.492 -8.476 1.00 0.00 ATOM 229 CG LYS A 29 24.119 22.011 -8.195 1.00 0.00 ATOM 230 CD LYS A 29 24.592 21.648 -6.798 1.00 0.00 ATOM 231 CE LYS A 29 24.630 20.141 -6.609 1.00 0.00 ATOM 232 NZ LYS A 29 25.590 19.496 -7.549 1.00 0.00 ATOM 233 O LYS A 29 21.645 24.628 -9.283 1.00 0.00 ATOM 234 C LYS A 29 22.350 23.734 -9.755 1.00 0.00 ATOM 235 N GLU A 30 21.862 22.570 -10.172 1.00 0.00 ATOM 236 CA GLU A 30 20.441 22.256 -10.098 1.00 0.00 ATOM 237 CB GLU A 30 20.165 20.873 -10.690 1.00 0.00 ATOM 238 CG GLU A 30 18.691 20.511 -10.759 1.00 0.00 ATOM 239 CD GLU A 30 18.453 19.143 -11.374 1.00 0.00 ATOM 240 OE1 GLU A 30 19.442 18.500 -11.785 1.00 0.00 ATOM 241 OE2 GLU A 30 17.281 18.715 -11.440 1.00 0.00 ATOM 242 O GLU A 30 20.398 21.383 -7.873 1.00 0.00 ATOM 243 C GLU A 30 20.008 22.265 -8.635 1.00 0.00 ATOM 244 N TYR A 31 19.187 23.314 -8.231 1.00 0.00 ATOM 245 CA TYR A 31 18.791 23.330 -6.827 1.00 0.00 ATOM 246 CB TYR A 31 18.183 24.728 -6.457 1.00 0.00 ATOM 247 CG TYR A 31 19.078 25.913 -6.760 1.00 0.00 ATOM 248 CD1 TYR A 31 20.476 25.807 -6.737 1.00 0.00 ATOM 249 CD2 TYR A 31 18.518 27.157 -7.057 1.00 0.00 ATOM 250 CE1 TYR A 31 21.294 26.922 -7.025 1.00 0.00 ATOM 251 CE2 TYR A 31 19.316 28.269 -7.322 1.00 0.00 ATOM 252 CZ TYR A 31 20.700 28.145 -7.308 1.00 0.00 ATOM 253 OH TYR A 31 21.487 29.237 -7.581 1.00 0.00 ATOM 254 O TYR A 31 17.969 21.607 -5.328 1.00 0.00 ATOM 255 C TYR A 31 17.943 22.124 -6.470 1.00 0.00 ATOM 256 N HIS A 32 17.166 21.574 -7.437 1.00 0.00 ATOM 257 CA HIS A 32 16.373 20.377 -7.165 1.00 0.00 ATOM 258 CB HIS A 32 15.425 20.107 -8.367 1.00 0.00 ATOM 259 CG HIS A 32 14.563 18.919 -8.175 1.00 0.00 ATOM 260 CD2 HIS A 32 14.799 17.641 -8.589 1.00 0.00 ATOM 261 ND1 HIS A 32 13.360 18.936 -7.549 1.00 0.00 ATOM 262 CE1 HIS A 32 12.874 17.719 -7.608 1.00 0.00 ATOM 263 NE2 HIS A 32 13.687 16.897 -8.225 1.00 0.00 ATOM 264 O HIS A 32 16.885 18.441 -5.809 1.00 0.00 ATOM 265 C HIS A 32 17.225 19.159 -6.759 1.00 0.00 ATOM 266 N HIS A 33 18.289 18.980 -7.460 1.00 0.00 ATOM 267 CA HIS A 33 19.171 17.871 -7.101 1.00 0.00 ATOM 268 CB HIS A 33 20.318 17.763 -8.105 1.00 0.00 ATOM 269 CG HIS A 33 21.224 16.596 -7.860 1.00 0.00 ATOM 270 CD2 HIS A 33 22.595 16.424 -7.403 1.00 0.00 ATOM 271 ND1 HIS A 33 20.828 15.291 -8.060 1.00 0.00 ATOM 272 CE1 HIS A 33 21.850 14.471 -7.759 1.00 0.00 ATOM 273 NE2 HIS A 33 22.915 15.145 -7.363 1.00 0.00 ATOM 274 O HIS A 33 19.835 17.170 -4.907 1.00 0.00 ATOM 275 C HIS A 33 19.714 18.103 -5.694 1.00 0.00 ATOM 276 N ALA A 34 20.029 19.356 -5.382 1.00 0.00 ATOM 277 CA ALA A 34 20.547 19.687 -4.055 1.00 0.00 ATOM 278 CB ALA A 34 21.037 21.181 -4.106 1.00 0.00 ATOM 279 O ALA A 34 19.795 18.839 -1.900 1.00 0.00 ATOM 280 C ALA A 34 19.497 19.360 -2.985 1.00 0.00 ATOM 281 N TYR A 35 18.263 19.623 -3.347 1.00 0.00 ATOM 282 CA TYR A 35 17.147 19.332 -2.447 1.00 0.00 ATOM 283 CB TYR A 35 15.846 19.934 -3.060 1.00 0.00 ATOM 284 CG TYR A 35 14.649 19.811 -2.150 1.00 0.00 ATOM 285 CD1 TYR A 35 14.479 20.679 -1.071 1.00 0.00 ATOM 286 CD2 TYR A 35 13.699 18.810 -2.350 1.00 0.00 ATOM 287 CE1 TYR A 35 13.387 20.545 -0.207 1.00 0.00 ATOM 288 CE2 TYR A 35 12.608 18.670 -1.493 1.00 0.00 ATOM 289 CZ TYR A 35 12.461 19.541 -0.426 1.00 0.00 ATOM 290 OH TYR A 35 11.398 19.392 0.427 1.00 0.00 ATOM 291 O TYR A 35 16.763 17.418 -1.053 1.00 0.00 ATOM 292 C TYR A 35 16.953 17.855 -2.190 1.00 0.00 ATOM 293 N LYS A 36 17.045 17.031 -3.246 1.00 0.00 ATOM 294 CA LYS A 36 16.907 15.601 -3.040 1.00 0.00 ATOM 295 CB LYS A 36 16.875 14.873 -4.393 1.00 0.00 ATOM 296 CG LYS A 36 16.566 13.406 -4.284 1.00 0.00 ATOM 297 CD LYS A 36 16.444 12.806 -5.664 1.00 0.00 ATOM 298 CE LYS A 36 15.941 11.356 -5.624 1.00 0.00 ATOM 299 NZ LYS A 36 16.900 10.442 -4.917 1.00 0.00 ATOM 300 O LYS A 36 17.777 14.269 -1.252 1.00 0.00 ATOM 301 C LYS A 36 18.011 15.083 -2.124 1.00 0.00 ATOM 302 N ALA A 37 19.250 15.578 -2.350 1.00 0.00 ATOM 303 CA ALA A 37 20.358 15.176 -1.495 1.00 0.00 ATOM 304 CB ALA A 37 21.651 15.835 -2.002 1.00 0.00 ATOM 305 O ALA A 37 20.216 14.815 0.871 1.00 0.00 ATOM 306 C ALA A 37 20.070 15.608 -0.055 1.00 0.00 ATOM 307 N ILE A 38 19.623 16.851 0.159 1.00 0.00 ATOM 308 CA ILE A 38 19.305 17.336 1.512 1.00 0.00 ATOM 309 CB ILE A 38 18.867 18.766 1.516 1.00 0.00 ATOM 310 CG1 ILE A 38 18.993 19.329 2.927 1.00 0.00 ATOM 311 CG2 ILE A 38 17.464 18.961 0.990 1.00 0.00 ATOM 312 CD1 ILE A 38 20.421 19.365 3.439 1.00 0.00 ATOM 313 O ILE A 38 18.065 16.496 3.393 1.00 0.00 ATOM 314 C ILE A 38 18.143 16.596 2.173 1.00 0.00 ATOM 315 N GLN A 39 17.257 16.037 1.360 1.00 0.00 ATOM 316 CA GLN A 39 16.101 15.304 1.860 1.00 0.00 ATOM 317 CB GLN A 39 15.219 14.814 0.710 1.00 0.00 ATOM 318 CG GLN A 39 13.980 14.058 1.156 1.00 0.00 ATOM 319 CD GLN A 39 13.121 13.607 -0.008 1.00 0.00 ATOM 320 OE1 GLN A 39 13.490 13.783 -1.169 1.00 0.00 ATOM 321 NE2 GLN A 39 11.969 13.021 0.301 1.00 0.00 ATOM 322 O GLN A 39 16.261 13.974 3.842 1.00 0.00 ATOM 323 C GLN A 39 16.615 14.121 2.669 1.00 0.00 ATOM 324 N LYS A 40 17.488 13.336 2.063 1.00 0.00 ATOM 325 CA LYS A 40 18.032 12.161 2.742 1.00 0.00 ATOM 326 CB LYS A 40 18.864 11.325 1.744 1.00 0.00 ATOM 327 CG LYS A 40 19.575 10.141 2.397 1.00 0.00 ATOM 328 CD LYS A 40 20.303 9.273 1.383 1.00 0.00 ATOM 329 CE LYS A 40 20.991 8.102 2.067 1.00 0.00 ATOM 330 NZ LYS A 40 21.665 7.205 1.089 1.00 0.00 ATOM 331 O LYS A 40 18.833 11.904 4.986 1.00 0.00 ATOM 332 C LYS A 40 18.885 12.555 3.948 1.00 0.00 ATOM 333 N TYR A 41 19.663 13.620 3.810 1.00 0.00 ATOM 334 CA TYR A 41 20.518 14.070 4.903 1.00 0.00 ATOM 335 CB TYR A 41 21.369 15.264 4.504 1.00 0.00 ATOM 336 CG TYR A 41 22.349 15.037 3.362 1.00 0.00 ATOM 337 CD1 TYR A 41 22.813 13.760 3.044 1.00 0.00 ATOM 338 CD2 TYR A 41 22.805 16.105 2.604 1.00 0.00 ATOM 339 CE1 TYR A 41 23.716 13.554 1.971 1.00 0.00 ATOM 340 CE2 TYR A 41 23.715 15.909 1.520 1.00 0.00 ATOM 341 CZ TYR A 41 24.144 14.632 1.226 1.00 0.00 ATOM 342 OH TYR A 41 25.008 14.430 0.154 1.00 0.00 ATOM 343 O TYR A 41 20.026 14.069 7.261 1.00 0.00 ATOM 344 C TYR A 41 19.722 14.489 6.142 1.00 0.00 ATOM 345 N MET A 42 18.674 15.281 5.939 1.00 0.00 ATOM 346 CA MET A 42 17.851 15.727 7.055 1.00 0.00 ATOM 347 CB MET A 42 16.869 16.818 6.490 1.00 0.00 ATOM 348 CG MET A 42 15.933 17.480 7.506 1.00 0.00 ATOM 349 SD MET A 42 14.495 16.488 7.963 1.00 0.00 ATOM 350 CE MET A 42 13.578 16.479 6.411 1.00 0.00 ATOM 351 O MET A 42 16.986 14.589 8.981 1.00 0.00 ATOM 352 C MET A 42 17.154 14.570 7.761 1.00 0.00 ATOM 353 N TRP A 43 16.728 13.593 6.932 1.00 0.00 ATOM 354 CA TRP A 43 16.056 12.433 7.505 1.00 0.00 ATOM 355 CB TRP A 43 15.733 11.443 6.382 1.00 0.00 ATOM 356 CG TRP A 43 15.043 10.200 6.859 1.00 0.00 ATOM 357 CD1 TRP A 43 13.704 10.028 7.054 1.00 0.00 ATOM 358 CD2 TRP A 43 15.664 8.953 7.203 1.00 0.00 ATOM 359 CE2 TRP A 43 14.635 8.073 7.597 1.00 0.00 ATOM 360 CE3 TRP A 43 16.984 8.496 7.213 1.00 0.00 ATOM 361 NE1 TRP A 43 13.448 8.753 7.499 1.00 0.00 ATOM 362 CZ2 TRP A 43 14.886 6.762 7.998 1.00 0.00 ATOM 363 CZ3 TRP A 43 17.230 7.196 7.613 1.00 0.00 ATOM 364 CH2 TRP A 43 16.190 6.343 8.001 1.00 0.00 ATOM 365 O TRP A 43 16.558 11.345 9.588 1.00 0.00 ATOM 366 C TRP A 43 16.995 11.785 8.526 1.00 0.00 ATOM 367 N THR A 44 18.270 11.727 8.202 1.00 0.00 ATOM 368 CA THR A 44 19.262 11.122 9.095 1.00 0.00 ATOM 369 CB THR A 44 20.577 10.829 8.353 1.00 0.00 ATOM 370 CG2 THR A 44 21.587 10.181 9.289 1.00 0.00 ATOM 371 OG1 THR A 44 20.323 9.936 7.260 1.00 0.00 ATOM 372 O THR A 44 19.303 11.572 11.452 1.00 0.00 ATOM 373 C THR A 44 19.469 12.017 10.316 1.00 0.00 ATOM 374 N SER A 45 19.841 13.273 10.080 1.00 0.00 ATOM 375 CA SER A 45 20.079 14.217 11.170 1.00 0.00 ATOM 376 CB SER A 45 21.357 15.080 10.889 1.00 0.00 ATOM 377 OG SER A 45 22.504 14.301 10.652 1.00 0.00 ATOM 378 O SER A 45 18.404 15.840 10.639 1.00 0.00 ATOM 379 C SER A 45 18.796 14.993 11.441 1.00 0.00 ATOM 380 N GLY A 46 18.102 14.681 12.603 1.00 0.00 ATOM 381 CA GLY A 46 16.851 15.330 12.957 1.00 0.00 ATOM 382 O GLY A 46 16.605 17.473 14.063 1.00 0.00 ATOM 383 C GLY A 46 17.061 16.304 14.118 1.00 0.00 ATOM 384 N GLY A 47 17.704 15.885 15.172 1.00 0.00 ATOM 385 CA GLY A 47 17.934 16.707 16.363 1.00 0.00 ATOM 386 O GLY A 47 18.410 18.943 17.029 1.00 0.00 ATOM 387 C GLY A 47 18.774 17.963 16.363 1.00 0.00 ATOM 388 N PRO A 48 19.945 17.910 15.604 1.00 0.00 ATOM 389 CA PRO A 48 20.812 19.091 15.572 1.00 0.00 ATOM 390 CB PRO A 48 22.121 18.443 14.987 1.00 0.00 ATOM 391 CG PRO A 48 21.523 17.576 13.890 1.00 0.00 ATOM 392 CD PRO A 48 20.317 16.968 14.554 1.00 0.00 ATOM 393 O PRO A 48 19.436 20.308 14.016 1.00 0.00 ATOM 394 C PRO A 48 20.330 20.358 14.862 1.00 0.00 ATOM 395 N THR A 49 20.941 21.525 15.244 1.00 0.00 ATOM 396 CA THR A 49 20.553 22.819 14.682 1.00 0.00 ATOM 397 CB THR A 49 21.065 23.931 15.595 1.00 0.00 ATOM 398 CG2 THR A 49 20.655 25.308 15.091 1.00 0.00 ATOM 399 OG1 THR A 49 20.451 23.800 16.891 1.00 0.00 ATOM 400 O THR A 49 20.245 23.554 12.418 1.00 0.00 ATOM 401 C THR A 49 20.983 23.004 13.233 1.00 0.00 ATOM 402 N ASP A 50 22.200 22.571 12.929 1.00 0.00 ATOM 403 CA ASP A 50 22.752 22.737 11.593 1.00 0.00 ATOM 404 CB ASP A 50 24.188 22.209 11.538 1.00 0.00 ATOM 405 CG ASP A 50 25.171 23.117 12.250 1.00 0.00 ATOM 406 OD1 ASP A 50 24.791 24.261 12.578 1.00 0.00 ATOM 407 OD2 ASP A 50 26.321 22.686 12.479 1.00 0.00 ATOM 408 O ASP A 50 21.816 22.568 9.400 1.00 0.00 ATOM 409 C ASP A 50 21.997 22.015 10.485 1.00 0.00 ATOM 410 N TRP A 51 21.564 20.787 10.751 1.00 0.00 ATOM 411 CA TRP A 51 20.869 20.017 9.728 1.00 0.00 ATOM 412 CB TRP A 51 20.637 18.569 10.172 1.00 0.00 ATOM 413 CG TRP A 51 21.981 17.925 9.958 1.00 0.00 ATOM 414 CD1 TRP A 51 23.026 17.915 10.812 1.00 0.00 ATOM 415 CD2 TRP A 51 22.444 17.439 8.670 1.00 0.00 ATOM 416 CE2 TRP A 51 23.800 17.102 8.829 1.00 0.00 ATOM 417 CE3 TRP A 51 21.802 17.276 7.416 1.00 0.00 ATOM 418 NE1 TRP A 51 24.137 17.447 10.126 1.00 0.00 ATOM 419 CZ2 TRP A 51 24.603 16.759 7.686 1.00 0.00 ATOM 420 CZ3 TRP A 51 22.538 16.871 6.294 1.00 0.00 ATOM 421 CH2 TRP A 51 23.943 16.657 6.431 1.00 0.00 ATOM 422 O TRP A 51 19.142 20.614 8.160 1.00 0.00 ATOM 423 C TRP A 51 19.520 20.619 9.332 1.00 0.00 ATOM 424 N GLN A 52 18.811 21.121 10.308 1.00 0.00 ATOM 425 CA GLN A 52 17.507 21.728 10.039 1.00 0.00 ATOM 426 CB GLN A 52 16.748 22.024 11.333 1.00 0.00 ATOM 427 CG GLN A 52 16.262 20.782 12.068 1.00 0.00 ATOM 428 CD GLN A 52 15.616 21.108 13.400 1.00 0.00 ATOM 429 OE1 GLN A 52 15.610 22.259 13.832 1.00 0.00 ATOM 430 NE2 GLN A 52 15.062 20.091 14.051 1.00 0.00 ATOM 431 O GLN A 52 17.009 23.278 8.276 1.00 0.00 ATOM 432 C GLN A 52 17.721 23.013 9.243 1.00 0.00 ATOM 433 N ASP A 53 18.700 23.815 9.652 1.00 0.00 ATOM 434 CA ASP A 53 18.964 25.060 8.942 1.00 0.00 ATOM 435 CB ASP A 53 20.002 25.907 9.659 1.00 0.00 ATOM 436 CG ASP A 53 19.461 26.590 10.891 1.00 0.00 ATOM 437 OD1 ASP A 53 18.218 26.646 11.083 1.00 0.00 ATOM 438 OD2 ASP A 53 20.309 27.068 11.673 1.00 0.00 ATOM 439 O ASP A 53 18.987 25.504 6.594 1.00 0.00 ATOM 440 C ASP A 53 19.377 24.785 7.504 1.00 0.00 ATOM 441 N THR A 54 20.152 23.721 7.303 1.00 0.00 ATOM 442 CA THR A 54 20.595 23.358 5.962 1.00 0.00 ATOM 443 CB THR A 54 21.472 22.109 6.062 1.00 0.00 ATOM 444 CG2 THR A 54 21.995 21.650 4.685 1.00 0.00 ATOM 445 OG1 THR A 54 22.647 22.404 6.850 1.00 0.00 ATOM 446 O THR A 54 19.238 23.543 3.982 1.00 0.00 ATOM 447 C THR A 54 19.355 23.065 5.114 1.00 0.00 ATOM 448 N LYS A 55 18.431 22.280 5.665 1.00 0.00 ATOM 449 CA LYS A 55 17.205 21.934 4.947 1.00 0.00 ATOM 450 CB LYS A 55 16.255 21.151 5.773 1.00 0.00 ATOM 451 CG LYS A 55 14.877 21.052 5.185 1.00 0.00 ATOM 452 CD LYS A 55 13.963 20.295 6.200 1.00 0.00 ATOM 453 CE LYS A 55 12.627 19.918 5.598 1.00 0.00 ATOM 454 NZ LYS A 55 11.923 18.939 6.483 1.00 0.00 ATOM 455 O LYS A 55 15.819 23.256 3.500 1.00 0.00 ATOM 456 C LYS A 55 16.369 23.167 4.597 1.00 0.00 ATOM 457 N ARG A 56 16.256 24.087 5.546 1.00 0.00 ATOM 458 CA ARG A 56 15.504 25.311 5.301 1.00 0.00 ATOM 459 CB ARG A 56 15.464 26.228 6.538 1.00 0.00 ATOM 460 CG ARG A 56 14.422 25.745 7.552 1.00 0.00 ATOM 461 CD ARG A 56 13.941 26.763 8.636 1.00 0.00 ATOM 462 NE ARG A 56 13.758 25.999 9.875 1.00 0.00 ATOM 463 CZ ARG A 56 13.283 26.439 11.035 1.00 0.00 ATOM 464 NH1 ARG A 56 12.897 27.712 11.207 1.00 0.00 ATOM 465 NH2 ARG A 56 13.196 25.583 12.044 1.00 0.00 ATOM 466 O ARG A 56 15.433 26.669 3.315 1.00 0.00 ATOM 467 C ARG A 56 16.135 26.098 4.153 1.00 0.00 ATOM 468 N ILE A 57 17.462 26.124 4.117 1.00 0.00 ATOM 469 CA ILE A 57 18.164 26.835 3.061 1.00 0.00 ATOM 470 CB ILE A 57 19.680 26.798 3.242 1.00 0.00 ATOM 471 CG1 ILE A 57 20.051 27.524 4.539 1.00 0.00 ATOM 472 CG2 ILE A 57 20.376 27.474 2.065 1.00 0.00 ATOM 473 CD1 ILE A 57 19.416 28.887 4.687 1.00 0.00 ATOM 474 O ILE A 57 17.578 26.909 0.738 1.00 0.00 ATOM 475 C ILE A 57 17.864 26.197 1.700 1.00 0.00 ATOM 476 N PHE A 58 17.798 24.869 1.658 1.00 0.00 ATOM 477 CA PHE A 58 17.507 24.160 0.411 1.00 0.00 ATOM 478 CB PHE A 58 17.860 22.672 0.506 1.00 0.00 ATOM 479 CG PHE A 58 19.333 22.388 0.348 1.00 0.00 ATOM 480 CD1 PHE A 58 19.902 22.350 -0.914 1.00 0.00 ATOM 481 CD2 PHE A 58 20.134 22.162 1.445 1.00 0.00 ATOM 482 CE1 PHE A 58 21.259 22.089 -1.068 1.00 0.00 ATOM 483 CE2 PHE A 58 21.484 21.899 1.302 1.00 0.00 ATOM 484 CZ PHE A 58 22.051 21.864 0.033 1.00 0.00 ATOM 485 O PHE A 58 15.823 24.470 -1.264 1.00 0.00 ATOM 486 C PHE A 58 16.076 24.373 -0.064 1.00 0.00 ATOM 487 N GLY A 59 15.145 24.503 0.882 1.00 0.00 ATOM 488 CA GLY A 59 13.745 24.716 0.550 1.00 0.00 ATOM 489 O GLY A 59 12.884 26.115 -1.192 1.00 0.00 ATOM 490 C GLY A 59 13.529 26.049 -0.139 1.00 0.00 ATOM 491 N GLY A 60 14.163 27.105 0.366 1.00 0.00 ATOM 492 CA GLY A 60 14.034 28.432 -0.221 1.00 0.00 ATOM 493 O GLY A 60 13.972 28.982 -2.565 1.00 0.00 ATOM 494 C GLY A 60 14.642 28.457 -1.641 1.00 0.00 ATOM 495 N ILE A 61 15.807 27.947 -1.778 1.00 0.00 ATOM 496 CA ILE A 61 16.504 27.926 -3.098 1.00 0.00 ATOM 497 CB ILE A 61 17.876 27.390 -2.963 1.00 0.00 ATOM 498 CG1 ILE A 61 18.702 27.747 -4.199 1.00 0.00 ATOM 499 CG2 ILE A 61 17.906 25.920 -2.531 1.00 0.00 ATOM 500 CD1 ILE A 61 20.174 27.637 -3.979 1.00 0.00 ATOM 501 O ILE A 61 15.674 27.390 -5.284 1.00 0.00 ATOM 502 C ILE A 61 15.746 27.073 -4.081 1.00 0.00 ATOM 503 N LEU A 62 15.196 25.937 -3.619 1.00 0.00 ATOM 504 CA LEU A 62 14.387 25.075 -4.467 1.00 0.00 ATOM 505 CB LEU A 62 13.970 23.799 -3.698 1.00 0.00 ATOM 506 CG LEU A 62 13.027 22.877 -4.505 1.00 0.00 ATOM 507 CD1 LEU A 62 13.825 22.149 -5.581 1.00 0.00 ATOM 508 CD2 LEU A 62 12.360 21.869 -3.570 1.00 0.00 ATOM 509 O LEU A 62 12.787 25.830 -6.133 1.00 0.00 ATOM 510 C LEU A 62 13.147 25.813 -4.954 1.00 0.00 ATOM 511 N ASP A 63 12.481 26.505 -4.037 1.00 0.00 ATOM 512 CA ASP A 63 11.319 27.324 -4.365 1.00 0.00 ATOM 513 CB ASP A 63 10.672 27.927 -3.116 1.00 0.00 ATOM 514 CG ASP A 63 9.964 26.890 -2.267 1.00 0.00 ATOM 515 OD1 ASP A 63 9.769 25.758 -2.754 1.00 0.00 ATOM 516 OD2 ASP A 63 9.606 27.208 -1.113 1.00 0.00 ATOM 517 O ASP A 63 11.011 28.731 -6.286 1.00 0.00 ATOM 518 C ASP A 63 11.728 28.446 -5.313 1.00 0.00 ATOM 519 N LEU A 64 12.876 29.084 -5.066 1.00 0.00 ATOM 520 CA LEU A 64 13.346 30.172 -5.917 1.00 0.00 ATOM 521 CB LEU A 64 14.563 30.825 -5.339 1.00 0.00 ATOM 522 CG LEU A 64 15.265 31.846 -6.219 1.00 0.00 ATOM 523 CD1 LEU A 64 14.396 32.998 -6.269 1.00 0.00 ATOM 524 CD2 LEU A 64 16.660 32.135 -5.617 1.00 0.00 ATOM 525 O LEU A 64 13.199 30.206 -8.313 1.00 0.00 ATOM 526 C LEU A 64 13.638 29.637 -7.315 1.00 0.00 ATOM 527 N PHE A 65 14.366 28.513 -7.384 1.00 0.00 ATOM 528 CA PHE A 65 14.730 27.917 -8.663 1.00 0.00 ATOM 529 CB PHE A 65 15.613 26.694 -8.421 1.00 0.00 ATOM 530 CG PHE A 65 16.037 25.992 -9.682 1.00 0.00 ATOM 531 CD1 PHE A 65 17.063 26.497 -10.462 1.00 0.00 ATOM 532 CD2 PHE A 65 15.407 24.824 -10.083 1.00 0.00 ATOM 533 CE1 PHE A 65 17.451 25.850 -11.621 1.00 0.00 ATOM 534 CE2 PHE A 65 15.796 24.181 -11.244 1.00 0.00 ATOM 535 CZ PHE A 65 16.814 24.685 -12.009 1.00 0.00 ATOM 536 O PHE A 65 13.425 27.694 -10.647 1.00 0.00 ATOM 537 C PHE A 65 13.495 27.491 -9.433 1.00 0.00 ATOM 538 N GLU A 66 12.607 26.754 -8.786 1.00 0.00 ATOM 539 CA GLU A 66 11.445 26.179 -9.421 1.00 0.00 ATOM 540 CB GLU A 66 10.651 25.350 -8.487 1.00 0.00 ATOM 541 CG GLU A 66 9.407 24.735 -9.101 1.00 0.00 ATOM 542 CD GLU A 66 8.628 23.895 -8.107 1.00 0.00 ATOM 543 OE1 GLU A 66 9.276 23.109 -7.365 1.00 0.00 ATOM 544 OE2 GLU A 66 7.375 24.016 -8.075 1.00 0.00 ATOM 545 O GLU A 66 10.113 27.201 -11.131 1.00 0.00 ATOM 546 C GLU A 66 10.564 27.284 -9.988 1.00 0.00 ATOM 547 N GLU A 67 10.254 28.254 -9.150 1.00 0.00 ATOM 548 CA GLU A 67 9.427 29.370 -9.592 1.00 0.00 ATOM 549 CB GLU A 67 9.079 30.302 -8.424 1.00 0.00 ATOM 550 CG GLU A 67 8.099 29.681 -7.481 1.00 0.00 ATOM 551 CD GLU A 67 6.829 29.256 -8.134 1.00 0.00 ATOM 552 OE1 GLU A 67 6.249 30.047 -8.921 1.00 0.00 ATOM 553 OE2 GLU A 67 6.379 28.126 -7.844 1.00 0.00 ATOM 554 O GLU A 67 9.511 30.521 -11.664 1.00 0.00 ATOM 555 C GLU A 67 10.147 30.105 -10.694 1.00 0.00 ATOM 556 N GLY A 68 11.457 30.310 -10.588 1.00 0.00 ATOM 557 CA GLY A 68 12.197 30.887 -11.681 1.00 0.00 ATOM 558 O GLY A 68 11.672 30.632 -14.010 1.00 0.00 ATOM 559 C GLY A 68 12.054 30.088 -12.952 1.00 0.00 ATOM 560 N ALA A 69 12.152 28.779 -12.820 1.00 0.00 ATOM 561 CA ALA A 69 11.970 27.931 -14.009 1.00 0.00 ATOM 562 CB ALA A 69 12.296 26.477 -13.662 1.00 0.00 ATOM 563 O ALA A 69 10.473 28.245 -15.825 1.00 0.00 ATOM 564 C ALA A 69 10.610 28.071 -14.614 1.00 0.00 ATOM 565 N ALA A 70 9.541 28.110 -13.793 1.00 0.00 ATOM 566 CA ALA A 70 8.227 28.358 -14.334 1.00 0.00 ATOM 567 CB ALA A 70 7.221 28.323 -13.213 1.00 0.00 ATOM 568 O ALA A 70 7.365 29.931 -15.896 1.00 0.00 ATOM 569 C ALA A 70 8.185 29.734 -15.012 1.00 0.00 ATOM 570 N GLU A 71 8.937 30.718 -14.495 1.00 0.00 ATOM 571 CA GLU A 71 8.919 32.069 -15.087 1.00 0.00 ATOM 572 CB GLU A 71 8.801 33.148 -14.001 1.00 0.00 ATOM 573 CG GLU A 71 7.474 33.151 -13.273 1.00 0.00 ATOM 574 CD GLU A 71 6.251 33.297 -14.176 1.00 0.00 ATOM 575 OE1 GLU A 71 6.356 33.823 -15.327 1.00 0.00 ATOM 576 OE2 GLU A 71 5.166 32.885 -13.726 1.00 0.00 ATOM 577 O GLU A 71 10.375 33.433 -16.404 1.00 0.00 ATOM 578 C GLU A 71 10.149 32.310 -15.935 1.00 0.00 ATOM 579 N GLY A 72 10.941 31.268 -16.157 1.00 0.00 ATOM 580 CA GLY A 72 12.100 31.382 -17.023 1.00 0.00 ATOM 581 O GLY A 72 14.179 32.568 -17.038 1.00 0.00 ATOM 582 C GLY A 72 13.312 32.007 -16.362 1.00 0.00 ATOM 583 N LYS A 73 13.318 32.098 -15.036 1.00 0.00 ATOM 584 CA LYS A 73 14.502 32.573 -14.337 1.00 0.00 ATOM 585 CB LYS A 73 14.163 33.181 -12.968 1.00 0.00 ATOM 586 CG LYS A 73 13.157 34.334 -13.003 1.00 0.00 ATOM 587 CD LYS A 73 13.664 35.562 -13.723 1.00 0.00 ATOM 588 CE LYS A 73 12.565 36.629 -13.726 1.00 0.00 ATOM 589 NZ LYS A 73 12.515 37.372 -12.445 1.00 0.00 ATOM 590 O LYS A 73 15.026 30.304 -13.768 1.00 0.00 ATOM 591 C LYS A 73 15.449 31.391 -14.173 1.00 0.00 ATOM 592 N LYS A 74 16.735 31.622 -14.412 1.00 0.00 ATOM 593 CA LYS A 74 17.751 30.565 -14.417 1.00 0.00 ATOM 594 CB LYS A 74 18.066 30.156 -15.871 1.00 0.00 ATOM 595 CG LYS A 74 16.855 29.876 -16.748 1.00 0.00 ATOM 596 CD LYS A 74 16.184 28.559 -16.417 1.00 0.00 ATOM 597 CE LYS A 74 14.786 28.483 -17.055 1.00 0.00 ATOM 598 NZ LYS A 74 14.262 27.090 -17.114 1.00 0.00 ATOM 599 O LYS A 74 19.365 32.124 -13.560 1.00 0.00 ATOM 600 C LYS A 74 18.970 30.950 -13.587 1.00 0.00 ATOM 601 N VAL A 75 19.607 29.969 -12.967 1.00 0.00 ATOM 602 CA VAL A 75 20.853 30.202 -12.236 1.00 0.00 ATOM 603 CB VAL A 75 21.095 28.955 -11.394 1.00 0.00 ATOM 604 CG1 VAL A 75 22.377 29.107 -10.594 1.00 0.00 ATOM 605 CG2 VAL A 75 19.916 28.761 -10.445 1.00 0.00 ATOM 606 O VAL A 75 22.740 31.510 -12.950 1.00 0.00 ATOM 607 C VAL A 75 21.988 30.560 -13.200 1.00 0.00 ATOM 608 N THR A 76 22.080 29.830 -14.312 1.00 0.00 ATOM 609 CA THR A 76 23.114 30.077 -15.323 1.00 0.00 ATOM 610 CB THR A 76 23.159 28.935 -16.354 1.00 0.00 ATOM 611 CG2 THR A 76 24.326 29.118 -17.323 1.00 0.00 ATOM 612 OG1 THR A 76 23.481 27.713 -15.678 1.00 0.00 ATOM 613 O THR A 76 23.907 32.162 -16.205 1.00 0.00 ATOM 614 C THR A 76 22.935 31.431 -16.013 1.00 0.00 ATOM 615 N ASP A 77 21.684 31.794 -16.301 1.00 0.00 ATOM 616 CA ASP A 77 21.394 33.092 -16.901 1.00 0.00 ATOM 617 CB ASP A 77 20.904 32.949 -18.331 1.00 0.00 ATOM 618 CG ASP A 77 19.580 32.175 -18.465 1.00 0.00 ATOM 619 OD1 ASP A 77 19.304 31.285 -17.603 1.00 0.00 ATOM 620 OD2 ASP A 77 18.826 32.434 -19.431 1.00 0.00 ATOM 621 O ASP A 77 19.918 34.967 -16.585 1.00 0.00 ATOM 622 C ASP A 77 20.467 33.992 -16.072 1.00 0.00 ATOM 623 N LEU A 78 20.298 33.664 -14.789 1.00 0.00 ATOM 624 CA LEU A 78 19.451 34.464 -13.907 1.00 0.00 ATOM 625 CB LEU A 78 19.488 33.869 -12.515 1.00 0.00 ATOM 626 CG LEU A 78 18.686 34.658 -11.475 1.00 0.00 ATOM 627 CD1 LEU A 78 17.202 34.561 -11.802 1.00 0.00 ATOM 628 CD2 LEU A 78 18.956 34.102 -10.084 1.00 0.00 ATOM 629 O LEU A 78 21.316 35.881 -13.433 1.00 0.00 ATOM 630 C LEU A 78 20.115 35.818 -13.699 1.00 0.00 ATOM 631 N THR A 79 19.324 36.889 -13.724 1.00 0.00 ATOM 632 CA THR A 79 19.873 38.231 -13.560 1.00 0.00 ATOM 633 CB THR A 79 19.087 39.240 -14.408 1.00 0.00 ATOM 634 CG2 THR A 79 19.125 38.896 -15.888 1.00 0.00 ATOM 635 OG1 THR A 79 17.705 39.230 -14.029 1.00 0.00 ATOM 636 O THR A 79 20.540 39.762 -11.845 1.00 0.00 ATOM 637 C THR A 79 20.055 38.661 -12.113 1.00 0.00 ATOM 638 N GLY A 80 19.724 37.770 -11.079 1.00 0.00 ATOM 639 CA GLY A 80 19.900 38.091 -9.673 1.00 0.00 ATOM 640 O GLY A 80 18.698 38.211 -7.646 1.00 0.00 ATOM 641 C GLY A 80 18.646 38.256 -8.880 1.00 0.00 ATOM 642 N GLU A 81 17.519 38.667 -9.521 1.00 0.00 ATOM 643 CA GLU A 81 16.297 38.923 -8.760 1.00 0.00 ATOM 644 CB GLU A 81 15.254 39.506 -9.715 1.00 0.00 ATOM 645 CG GLU A 81 15.632 40.877 -10.247 1.00 0.00 ATOM 646 CD GLU A 81 14.473 41.555 -10.949 1.00 0.00 ATOM 647 OE1 GLU A 81 13.323 41.371 -10.499 1.00 0.00 ATOM 648 OE2 GLU A 81 14.712 42.277 -11.939 1.00 0.00 ATOM 649 O GLU A 81 15.399 37.786 -6.852 1.00 0.00 ATOM 650 C GLU A 81 15.872 37.682 -7.985 1.00 0.00 ATOM 651 N ASP A 82 16.116 36.521 -8.544 1.00 0.00 ATOM 652 CA ASP A 82 15.757 35.302 -7.828 1.00 0.00 ATOM 653 CB ASP A 82 16.009 34.067 -8.633 1.00 0.00 ATOM 654 CG ASP A 82 14.916 33.833 -9.659 1.00 0.00 ATOM 655 OD1 ASP A 82 14.061 34.724 -9.842 1.00 0.00 ATOM 656 OD2 ASP A 82 14.914 32.754 -10.287 1.00 0.00 ATOM 657 O ASP A 82 16.066 34.559 -5.572 1.00 0.00 ATOM 658 C ASP A 82 16.544 35.170 -6.532 1.00 0.00 ATOM 659 N VAL A 83 17.737 35.778 -6.481 1.00 0.00 ATOM 660 CA VAL A 83 18.547 35.816 -5.263 1.00 0.00 ATOM 661 CB VAL A 83 19.874 36.528 -5.473 1.00 0.00 ATOM 662 CG1 VAL A 83 20.619 36.613 -4.172 1.00 0.00 ATOM 663 CG2 VAL A 83 20.710 35.738 -6.503 1.00 0.00 ATOM 664 O VAL A 83 17.929 35.939 -2.940 1.00 0.00 ATOM 665 C VAL A 83 17.865 36.458 -4.058 1.00 0.00 ATOM 666 N ALA A 84 17.218 37.590 -4.294 1.00 0.00 ATOM 667 CA ALA A 84 16.522 38.303 -3.235 1.00 0.00 ATOM 668 CB ALA A 84 15.871 39.616 -3.787 1.00 0.00 ATOM 669 O ALA A 84 15.249 37.381 -1.417 1.00 0.00 ATOM 670 C ALA A 84 15.437 37.408 -2.632 1.00 0.00 ATOM 671 N ALA A 85 14.729 36.660 -3.478 1.00 0.00 ATOM 672 CA ALA A 85 13.670 35.765 -3.009 1.00 0.00 ATOM 673 CB ALA A 85 12.969 35.124 -4.199 1.00 0.00 ATOM 674 O ALA A 85 13.644 34.332 -1.084 1.00 0.00 ATOM 675 C ALA A 85 14.241 34.672 -2.108 1.00 0.00 ATOM 676 N PHE A 86 15.419 34.108 -2.479 1.00 0.00 ATOM 677 CA PHE A 86 16.042 33.064 -1.670 1.00 0.00 ATOM 678 CB PHE A 86 17.292 32.551 -2.349 1.00 0.00 ATOM 679 CG PHE A 86 18.126 31.628 -1.497 1.00 0.00 ATOM 680 CD1 PHE A 86 17.792 30.279 -1.335 1.00 0.00 ATOM 681 CD2 PHE A 86 19.254 32.116 -0.867 1.00 0.00 ATOM 682 CE1 PHE A 86 18.582 29.465 -0.561 1.00 0.00 ATOM 683 CE2 PHE A 86 20.031 31.290 -0.061 1.00 0.00 ATOM 684 CZ PHE A 86 19.705 29.948 0.052 1.00 0.00 ATOM 685 O PHE A 86 15.999 33.001 0.733 1.00 0.00 ATOM 686 C PHE A 86 16.325 33.629 -0.277 1.00 0.00 ATOM 687 N CYS A 87 16.877 34.840 -0.229 1.00 0.00 ATOM 688 CA CYS A 87 17.239 35.492 1.026 1.00 0.00 ATOM 689 CB CYS A 87 18.029 36.793 0.675 1.00 0.00 ATOM 690 SG CYS A 87 19.717 36.445 0.130 1.00 0.00 ATOM 691 O CYS A 87 16.011 35.685 3.077 1.00 0.00 ATOM 692 C CYS A 87 16.002 35.807 1.847 1.00 0.00 ATOM 693 N ASP A 88 14.963 36.229 1.184 1.00 0.00 ATOM 694 CA ASP A 88 13.702 36.555 1.838 1.00 0.00 ATOM 695 CB ASP A 88 12.667 37.160 0.895 1.00 0.00 ATOM 696 CG ASP A 88 13.010 38.561 0.406 1.00 0.00 ATOM 697 OD1 ASP A 88 13.825 39.295 1.009 1.00 0.00 ATOM 698 OD2 ASP A 88 12.453 38.931 -0.657 1.00 0.00 ATOM 699 O ASP A 88 12.575 35.375 3.597 1.00 0.00 ATOM 700 C ASP A 88 13.098 35.333 2.489 1.00 0.00 ATOM 701 N GLU A 89 13.174 34.177 1.788 1.00 0.00 ATOM 702 CA GLU A 89 12.643 32.930 2.302 1.00 0.00 ATOM 703 CB GLU A 89 12.668 31.803 1.252 1.00 0.00 ATOM 704 CG GLU A 89 11.620 31.935 0.141 1.00 0.00 ATOM 705 CD GLU A 89 10.204 32.121 0.681 1.00 0.00 ATOM 706 OE1 GLU A 89 9.789 31.365 1.587 1.00 0.00 ATOM 707 OE2 GLU A 89 9.497 33.026 0.188 1.00 0.00 ATOM 708 O GLU A 89 12.887 32.066 4.541 1.00 0.00 ATOM 709 C GLU A 89 13.444 32.540 3.545 1.00 0.00 ATOM 710 N LEU A 90 14.743 32.712 3.454 1.00 0.00 ATOM 711 CA LEU A 90 15.599 32.366 4.571 1.00 0.00 ATOM 712 CB LEU A 90 17.066 32.512 4.208 1.00 0.00 ATOM 713 CG LEU A 90 17.513 31.676 3.014 1.00 0.00 ATOM 714 CD1 LEU A 90 19.029 31.864 2.853 1.00 0.00 ATOM 715 CD2 LEU A 90 17.141 30.231 3.183 1.00 0.00 ATOM 716 O LEU A 90 14.974 32.695 6.833 1.00 0.00 ATOM 717 C LEU A 90 15.279 33.235 5.782 1.00 0.00 ATOM 718 N MET A 91 15.073 34.532 5.587 1.00 0.00 ATOM 719 CA MET A 91 14.686 35.453 6.658 1.00 0.00 ATOM 720 CB MET A 91 14.540 36.865 6.140 1.00 0.00 ATOM 721 CG MET A 91 14.211 37.888 7.222 1.00 0.00 ATOM 722 SD MET A 91 15.530 38.131 8.435 1.00 0.00 ATOM 723 CE MET A 91 16.748 38.983 7.439 1.00 0.00 ATOM 724 O MET A 91 13.329 34.877 8.561 1.00 0.00 ATOM 725 C MET A 91 13.403 34.955 7.340 1.00 0.00 ATOM 726 N LYS A 92 12.439 34.551 6.544 1.00 0.00 ATOM 727 CA LYS A 92 11.184 34.047 7.115 1.00 0.00 ATOM 728 CB LYS A 92 10.191 33.721 6.049 1.00 0.00 ATOM 729 CG LYS A 92 9.578 34.984 5.464 1.00 0.00 ATOM 730 CD LYS A 92 8.538 34.724 4.355 1.00 0.00 ATOM 731 CE LYS A 92 7.945 36.048 3.874 1.00 0.00 ATOM 732 NZ LYS A 92 6.948 35.835 2.754 1.00 0.00 ATOM 733 O LYS A 92 11.031 32.558 8.993 1.00 0.00 ATOM 734 C LYS A 92 11.438 32.718 7.841 1.00 0.00 ATOM 735 N ASP A 93 12.273 31.860 7.282 1.00 0.00 ATOM 736 CA ASP A 93 12.547 30.556 7.894 1.00 0.00 ATOM 737 CB ASP A 93 12.503 29.412 6.861 1.00 0.00 ATOM 738 CG ASP A 93 11.087 29.133 6.348 1.00 0.00 ATOM 739 OD1 ASP A 93 10.106 29.597 6.961 1.00 0.00 ATOM 740 OD2 ASP A 93 10.963 28.427 5.327 1.00 0.00 ATOM 741 O ASP A 93 14.107 29.538 9.416 1.00 0.00 ATOM 742 C ASP A 93 13.874 30.472 8.654 1.00 0.00 ATOM 743 N THR A 94 14.736 31.443 8.468 1.00 0.00 ATOM 744 CA THR A 94 16.046 31.453 9.108 1.00 0.00 ATOM 745 CB THR A 94 17.145 31.983 8.405 1.00 0.00 ATOM 746 CG2 THR A 94 18.224 32.455 9.362 1.00 0.00 ATOM 747 OG1 THR A 94 17.628 30.883 7.629 1.00 0.00 ATOM 748 O THR A 94 15.583 32.705 11.109 1.00 0.00 ATOM 749 C THR A 94 15.984 31.653 10.619 1.00 0.00 ATOM 750 N LYS A 95 16.448 30.565 11.353 1.00 0.00 ATOM 751 CA LYS A 95 16.472 30.590 12.813 1.00 0.00 ATOM 752 CB LYS A 95 16.758 29.185 13.351 1.00 0.00 ATOM 753 CG LYS A 95 16.661 29.059 14.861 1.00 0.00 ATOM 754 CD LYS A 95 16.858 27.614 15.308 1.00 0.00 ATOM 755 CE LYS A 95 16.738 27.481 16.819 1.00 0.00 ATOM 756 NZ LYS A 95 16.914 26.073 17.271 1.00 0.00 ATOM 757 O LYS A 95 18.684 31.467 13.000 1.00 0.00 ATOM 758 C LYS A 95 17.531 31.501 13.441 1.00 0.00 ATOM 759 N THR A 96 17.177 32.309 14.475 1.00 0.00 ATOM 760 CA THR A 96 18.082 33.357 14.902 1.00 0.00 ATOM 761 CB THR A 96 17.358 34.465 15.684 1.00 0.00 ATOM 762 CG2 THR A 96 16.260 35.087 14.827 1.00 0.00 ATOM 763 OG1 THR A 96 16.792 33.929 16.888 1.00 0.00 ATOM 764 O THR A 96 20.289 33.499 15.808 1.00 0.00 ATOM 765 C THR A 96 19.276 32.808 15.667 1.00 0.00 ATOM 766 N TRP A 97 19.174 31.579 16.174 1.00 0.00 ATOM 767 CA TRP A 97 20.275 30.980 16.926 1.00 0.00 ATOM 768 CB TRP A 97 19.728 29.735 17.745 1.00 0.00 ATOM 769 CG TRP A 97 20.744 29.207 18.716 1.00 0.00 ATOM 770 CD1 TRP A 97 20.794 29.455 20.067 1.00 0.00 ATOM 771 CD2 TRP A 97 21.883 28.379 18.422 1.00 0.00 ATOM 772 CE2 TRP A 97 22.573 28.166 19.643 1.00 0.00 ATOM 773 CE3 TRP A 97 22.400 27.795 17.250 1.00 0.00 ATOM 774 NE1 TRP A 97 21.883 28.829 20.623 1.00 0.00 ATOM 775 CZ2 TRP A 97 23.745 27.407 19.726 1.00 0.00 ATOM 776 CZ3 TRP A 97 23.565 27.047 17.327 1.00 0.00 ATOM 777 CH2 TRP A 97 24.232 26.855 18.563 1.00 0.00 ATOM 778 O TRP A 97 22.624 30.783 16.454 1.00 0.00 ATOM 779 C TRP A 97 21.486 30.881 15.994 1.00 0.00 ATOM 780 N MET A 98 21.062 30.877 14.667 1.00 0.00 ATOM 781 CA MET A 98 22.085 30.741 13.628 1.00 0.00 ATOM 782 CB MET A 98 21.984 29.474 12.906 1.00 0.00 ATOM 783 CG MET A 98 22.353 28.346 13.849 1.00 0.00 ATOM 784 SD MET A 98 22.246 26.739 13.039 1.00 0.00 ATOM 785 CE MET A 98 23.540 26.942 11.701 1.00 0.00 ATOM 786 O MET A 98 22.369 32.012 11.592 1.00 0.00 ATOM 787 C MET A 98 22.212 32.042 12.817 1.00 0.00 ATOM 788 N ASP A 99 22.049 33.174 13.484 1.00 0.00 ATOM 789 CA ASP A 99 22.136 34.477 12.832 1.00 0.00 ATOM 790 CB ASP A 99 21.823 35.603 13.843 1.00 0.00 ATOM 791 CG ASP A 99 20.337 35.742 14.138 1.00 0.00 ATOM 792 OD1 ASP A 99 19.510 35.383 13.274 1.00 0.00 ATOM 793 OD2 ASP A 99 19.995 36.214 15.240 1.00 0.00 ATOM 794 O ASP A 99 23.611 35.226 11.106 1.00 0.00 ATOM 795 C ASP A 99 23.509 34.721 12.224 1.00 0.00 ATOM 796 N LYS A 100 24.594 34.314 12.939 1.00 0.00 ATOM 797 CA LYS A 100 25.936 34.507 12.408 1.00 0.00 ATOM 798 CB LYS A 100 26.990 34.059 13.381 1.00 0.00 ATOM 799 CG LYS A 100 28.404 34.398 12.943 1.00 0.00 ATOM 800 CD LYS A 100 29.406 33.969 13.988 1.00 0.00 ATOM 801 CE LYS A 100 30.810 34.396 13.607 1.00 0.00 ATOM 802 NZ LYS A 100 31.797 33.944 14.622 1.00 0.00 ATOM 803 O LYS A 100 26.585 34.184 10.082 1.00 0.00 ATOM 804 C LYS A 100 26.150 33.689 11.135 1.00 0.00 ATOM 805 N TYR A 101 25.537 32.454 11.108 1.00 0.00 ATOM 806 CA TYR A 101 25.674 31.582 9.925 1.00 0.00 ATOM 807 CB TYR A 101 25.216 30.170 10.278 1.00 0.00 ATOM 808 CG TYR A 101 26.219 29.466 11.158 1.00 0.00 ATOM 809 CD1 TYR A 101 27.525 29.240 10.711 1.00 0.00 ATOM 810 CD2 TYR A 101 25.877 29.028 12.443 1.00 0.00 ATOM 811 CE1 TYR A 101 28.472 28.585 11.518 1.00 0.00 ATOM 812 CE2 TYR A 101 26.809 28.383 13.245 1.00 0.00 ATOM 813 CZ TYR A 101 28.097 28.168 12.776 1.00 0.00 ATOM 814 OH TYR A 101 29.018 27.498 13.552 1.00 0.00 ATOM 815 O TYR A 101 25.348 32.128 7.616 1.00 0.00 ATOM 816 C TYR A 101 24.856 32.087 8.741 1.00 0.00 ATOM 817 N ARG A 102 23.616 32.487 9.000 1.00 0.00 ATOM 818 CA ARG A 102 22.742 33.010 7.958 1.00 0.00 ATOM 819 CB ARG A 102 21.279 33.140 8.539 1.00 0.00 ATOM 820 CG ARG A 102 20.264 33.758 7.580 1.00 0.00 ATOM 821 CD ARG A 102 19.103 34.463 8.222 1.00 0.00 ATOM 822 NE ARG A 102 19.556 35.513 9.132 1.00 0.00 ATOM 823 CZ ARG A 102 18.833 35.992 10.132 1.00 0.00 ATOM 824 NH1 ARG A 102 17.598 35.561 10.337 1.00 0.00 ATOM 825 NH2 ARG A 102 19.349 36.924 10.913 1.00 0.00 ATOM 826 O ARG A 102 23.179 34.525 6.157 1.00 0.00 ATOM 827 C ARG A 102 23.315 34.280 7.347 1.00 0.00 ATOM 828 N THR A 103 23.815 35.214 8.203 1.00 0.00 ATOM 829 CA THR A 103 24.385 36.477 7.718 1.00 0.00 ATOM 830 CB THR A 103 24.868 37.370 8.878 1.00 0.00 ATOM 831 CG2 THR A 103 25.458 38.662 8.343 1.00 0.00 ATOM 832 OG1 THR A 103 23.768 37.679 9.739 1.00 0.00 ATOM 833 O THR A 103 25.722 36.771 5.745 1.00 0.00 ATOM 834 C THR A 103 25.570 36.165 6.805 1.00 0.00 ATOM 835 N LYS A 104 26.410 35.209 7.209 1.00 0.00 ATOM 836 CA LYS A 104 27.556 34.855 6.381 1.00 0.00 ATOM 837 CB LYS A 104 28.472 33.890 7.040 1.00 0.00 ATOM 838 CG LYS A 104 29.093 34.434 8.306 1.00 0.00 ATOM 839 CD LYS A 104 29.911 35.687 8.029 1.00 0.00 ATOM 840 CE LYS A 104 30.587 36.189 9.299 1.00 0.00 ATOM 841 NZ LYS A 104 31.364 37.442 9.054 1.00 0.00 ATOM 842 O LYS A 104 27.673 34.567 4.007 1.00 0.00 ATOM 843 C LYS A 104 27.085 34.251 5.063 1.00 0.00 ATOM 844 N LEU A 105 26.088 33.405 5.076 1.00 0.00 ATOM 845 CA LEU A 105 25.567 32.815 3.836 1.00 0.00 ATOM 846 CB LEU A 105 24.445 31.834 4.167 1.00 0.00 ATOM 847 CG LEU A 105 23.675 31.287 2.984 1.00 0.00 ATOM 848 CD1 LEU A 105 24.495 30.509 1.993 1.00 0.00 ATOM 849 CD2 LEU A 105 22.537 30.469 3.519 1.00 0.00 ATOM 850 O LEU A 105 25.226 33.903 1.708 1.00 0.00 ATOM 851 C LEU A 105 25.015 33.908 2.921 1.00 0.00 ATOM 852 N ASN A 106 24.218 34.806 3.484 1.00 0.00 ATOM 853 CA ASN A 106 23.664 35.906 2.704 1.00 0.00 ATOM 854 CB ASN A 106 22.847 36.853 3.596 1.00 0.00 ATOM 855 CG ASN A 106 21.430 36.394 3.792 1.00 0.00 ATOM 856 ND2 ASN A 106 20.828 36.793 4.907 1.00 0.00 ATOM 857 OD1 ASN A 106 20.868 35.710 2.942 1.00 0.00 ATOM 858 O ASN A 106 24.751 37.061 0.905 1.00 0.00 ATOM 859 C ASN A 106 24.795 36.710 2.082 1.00 0.00 ATOM 860 N ASP A 107 25.811 36.990 2.904 1.00 0.00 ATOM 861 CA ASP A 107 26.969 37.746 2.446 1.00 0.00 ATOM 862 CB ASP A 107 27.955 37.961 3.595 1.00 0.00 ATOM 863 CG ASP A 107 27.448 38.947 4.625 1.00 0.00 ATOM 864 OD1 ASP A 107 26.456 39.650 4.333 1.00 0.00 ATOM 865 OD2 ASP A 107 28.042 39.022 5.721 1.00 0.00 ATOM 866 O ASP A 107 28.103 37.637 0.331 1.00 0.00 ATOM 867 C ASP A 107 27.686 37.017 1.309 1.00 0.00 ATOM 868 N SER A 108 27.787 35.697 1.419 1.00 0.00 ATOM 869 CA SER A 108 28.454 34.904 0.393 1.00 0.00 ATOM 870 CB SER A 108 28.470 33.426 0.787 1.00 0.00 ATOM 871 OG SER A 108 29.279 33.209 1.929 1.00 0.00 ATOM 872 O SER A 108 28.430 35.012 -2.018 1.00 0.00 ATOM 873 C SER A 108 27.750 35.013 -0.975 1.00 0.00 ATOM 874 N ILE A 109 26.439 34.953 -0.949 1.00 0.00 ATOM 875 CA ILE A 109 25.626 35.049 -2.159 1.00 0.00 ATOM 876 CB ILE A 109 24.159 34.798 -1.860 1.00 0.00 ATOM 877 CG1 ILE A 109 23.992 33.421 -1.191 1.00 0.00 ATOM 878 CG2 ILE A 109 23.345 34.839 -3.115 1.00 0.00 ATOM 879 CD1 ILE A 109 22.553 33.126 -0.759 1.00 0.00 ATOM 880 O ILE A 109 26.079 36.467 -4.050 1.00 0.00 ATOM 881 C ILE A 109 25.890 36.394 -2.832 1.00 0.00 ATOM 882 N GLY A 110 25.930 37.455 -2.028 1.00 0.00 ATOM 883 CA GLY A 110 26.169 38.788 -2.563 1.00 0.00 ATOM 884 O GLY A 110 25.117 40.521 -3.820 1.00 0.00 ATOM 885 C GLY A 110 24.991 39.416 -3.287 1.00 0.00 ATOM 886 N ARG A 111 23.790 38.870 -3.192 1.00 0.00 ATOM 887 CA ARG A 111 22.612 39.429 -3.849 1.00 0.00 ATOM 888 CB ARG A 111 21.998 38.408 -4.833 1.00 0.00 ATOM 889 CG ARG A 111 22.937 37.797 -5.864 1.00 0.00 ATOM 890 CD ARG A 111 23.414 38.823 -6.864 1.00 0.00 ATOM 891 NE ARG A 111 24.018 38.204 -8.044 1.00 0.00 ATOM 892 CZ ARG A 111 25.026 37.332 -8.009 1.00 0.00 ATOM 893 NH1 ARG A 111 25.553 36.953 -6.851 1.00 0.00 ATOM 894 NH2 ARG A 111 25.514 36.833 -9.143 1.00 0.00 ATOM 895 O ARG A 111 21.739 39.738 -1.662 1.00 0.00 ATOM 896 C ARG A 111 21.524 39.842 -2.870 1.00 0.00 ATOM 897 N ASP A 112 20.586 40.659 -3.315 1.00 0.00 ATOM 898 CA ASP A 112 19.496 41.124 -2.452 1.00 0.00 ATOM 899 CB ASP A 112 18.460 41.872 -3.286 1.00 0.00 ATOM 900 CG ASP A 112 18.956 43.279 -3.623 1.00 0.00 ATOM 901 OD1 ASP A 112 19.814 43.831 -2.903 1.00 0.00 ATOM 902 OD2 ASP A 112 18.416 43.906 -4.550 1.00 0.00 ATOM 903 O ASP A 112 18.039 40.256 -0.771 1.00 0.00 ATOM 904 C ASP A 112 18.797 40.003 -1.693 1.00 0.00 ENDMDL EXPDTA 2hh6A MODEL 2 REMARK 44 REMARK 44 model 2 is called 2hh6A ATOM 1 N MET A 1 25.446 4.894 22.323 1.00 0.00 ATOM 2 CA MET A 1 26.681 5.695 22.597 1.00 0.00 ATOM 3 CB MET A 1 27.946 4.917 22.216 1.00 0.00 ATOM 4 CG MET A 1 27.964 3.495 22.691 1.00 0.00 ATOM 5 SD MET A 1 29.767 2.878 23.031 1.00 0.00 ATOM 6 CE MET A 1 30.146 2.170 21.410 1.00 0.00 ATOM 7 O MET A 1 26.598 6.926 20.564 1.00 0.00 ATOM 8 C MET A 1 26.641 6.977 21.791 1.00 0.00 ATOM 9 N SER A 2 26.673 8.125 22.465 1.00 0.00 ATOM 10 CA SER A 2 26.609 9.409 21.762 1.00 0.00 ATOM 11 CB SER A 2 26.515 10.598 22.733 1.00 0.00 ATOM 12 OG SER A 2 27.781 10.927 23.288 1.00 0.00 ATOM 13 O SER A 2 27.657 10.220 19.781 1.00 0.00 ATOM 14 C SER A 2 27.799 9.596 20.823 1.00 0.00 ATOM 15 N PHE A 3 28.965 9.073 21.203 1.00 0.00 ATOM 16 CA PHE A 3 30.158 9.146 20.350 1.00 0.00 ATOM 17 CB PHE A 3 31.331 8.412 21.014 1.00 0.00 ATOM 18 CG PHE A 3 32.561 8.328 20.153 1.00 0.00 ATOM 19 CD1 PHE A 3 33.176 9.475 19.693 1.00 0.00 ATOM 20 CD2 PHE A 3 33.093 7.105 19.795 1.00 0.00 ATOM 21 CE1 PHE A 3 34.300 9.401 18.893 1.00 0.00 ATOM 22 CE2 PHE A 3 34.216 7.027 19.016 1.00 0.00 ATOM 23 CZ PHE A 3 34.819 8.177 18.561 1.00 0.00 ATOM 24 O PHE A 3 30.150 9.177 17.940 1.00 0.00 ATOM 25 C PHE A 3 29.875 8.557 18.960 1.00 0.00 ATOM 26 N ILE A 4 29.296 7.364 18.953 1.00 0.00 ATOM 27 CA ILE A 4 28.908 6.669 17.733 1.00 0.00 ATOM 28 CB ILE A 4 28.624 5.173 18.042 1.00 0.00 ATOM 29 CG1 ILE A 4 29.915 4.465 18.474 1.00 0.00 ATOM 30 CG2 ILE A 4 27.954 4.482 16.870 1.00 0.00 ATOM 31 CD1 ILE A 4 30.979 4.385 17.419 1.00 0.00 ATOM 32 O ILE A 4 27.683 7.507 15.875 1.00 0.00 ATOM 33 C ILE A 4 27.699 7.316 17.078 1.00 0.00 ATOM 34 N GLU A 5 26.688 7.665 17.861 1.00 0.00 ATOM 35 CA GLU A 5 25.485 8.286 17.305 1.00 0.00 ATOM 36 CB GLU A 5 24.446 8.528 18.405 1.00 0.00 ATOM 37 CG GLU A 5 23.816 7.250 18.962 1.00 0.00 ATOM 38 CD GLU A 5 22.970 7.491 20.216 1.00 0.00 ATOM 39 OE1 GLU A 5 22.896 8.648 20.699 1.00 0.00 ATOM 40 OE2 GLU A 5 22.380 6.511 20.726 1.00 0.00 ATOM 41 O GLU A 5 25.246 9.883 15.531 1.00 0.00 ATOM 42 C GLU A 5 25.811 9.595 16.584 1.00 0.00 ATOM 43 N LYS A 6 26.726 10.378 17.153 1.00 0.00 ATOM 44 CA LYS A 6 27.182 11.628 16.525 1.00 0.00 ATOM 45 CB LYS A 6 28.105 12.413 17.477 1.00 0.00 ATOM 46 CG LYS A 6 27.375 13.140 18.608 1.00 0.00 ATOM 47 CD LYS A 6 28.317 13.534 19.752 1.00 0.00 ATOM 48 O LYS A 6 27.729 12.086 14.241 1.00 0.00 ATOM 49 C LYS A 6 27.910 11.366 15.222 1.00 0.00 ATOM 50 N MET A 7 28.729 10.324 15.196 1.00 0.00 ATOM 51 CA MET A 7 29.453 9.968 13.976 1.00 0.00 ATOM 52 CB MET A 7 30.449 8.869 14.271 1.00 0.00 ATOM 53 CG MET A 7 31.588 9.356 15.094 1.00 0.00 ATOM 54 SD MET A 7 32.809 7.928 15.424 1.00 0.00 ATOM 55 CE MET A 7 33.529 7.888 13.666 1.00 0.00 ATOM 56 O MET A 7 28.735 9.920 11.691 1.00 0.00 ATOM 57 C MET A 7 28.523 9.541 12.850 1.00 0.00 ATOM 58 N ILE A 8 27.494 8.772 13.204 1.00 0.00 ATOM 59 CA ILE A 8 26.470 8.321 12.258 1.00 0.00 ATOM 60 CB ILE A 8 25.566 7.222 12.877 1.00 0.00 ATOM 61 CG1 ILE A 8 26.366 5.949 13.113 1.00 0.00 ATOM 62 CG2 ILE A 8 24.382 6.927 11.962 1.00 0.00 ATOM 63 CD1 ILE A 8 25.673 4.923 13.957 1.00 0.00 ATOM 64 O ILE A 8 25.251 9.564 10.611 1.00 0.00 ATOM 65 C ILE A 8 25.608 9.487 11.776 1.00 0.00 ATOM 66 N GLY A 9 25.260 10.388 12.678 1.00 0.00 ATOM 67 CA GLY A 9 24.529 11.590 12.304 1.00 0.00 ATOM 68 O GLY A 9 24.755 12.896 10.326 1.00 0.00 ATOM 69 C GLY A 9 25.313 12.394 11.290 1.00 0.00 ATOM 70 N SER A 10 26.619 12.505 11.496 1.00 0.00 ATOM 71 CA SER A 10 27.488 13.177 10.541 1.00 0.00 ATOM 72 CB SER A 10 28.881 13.339 11.143 1.00 0.00 ATOM 73 OG SER A 10 29.785 13.867 10.193 1.00 0.00 ATOM 74 O SER A 10 27.494 13.104 8.116 1.00 0.00 ATOM 75 C SER A 10 27.554 12.463 9.171 1.00 0.00 ATOM 76 N LEU A 11 27.682 11.143 9.174 1.00 0.00 ATOM 77 CA LEU A 11 27.597 10.380 7.931 1.00 0.00 ATOM 78 CB LEU A 11 27.696 8.885 8.217 1.00 0.00 ATOM 79 CG LEU A 11 29.083 8.389 8.610 1.00 0.00 ATOM 80 CD1 LEU A 11 29.009 6.963 9.171 1.00 0.00 ATOM 81 CD2 LEU A 11 30.034 8.454 7.439 1.00 0.00 ATOM 82 O LEU A 11 26.328 10.982 5.988 1.00 0.00 ATOM 83 C LEU A 11 26.304 10.691 7.184 1.00 0.00 ATOM 84 N ASN A 12 25.187 10.653 7.897 1.00 0.00 ATOM 85 CA ASN A 12 23.875 10.929 7.307 1.00 0.00 ATOM 86 CB ASN A 12 22.752 10.678 8.319 1.00 0.00 ATOM 87 CG ASN A 12 22.750 9.255 8.861 1.00 0.00 ATOM 88 ND2 ASN A 12 22.062 9.053 9.974 1.00 0.00 ATOM 89 OD1 ASN A 12 23.360 8.354 8.285 1.00 0.00 ATOM 90 O ASN A 12 23.196 12.579 5.734 1.00 0.00 ATOM 91 C ASN A 12 23.758 12.351 6.784 1.00 0.00 ATOM 92 N ASP A 13 24.275 13.305 7.542 1.00 0.00 ATOM 93 CA ASP A 13 24.210 14.695 7.132 1.00 0.00 ATOM 94 CB ASP A 13 24.731 15.617 8.242 1.00 0.00 ATOM 95 CG ASP A 13 23.825 15.660 9.439 1.00 0.00 ATOM 96 OD1 ASP A 13 22.702 15.118 9.395 1.00 0.00 ATOM 97 OD2 ASP A 13 24.249 16.229 10.443 1.00 0.00 ATOM 98 O ASP A 13 24.571 15.584 4.979 1.00 0.00 ATOM 99 C ASP A 13 25.016 14.910 5.875 1.00 0.00 ATOM 100 N LYS A 14 26.210 14.326 5.816 1.00 0.00 ATOM 101 CA LYS A 14 27.102 14.509 4.690 1.00 0.00 ATOM 102 CB LYS A 14 28.507 14.011 5.020 1.00 0.00 ATOM 103 CG LYS A 14 29.199 14.863 6.054 1.00 0.00 ATOM 104 CD LYS A 14 30.607 14.364 6.348 1.00 0.00 ATOM 105 CE LYS A 14 31.247 15.110 7.536 1.00 0.00 ATOM 106 O LYS A 14 26.791 14.303 2.337 1.00 0.00 ATOM 107 C LYS A 14 26.561 13.834 3.441 1.00 0.00 ATOM 108 N ARG A 15 25.816 12.751 3.628 1.00 0.00 ATOM 109 CA ARG A 15 25.173 12.054 2.533 1.00 0.00 ATOM 110 CB ARG A 15 24.647 10.709 3.036 1.00 0.00 ATOM 111 CG ARG A 15 24.309 9.727 1.957 1.00 0.00 ATOM 112 CD ARG A 15 23.299 8.691 2.422 1.00 0.00 ATOM 113 NE ARG A 15 22.084 9.346 2.909 1.00 0.00 ATOM 114 CZ ARG A 15 21.508 9.128 4.088 1.00 0.00 ATOM 115 NH1 ARG A 15 21.998 8.220 4.934 1.00 0.00 ATOM 116 NH2 ARG A 15 20.413 9.813 4.409 1.00 0.00 ATOM 117 O ARG A 15 23.894 13.023 0.724 1.00 0.00 ATOM 118 C ARG A 15 24.041 12.908 1.944 1.00 0.00 ATOM 119 N GLU A 16 23.256 13.529 2.812 1.00 0.00 ATOM 120 CA GLU A 16 22.197 14.440 2.372 1.00 0.00 ATOM 121 CB GLU A 16 21.329 14.875 3.560 1.00 0.00 ATOM 122 CG GLU A 16 20.553 13.713 4.181 1.00 0.00 ATOM 123 CD GLU A 16 19.852 14.073 5.482 1.00 0.00 ATOM 124 OE1 GLU A 16 20.303 15.011 6.177 1.00 0.00 ATOM 125 OE2 GLU A 16 18.846 13.408 5.816 1.00 0.00 ATOM 126 O GLU A 16 22.241 16.062 0.618 1.00 0.00 ATOM 127 C GLU A 16 22.774 15.653 1.643 1.00 0.00 ATOM 128 N TRP A 17 23.860 16.210 2.170 1.00 0.00 ATOM 129 CA TRP A 17 24.616 17.297 1.535 1.00 0.00 ATOM 130 CB TRP A 17 25.867 17.630 2.377 1.00 0.00 ATOM 131 CG TRP A 17 26.798 18.690 1.790 1.00 0.00 ATOM 132 CD1 TRP A 17 26.729 20.036 1.993 1.00 0.00 ATOM 133 CD2 TRP A 17 27.945 18.476 0.944 1.00 0.00 ATOM 134 CE2 TRP A 17 28.499 19.743 0.662 1.00 0.00 ATOM 135 CE3 TRP A 17 28.541 17.339 0.379 1.00 0.00 ATOM 136 NE1 TRP A 17 27.738 20.675 1.313 1.00 0.00 ATOM 137 CZ2 TRP A 17 29.626 19.908 -0.150 1.00 0.00 ATOM 138 CZ3 TRP A 17 29.661 17.504 -0.439 1.00 0.00 ATOM 139 CH2 TRP A 17 30.192 18.781 -0.689 1.00 0.00 ATOM 140 O TRP A 17 24.870 17.667 -0.812 1.00 0.00 ATOM 141 C TRP A 17 25.051 16.920 0.124 1.00 0.00 ATOM 142 N LYS A 18 25.682 15.750 -0.001 1.00 0.00 ATOM 143 CA LYS A 18 26.131 15.232 -1.296 1.00 0.00 ATOM 144 CB LYS A 18 26.743 13.835 -1.125 1.00 0.00 ATOM 145 CG LYS A 18 27.335 13.254 -2.408 1.00 0.00 ATOM 146 CD LYS A 18 27.981 11.897 -2.200 1.00 0.00 ATOM 147 CE LYS A 18 28.669 11.462 -3.443 1.00 0.00 ATOM 148 NZ LYS A 18 29.441 10.212 -3.356 1.00 0.00 ATOM 149 O LYS A 18 25.149 15.597 -3.489 1.00 0.00 ATOM 150 C LYS A 18 24.996 15.180 -2.325 1.00 0.00 ATOM 151 N ALA A 19 23.856 14.666 -1.897 1.00 0.00 ATOM 152 CA ALA A 19 22.692 14.563 -2.741 1.00 0.00 ATOM 153 CB ALA A 19 21.611 13.819 -2.016 1.00 0.00 ATOM 154 O ALA A 19 21.756 16.128 -4.274 1.00 0.00 ATOM 155 C ALA A 19 22.192 15.946 -3.155 1.00 0.00 ATOM 156 N MET A 20 22.238 16.903 -2.234 1.00 0.00 ATOM 157 CA MET A 20 21.813 18.262 -2.526 1.00 0.00 ATOM 158 CB MET A 20 21.676 19.089 -1.247 1.00 0.00 ATOM 159 CG MET A 20 20.395 18.832 -0.528 1.00 0.00 ATOM 160 SD MET A 20 20.369 19.666 1.235 1.00 0.00 ATOM 161 CE MET A 20 19.802 21.302 0.743 1.00 0.00 ATOM 162 O MET A 20 22.339 19.635 -4.375 1.00 0.00 ATOM 163 C MET A 20 22.769 18.925 -3.483 1.00 0.00 ATOM 164 N GLU A 21 24.065 18.677 -3.314 1.00 0.00 ATOM 165 CA GLU A 21 25.053 19.164 -4.249 1.00 0.00 ATOM 166 CB GLU A 21 26.482 18.833 -3.787 1.00 0.00 ATOM 167 CG GLU A 21 26.946 19.631 -2.558 1.00 0.00 ATOM 168 CD GLU A 21 27.076 21.124 -2.834 1.00 0.00 ATOM 169 OE1 GLU A 21 28.032 21.541 -3.509 1.00 0.00 ATOM 170 OE2 GLU A 21 26.206 21.877 -2.399 1.00 0.00 ATOM 171 O GLU A 21 25.004 19.363 -6.637 1.00 0.00 ATOM 172 C GLU A 21 24.797 18.637 -5.664 1.00 0.00 ATOM 173 N ALA A 22 24.339 17.389 -5.766 1.00 0.00 ATOM 174 CA ALA A 22 24.058 16.762 -7.041 1.00 0.00 ATOM 175 CB ALA A 22 23.875 15.273 -6.873 1.00 0.00 ATOM 176 O ALA A 22 22.795 17.599 -8.854 1.00 0.00 ATOM 177 C ALA A 22 22.822 17.378 -7.671 1.00 0.00 ATOM 178 N ARG A 23 21.794 17.649 -6.874 1.00 0.00 ATOM 179 CA ARG A 23 20.611 18.341 -7.381 1.00 0.00 ATOM 180 CB ARG A 23 19.616 18.581 -6.261 1.00 0.00 ATOM 181 CG ARG A 23 18.772 17.376 -5.984 1.00 0.00 ATOM 182 CD ARG A 23 17.821 17.640 -4.875 1.00 0.00 ATOM 183 NE ARG A 23 16.679 18.461 -5.247 1.00 0.00 ATOM 184 CZ ARG A 23 15.860 19.006 -4.355 1.00 0.00 ATOM 185 NH1 ARG A 23 16.060 18.823 -3.058 1.00 0.00 ATOM 186 NH2 ARG A 23 14.835 19.722 -4.740 1.00 0.00 ATOM 187 O ARG A 23 20.424 20.032 -9.066 1.00 0.00 ATOM 188 C ARG A 23 20.965 19.675 -8.026 1.00 0.00 ATOM 189 N ALA A 24 21.864 20.409 -7.390 1.00 0.00 ATOM 190 CA ALA A 24 22.292 21.708 -7.896 1.00 0.00 ATOM 191 CB ALA A 24 23.075 22.452 -6.828 1.00 0.00 ATOM 192 O ALA A 24 23.001 22.394 -10.046 1.00 0.00 ATOM 193 C ALA A 24 23.118 21.574 -9.146 1.00 0.00 ATOM 194 N LYS A 25 23.973 20.545 -9.200 1.00 0.00 ATOM 195 CA LYS A 25 24.823 20.298 -10.361 1.00 0.00 ATOM 196 CB LYS A 25 25.867 19.239 -10.005 1.00 0.00 ATOM 197 CG LYS A 25 26.866 18.887 -11.090 1.00 0.00 ATOM 198 CD LYS A 25 27.860 19.983 -11.320 1.00 0.00 ATOM 199 CE LYS A 25 29.001 19.515 -12.202 1.00 0.00 ATOM 200 NZ LYS A 25 29.451 20.603 -13.121 1.00 0.00 ATOM 201 O LYS A 25 24.379 20.180 -12.732 1.00 0.00 ATOM 202 C LYS A 25 23.996 19.889 -11.593 1.00 0.00 ATOM 203 N ALA A 26 22.861 19.226 -11.360 1.00 0.00 ATOM 204 CA ALA A 26 21.976 18.828 -12.432 1.00 0.00 ATOM 205 CB ALA A 26 20.949 17.852 -11.942 1.00 0.00 ATOM 206 O ALA A 26 20.854 19.912 -14.222 1.00 0.00 ATOM 207 C ALA A 26 21.290 20.020 -13.094 1.00 0.00 ATOM 208 N LEU A 27 21.219 21.151 -12.399 1.00 0.00 ATOM 209 CA LEU A 27 20.592 22.344 -12.929 1.00 0.00 ATOM 210 CB LEU A 27 20.403 23.354 -11.823 1.00 0.00 ATOM 211 CG LEU A 27 19.436 23.010 -10.684 1.00 0.00 ATOM 212 CD1 LEU A 27 19.525 24.039 -9.634 1.00 0.00 ATOM 213 CD2 LEU A 27 18.023 22.909 -11.212 1.00 0.00 ATOM 214 O LEU A 27 22.600 22.648 -14.223 1.00 0.00 ATOM 215 C LEU A 27 21.424 22.974 -14.059 1.00 0.00 ATOM 216 N PRO A 28 20.810 23.860 -14.856 1.00 0.00 ATOM 217 CA PRO A 28 21.641 24.561 -15.839 1.00 0.00 ATOM 218 CB PRO A 28 20.638 25.455 -16.579 1.00 0.00 ATOM 219 CG PRO A 28 19.299 24.858 -16.327 1.00 0.00 ATOM 220 CD PRO A 28 19.384 24.213 -14.981 1.00 0.00 ATOM 221 O PRO A 28 22.629 25.689 -13.969 1.00 0.00 ATOM 222 C PRO A 28 22.737 25.395 -15.147 1.00 0.00 ATOM 223 N LYS A 29 23.760 25.772 -15.901 1.00 0.00 ATOM 224 CA LYS A 29 24.935 26.500 -15.409 1.00 0.00 ATOM 225 CB LYS A 29 25.782 26.974 -16.596 1.00 0.00 ATOM 226 CG LYS A 29 27.164 27.513 -16.241 1.00 0.00 ATOM 227 CD LYS A 29 27.972 27.840 -17.515 1.00 0.00 ATOM 228 O LYS A 29 25.160 27.880 -13.469 1.00 0.00 ATOM 229 C LYS A 29 24.586 27.696 -14.550 1.00 0.00 ATOM 230 N GLU A 30 23.638 28.497 -15.017 1.00 0.00 ATOM 231 CA GLU A 30 23.308 29.758 -14.364 1.00 0.00 ATOM 232 CB GLU A 30 22.362 30.593 -15.241 1.00 0.00 ATOM 233 CG GLU A 30 23.005 31.185 -16.486 1.00 0.00 ATOM 234 CD GLU A 30 23.367 30.146 -17.553 1.00 0.00 ATOM 235 OE1 GLU A 30 22.734 29.050 -17.595 1.00 0.00 ATOM 236 OE2 GLU A 30 24.294 30.438 -18.350 1.00 0.00 ATOM 237 O GLU A 30 22.914 30.249 -12.061 1.00 0.00 ATOM 238 C GLU A 30 22.676 29.512 -12.998 1.00 0.00 ATOM 239 N TYR A 31 21.859 28.470 -12.920 1.00 0.00 ATOM 240 CA TYR A 31 21.196 28.052 -11.701 1.00 0.00 ATOM 241 CB TYR A 31 20.133 27.011 -12.021 1.00 0.00 ATOM 242 CG TYR A 31 18.822 27.576 -12.454 1.00 0.00 ATOM 243 CD1 TYR A 31 18.569 27.878 -13.804 1.00 0.00 ATOM 244 CD2 TYR A 31 17.827 27.815 -11.525 1.00 0.00 ATOM 245 CE1 TYR A 31 17.354 28.396 -14.196 1.00 0.00 ATOM 246 CE2 TYR A 31 16.622 28.334 -11.901 1.00 0.00 ATOM 247 CZ TYR A 31 16.385 28.615 -13.243 1.00 0.00 ATOM 248 OH TYR A 31 15.175 29.131 -13.577 1.00 0.00 ATOM 249 O TYR A 31 22.145 27.751 -9.543 1.00 0.00 ATOM 250 C TYR A 31 22.190 27.452 -10.710 1.00 0.00 ATOM 251 N HIS A 32 23.075 26.589 -11.198 1.00 0.00 ATOM 252 CA HIS A 32 24.137 26.028 -10.379 1.00 0.00 ATOM 253 CB HIS A 32 24.932 24.999 -11.182 1.00 0.00 ATOM 254 CG HIS A 32 26.000 24.301 -10.398 1.00 0.00 ATOM 255 CD2 HIS A 32 25.961 23.640 -9.220 1.00 0.00 ATOM 256 ND1 HIS A 32 27.306 24.237 -10.825 1.00 0.00 ATOM 257 CE1 HIS A 32 28.029 23.577 -9.941 1.00 0.00 ATOM 258 NE2 HIS A 32 27.236 23.192 -8.964 1.00 0.00 ATOM 259 O HIS A 32 25.440 27.095 -8.681 1.00 0.00 ATOM 260 C HIS A 32 25.051 27.126 -9.833 1.00 0.00 ATOM 261 N HIS A 33 25.382 28.090 -10.671 1.00 0.00 ATOM 262 CA HIS A 33 26.196 29.223 -10.263 1.00 0.00 ATOM 263 CB HIS A 33 26.564 30.068 -11.474 1.00 0.00 ATOM 264 CG HIS A 33 27.304 31.319 -11.133 1.00 0.00 ATOM 265 CD2 HIS A 33 28.617 31.543 -10.906 1.00 0.00 ATOM 266 ND1 HIS A 33 26.676 32.537 -10.997 1.00 0.00 ATOM 267 CE1 HIS A 33 27.573 33.458 -10.697 1.00 0.00 ATOM 268 NE2 HIS A 33 28.758 32.882 -10.642 1.00 0.00 ATOM 269 O HIS A 33 26.003 30.372 -8.177 1.00 0.00 ATOM 270 C HIS A 33 25.451 30.037 -9.214 1.00 0.00 ATOM 271 N ALA A 34 24.178 30.311 -9.445 1.00 0.00 ATOM 272 CA ALA A 34 23.390 31.057 -8.477 1.00 0.00 ATOM 273 CB ALA A 34 22.014 31.348 -9.017 1.00 0.00 ATOM 274 O ALA A 34 23.390 31.006 -6.067 1.00 0.00 ATOM 275 C ALA A 34 23.309 30.357 -7.109 1.00 0.00 ATOM 276 N TYR A 35 23.179 29.034 -7.119 1.00 0.00 ATOM 277 CA TYR A 35 23.086 28.247 -5.900 1.00 0.00 ATOM 278 CB TYR A 35 22.817 26.793 -6.270 1.00 0.00 ATOM 279 CG TYR A 35 22.586 25.873 -5.108 1.00 0.00 ATOM 280 CD1 TYR A 35 21.364 25.839 -4.456 1.00 0.00 ATOM 281 CD2 TYR A 35 23.579 25.022 -4.668 1.00 0.00 ATOM 282 CE1 TYR A 35 21.148 24.985 -3.417 1.00 0.00 ATOM 283 CE2 TYR A 35 23.363 24.158 -3.630 1.00 0.00 ATOM 284 CZ TYR A 35 22.144 24.137 -3.014 1.00 0.00 ATOM 285 OH TYR A 35 21.924 23.289 -1.961 1.00 0.00 ATOM 286 O TYR A 35 24.376 28.564 -3.890 1.00 0.00 ATOM 287 C TYR A 35 24.390 28.353 -5.091 1.00 0.00 ATOM 288 N LYS A 36 25.505 28.210 -5.788 1.00 0.00 ATOM 289 CA LYS A 36 26.819 28.358 -5.178 1.00 0.00 ATOM 290 CB LYS A 36 27.912 27.970 -6.182 1.00 0.00 ATOM 291 CG LYS A 36 28.288 26.495 -6.183 1.00 0.00 ATOM 292 CD LYS A 36 27.099 25.567 -5.985 1.00 0.00 ATOM 293 O LYS A 36 27.602 29.960 -3.590 1.00 0.00 ATOM 294 C LYS A 36 27.026 29.781 -4.643 1.00 0.00 ATOM 295 N ALA A 37 26.527 30.787 -5.361 1.00 0.00 ATOM 296 CA ALA A 37 26.624 32.174 -4.893 1.00 0.00 ATOM 297 CB ALA A 37 26.167 33.126 -5.950 1.00 0.00 ATOM 298 O ALA A 37 26.263 33.048 -2.682 1.00 0.00 ATOM 299 C ALA A 37 25.813 32.380 -3.606 1.00 0.00 ATOM 300 N ILE A 38 24.617 31.803 -3.562 1.00 0.00 ATOM 301 CA ILE A 38 23.773 31.866 -2.381 1.00 0.00 ATOM 302 CB ILE A 38 22.349 31.366 -2.672 1.00 0.00 ATOM 303 CG1 ILE A 38 21.657 32.312 -3.676 1.00 0.00 ATOM 304 CG2 ILE A 38 21.529 31.281 -1.407 1.00 0.00 ATOM 305 CD1 ILE A 38 20.247 31.920 -4.059 1.00 0.00 ATOM 306 O ILE A 38 24.269 31.517 -0.080 1.00 0.00 ATOM 307 C ILE A 38 24.401 31.098 -1.210 1.00 0.00 ATOM 308 N GLN A 39 25.056 29.969 -1.479 1.00 0.00 ATOM 309 CA GLN A 39 25.760 29.227 -0.443 1.00 0.00 ATOM 310 CB GLN A 39 26.442 27.991 -1.023 1.00 0.00 ATOM 311 CG GLN A 39 25.557 26.788 -1.137 1.00 0.00 ATOM 312 CD GLN A 39 26.287 25.593 -1.726 1.00 0.00 ATOM 313 OE1 GLN A 39 27.157 25.740 -2.574 1.00 0.00 ATOM 314 NE2 GLN A 39 25.918 24.413 -1.291 1.00 0.00 ATOM 315 O GLN A 39 26.859 30.227 1.401 1.00 0.00 ATOM 316 C GLN A 39 26.808 30.119 0.202 1.00 0.00 ATOM 317 N LYS A 40 27.635 30.778 -0.606 1.00 0.00 ATOM 318 CA LYS A 40 28.668 31.659 -0.062 1.00 0.00 ATOM 319 CB LYS A 40 29.496 32.308 -1.178 1.00 0.00 ATOM 320 CG LYS A 40 30.365 31.305 -1.970 1.00 0.00 ATOM 321 CD LYS A 40 31.053 31.970 -3.184 1.00 0.00 ATOM 322 CE LYS A 40 31.912 30.985 -4.007 1.00 0.00 ATOM 323 O LYS A 40 28.506 32.992 1.914 1.00 0.00 ATOM 324 C LYS A 40 28.028 32.725 0.824 1.00 0.00 ATOM 325 N TYR A 41 26.932 33.307 0.353 1.00 0.00 ATOM 326 CA TYR A 41 26.224 34.346 1.089 1.00 0.00 ATOM 327 CB TYR A 41 25.086 34.910 0.244 1.00 0.00 ATOM 328 CG TYR A 41 24.218 35.916 0.940 1.00 0.00 ATOM 329 CD1 TYR A 41 24.632 37.226 1.111 1.00 0.00 ATOM 330 CD2 TYR A 41 22.975 35.564 1.427 1.00 0.00 ATOM 331 CE1 TYR A 41 23.837 38.156 1.755 1.00 0.00 ATOM 332 CE2 TYR A 41 22.175 36.485 2.072 1.00 0.00 ATOM 333 CZ TYR A 41 22.612 37.782 2.234 1.00 0.00 ATOM 334 OH TYR A 41 21.803 38.699 2.871 1.00 0.00 ATOM 335 O TYR A 41 25.860 34.449 3.436 1.00 0.00 ATOM 336 C TYR A 41 25.701 33.812 2.421 1.00 0.00 ATOM 337 N MET A 42 25.100 32.633 2.400 1.00 0.00 ATOM 338 CA MET A 42 24.611 31.991 3.597 1.00 0.00 ATOM 339 CB MET A 42 23.716 30.793 3.264 1.00 0.00 ATOM 340 CG MET A 42 22.412 31.116 2.574 1.00 0.00 ATOM 341 SD MET A 42 21.251 32.373 3.492 1.00 0.00 ATOM 342 CE MET A 42 19.575 31.957 2.481 1.00 0.00 ATOM 343 O MET A 42 25.457 31.345 5.697 1.00 0.00 ATOM 344 C MET A 42 25.719 31.496 4.520 1.00 0.00 ATOM 345 N TRP A 43 26.927 31.222 4.027 1.00 0.00 ATOM 346 CA TRP A 43 28.001 30.740 4.918 1.00 0.00 ATOM 347 CB TRP A 43 29.083 29.926 4.202 1.00 0.00 ATOM 348 CG TRP A 43 28.620 28.689 3.444 1.00 0.00 ATOM 349 CD1 TRP A 43 29.284 28.086 2.401 1.00 0.00 ATOM 350 CD2 TRP A 43 27.409 27.924 3.640 1.00 0.00 ATOM 351 CE2 TRP A 43 27.421 26.873 2.686 1.00 0.00 ATOM 352 CE3 TRP A 43 26.325 28.015 4.532 1.00 0.00 ATOM 353 NE1 TRP A 43 28.569 26.997 1.944 1.00 0.00 ATOM 354 CZ2 TRP A 43 26.385 25.928 2.590 1.00 0.00 ATOM 355 CZ3 TRP A 43 25.299 27.070 4.442 1.00 0.00 ATOM 356 CH2 TRP A 43 25.339 26.042 3.473 1.00 0.00 ATOM 357 O TRP A 43 29.830 31.961 5.878 1.00 0.00 ATOM 358 C TRP A 43 28.631 31.924 5.622 1.00 0.00 ATOM 359 N THR A 44 27.806 32.905 5.927 1.00 0.00 ATOM 360 CA THR A 44 28.221 34.042 6.679 1.00 0.00 ATOM 361 CB THR A 44 28.116 35.332 5.855 1.00 0.00 ATOM 362 CG2 THR A 44 28.799 35.183 4.488 1.00 0.00 ATOM 363 OG1 THR A 44 26.733 35.679 5.682 1.00 0.00 ATOM 364 O THR A 44 26.553 33.129 8.166 1.00 0.00 ATOM 365 C THR A 44 27.277 34.091 7.867 1.00 0.00 ATOM 366 N SER A 45 27.257 35.230 8.529 1.00 0.00 ATOM 367 CA SER A 45 26.496 35.335 9.755 1.00 0.00 ATOM 368 CB SER A 45 27.057 36.446 10.636 1.00 0.00 ATOM 369 OG SER A 45 28.444 36.262 10.896 1.00 0.00 ATOM 370 O SER A 45 24.179 35.367 10.386 1.00 0.00 ATOM 371 C SER A 45 25.002 35.531 9.485 1.00 0.00 ATOM 372 N GLY A 46 24.653 35.851 8.251 1.00 0.00 ATOM 373 CA GLY A 46 23.252 35.923 7.862 1.00 0.00 ATOM 374 O GLY A 46 21.451 34.496 7.215 1.00 0.00 ATOM 375 C GLY A 46 22.631 34.564 7.570 1.00 0.00 ATOM 376 N GLY A 47 23.411 33.490 7.748 1.00 0.00 ATOM 377 CA GLY A 47 22.991 32.141 7.379 1.00 0.00 ATOM 378 O GLY A 47 22.581 31.672 9.676 1.00 0.00 ATOM 379 C GLY A 47 22.493 31.278 8.525 1.00 0.00 ATOM 380 N PRO A 48 21.941 30.092 8.202 1.00 0.00 ATOM 381 CA PRO A 48 21.403 29.171 9.200 1.00 0.00 ATOM 382 CB PRO A 48 20.645 28.125 8.368 1.00 0.00 ATOM 383 CG PRO A 48 21.167 28.241 7.007 1.00 0.00 ATOM 384 CD PRO A 48 21.752 29.594 6.823 1.00 0.00 ATOM 385 O PRO A 48 23.638 28.543 9.756 1.00 0.00 ATOM 386 C PRO A 48 22.465 28.537 10.089 1.00 0.00 ATOM 387 N THR A 49 22.047 28.020 11.239 1.00 0.00 ATOM 388 CA THR A 49 22.998 27.694 12.294 1.00 0.00 ATOM 389 CB THR A 49 22.663 28.456 13.591 1.00 0.00 ATOM 390 CG2 THR A 49 22.596 29.941 13.319 1.00 0.00 ATOM 391 OG1 THR A 49 21.400 28.017 14.096 1.00 0.00 ATOM 392 O THR A 49 23.917 25.801 13.381 1.00 0.00 ATOM 393 C THR A 49 23.080 26.214 12.599 1.00 0.00 ATOM 394 N ASP A 50 22.218 25.406 11.995 1.00 0.00 ATOM 395 CA ASP A 50 22.295 23.973 12.214 1.00 0.00 ATOM 396 CB ASP A 50 21.468 23.539 13.442 1.00 0.00 ATOM 397 CG ASP A 50 19.972 23.746 13.274 1.00 0.00 ATOM 398 OD1 ASP A 50 19.504 24.001 12.158 1.00 0.00 ATOM 399 OD2 ASP A 50 19.245 23.654 14.284 1.00 0.00 ATOM 400 O ASP A 50 21.507 23.861 9.973 1.00 0.00 ATOM 401 C ASP A 50 21.927 23.244 10.936 1.00 0.00 ATOM 402 N TRP A 51 22.140 21.941 10.920 1.00 0.00 ATOM 403 CA TRP A 51 21.918 21.161 9.736 1.00 0.00 ATOM 404 CB TRP A 51 22.484 19.760 9.891 1.00 0.00 ATOM 405 CG TRP A 51 22.165 18.931 8.692 1.00 0.00 ATOM 406 CD1 TRP A 51 21.367 17.827 8.654 1.00 0.00 ATOM 407 CD2 TRP A 51 22.570 19.180 7.349 1.00 0.00 ATOM 408 CE2 TRP A 51 22.002 18.172 6.555 1.00 0.00 ATOM 409 CE3 TRP A 51 23.366 20.154 6.737 1.00 0.00 ATOM 410 NE1 TRP A 51 21.268 17.364 7.381 1.00 0.00 ATOM 411 CZ2 TRP A 51 22.198 18.103 5.188 1.00 0.00 ATOM 412 CZ3 TRP A 51 23.563 20.085 5.370 1.00 0.00 ATOM 413 CH2 TRP A 51 22.977 19.068 4.612 1.00 0.00 ATOM 414 O TRP A 51 20.111 21.174 8.164 1.00 0.00 ATOM 415 C TRP A 51 20.440 21.101 9.344 1.00 0.00 ATOM 416 N GLN A 52 19.563 20.964 10.334 1.00 0.00 ATOM 417 CA GLN A 52 18.127 20.901 10.105 1.00 0.00 ATOM 418 CB GLN A 52 17.380 20.808 11.460 1.00 0.00 ATOM 419 CG GLN A 52 15.859 20.562 11.334 1.00 0.00 ATOM 420 CD GLN A 52 15.127 20.503 12.681 1.00 0.00 ATOM 421 OE1 GLN A 52 15.521 21.152 13.662 1.00 0.00 ATOM 422 NE2 GLN A 52 14.049 19.720 12.726 1.00 0.00 ATOM 423 O GLN A 52 16.883 21.974 8.363 1.00 0.00 ATOM 424 C GLN A 52 17.646 22.110 9.306 1.00 0.00 ATOM 425 N ASP A 53 18.099 23.300 9.679 1.00 0.00 ATOM 426 CA ASP A 53 17.649 24.519 9.033 1.00 0.00 ATOM 427 CB ASP A 53 17.943 25.741 9.903 1.00 0.00 ATOM 428 CG ASP A 53 17.053 25.834 11.142 1.00 0.00 ATOM 429 OD1 ASP A 53 15.984 25.204 11.203 1.00 0.00 ATOM 430 OD2 ASP A 53 17.444 26.577 12.046 1.00 0.00 ATOM 431 O ASP A 53 17.718 25.219 6.771 1.00 0.00 ATOM 432 C ASP A 53 18.327 24.721 7.689 1.00 0.00 ATOM 433 N THR A 54 19.608 24.389 7.603 1.00 0.00 ATOM 434 CA THR A 54 20.337 24.379 6.336 1.00 0.00 ATOM 435 CB THR A 54 21.790 23.917 6.582 1.00 0.00 ATOM 436 CG2 THR A 54 22.580 23.835 5.286 1.00 0.00 ATOM 437 OG1 THR A 54 22.435 24.833 7.475 1.00 0.00 ATOM 438 O THR A 54 19.454 23.865 4.151 1.00 0.00 ATOM 439 C THR A 54 19.662 23.475 5.302 1.00 0.00 ATOM 440 N LYS A 55 19.312 22.267 5.721 1.00 0.00 ATOM 441 CA LYS A 55 18.592 21.314 4.878 1.00 0.00 ATOM 442 CB LYS A 55 18.333 20.061 5.692 1.00 0.00 ATOM 443 CG LYS A 55 18.116 18.795 4.965 1.00 0.00 ATOM 444 CD LYS A 55 18.389 17.622 5.909 1.00 0.00 ATOM 445 CE LYS A 55 17.180 17.198 6.743 1.00 0.00 ATOM 446 NZ LYS A 55 16.360 16.137 6.049 1.00 0.00 ATOM 447 O LYS A 55 16.934 21.789 3.216 1.00 0.00 ATOM 448 C LYS A 55 17.263 21.887 4.392 1.00 0.00 ATOM 449 N ARG A 56 16.497 22.485 5.298 1.00 0.00 ATOM 450 CA ARG A 56 15.196 23.059 4.939 1.00 0.00 ATOM 451 CB ARG A 56 14.477 23.552 6.187 1.00 0.00 ATOM 452 CG ARG A 56 13.004 23.818 5.984 1.00 0.00 ATOM 453 CD ARG A 56 12.256 24.011 7.328 1.00 0.00 ATOM 454 NE ARG A 56 12.014 25.427 7.619 1.00 0.00 ATOM 455 CZ ARG A 56 12.806 26.222 8.343 1.00 0.00 ATOM 456 NH1 ARG A 56 13.931 25.773 8.907 1.00 0.00 ATOM 457 NH2 ARG A 56 12.457 27.493 8.518 1.00 0.00 ATOM 458 O ARG A 56 14.580 24.298 2.970 1.00 0.00 ATOM 459 C ARG A 56 15.326 24.210 3.932 1.00 0.00 ATOM 460 N ILE A 57 16.292 25.080 4.170 1.00 0.00 ATOM 461 CA ILE A 57 16.472 26.309 3.389 1.00 0.00 ATOM 462 CB ILE A 57 17.459 27.256 4.101 1.00 0.00 ATOM 463 CG1 ILE A 57 16.858 27.804 5.419 1.00 0.00 ATOM 464 CG2 ILE A 57 17.921 28.382 3.186 1.00 0.00 ATOM 465 CD1 ILE A 57 15.750 28.771 5.285 1.00 0.00 ATOM 466 O ILE A 57 16.411 26.478 1.003 1.00 0.00 ATOM 467 C ILE A 57 16.979 26.010 1.985 1.00 0.00 ATOM 468 N PHE A 58 18.044 25.227 1.901 1.00 0.00 ATOM 469 CA PHE A 58 18.643 24.877 0.623 1.00 0.00 ATOM 470 CB PHE A 58 20.087 24.448 0.810 1.00 0.00 ATOM 471 CG PHE A 58 20.996 25.587 1.045 1.00 0.00 ATOM 472 CD1 PHE A 58 21.440 26.358 -0.023 1.00 0.00 ATOM 473 CD2 PHE A 58 21.369 25.949 2.326 1.00 0.00 ATOM 474 CE1 PHE A 58 22.273 27.438 0.182 1.00 0.00 ATOM 475 CE2 PHE A 58 22.197 27.038 2.541 1.00 0.00 ATOM 476 CZ PHE A 58 22.647 27.787 1.462 1.00 0.00 ATOM 477 O PHE A 58 17.721 23.998 -1.382 1.00 0.00 ATOM 478 C PHE A 58 17.813 23.881 -0.170 1.00 0.00 ATOM 479 N GLY A 59 17.163 22.942 0.506 1.00 0.00 ATOM 480 CA GLY A 59 16.176 22.095 -0.144 1.00 0.00 ATOM 481 O GLY A 59 14.562 22.578 -1.843 1.00 0.00 ATOM 482 C GLY A 59 15.030 22.889 -0.760 1.00 0.00 ATOM 483 N GLY A 60 14.555 23.917 -0.065 1.00 0.00 ATOM 484 CA GLY A 60 13.567 24.821 -0.650 1.00 0.00 ATOM 485 O GLY A 60 13.405 25.770 -2.852 1.00 0.00 ATOM 486 C GLY A 60 14.092 25.599 -1.852 1.00 0.00 ATOM 487 N ILE A 61 15.310 26.104 -1.760 1.00 0.00 ATOM 488 CA ILE A 61 15.914 26.762 -2.909 1.00 0.00 ATOM 489 CB ILE A 61 17.296 27.335 -2.587 1.00 0.00 ATOM 490 CG1 ILE A 61 17.158 28.487 -1.592 1.00 0.00 ATOM 491 CG2 ILE A 61 17.989 27.815 -3.880 1.00 0.00 ATOM 492 CD1 ILE A 61 18.462 29.021 -1.037 1.00 0.00 ATOM 493 O ILE A 61 15.664 26.148 -5.225 1.00 0.00 ATOM 494 C ILE A 61 15.974 25.789 -4.091 1.00 0.00 ATOM 495 N LEU A 62 16.336 24.545 -3.824 1.00 0.00 ATOM 496 CA LEU A 62 16.434 23.564 -4.885 1.00 0.00 ATOM 497 CB LEU A 62 17.116 22.291 -4.390 1.00 0.00 ATOM 498 CG LEU A 62 18.622 22.455 -4.136 1.00 0.00 ATOM 499 CD1 LEU A 62 19.192 21.290 -3.322 1.00 0.00 ATOM 500 CD2 LEU A 62 19.372 22.626 -5.448 1.00 0.00 ATOM 501 O LEU A 62 14.959 23.213 -6.715 1.00 0.00 ATOM 502 C LEU A 62 15.061 23.282 -5.513 1.00 0.00 ATOM 503 N ASP A 63 14.019 23.132 -4.702 1.00 0.00 ATOM 504 CA ASP A 63 12.674 22.913 -5.213 1.00 0.00 ATOM 505 CB ASP A 63 11.653 22.828 -4.074 1.00 0.00 ATOM 506 CG ASP A 63 11.833 21.600 -3.199 1.00 0.00 ATOM 507 OD1 ASP A 63 12.559 20.665 -3.588 1.00 0.00 ATOM 508 OD2 ASP A 63 11.250 21.575 -2.111 1.00 0.00 ATOM 509 O ASP A 63 11.749 23.802 -7.246 1.00 0.00 ATOM 510 C ASP A 63 12.261 24.047 -6.163 1.00 0.00 ATOM 511 N LEU A 64 12.483 25.280 -5.736 1.00 0.00 ATOM 512 CA LEU A 64 12.167 26.448 -6.540 1.00 0.00 ATOM 513 CB LEU A 64 12.426 27.713 -5.742 1.00 0.00 ATOM 514 CG LEU A 64 12.175 29.010 -6.477 1.00 0.00 ATOM 515 CD1 LEU A 64 10.690 29.136 -6.807 1.00 0.00 ATOM 516 CD2 LEU A 64 12.699 30.157 -5.674 1.00 0.00 ATOM 517 O LEU A 64 12.417 26.675 -8.908 1.00 0.00 ATOM 518 C LEU A 64 12.968 26.458 -7.837 1.00 0.00 ATOM 519 N PHE A 65 14.271 26.205 -7.729 1.00 0.00 ATOM 520 CA PHE A 65 15.159 26.231 -8.874 1.00 0.00 ATOM 521 CB PHE A 65 16.623 26.137 -8.425 1.00 0.00 ATOM 522 CG PHE A 65 17.223 27.459 -7.926 1.00 0.00 ATOM 523 CD1 PHE A 65 16.444 28.544 -7.610 1.00 0.00 ATOM 524 CD2 PHE A 65 18.596 27.590 -7.789 1.00 0.00 ATOM 525 CE1 PHE A 65 17.012 29.729 -7.159 1.00 0.00 ATOM 526 CE2 PHE A 65 19.163 28.774 -7.347 1.00 0.00 ATOM 527 CZ PHE A 65 18.384 29.836 -7.041 1.00 0.00 ATOM 528 O PHE A 65 14.867 25.388 -11.082 1.00 0.00 ATOM 529 C PHE A 65 14.805 25.145 -9.898 1.00 0.00 ATOM 530 N GLU A 66 14.398 23.967 -9.434 1.00 0.00 ATOM 531 CA GLU A 66 14.036 22.862 -10.318 1.00 0.00 ATOM 532 CB GLU A 66 13.925 21.554 -9.518 1.00 0.00 ATOM 533 CG GLU A 66 15.300 21.061 -9.062 1.00 0.00 ATOM 534 CD GLU A 66 15.301 19.849 -8.130 1.00 0.00 ATOM 535 OE1 GLU A 66 14.244 19.431 -7.617 1.00 0.00 ATOM 536 OE2 GLU A 66 16.394 19.304 -7.905 1.00 0.00 ATOM 537 O GLU A 66 12.691 22.915 -12.279 1.00 0.00 ATOM 538 C GLU A 66 12.770 23.182 -11.104 1.00 0.00 ATOM 539 N GLU A 67 11.802 23.801 -10.464 1.00 0.00 ATOM 540 CA GLU A 67 10.621 24.232 -11.159 1.00 0.00 ATOM 541 CB GLU A 67 9.556 24.714 -10.179 1.00 0.00 ATOM 542 CG GLU A 67 8.205 25.050 -10.861 1.00 0.00 ATOM 543 CD GLU A 67 7.792 24.016 -11.927 1.00 0.00 ATOM 544 OE1 GLU A 67 7.886 22.800 -11.656 1.00 0.00 ATOM 545 OE2 GLU A 67 7.384 24.415 -13.038 1.00 0.00 ATOM 546 O GLU A 67 10.527 25.196 -13.342 1.00 0.00 ATOM 547 C GLU A 67 10.946 25.305 -12.206 1.00 0.00 ATOM 548 N GLY A 68 11.731 26.302 -11.829 1.00 0.00 ATOM 549 CA GLY A 68 12.104 27.371 -12.739 1.00 0.00 ATOM 550 O GLY A 68 12.692 27.348 -15.047 1.00 0.00 ATOM 551 C GLY A 68 12.945 26.936 -13.922 1.00 0.00 ATOM 552 N ALA A 69 13.946 26.103 -13.675 1.00 0.00 ATOM 553 CA ALA A 69 14.774 25.549 -14.740 1.00 0.00 ATOM 554 CB ALA A 69 15.890 24.720 -14.149 1.00 0.00 ATOM 555 O ALA A 69 14.274 24.703 -16.918 1.00 0.00 ATOM 556 C ALA A 69 13.974 24.714 -15.730 1.00 0.00 ATOM 557 N ALA A 70 12.974 24.011 -15.227 1.00 0.00 ATOM 558 CA ALA A 70 12.087 23.206 -16.041 1.00 0.00 ATOM 559 CB ALA A 70 11.230 22.343 -15.153 1.00 0.00 ATOM 560 O ALA A 70 10.817 23.625 -18.030 1.00 0.00 ATOM 561 C ALA A 70 11.209 24.065 -16.946 1.00 0.00 ATOM 562 N GLU A 71 10.919 25.292 -16.525 1.00 0.00 ATOM 563 CA GLU A 71 10.172 26.224 -17.357 1.00 0.00 ATOM 564 CB GLU A 71 9.265 27.071 -16.501 1.00 0.00 ATOM 565 CG GLU A 71 8.318 26.260 -15.679 1.00 0.00 ATOM 566 CD GLU A 71 7.394 27.120 -14.886 1.00 0.00 ATOM 567 OE1 GLU A 71 7.287 28.315 -15.234 1.00 0.00 ATOM 568 OE2 GLU A 71 6.762 26.606 -13.931 1.00 0.00 ATOM 569 O GLU A 71 10.533 28.043 -18.857 1.00 0.00 ATOM 570 C GLU A 71 11.046 27.152 -18.187 1.00 0.00 ATOM 571 N GLY A 72 12.352 26.944 -18.156 1.00 0.00 ATOM 572 CA GLY A 72 13.275 27.775 -18.899 1.00 0.00 ATOM 573 O GLY A 72 13.733 30.097 -19.139 1.00 0.00 ATOM 574 C GLY A 72 13.326 29.198 -18.398 1.00 0.00 ATOM 575 N LYS A 73 12.904 29.407 -17.150 1.00 0.00 ATOM 576 CA LYS A 73 12.898 30.719 -16.544 1.00 0.00 ATOM 577 CB LYS A 73 12.064 30.723 -15.257 1.00 0.00 ATOM 578 CG LYS A 73 10.559 30.563 -15.436 1.00 0.00 ATOM 579 CD LYS A 73 9.860 31.899 -15.428 1.00 0.00 ATOM 580 CE LYS A 73 8.438 31.775 -15.916 1.00 0.00 ATOM 581 NZ LYS A 73 7.741 33.088 -15.849 1.00 0.00 ATOM 582 O LYS A 73 15.166 30.203 -15.969 1.00 0.00 ATOM 583 C LYS A 73 14.329 31.080 -16.193 1.00 0.00 ATOM 584 N LYS A 74 14.607 32.373 -16.135 1.00 0.00 ATOM 585 CA LYS A 74 15.848 32.847 -15.543 1.00 0.00 ATOM 586 CB LYS A 74 16.115 34.282 -15.976 1.00 0.00 ATOM 587 CG LYS A 74 16.388 34.401 -17.438 1.00 0.00 ATOM 588 CD LYS A 74 16.327 35.836 -17.901 1.00 0.00 ATOM 589 CE LYS A 74 17.377 36.675 -17.239 1.00 0.00 ATOM 590 NZ LYS A 74 17.766 37.855 -18.061 1.00 0.00 ATOM 591 O LYS A 74 14.710 32.902 -13.435 1.00 0.00 ATOM 592 C LYS A 74 15.780 32.771 -14.021 1.00 0.00 ATOM 593 N VAL A 75 16.937 32.592 -13.387 1.00 0.00 ATOM 594 CA VAL A 75 17.039 32.582 -11.940 1.00 0.00 ATOM 595 CB VAL A 75 18.500 32.513 -11.445 1.00 0.00 ATOM 596 CG1 VAL A 75 18.513 32.323 -9.957 1.00 0.00 ATOM 597 CG2 VAL A 75 19.263 31.389 -12.103 1.00 0.00 ATOM 598 O VAL A 75 15.637 33.737 -10.379 1.00 0.00 ATOM 599 C VAL A 75 16.410 33.824 -11.333 1.00 0.00 ATOM 600 N THR A 76 16.730 34.979 -11.896 1.00 0.00 ATOM 601 CA THR A 76 16.262 36.236 -11.349 1.00 0.00 ATOM 602 CB THR A 76 17.134 37.423 -11.804 1.00 0.00 ATOM 603 CG2 THR A 76 18.482 37.390 -11.078 1.00 0.00 ATOM 604 OG1 THR A 76 17.353 37.366 -13.211 1.00 0.00 ATOM 605 O THR A 76 14.202 37.386 -11.045 1.00 0.00 ATOM 606 C THR A 76 14.788 36.495 -11.644 1.00 0.00 ATOM 607 N ASP A 77 14.184 35.720 -12.547 1.00 0.00 ATOM 608 CA ASP A 77 12.729 35.721 -12.674 1.00 0.00 ATOM 609 CB ASP A 77 12.272 34.893 -13.873 1.00 0.00 ATOM 610 CG ASP A 77 12.674 35.485 -15.201 1.00 0.00 ATOM 611 OD1 ASP A 77 12.925 36.710 -15.303 1.00 0.00 ATOM 612 OD2 ASP A 77 12.721 34.690 -16.153 1.00 0.00 ATOM 613 O ASP A 77 10.946 35.472 -11.105 1.00 0.00 ATOM 614 C ASP A 77 12.063 35.122 -11.432 1.00 0.00 ATOM 615 N LEU A 78 12.741 34.191 -10.772 1.00 0.00 ATOM 616 CA LEU A 78 12.229 33.546 -9.561 1.00 0.00 ATOM 617 CB LEU A 78 12.911 32.191 -9.364 1.00 0.00 ATOM 618 CG LEU A 78 12.923 31.256 -10.553 1.00 0.00 ATOM 619 CD1 LEU A 78 13.585 29.970 -10.160 1.00 0.00 ATOM 620 CD2 LEU A 78 11.515 31.030 -11.072 1.00 0.00 ATOM 621 O LEU A 78 11.593 34.590 -7.493 1.00 0.00 ATOM 622 C LEU A 78 12.488 34.372 -8.315 1.00 0.00 ATOM 623 N THR A 79 13.735 34.809 -8.168 1.00 0.00 ATOM 624 CA THR A 79 14.197 35.419 -6.944 1.00 0.00 ATOM 625 CB THR A 79 15.687 35.132 -6.720 1.00 0.00 ATOM 626 CG2 THR A 79 15.932 33.661 -6.667 1.00 0.00 ATOM 627 OG1 THR A 79 16.444 35.713 -7.789 1.00 0.00 ATOM 628 O THR A 79 14.090 37.550 -5.917 1.00 0.00 ATOM 629 C THR A 79 14.067 36.923 -6.969 1.00 0.00 ATOM 630 N GLY A 80 13.963 37.493 -8.167 1.00 0.00 ATOM 631 CA GLY A 80 14.146 38.924 -8.369 1.00 0.00 ATOM 632 O GLY A 80 16.470 38.392 -8.212 1.00 0.00 ATOM 633 C GLY A 80 15.626 39.216 -8.541 1.00 0.00 ATOM 634 N GLU A 81 15.951 40.389 -9.062 1.00 0.00 ATOM 635 CA GLU A 81 17.347 40.750 -9.253 1.00 0.00 ATOM 636 CB GLU A 81 17.487 41.946 -10.186 1.00 0.00 ATOM 637 CG GLU A 81 17.226 41.599 -11.641 1.00 0.00 ATOM 638 CD GLU A 81 17.641 42.699 -12.587 1.00 0.00 ATOM 639 OE1 GLU A 81 18.073 43.770 -12.112 1.00 0.00 ATOM 640 OE2 GLU A 81 17.534 42.490 -13.814 1.00 0.00 ATOM 641 O GLU A 81 19.226 40.812 -7.814 1.00 0.00 ATOM 642 C GLU A 81 18.032 41.030 -7.932 1.00 0.00 ATOM 643 N ASP A 82 17.276 41.506 -6.943 1.00 0.00 ATOM 644 CA ASP A 82 17.771 41.607 -5.585 1.00 0.00 ATOM 645 CB ASP A 82 16.978 42.647 -4.798 1.00 0.00 ATOM 646 CG ASP A 82 17.624 42.989 -3.476 1.00 0.00 ATOM 647 OD1 ASP A 82 18.564 42.281 -3.076 1.00 0.00 ATOM 648 OD2 ASP A 82 17.196 43.977 -2.843 1.00 0.00 ATOM 649 O ASP A 82 16.785 39.971 -4.096 1.00 0.00 ATOM 650 C ASP A 82 17.693 40.243 -4.901 1.00 0.00 ATOM 651 N VAL A 83 18.677 39.403 -5.200 1.00 0.00 ATOM 652 CA VAL A 83 18.717 38.039 -4.671 1.00 0.00 ATOM 653 CB VAL A 83 19.846 37.224 -5.338 1.00 0.00 ATOM 654 CG1 VAL A 83 19.707 35.731 -4.983 1.00 0.00 ATOM 655 CG2 VAL A 83 19.822 37.419 -6.826 1.00 0.00 ATOM 656 O VAL A 83 18.385 37.095 -2.470 1.00 0.00 ATOM 657 C VAL A 83 18.894 37.993 -3.149 1.00 0.00 ATOM 658 N ALA A 84 19.618 38.971 -2.614 1.00 0.00 ATOM 659 CA ALA A 84 19.833 39.079 -1.183 1.00 0.00 ATOM 660 CB ALA A 84 20.802 40.189 -0.899 1.00 0.00 ATOM 661 O ALA A 84 18.288 38.751 0.627 1.00 0.00 ATOM 662 C ALA A 84 18.509 39.306 -0.451 1.00 0.00 ATOM 663 N ALA A 85 17.622 40.107 -1.040 1.00 0.00 ATOM 664 CA ALA A 85 16.309 40.340 -0.449 1.00 0.00 ATOM 665 CB ALA A 85 15.587 41.425 -1.177 1.00 0.00 ATOM 666 O ALA A 85 14.750 38.798 0.511 1.00 0.00 ATOM 667 C ALA A 85 15.483 39.055 -0.437 1.00 0.00 ATOM 668 N PHE A 86 15.605 38.251 -1.496 1.00 0.00 ATOM 669 CA PHE A 86 14.978 36.938 -1.550 1.00 0.00 ATOM 670 CB PHE A 86 15.268 36.276 -2.907 1.00 0.00 ATOM 671 CG PHE A 86 15.044 34.802 -2.936 1.00 0.00 ATOM 672 CD1 PHE A 86 13.771 34.289 -3.103 1.00 0.00 ATOM 673 CD2 PHE A 86 16.108 33.925 -2.844 1.00 0.00 ATOM 674 CE1 PHE A 86 13.559 32.939 -3.116 1.00 0.00 ATOM 675 CE2 PHE A 86 15.901 32.569 -2.866 1.00 0.00 ATOM 676 CZ PHE A 86 14.620 32.073 -3.004 1.00 0.00 ATOM 677 O PHE A 86 14.686 35.438 0.279 1.00 0.00 ATOM 678 C PHE A 86 15.475 36.063 -0.396 1.00 0.00 ATOM 679 N CYS A 87 16.782 36.011 -0.187 1.00 0.00 ATOM 680 CA CYS A 87 17.341 35.218 0.912 1.00 0.00 ATOM 681 CB CYS A 87 18.859 35.284 0.904 1.00 0.00 ATOM 682 SG CYS A 87 19.590 34.534 -0.519 1.00 0.00 ATOM 683 O CYS A 87 16.587 34.831 3.159 1.00 0.00 ATOM 684 C CYS A 87 16.792 35.669 2.277 1.00 0.00 ATOM 685 N ASP A 88 16.511 36.970 2.413 1.00 0.00 ATOM 686 CA ASP A 88 15.901 37.548 3.624 1.00 0.00 ATOM 687 CB ASP A 88 15.771 39.071 3.508 1.00 0.00 ATOM 688 CG ASP A 88 17.086 39.790 3.622 1.00 0.00 ATOM 689 OD1 ASP A 88 18.119 39.149 3.953 1.00 0.00 ATOM 690 OD2 ASP A 88 17.064 41.016 3.362 1.00 0.00 ATOM 691 O ASP A 88 14.184 36.689 5.032 1.00 0.00 ATOM 692 C ASP A 88 14.506 37.042 3.898 1.00 0.00 ATOM 693 N GLU A 89 13.649 37.082 2.888 1.00 0.00 ATOM 694 CA GLU A 89 12.303 36.536 3.034 1.00 0.00 ATOM 695 CB GLU A 89 11.473 36.757 1.767 1.00 0.00 ATOM 696 CG GLU A 89 10.709 38.060 1.764 1.00 0.00 ATOM 697 CD GLU A 89 9.789 38.169 2.967 1.00 0.00 ATOM 698 OE1 GLU A 89 8.985 37.229 3.180 1.00 0.00 ATOM 699 OE2 GLU A 89 9.892 39.176 3.706 1.00 0.00 ATOM 700 O GLU A 89 11.602 34.514 4.140 1.00 0.00 ATOM 701 C GLU A 89 12.382 35.050 3.346 1.00 0.00 ATOM 702 N LEU A 90 13.335 34.394 2.701 1.00 0.00 ATOM 703 CA LEU A 90 13.534 32.974 2.868 1.00 0.00 ATOM 704 CB LEU A 90 14.646 32.508 1.930 1.00 0.00 ATOM 705 CG LEU A 90 14.888 31.025 1.711 1.00 0.00 ATOM 706 CD1 LEU A 90 13.648 30.351 1.188 1.00 0.00 ATOM 707 CD2 LEU A 90 16.021 30.861 0.734 1.00 0.00 ATOM 708 O LEU A 90 13.338 31.797 4.921 1.00 0.00 ATOM 709 C LEU A 90 13.889 32.690 4.326 1.00 0.00 ATOM 710 N MET A 91 14.784 33.489 4.888 1.00 0.00 ATOM 711 CA MET A 91 15.314 33.280 6.244 1.00 0.00 ATOM 712 CB MET A 91 16.746 33.799 6.305 1.00 0.00 ATOM 713 CG MET A 91 17.733 33.007 5.535 1.00 0.00 ATOM 714 SD MET A 91 18.113 31.348 6.398 1.00 0.00 ATOM 715 CE MET A 91 18.833 32.056 8.081 1.00 0.00 ATOM 716 O MET A 91 14.994 33.864 8.528 1.00 0.00 ATOM 717 C MET A 91 14.556 33.959 7.387 1.00 0.00 ATOM 718 N LYS A 92 13.443 34.635 7.108 1.00 0.00 ATOM 719 CA LYS A 92 12.857 35.551 8.092 1.00 0.00 ATOM 720 CB LYS A 92 11.672 36.344 7.498 1.00 0.00 ATOM 721 CG LYS A 92 10.382 35.546 7.248 1.00 0.00 ATOM 722 CD LYS A 92 9.220 36.465 6.830 1.00 0.00 ATOM 723 O LYS A 92 12.463 35.559 10.472 1.00 0.00 ATOM 724 C LYS A 92 12.456 34.892 9.421 1.00 0.00 ATOM 725 N ASP A 93 12.117 33.603 9.377 1.00 0.00 ATOM 726 CA ASP A 93 11.695 32.875 10.576 1.00 0.00 ATOM 727 CB ASP A 93 10.300 32.277 10.357 1.00 0.00 ATOM 728 CG ASP A 93 9.222 33.347 10.229 1.00 0.00 ATOM 729 OD1 ASP A 93 9.138 34.220 11.124 1.00 0.00 ATOM 730 OD2 ASP A 93 8.462 33.312 9.233 1.00 0.00 ATOM 731 O ASP A 93 12.371 30.865 11.700 1.00 0.00 ATOM 732 C ASP A 93 12.691 31.787 10.957 1.00 0.00 ATOM 733 N THR A 94 13.905 31.907 10.446 1.00 0.00 ATOM 734 CA THR A 94 14.963 30.954 10.727 1.00 0.00 ATOM 735 CB THR A 94 15.504 30.349 9.425 1.00 0.00 ATOM 736 CG2 THR A 94 16.677 29.428 9.671 1.00 0.00 ATOM 737 OG1 THR A 94 14.465 29.603 8.798 1.00 0.00 ATOM 738 O THR A 94 16.449 32.803 11.130 1.00 0.00 ATOM 739 C THR A 94 16.062 31.684 11.484 1.00 0.00 ATOM 740 N LYS A 95 16.558 31.037 12.526 1.00 0.00 ATOM 741 CA LYS A 95 17.623 31.581 13.342 1.00 0.00 ATOM 742 CB LYS A 95 17.876 30.682 14.561 1.00 0.00 ATOM 743 CG LYS A 95 18.848 31.275 15.591 1.00 0.00 ATOM 744 CD LYS A 95 19.058 30.335 16.801 1.00 0.00 ATOM 745 CE LYS A 95 17.882 30.348 17.789 1.00 0.00 ATOM 746 O LYS A 95 19.248 30.718 11.824 1.00 0.00 ATOM 747 C LYS A 95 18.880 31.678 12.504 1.00 0.00 ATOM 748 N THR A 96 19.506 32.855 12.548 1.00 0.00 ATOM 749 CA THR A 96 20.791 33.118 11.907 1.00 0.00 ATOM 750 CB THR A 96 20.836 34.513 11.233 1.00 0.00 ATOM 751 CG2 THR A 96 19.646 34.750 10.373 1.00 0.00 ATOM 752 OG1 THR A 96 20.890 35.538 12.229 1.00 0.00 ATOM 753 O THR A 96 21.647 33.224 14.153 1.00 0.00 ATOM 754 C THR A 96 21.900 33.104 12.943 1.00 0.00 ATOM 755 N TRP A 97 23.138 32.982 12.483 1.00 0.00 ATOM 756 CA TRP A 97 24.282 33.120 13.390 1.00 0.00 ATOM 757 CB TRP A 97 25.602 32.864 12.670 1.00 0.00 ATOM 758 CG TRP A 97 25.859 31.439 12.390 1.00 0.00 ATOM 759 CD1 TRP A 97 25.830 30.830 11.180 1.00 0.00 ATOM 760 CD2 TRP A 97 26.187 30.425 13.345 1.00 0.00 ATOM 761 CE2 TRP A 97 26.339 29.220 12.637 1.00 0.00 ATOM 762 CE3 TRP A 97 26.366 30.421 14.729 1.00 0.00 ATOM 763 NE1 TRP A 97 26.118 29.493 11.317 1.00 0.00 ATOM 764 CZ2 TRP A 97 26.665 28.019 13.263 1.00 0.00 ATOM 765 CZ3 TRP A 97 26.688 29.230 15.353 1.00 0.00 ATOM 766 CH2 TRP A 97 26.834 28.043 14.618 1.00 0.00 ATOM 767 O TRP A 97 24.659 34.645 15.187 1.00 0.00 ATOM 768 C TRP A 97 24.294 34.505 14.028 1.00 0.00 ATOM 769 N MET A 98 23.884 35.531 13.287 1.00 0.00 ATOM 770 CA MET A 98 23.794 36.876 13.878 1.00 0.00 ATOM 771 CB MET A 98 23.356 37.915 12.851 1.00 0.00 ATOM 772 CG MET A 98 24.481 38.484 12.031 1.00 0.00 ATOM 773 SD MET A 98 25.885 39.410 13.038 1.00 0.00 ATOM 774 CE MET A 98 27.159 38.350 12.981 1.00 0.00 ATOM 775 O MET A 98 23.177 37.484 16.108 1.00 0.00 ATOM 776 C MET A 98 22.844 36.912 15.072 1.00 0.00 ATOM 777 N ASP A 99 21.678 36.291 14.928 1.00 0.00 ATOM 778 CA ASP A 99 20.743 36.112 16.042 1.00 0.00 ATOM 779 CB ASP A 99 19.581 35.205 15.642 1.00 0.00 ATOM 780 CG ASP A 99 18.681 35.827 14.629 1.00 0.00 ATOM 781 OD1 ASP A 99 18.637 37.068 14.560 1.00 0.00 ATOM 782 OD2 ASP A 99 18.014 35.078 13.896 1.00 0.00 ATOM 783 O ASP A 99 21.244 36.010 18.386 1.00 0.00 ATOM 784 C ASP A 99 21.427 35.520 17.271 1.00 0.00 ATOM 785 N LYS A 100 22.207 34.463 17.061 1.00 0.00 ATOM 786 CA LYS A 100 22.960 33.834 18.140 1.00 0.00 ATOM 787 CB LYS A 100 23.635 32.551 17.657 1.00 0.00 ATOM 788 CG LYS A 100 22.661 31.443 17.301 1.00 0.00 ATOM 789 CD LYS A 100 23.389 30.150 16.927 1.00 0.00 ATOM 790 CE LYS A 100 23.861 29.375 18.161 1.00 0.00 ATOM 791 NZ LYS A 100 22.721 28.767 18.913 1.00 0.00 ATOM 792 O LYS A 100 24.237 34.757 19.936 1.00 0.00 ATOM 793 C LYS A 100 24.013 34.765 18.731 1.00 0.00 ATOM 794 N TYR A 101 24.672 35.563 17.896 1.00 0.00 ATOM 795 CA TYR A 101 25.705 36.469 18.410 1.00 0.00 ATOM 796 CB TYR A 101 26.576 37.017 17.284 1.00 0.00 ATOM 797 CG TYR A 101 27.301 35.979 16.467 1.00 0.00 ATOM 798 CD1 TYR A 101 27.767 34.793 17.020 1.00 0.00 ATOM 799 CD2 TYR A 101 27.542 36.202 15.143 1.00 0.00 ATOM 800 CE1 TYR A 101 28.431 33.860 16.238 1.00 0.00 ATOM 801 CE2 TYR A 101 28.201 35.292 14.361 1.00 0.00 ATOM 802 CZ TYR A 101 28.651 34.125 14.923 1.00 0.00 ATOM 803 OH TYR A 101 29.306 33.216 14.128 1.00 0.00 ATOM 804 O TYR A 101 25.761 38.121 20.131 1.00 0.00 ATOM 805 C TYR A 101 25.119 37.624 19.209 1.00 0.00 ATOM 806 N ARG A 102 23.924 38.068 18.841 1.00 0.00 ATOM 807 CA ARG A 102 23.206 39.089 19.612 1.00 0.00 ATOM 808 CB ARG A 102 21.888 39.474 18.940 1.00 0.00 ATOM 809 CG ARG A 102 22.034 40.126 17.578 1.00 0.00 ATOM 810 CD ARG A 102 20.691 40.244 16.876 1.00 0.00 ATOM 811 NE ARG A 102 19.877 41.323 17.433 1.00 0.00 ATOM 812 CZ ARG A 102 20.028 42.616 17.142 1.00 0.00 ATOM 813 NH1 ARG A 102 20.971 43.010 16.286 1.00 0.00 ATOM 814 NH2 ARG A 102 19.231 43.520 17.715 1.00 0.00 ATOM 815 O ARG A 102 23.124 39.282 22.005 1.00 0.00 ATOM 816 C ARG A 102 22.922 38.574 21.020 1.00 0.00 ATOM 817 N THR A 103 22.463 37.331 21.103 1.00 0.00 ATOM 818 CA THR A 103 22.246 36.679 22.382 1.00 0.00 ATOM 819 CB THR A 103 21.641 35.285 22.178 1.00 0.00 ATOM 820 CG2 THR A 103 21.319 34.610 23.515 1.00 0.00 ATOM 821 OG1 THR A 103 20.440 35.422 21.420 1.00 0.00 ATOM 822 O THR A 103 23.572 36.912 24.347 1.00 0.00 ATOM 823 C THR A 103 23.543 36.569 23.174 1.00 0.00 ATOM 824 N LYS A 104 24.613 36.095 22.541 1.00 0.00 ATOM 825 CA LYS A 104 25.909 35.995 23.224 1.00 0.00 ATOM 826 CB LYS A 104 26.980 35.440 22.275 1.00 0.00 ATOM 827 CG LYS A 104 28.301 35.082 22.968 1.00 0.00 ATOM 828 CD LYS A 104 29.278 34.373 22.026 1.00 0.00 ATOM 829 O LYS A 104 26.731 37.448 24.960 1.00 0.00 ATOM 830 C LYS A 104 26.340 37.357 23.811 1.00 0.00 ATOM 831 N LEU A 105 26.231 38.418 23.018 1.00 0.00 ATOM 832 CA LEU A 105 26.603 39.758 23.466 1.00 0.00 ATOM 833 CB LEU A 105 26.394 40.755 22.321 1.00 0.00 ATOM 834 CG LEU A 105 26.676 42.222 22.676 1.00 0.00 ATOM 835 CD1 LEU A 105 28.098 42.396 23.109 1.00 0.00 ATOM 836 CD2 LEU A 105 26.357 43.101 21.528 1.00 0.00 ATOM 837 O LEU A 105 26.313 40.564 25.736 1.00 0.00 ATOM 838 C LEU A 105 25.776 40.175 24.688 1.00 0.00 ATOM 839 N ASN A 106 24.459 40.080 24.545 1.00 0.00 ATOM 840 CA ASN A 106 23.538 40.464 25.614 1.00 0.00 ATOM 841 CB ASN A 106 22.095 40.372 25.115 1.00 0.00 ATOM 842 CG ASN A 106 21.771 41.406 24.030 1.00 0.00 ATOM 843 ND2 ASN A 106 20.636 41.218 23.386 1.00 0.00 ATOM 844 OD1 ASN A 106 22.513 42.370 23.798 1.00 0.00 ATOM 845 O ASN A 106 23.703 40.183 27.978 1.00 0.00 ATOM 846 C ASN A 106 23.723 39.640 26.890 1.00 0.00 ATOM 847 N ASP A 107 23.929 38.336 26.749 1.00 0.00 ATOM 848 CA ASP A 107 24.175 37.470 27.905 1.00 0.00 ATOM 849 CB ASP A 107 24.107 35.987 27.498 1.00 0.00 ATOM 850 CG ASP A 107 22.691 35.532 27.144 1.00 0.00 ATOM 851 OD1 ASP A 107 21.731 36.319 27.328 1.00 0.00 ATOM 852 OD2 ASP A 107 22.539 34.380 26.675 1.00 0.00 ATOM 853 O ASP A 107 25.678 37.720 29.761 1.00 0.00 ATOM 854 C ASP A 107 25.527 37.765 28.541 1.00 0.00 ATOM 855 N SER A 108 26.517 38.057 27.716 1.00 0.00 ATOM 856 CA SER A 108 27.850 38.386 28.212 1.00 0.00 ATOM 857 CB SER A 108 28.797 38.597 27.027 1.00 0.00 ATOM 858 OG SER A 108 30.099 38.855 27.497 1.00 0.00 ATOM 859 O SER A 108 28.441 39.625 30.172 1.00 0.00 ATOM 860 C SER A 108 27.851 39.616 29.101 1.00 0.00 ATOM 861 N ILE A 109 27.183 40.665 28.662 1.00 0.00 ATOM 862 CA ILE A 109 27.180 41.917 29.399 1.00 0.00 ATOM 863 CB ILE A 109 26.929 43.112 28.468 1.00 0.00 ATOM 864 CG1 ILE A 109 28.196 43.380 27.656 1.00 0.00 ATOM 865 CG2 ILE A 109 26.597 44.406 29.250 1.00 0.00 ATOM 866 CD1 ILE A 109 27.992 44.248 26.480 1.00 0.00 ATOM 867 O ILE A 109 26.443 42.402 31.626 1.00 0.00 ATOM 868 C ILE A 109 26.194 41.845 30.563 1.00 0.00 ATOM 869 N GLY A 110 25.088 41.137 30.364 1.00 0.00 ATOM 870 CA GLY A 110 24.120 40.926 31.434 1.00 0.00 ATOM 871 O GLY A 110 23.170 43.101 31.156 1.00 0.00 ATOM 872 C GLY A 110 23.583 42.244 31.946 1.00 0.00 ATOM 873 N ARG A 111 23.603 42.416 33.266 1.00 0.00 ATOM 874 CA ARG A 111 23.151 43.655 33.884 1.00 0.00 ATOM 875 CB ARG A 111 22.236 43.346 35.086 1.00 0.00 ATOM 876 CG ARG A 111 21.030 42.457 34.744 1.00 0.00 ATOM 877 CD ARG A 111 20.032 42.378 35.896 1.00 0.00 ATOM 878 O ARG A 111 24.168 45.389 35.178 1.00 0.00 ATOM 879 C ARG A 111 24.331 44.541 34.312 1.00 0.00 ATOM 880 N ASP A 112 25.504 44.361 33.693 1.00 0.00 ATOM 881 CA ASP A 112 26.713 45.164 34.027 1.00 0.00 ATOM 882 CB ASP A 112 27.966 44.613 33.305 1.00 0.00 ATOM 883 CG ASP A 112 28.492 43.306 33.911 1.00 0.00 ATOM 884 OD1 ASP A 112 28.113 42.956 35.058 1.00 0.00 ATOM 885 OD2 ASP A 112 29.303 42.635 33.226 1.00 0.00 ATOM 886 O ASP A 112 27.322 47.501 34.212 1.00 0.00 ATOM 887 C ASP A 112 26.569 46.661 33.693 1.00 0.00 ENDMDL # command:# Prefix for output files set to decoys/ # command:# request to SCWRL produces command: ulimit -t 101 ; scwrl3 -i /var/tmp/to_scwrl_1890768726.pdb -s /var/tmp/to_scwrl_1890768726.seq -o /var/tmp/from_scwrl_1890768726.pdb > /var/tmp/scwrl_1890768726.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1890768726.pdb # conformation set from SCWRL output # command:# naming current conformation model1-scwrl # command:# ReadConformPDB reading from PDB file model2.ts-submitted looking for model 1 # Found a chain break before 110 # copying to AlignedFragments data structure # command:Warning: Couldn't open file decoys/model2.gdt for output # fraction of real conformation used = 1.000 # GDT_score = -33.482 # GDT_score(maxd=8.000,maxw=2.900)= -30.576 # GDT_score(maxd=8.000,maxw=3.200)= -29.511 # GDT_score(maxd=8.000,maxw=3.500)= -28.450 # GDT_score(maxd=10.000,maxw=3.800)= -31.447 # GDT_score(maxd=10.000,maxw=4.000)= -30.652 # GDT_score(maxd=10.000,maxw=4.200)= -29.915 # GDT_score(maxd=12.000,maxw=4.300)= -32.860 # GDT_score(maxd=12.000,maxw=4.500)= -32.074 # GDT_score(maxd=12.000,maxw=4.700)= -31.323 # GDT_score(maxd=14.000,maxw=5.200)= -32.144 # GDT_score(maxd=14.000,maxw=5.500)= -30.964 # command:# request to SCWRL produces command: ulimit -t 101 ; scwrl3 -i /var/tmp/to_scwrl_594363705.pdb -s /var/tmp/to_scwrl_594363705.seq -o /var/tmp/from_scwrl_594363705.pdb > /var/tmp/scwrl_594363705.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_594363705.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 97 # copying to AlignedFragments data structure # command:Warning: Couldn't open file decoys/model3.gdt for output # fraction of real conformation used = 1.000 # GDT_score = -32.589 # GDT_score(maxd=8.000,maxw=2.900)= -31.447 # GDT_score(maxd=8.000,maxw=3.200)= -30.263 # GDT_score(maxd=8.000,maxw=3.500)= -29.094 # GDT_score(maxd=10.000,maxw=3.800)= -31.675 # GDT_score(maxd=10.000,maxw=4.000)= -30.801 # GDT_score(maxd=10.000,maxw=4.200)= -29.943 # GDT_score(maxd=12.000,maxw=4.300)= -32.791 # GDT_score(maxd=12.000,maxw=4.500)= -31.881 # GDT_score(maxd=12.000,maxw=4.700)= -30.951 # GDT_score(maxd=14.000,maxw=5.200)= -31.557 # GDT_score(maxd=14.000,maxw=5.500)= -30.323 # command:# request to SCWRL produces command: ulimit -t 101 ; scwrl3 -i /var/tmp/to_scwrl_2139193664.pdb -s /var/tmp/to_scwrl_2139193664.seq -o /var/tmp/from_scwrl_2139193664.pdb > /var/tmp/scwrl_2139193664.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2139193664.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 88 # copying to AlignedFragments data structure # command:Warning: Couldn't open file decoys/model4.gdt for output # fraction of real conformation used = 1.000 # GDT_score = -30.580 # GDT_score(maxd=8.000,maxw=2.900)= -30.484 # GDT_score(maxd=8.000,maxw=3.200)= -29.315 # GDT_score(maxd=8.000,maxw=3.500)= -28.125 # GDT_score(maxd=10.000,maxw=3.800)= -29.917 # GDT_score(maxd=10.000,maxw=4.000)= -29.051 # GDT_score(maxd=10.000,maxw=4.200)= -28.263 # GDT_score(maxd=12.000,maxw=4.300)= -30.524 # GDT_score(maxd=12.000,maxw=4.500)= -29.723 # GDT_score(maxd=12.000,maxw=4.700)= -28.990 # GDT_score(maxd=14.000,maxw=5.200)= -29.566 # GDT_score(maxd=14.000,maxw=5.500)= -28.471 # command:# request to SCWRL produces command: ulimit -t 101 ; scwrl3 -i /var/tmp/to_scwrl_675066904.pdb -s /var/tmp/to_scwrl_675066904.seq -o /var/tmp/from_scwrl_675066904.pdb > /var/tmp/scwrl_675066904.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_675066904.pdb # conformation set from SCWRL output # command:# naming current conformation model4-scwrl # command:# ReadConformPDB reading from PDB file model5.ts-submitted looking for model 1 # Found a chain break before 80 # copying to AlignedFragments data structure # command:Warning: Couldn't open file decoys/model5.gdt for output # fraction of real conformation used = 1.000 # GDT_score = -40.848 # GDT_score(maxd=8.000,maxw=2.900)= -40.911 # GDT_score(maxd=8.000,maxw=3.200)= -38.656 # GDT_score(maxd=8.000,maxw=3.500)= -36.659 # GDT_score(maxd=10.000,maxw=3.800)= -39.440 # GDT_score(maxd=10.000,maxw=4.000)= -38.175 # GDT_score(maxd=10.000,maxw=4.200)= -36.942 # GDT_score(maxd=12.000,maxw=4.300)= -39.943 # GDT_score(maxd=12.000,maxw=4.500)= -38.707 # GDT_score(maxd=12.000,maxw=4.700)= -37.554 # GDT_score(maxd=14.000,maxw=5.200)= -37.653 # GDT_score(maxd=14.000,maxw=5.500)= -36.093 # command:# request to SCWRL produces command: ulimit -t 101 ; scwrl3 -i /var/tmp/to_scwrl_1203644844.pdb -s /var/tmp/to_scwrl_1203644844.seq -o /var/tmp/from_scwrl_1203644844.pdb > /var/tmp/scwrl_1203644844.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1203644844.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 T0283.try1-opt2.pdb looking for model 1 # Found a chain break before 47 # copying to AlignedFragments data structure # command:Warning: Couldn't open file decoys/try1.gdt for output # fraction of real conformation used = 1.000 # GDT_score = -32.143 # GDT_score(maxd=8.000,maxw=2.900)= -30.195 # GDT_score(maxd=8.000,maxw=3.200)= -29.070 # GDT_score(maxd=8.000,maxw=3.500)= -27.957 # GDT_score(maxd=10.000,maxw=3.800)= -30.542 # GDT_score(maxd=10.000,maxw=4.000)= -29.720 # GDT_score(maxd=10.000,maxw=4.200)= -28.834 # GDT_score(maxd=12.000,maxw=4.300)= -31.739 # GDT_score(maxd=12.000,maxw=4.500)= -30.815 # GDT_score(maxd=12.000,maxw=4.700)= -29.959 # GDT_score(maxd=14.000,maxw=5.200)= -30.638 # GDT_score(maxd=14.000,maxw=5.500)= -29.485 # command:# Prefix for output files set to # command:Warning: Couldn't open file T0283.try1-real.pdb for output Error: Couldn't open file T0283.try1-real.pdb for output superimposing iter= 0 total_weight= 1335.000 rmsd (weighted)= 13.506 (unweighted)= 16.138 superimposing iter= 1 total_weight= 2820.439 rmsd (weighted)= 7.112 (unweighted)= 16.324 superimposing iter= 2 total_weight= 1361.900 rmsd (weighted)= 5.608 (unweighted)= 16.484 superimposing iter= 3 total_weight= 1134.061 rmsd (weighted)= 4.868 (unweighted)= 16.618 superimposing iter= 4 total_weight= 1166.655 rmsd (weighted)= 4.161 (unweighted)= 16.751 superimposing iter= 5 total_weight= 1185.322 rmsd (weighted)= 3.523 (unweighted)= 16.884 EXPDTA T0283.try1-opt2.pdb MODEL 1 REMARK 44 REMARK 44 model 1 is called T0283.try1-opt2.pdb ATOM 1 N MET A 1 34.204 24.186 1.666 1.00 0.00 ATOM 2 CA MET A 1 34.265 25.611 2.081 1.00 0.00 ATOM 3 CB MET A 1 32.935 26.250 1.842 1.00 0.00 ATOM 4 CG MET A 1 32.023 25.334 0.989 1.00 0.00 ATOM 5 SD MET A 1 30.243 26.125 1.022 1.00 0.00 ATOM 6 CE MET A 1 30.800 27.941 1.205 1.00 0.00 ATOM 7 O MET A 1 34.930 24.655 4.173 1.00 0.00 ATOM 8 C MET A 1 34.885 25.661 3.475 1.00 0.00 ATOM 9 N SER A 2 35.388 26.830 3.909 1.00 0.00 ATOM 10 CA SER A 2 36.081 26.941 5.191 1.00 0.00 ATOM 11 CB SER A 2 36.645 28.344 5.424 1.00 0.00 ATOM 12 OG SER A 2 37.661 28.647 4.484 1.00 0.00 ATOM 13 O SER A 2 35.600 26.056 7.375 1.00 0.00 ATOM 14 C SER A 2 35.165 26.642 6.380 1.00 0.00 ATOM 15 N PHE A 3 33.895 26.991 6.262 1.00 0.00 ATOM 16 CA PHE A 3 32.943 26.714 7.332 1.00 0.00 ATOM 17 CB PHE A 3 31.634 27.558 7.086 1.00 0.00 ATOM 18 CG PHE A 3 31.841 29.042 6.985 1.00 0.00 ATOM 19 CD1 PHE A 3 32.966 29.650 7.529 1.00 0.00 ATOM 20 CD2 PHE A 3 30.926 29.828 6.294 1.00 0.00 ATOM 21 CE1 PHE A 3 33.178 31.020 7.374 1.00 0.00 ATOM 22 CE2 PHE A 3 31.136 31.202 6.139 1.00 0.00 ATOM 23 CZ PHE A 3 32.268 31.791 6.681 1.00 0.00 ATOM 24 O PHE A 3 32.452 24.757 8.616 1.00 0.00 ATOM 25 C PHE A 3 32.728 25.215 7.509 1.00 0.00 ATOM 26 N ILE A 4 32.851 24.448 6.426 1.00 0.00 ATOM 27 CA ILE A 4 32.673 23.002 6.515 1.00 0.00 ATOM 28 CB ILE A 4 32.722 22.384 5.088 1.00 0.00 ATOM 29 CG1 ILE A 4 31.577 22.976 4.229 1.00 0.00 ATOM 30 CG2 ILE A 4 32.577 20.874 5.171 1.00 0.00 ATOM 31 CD1 ILE A 4 31.684 22.552 2.772 1.00 0.00 ATOM 32 O ILE A 4 33.428 21.491 8.216 1.00 0.00 ATOM 33 C ILE A 4 33.720 22.409 7.450 1.00 0.00 ATOM 34 N GLU A 5 34.937 22.934 7.400 1.00 0.00 ATOM 35 CA GLU A 5 35.978 22.437 8.285 1.00 0.00 ATOM 36 CB GLU A 5 37.314 22.947 7.955 1.00 0.00 ATOM 37 CG GLU A 5 37.819 22.304 6.665 1.00 0.00 ATOM 38 CD GLU A 5 39.104 22.924 6.150 1.00 0.00 ATOM 39 OE1 GLU A 5 39.687 23.773 6.857 1.00 0.00 ATOM 40 OE2 GLU A 5 39.540 22.549 5.045 1.00 0.00 ATOM 41 O GLU A 5 35.807 21.924 10.612 1.00 0.00 ATOM 42 C GLU A 5 35.615 22.752 9.726 1.00 0.00 ATOM 43 N LYS A 6 35.088 23.949 9.964 1.00 0.00 ATOM 44 CA LYS A 6 34.697 24.320 11.316 1.00 0.00 ATOM 45 CB LYS A 6 34.294 25.795 11.372 1.00 0.00 ATOM 46 CG LYS A 6 35.466 26.736 11.142 1.00 0.00 ATOM 47 CD LYS A 6 35.050 28.193 11.229 1.00 0.00 ATOM 48 CE LYS A 6 36.235 29.109 10.953 1.00 0.00 ATOM 49 NZ LYS A 6 35.846 30.541 10.979 1.00 0.00 ATOM 50 O LYS A 6 33.495 23.020 12.933 1.00 0.00 ATOM 51 C LYS A 6 33.561 23.407 11.767 1.00 0.00 ATOM 52 N MET A 7 32.676 23.052 10.840 1.00 0.00 ATOM 53 CA MET A 7 31.574 22.152 11.161 1.00 0.00 ATOM 54 CB MET A 7 30.551 22.138 10.014 1.00 0.00 ATOM 55 CG MET A 7 29.830 23.462 9.815 1.00 0.00 ATOM 56 SD MET A 7 28.931 23.977 11.292 1.00 0.00 ATOM 57 CE MET A 7 27.332 23.232 10.990 1.00 0.00 ATOM 58 O MET A 7 31.599 20.082 12.380 1.00 0.00 ATOM 59 C MET A 7 32.120 20.765 11.499 1.00 0.00 ATOM 60 N ILE A 8 33.174 20.352 10.804 1.00 0.00 ATOM 61 CA ILE A 8 33.784 19.050 11.074 1.00 0.00 ATOM 62 CB ILE A 8 35.019 18.811 10.176 1.00 0.00 ATOM 63 CG1 ILE A 8 34.609 18.817 8.699 1.00 0.00 ATOM 64 CG2 ILE A 8 35.713 17.521 10.575 1.00 0.00 ATOM 65 CD1 ILE A 8 35.755 18.546 7.749 1.00 0.00 ATOM 66 O ILE A 8 33.931 17.953 13.225 1.00 0.00 ATOM 67 C ILE A 8 34.185 18.957 12.549 1.00 0.00 ATOM 68 N GLY A 9 34.872 20.098 12.963 1.00 0.00 ATOM 69 CA GLY A 9 35.303 20.158 14.359 1.00 0.00 ATOM 70 O GLY A 9 34.235 19.534 16.415 1.00 0.00 ATOM 71 C GLY A 9 34.137 20.140 15.351 1.00 0.00 ATOM 72 N SER A 10 33.049 20.824 15.010 1.00 0.00 ATOM 73 CA SER A 10 31.855 20.840 15.857 1.00 0.00 ATOM 74 CB SER A 10 31.979 21.924 16.930 1.00 0.00 ATOM 75 OG SER A 10 30.883 21.880 17.827 1.00 0.00 ATOM 76 O SER A 10 30.237 22.279 14.834 1.00 0.00 ATOM 77 C SER A 10 30.625 21.127 15.010 1.00 0.00 ATOM 78 N LEU A 11 29.993 20.069 14.515 1.00 0.00 ATOM 79 CA LEU A 11 28.819 20.224 13.667 1.00 0.00 ATOM 80 CB LEU A 11 28.399 18.873 13.083 1.00 0.00 ATOM 81 CG LEU A 11 29.383 18.217 12.114 1.00 0.00 ATOM 82 CD1 LEU A 11 28.895 16.835 11.707 1.00 0.00 ATOM 83 CD2 LEU A 11 29.540 19.055 10.855 1.00 0.00 ATOM 84 O LEU A 11 26.677 21.289 13.737 1.00 0.00 ATOM 85 C LEU A 11 27.626 20.837 14.380 1.00 0.00 ATOM 86 N ASN A 12 27.674 20.857 15.723 1.00 0.00 ATOM 87 CA ASN A 12 26.583 21.426 16.505 1.00 0.00 ATOM 88 CB ASN A 12 26.551 20.795 17.898 1.00 0.00 ATOM 89 CG ASN A 12 26.139 19.336 17.867 1.00 0.00 ATOM 90 ND2 ASN A 12 26.597 18.572 18.852 1.00 0.00 ATOM 91 OD1 ASN A 12 25.418 18.904 16.969 1.00 0.00 ATOM 92 O ASN A 12 25.873 23.558 17.343 1.00 0.00 ATOM 93 C ASN A 12 26.705 22.940 16.680 1.00 0.00 ATOM 94 N ASP A 13 27.744 23.544 16.104 1.00 0.00 ATOM 95 CA ASP A 13 27.896 24.989 16.230 1.00 0.00 ATOM 96 CB ASP A 13 29.338 25.405 15.931 1.00 0.00 ATOM 97 CG ASP A 13 29.567 26.892 16.114 1.00 0.00 ATOM 98 OD1 ASP A 13 28.578 27.621 16.339 1.00 0.00 ATOM 99 OD2 ASP A 13 30.734 27.329 16.033 1.00 0.00 ATOM 100 O ASP A 13 27.142 25.738 14.083 1.00 0.00 ATOM 101 C ASP A 13 26.883 25.619 15.280 1.00 0.00 ATOM 102 N LYS A 14 25.774 25.984 15.849 1.00 0.00 ATOM 103 CA LYS A 14 24.716 26.579 15.041 1.00 0.00 ATOM 104 CB LYS A 14 23.448 26.787 15.873 1.00 0.00 ATOM 105 CG LYS A 14 23.580 27.847 16.952 1.00 0.00 ATOM 106 CD LYS A 14 22.299 27.974 17.762 1.00 0.00 ATOM 107 CE LYS A 14 22.419 29.062 18.817 1.00 0.00 ATOM 108 NZ LYS A 14 21.160 29.218 19.597 1.00 0.00 ATOM 109 O LYS A 14 24.548 28.339 13.416 1.00 0.00 ATOM 110 C LYS A 14 25.091 27.936 14.448 1.00 0.00 ATOM 111 N ARG A 15 26.017 28.643 15.089 1.00 0.00 ATOM 112 CA ARG A 15 26.455 29.943 14.586 1.00 0.00 ATOM 113 CB ARG A 15 27.285 30.703 15.570 1.00 0.00 ATOM 114 CG ARG A 15 26.496 31.219 16.781 1.00 0.00 ATOM 115 CD ARG A 15 27.413 31.868 17.818 1.00 0.00 ATOM 116 NE ARG A 15 26.700 32.251 19.036 1.00 0.00 ATOM 117 CZ ARG A 15 25.857 33.276 19.127 1.00 0.00 ATOM 118 NH1 ARG A 15 25.611 34.038 18.068 1.00 0.00 ATOM 119 NH2 ARG A 15 25.250 33.534 20.278 1.00 0.00 ATOM 120 O ARG A 15 26.999 30.499 12.309 1.00 0.00 ATOM 121 C ARG A 15 27.188 29.739 13.262 1.00 0.00 ATOM 122 N GLU A 16 27.954 28.689 13.205 1.00 0.00 ATOM 123 CA GLU A 16 28.688 28.374 11.987 1.00 0.00 ATOM 124 CB GLU A 16 29.611 27.175 12.213 1.00 0.00 ATOM 125 CG GLU A 16 30.759 27.446 13.172 1.00 0.00 ATOM 126 CD GLU A 16 31.823 28.342 12.569 1.00 0.00 ATOM 127 OE1 GLU A 16 31.737 28.633 11.356 1.00 0.00 ATOM 128 OE2 GLU A 16 32.741 28.755 13.308 1.00 0.00 ATOM 129 O GLU A 16 27.855 28.520 9.741 1.00 0.00 ATOM 130 C GLU A 16 27.711 28.036 10.863 1.00 0.00 ATOM 131 N TRP A 17 26.711 27.216 11.161 1.00 0.00 ATOM 132 CA TRP A 17 25.722 26.843 10.154 1.00 0.00 ATOM 133 CB TRP A 17 24.783 25.810 10.763 1.00 0.00 ATOM 134 CG TRP A 17 23.507 25.610 10.032 1.00 0.00 ATOM 135 CD1 TRP A 17 23.320 25.209 8.742 1.00 0.00 ATOM 136 CD2 TRP A 17 22.215 25.820 10.584 1.00 0.00 ATOM 137 CE2 TRP A 17 21.276 25.539 9.586 1.00 0.00 ATOM 138 CE3 TRP A 17 21.760 26.253 11.836 1.00 0.00 ATOM 139 NE1 TRP A 17 21.979 25.149 8.474 1.00 0.00 ATOM 140 CZ2 TRP A 17 19.904 25.631 9.806 1.00 0.00 ATOM 141 CZ3 TRP A 17 20.414 26.336 12.072 1.00 0.00 ATOM 142 CH2 TRP A 17 19.489 26.039 11.054 1.00 0.00 ATOM 143 O TRP A 17 24.809 28.190 8.407 1.00 0.00 ATOM 144 C TRP A 17 24.988 28.063 9.602 1.00 0.00 ATOM 145 N LYS A 18 24.610 28.986 10.486 1.00 0.00 ATOM 146 CA LYS A 18 23.922 30.208 10.073 1.00 0.00 ATOM 147 CB LYS A 18 23.571 31.064 11.291 1.00 0.00 ATOM 148 CG LYS A 18 22.478 30.476 12.170 1.00 0.00 ATOM 149 CD LYS A 18 22.183 31.374 13.360 1.00 0.00 ATOM 150 CE LYS A 18 21.109 30.774 14.251 1.00 0.00 ATOM 151 NZ LYS A 18 20.833 31.626 15.441 1.00 0.00 ATOM 152 O LYS A 18 24.375 31.469 8.089 1.00 0.00 ATOM 153 C LYS A 18 24.814 31.011 9.146 1.00 0.00 ATOM 154 N ALA A 19 26.068 31.181 9.544 1.00 0.00 ATOM 155 CA ALA A 19 27.008 31.931 8.728 1.00 0.00 ATOM 156 CB ALA A 19 28.347 32.054 9.439 1.00 0.00 ATOM 157 O ALA A 19 27.366 31.898 6.359 1.00 0.00 ATOM 158 C ALA A 19 27.240 31.234 7.387 1.00 0.00 ATOM 159 N MET A 20 27.299 29.903 7.391 1.00 0.00 ATOM 160 CA MET A 20 27.503 29.172 6.142 1.00 0.00 ATOM 161 CB MET A 20 27.668 27.674 6.489 1.00 0.00 ATOM 162 CG MET A 20 27.926 26.786 5.291 1.00 0.00 ATOM 163 SD MET A 20 28.114 25.062 5.776 1.00 0.00 ATOM 164 CE MET A 20 29.888 24.942 5.918 1.00 0.00 ATOM 165 O MET A 20 26.525 29.558 3.990 1.00 0.00 ATOM 166 C MET A 20 26.335 29.448 5.198 1.00 0.00 ATOM 167 N GLU A 21 25.137 29.562 5.722 1.00 0.00 ATOM 168 CA GLU A 21 23.973 29.843 4.887 1.00 0.00 ATOM 169 CB GLU A 21 22.685 29.714 5.703 1.00 0.00 ATOM 170 CG GLU A 21 22.338 28.286 6.094 1.00 0.00 ATOM 171 CD GLU A 21 22.178 27.376 4.892 1.00 0.00 ATOM 172 OE1 GLU A 21 21.406 27.731 3.978 1.00 0.00 ATOM 173 OE2 GLU A 21 22.823 26.308 4.866 1.00 0.00 ATOM 174 O GLU A 21 23.718 31.488 3.156 1.00 0.00 ATOM 175 C GLU A 21 24.072 31.260 4.314 1.00 0.00 ATOM 176 N ALA A 22 24.563 32.205 5.110 1.00 0.00 ATOM 177 CA ALA A 22 24.734 33.582 4.639 1.00 0.00 ATOM 178 CB ALA A 22 25.227 34.471 5.804 1.00 0.00 ATOM 179 O ALA A 22 25.444 34.266 2.438 1.00 0.00 ATOM 180 C ALA A 22 25.676 33.573 3.433 1.00 0.00 ATOM 181 N ARG A 23 26.739 32.779 3.530 1.00 0.00 ATOM 182 CA ARG A 23 27.713 32.664 2.448 1.00 0.00 ATOM 183 CB ARG A 23 28.923 31.847 2.902 1.00 0.00 ATOM 184 CG ARG A 23 30.025 31.736 1.861 1.00 0.00 ATOM 185 CD ARG A 23 31.242 31.017 2.419 1.00 0.00 ATOM 186 NE ARG A 23 32.311 30.902 1.429 1.00 0.00 ATOM 187 CZ ARG A 23 33.458 30.265 1.639 1.00 0.00 ATOM 188 NH1 ARG A 23 34.373 30.210 0.679 1.00 0.00 ATOM 189 NH2 ARG A 23 33.688 29.680 2.807 1.00 0.00 ATOM 190 O ARG A 23 27.429 32.361 0.082 1.00 0.00 ATOM 191 C ARG A 23 27.127 31.978 1.213 1.00 0.00 ATOM 192 N ALA A 24 26.312 30.968 1.425 1.00 0.00 ATOM 193 CA ALA A 24 25.704 30.257 0.304 1.00 0.00 ATOM 194 CB ALA A 24 24.734 29.199 0.810 1.00 0.00 ATOM 195 O ALA A 24 25.118 31.255 -1.803 1.00 0.00 ATOM 196 C ALA A 24 24.969 31.260 -0.581 1.00 0.00 ATOM 197 N LYS A 25 24.192 32.136 0.046 1.00 0.00 ATOM 198 CA LYS A 25 23.433 33.139 -0.686 1.00 0.00 ATOM 199 CB LYS A 25 22.417 33.817 0.225 1.00 0.00 ATOM 200 CG LYS A 25 21.547 34.848 -0.487 1.00 0.00 ATOM 201 CD LYS A 25 20.619 35.568 0.482 1.00 0.00 ATOM 202 CE LYS A 25 21.386 36.463 1.435 1.00 0.00 ATOM 203 NZ LYS A 25 22.111 37.559 0.733 1.00 0.00 ATOM 204 O LYS A 25 24.128 34.663 -2.411 1.00 0.00 ATOM 205 C LYS A 25 24.296 34.261 -1.259 1.00 0.00 ATOM 206 N ALA A 26 25.210 34.775 -0.429 1.00 0.00 ATOM 207 CA ALA A 26 26.086 35.859 -0.851 1.00 0.00 ATOM 208 CB ALA A 26 26.987 36.268 0.305 1.00 0.00 ATOM 209 O ALA A 26 26.914 36.088 -3.098 1.00 0.00 ATOM 210 C ALA A 26 26.902 35.409 -2.070 1.00 0.00 ATOM 211 N LEU A 27 27.578 34.266 -1.954 1.00 0.00 ATOM 212 CA LEU A 27 28.399 33.735 -3.045 1.00 0.00 ATOM 213 CB LEU A 27 29.721 33.259 -2.437 1.00 0.00 ATOM 214 CG LEU A 27 30.811 32.843 -3.426 1.00 0.00 ATOM 215 CD1 LEU A 27 31.253 34.030 -4.269 1.00 0.00 ATOM 216 CD2 LEU A 27 32.027 32.304 -2.690 1.00 0.00 ATOM 217 O LEU A 27 27.516 31.470 -3.124 1.00 0.00 ATOM 218 C LEU A 27 27.511 32.622 -3.575 1.00 0.00 ATOM 219 N PRO A 28 26.516 33.224 -4.465 1.00 0.00 ATOM 220 CA PRO A 28 25.504 32.315 -4.999 1.00 0.00 ATOM 221 CB PRO A 28 25.046 32.991 -6.294 1.00 0.00 ATOM 222 CG PRO A 28 26.223 33.799 -6.729 1.00 0.00 ATOM 223 CD PRO A 28 26.881 34.290 -5.471 1.00 0.00 ATOM 224 O PRO A 28 26.300 30.557 -6.445 1.00 0.00 ATOM 225 C PRO A 28 26.062 30.920 -5.291 1.00 0.00 ATOM 226 N LYS A 29 26.260 30.142 -4.231 1.00 0.00 ATOM 227 CA LYS A 29 26.795 28.790 -4.349 1.00 0.00 ATOM 228 CB LYS A 29 27.534 28.120 -3.520 1.00 0.00 ATOM 229 CG LYS A 29 28.997 28.214 -4.083 1.00 0.00 ATOM 230 CD LYS A 29 30.006 27.326 -3.305 1.00 0.00 ATOM 231 CE LYS A 29 29.799 25.850 -3.574 1.00 0.00 ATOM 232 NZ LYS A 29 30.821 25.019 -2.857 1.00 0.00 ATOM 233 O LYS A 29 24.568 27.952 -4.692 1.00 0.00 ATOM 234 C LYS A 29 25.771 27.813 -4.918 1.00 0.00 ATOM 235 N GLU A 30 26.258 26.822 -5.661 1.00 0.00 ATOM 236 CA GLU A 30 25.398 25.802 -6.250 1.00 0.00 ATOM 237 CB GLU A 30 26.223 24.821 -7.086 1.00 0.00 ATOM 238 CG GLU A 30 25.393 23.789 -7.831 1.00 0.00 ATOM 239 CD GLU A 30 26.244 22.851 -8.665 1.00 0.00 ATOM 240 OE1 GLU A 30 27.478 23.036 -8.695 1.00 0.00 ATOM 241 OE2 GLU A 30 25.674 21.931 -9.289 1.00 0.00 ATOM 242 O GLU A 30 25.360 24.352 -4.348 1.00 0.00 ATOM 243 C GLU A 30 24.709 25.067 -5.106 1.00 0.00 ATOM 244 N TYR A 31 23.396 25.232 -4.986 1.00 0.00 ATOM 245 CA TYR A 31 22.670 24.585 -3.900 1.00 0.00 ATOM 246 CB TYR A 31 21.238 25.120 -3.820 1.00 0.00 ATOM 247 CG TYR A 31 21.140 26.530 -3.280 1.00 0.00 ATOM 248 CD1 TYR A 31 20.927 27.604 -4.134 1.00 0.00 ATOM 249 CD2 TYR A 31 21.263 26.781 -1.919 1.00 0.00 ATOM 250 CE1 TYR A 31 20.835 28.896 -3.650 1.00 0.00 ATOM 251 CE2 TYR A 31 21.174 28.065 -1.418 1.00 0.00 ATOM 252 CZ TYR A 31 20.959 29.126 -2.297 1.00 0.00 ATOM 253 OH TYR A 31 20.869 30.410 -1.812 1.00 0.00 ATOM 254 O TYR A 31 22.448 22.370 -3.028 1.00 0.00 ATOM 255 C TYR A 31 22.581 23.071 -4.031 1.00 0.00 ATOM 256 N HIS A 32 22.657 22.553 -5.252 1.00 0.00 ATOM 257 CA HIS A 32 22.606 21.107 -5.432 1.00 0.00 ATOM 258 CB HIS A 32 22.573 20.689 -6.873 1.00 0.00 ATOM 259 CG HIS A 32 21.413 21.198 -7.679 1.00 0.00 ATOM 260 CD2 HIS A 32 20.153 21.579 -7.336 1.00 0.00 ATOM 261 ND1 HIS A 32 21.529 21.266 -9.063 1.00 0.00 ATOM 262 CE1 HIS A 32 20.372 21.704 -9.503 1.00 0.00 ATOM 263 NE2 HIS A 32 19.533 21.904 -8.497 1.00 0.00 ATOM 264 O HIS A 32 23.861 19.499 -4.126 1.00 0.00 ATOM 265 C HIS A 32 23.898 20.515 -4.837 1.00 0.00 ATOM 266 N HIS A 33 25.035 21.154 -5.098 1.00 0.00 ATOM 267 CA HIS A 33 26.293 20.676 -4.527 1.00 0.00 ATOM 268 CB HIS A 33 27.455 21.571 -4.963 1.00 0.00 ATOM 269 CG HIS A 33 28.784 21.145 -4.420 1.00 0.00 ATOM 270 CD2 HIS A 33 29.702 21.649 -3.412 1.00 0.00 ATOM 271 ND1 HIS A 33 29.446 20.023 -4.869 1.00 0.00 ATOM 272 CE1 HIS A 33 30.604 19.900 -4.198 1.00 0.00 ATOM 273 NE2 HIS A 33 30.766 20.873 -3.322 1.00 0.00 ATOM 274 O HIS A 33 26.601 19.737 -2.342 1.00 0.00 ATOM 275 C HIS A 33 26.173 20.677 -3.006 1.00 0.00 ATOM 276 N ALA A 34 25.578 21.734 -2.461 1.00 0.00 ATOM 277 CA ALA A 34 25.403 21.827 -1.013 1.00 0.00 ATOM 278 CB ALA A 34 24.772 23.143 -0.627 1.00 0.00 ATOM 279 O ALA A 34 24.693 20.196 0.598 1.00 0.00 ATOM 280 C ALA A 34 24.506 20.693 -0.511 1.00 0.00 ATOM 281 N TYR A 35 23.537 20.283 -1.327 1.00 0.00 ATOM 282 CA TYR A 35 22.653 19.183 -0.947 1.00 0.00 ATOM 283 CB TYR A 35 21.550 18.999 -1.993 1.00 0.00 ATOM 284 CG TYR A 35 20.588 17.877 -1.675 1.00 0.00 ATOM 285 CD1 TYR A 35 19.590 18.042 -0.723 1.00 0.00 ATOM 286 CD2 TYR A 35 20.681 16.655 -2.328 1.00 0.00 ATOM 287 CE1 TYR A 35 18.707 17.023 -0.427 1.00 0.00 ATOM 288 CE2 TYR A 35 19.806 15.622 -2.045 1.00 0.00 ATOM 289 CZ TYR A 35 18.813 15.817 -1.085 1.00 0.00 ATOM 290 OH TYR A 35 17.935 14.800 -0.791 1.00 0.00 ATOM 291 O TYR A 35 23.299 17.200 0.161 1.00 0.00 ATOM 292 C TYR A 35 23.453 17.915 -0.809 1.00 0.00 ATOM 293 N LYS A 36 24.290 17.670 -1.754 1.00 0.00 ATOM 294 CA LYS A 36 25.148 16.485 -1.698 1.00 0.00 ATOM 295 CB LYS A 36 26.030 16.374 -2.943 1.00 0.00 ATOM 296 CG LYS A 36 25.260 16.108 -4.227 1.00 0.00 ATOM 297 CD LYS A 36 26.195 16.014 -5.422 1.00 0.00 ATOM 298 CE LYS A 36 25.424 15.747 -6.704 1.00 0.00 ATOM 299 NZ LYS A 36 26.324 15.682 -7.889 1.00 0.00 ATOM 300 O LYS A 36 26.282 15.495 0.173 1.00 0.00 ATOM 301 C LYS A 36 26.019 16.523 -0.451 1.00 0.00 ATOM 302 N ALA A 37 26.473 17.720 -0.092 1.00 0.00 ATOM 303 CA ALA A 37 27.303 17.879 1.092 1.00 0.00 ATOM 304 CB ALA A 37 27.822 19.306 1.185 1.00 0.00 ATOM 305 O ALA A 37 26.999 16.798 3.217 1.00 0.00 ATOM 306 C ALA A 37 26.540 17.574 2.375 1.00 0.00 ATOM 307 N ILE A 38 25.360 18.197 2.541 1.00 0.00 ATOM 308 CA ILE A 38 24.583 17.992 3.752 1.00 0.00 ATOM 309 CB ILE A 38 23.331 18.886 3.791 1.00 0.00 ATOM 310 CG1 ILE A 38 23.729 20.363 3.842 1.00 0.00 ATOM 311 CG2 ILE A 38 22.489 18.572 5.017 1.00 0.00 ATOM 312 CD1 ILE A 38 24.578 20.724 5.042 1.00 0.00 ATOM 313 O ILE A 38 23.943 16.022 4.968 1.00 0.00 ATOM 314 C ILE A 38 24.108 16.545 3.865 1.00 0.00 ATOM 315 N GLN A 39 23.906 15.889 2.730 1.00 0.00 ATOM 316 CA GLN A 39 23.485 14.492 2.707 1.00 0.00 ATOM 317 CB GLN A 39 23.375 13.990 1.265 1.00 0.00 ATOM 318 CG GLN A 39 22.902 12.550 1.145 1.00 0.00 ATOM 319 CD GLN A 39 22.788 12.094 -0.296 1.00 0.00 ATOM 320 OE1 GLN A 39 23.143 12.826 -1.220 1.00 0.00 ATOM 321 NE2 GLN A 39 22.289 10.878 -0.492 1.00 0.00 ATOM 322 O GLN A 39 24.179 12.836 4.317 1.00 0.00 ATOM 323 C GLN A 39 24.520 13.651 3.457 1.00 0.00 ATOM 324 N LYS A 40 25.792 13.864 3.140 1.00 0.00 ATOM 325 CA LYS A 40 26.856 13.116 3.792 1.00 0.00 ATOM 326 CB LYS A 40 28.205 13.425 3.139 1.00 0.00 ATOM 327 CG LYS A 40 28.360 12.857 1.738 1.00 0.00 ATOM 328 CD LYS A 40 29.721 13.196 1.153 1.00 0.00 ATOM 329 CE LYS A 40 29.863 12.657 -0.262 1.00 0.00 ATOM 330 NZ LYS A 40 31.183 13.003 -0.859 1.00 0.00 ATOM 331 O LYS A 40 27.174 12.609 6.116 1.00 0.00 ATOM 332 C LYS A 40 26.951 13.476 5.275 1.00 0.00 ATOM 333 N TYR A 41 26.771 14.753 5.595 1.00 0.00 ATOM 334 CA TYR A 41 26.849 15.193 6.985 1.00 0.00 ATOM 335 CB TYR A 41 26.809 16.747 7.065 1.00 0.00 ATOM 336 CG TYR A 41 28.076 17.451 6.628 1.00 0.00 ATOM 337 CD1 TYR A 41 29.230 17.422 7.420 1.00 0.00 ATOM 338 CD2 TYR A 41 28.121 18.168 5.438 1.00 0.00 ATOM 339 CE1 TYR A 41 30.400 18.076 7.013 1.00 0.00 ATOM 340 CE2 TYR A 41 29.264 18.818 5.031 1.00 0.00 ATOM 341 CZ TYR A 41 30.404 18.780 5.805 1.00 0.00 ATOM 342 OH TYR A 41 31.535 19.446 5.372 1.00 0.00 ATOM 343 O TYR A 41 26.024 14.103 8.967 1.00 0.00 ATOM 344 C TYR A 41 25.755 14.576 7.860 1.00 0.00 ATOM 345 N MET A 42 24.523 14.575 7.363 1.00 0.00 ATOM 346 CA MET A 42 23.417 14.006 8.120 1.00 0.00 ATOM 347 CB MET A 42 22.090 14.383 7.378 1.00 0.00 ATOM 348 CG MET A 42 20.791 13.894 8.020 1.00 0.00 ATOM 349 SD MET A 42 20.408 12.154 7.715 1.00 0.00 ATOM 350 CE MET A 42 20.078 12.185 5.942 1.00 0.00 ATOM 351 O MET A 42 23.275 11.990 9.410 1.00 0.00 ATOM 352 C MET A 42 23.603 12.509 8.343 1.00 0.00 ATOM 353 N TRP A 43 24.129 11.819 7.273 1.00 0.00 ATOM 354 CA TRP A 43 24.357 10.383 7.381 1.00 0.00 ATOM 355 CB TRP A 43 25.025 9.861 6.109 1.00 0.00 ATOM 356 CG TRP A 43 25.292 8.388 6.132 1.00 0.00 ATOM 357 CD1 TRP A 43 24.425 7.391 5.785 1.00 0.00 ATOM 358 CD2 TRP A 43 26.510 7.743 6.524 1.00 0.00 ATOM 359 CE2 TRP A 43 26.308 6.354 6.389 1.00 0.00 ATOM 360 CE3 TRP A 43 27.752 8.202 6.975 1.00 0.00 ATOM 361 NE1 TRP A 43 25.027 6.166 5.936 1.00 0.00 ATOM 362 CZ2 TRP A 43 27.302 5.422 6.688 1.00 0.00 ATOM 363 CZ3 TRP A 43 28.733 7.274 7.271 1.00 0.00 ATOM 364 CH2 TRP A 43 28.506 5.902 7.127 1.00 0.00 ATOM 365 O TRP A 43 24.966 9.319 9.459 1.00 0.00 ATOM 366 C TRP A 43 25.250 10.169 8.611 1.00 0.00 ATOM 367 N THR A 44 26.338 10.953 8.767 1.00 0.00 ATOM 368 CA THR A 44 27.241 10.809 9.896 1.00 0.00 ATOM 369 CB THR A 44 28.496 11.681 9.704 1.00 0.00 ATOM 370 CG2 THR A 44 29.444 11.518 10.882 1.00 0.00 ATOM 371 OG1 THR A 44 29.174 11.288 8.504 1.00 0.00 ATOM 372 O THR A 44 26.833 10.522 12.245 1.00 0.00 ATOM 373 C THR A 44 26.613 11.194 11.236 1.00 0.00 ATOM 374 N SER A 45 25.839 12.276 11.243 1.00 0.00 ATOM 375 CA SER A 45 25.195 12.743 12.468 1.00 0.00 ATOM 376 CB SER A 45 25.819 14.074 12.895 1.00 0.00 ATOM 377 OG SER A 45 27.186 13.912 13.228 1.00 0.00 ATOM 378 O SER A 45 23.220 14.093 12.228 1.00 0.00 ATOM 379 C SER A 45 23.698 12.960 12.269 1.00 0.00 ATOM 380 N GLY A 46 22.937 11.862 12.167 1.00 0.00 ATOM 381 CA GLY A 46 21.487 11.897 11.964 1.00 0.00 ATOM 382 O GLY A 46 19.724 13.311 12.754 1.00 0.00 ATOM 383 C GLY A 46 20.685 12.602 13.043 1.00 0.00 ATOM 384 N GLY A 47 21.075 12.433 14.326 1.00 0.00 ATOM 385 CA GLY A 47 20.374 13.064 15.431 1.00 0.00 ATOM 386 O GLY A 47 19.496 15.058 16.389 1.00 0.00 ATOM 387 C GLY A 47 20.364 14.557 15.659 1.00 0.00 ATOM 388 N PRO A 48 21.382 15.234 14.950 1.00 0.00 ATOM 389 CA PRO A 48 21.414 16.695 15.094 1.00 0.00 ATOM 390 CB PRO A 48 22.528 17.309 14.972 1.00 0.00 ATOM 391 CG PRO A 48 23.607 16.280 14.644 1.00 0.00 ATOM 392 CD PRO A 48 23.107 15.022 15.355 1.00 0.00 ATOM 393 O PRO A 48 19.868 17.323 13.370 1.00 0.00 ATOM 394 C PRO A 48 20.310 17.575 14.489 1.00 0.00 ATOM 395 N THR A 49 19.853 18.591 15.224 1.00 0.00 ATOM 396 CA THR A 49 18.786 19.471 14.729 1.00 0.00 ATOM 397 CB THR A 49 18.265 20.406 15.837 1.00 0.00 ATOM 398 CG2 THR A 49 17.197 21.338 15.286 1.00 0.00 ATOM 399 OG1 THR A 49 17.697 19.626 16.896 1.00 0.00 ATOM 400 O THR A 49 18.452 20.614 12.645 1.00 0.00 ATOM 401 C THR A 49 19.207 20.391 13.591 1.00 0.00 ATOM 402 N ASP A 50 20.406 20.946 13.706 1.00 0.00 ATOM 403 CA ASP A 50 20.905 21.888 12.715 1.00 0.00 ATOM 404 CB ASP A 50 22.280 22.420 13.126 1.00 0.00 ATOM 405 CG ASP A 50 22.204 23.400 14.280 1.00 0.00 ATOM 406 OD1 ASP A 50 21.085 23.848 14.606 1.00 0.00 ATOM 407 OD2 ASP A 50 23.264 23.720 14.859 1.00 0.00 ATOM 408 O ASP A 50 20.824 22.023 10.330 1.00 0.00 ATOM 409 C ASP A 50 21.100 21.332 11.314 1.00 0.00 ATOM 410 N TRP A 51 21.567 20.091 11.213 1.00 0.00 ATOM 411 CA TRP A 51 21.822 19.506 9.902 1.00 0.00 ATOM 412 CB TRP A 51 22.652 18.234 10.023 1.00 0.00 ATOM 413 CG TRP A 51 24.053 18.535 10.485 1.00 0.00 ATOM 414 CD1 TRP A 51 24.629 18.170 11.667 1.00 0.00 ATOM 415 CD2 TRP A 51 25.039 19.300 9.784 1.00 0.00 ATOM 416 CE2 TRP A 51 26.194 19.340 10.588 1.00 0.00 ATOM 417 CE3 TRP A 51 25.072 19.939 8.538 1.00 0.00 ATOM 418 NE1 TRP A 51 25.918 18.644 11.735 1.00 0.00 ATOM 419 CZ2 TRP A 51 27.354 19.999 10.198 1.00 0.00 ATOM 420 CZ3 TRP A 51 26.227 20.594 8.154 1.00 0.00 ATOM 421 CH2 TRP A 51 27.350 20.621 8.980 1.00 0.00 ATOM 422 O TRP A 51 20.481 19.421 7.920 1.00 0.00 ATOM 423 C TRP A 51 20.541 19.222 9.133 1.00 0.00 ATOM 424 N GLN A 52 19.505 18.782 9.836 1.00 0.00 ATOM 425 CA GLN A 52 18.244 18.518 9.173 1.00 0.00 ATOM 426 CB GLN A 52 17.272 17.824 10.129 1.00 0.00 ATOM 427 CG GLN A 52 17.656 16.393 10.475 1.00 0.00 ATOM 428 CD GLN A 52 16.734 15.777 11.509 1.00 0.00 ATOM 429 OE1 GLN A 52 15.856 16.448 12.051 1.00 0.00 ATOM 430 NE2 GLN A 52 16.930 14.493 11.784 1.00 0.00 ATOM 431 O GLN A 52 17.158 19.948 7.582 1.00 0.00 ATOM 432 C GLN A 52 17.644 19.841 8.707 1.00 0.00 ATOM 433 N ASP A 53 17.672 20.858 9.569 1.00 0.00 ATOM 434 CA ASP A 53 17.116 22.152 9.194 1.00 0.00 ATOM 435 CB ASP A 53 17.226 23.139 10.357 1.00 0.00 ATOM 436 CG ASP A 53 16.255 22.828 11.478 1.00 0.00 ATOM 437 OD1 ASP A 53 15.342 22.005 11.262 1.00 0.00 ATOM 438 OD2 ASP A 53 16.408 23.408 12.574 1.00 0.00 ATOM 439 O ASP A 53 17.220 23.262 7.075 1.00 0.00 ATOM 440 C ASP A 53 17.848 22.725 7.987 1.00 0.00 ATOM 441 N THR A 54 19.221 22.584 7.915 1.00 0.00 ATOM 442 CA THR A 54 19.979 23.082 6.782 1.00 0.00 ATOM 443 CB THR A 54 21.370 22.236 6.531 1.00 0.00 ATOM 444 CG2 THR A 54 22.454 22.975 5.744 1.00 0.00 ATOM 445 OG1 THR A 54 21.948 21.687 7.719 1.00 0.00 ATOM 446 O THR A 54 19.374 23.056 4.453 1.00 0.00 ATOM 447 C THR A 54 19.535 22.400 5.486 1.00 0.00 ATOM 448 N LYS A 55 19.337 21.087 5.545 1.00 0.00 ATOM 449 CA LYS A 55 18.909 20.331 4.368 1.00 0.00 ATOM 450 CB LYS A 55 18.773 18.846 4.705 1.00 0.00 ATOM 451 CG LYS A 55 18.383 17.975 3.523 1.00 0.00 ATOM 452 CD LYS A 55 18.343 16.504 3.911 1.00 0.00 ATOM 453 CE LYS A 55 17.924 15.635 2.736 1.00 0.00 ATOM 454 NZ LYS A 55 17.866 14.194 3.104 1.00 0.00 ATOM 455 O LYS A 55 17.352 20.984 2.665 1.00 0.00 ATOM 456 C LYS A 55 17.558 20.832 3.869 1.00 0.00 ATOM 457 N ARG A 56 16.637 21.088 4.792 1.00 0.00 ATOM 458 CA ARG A 56 15.328 21.602 4.410 1.00 0.00 ATOM 459 CB ARG A 56 14.458 21.825 5.649 1.00 0.00 ATOM 460 CG ARG A 56 13.982 20.541 6.312 1.00 0.00 ATOM 461 CD ARG A 56 13.188 20.833 7.574 1.00 0.00 ATOM 462 NE ARG A 56 12.746 19.609 8.239 1.00 0.00 ATOM 463 CZ ARG A 56 12.098 19.582 9.398 1.00 0.00 ATOM 464 NH1 ARG A 56 11.737 18.421 9.928 1.00 0.00 ATOM 465 NH2 ARG A 56 11.812 20.715 10.026 1.00 0.00 ATOM 466 O ARG A 56 14.796 23.176 2.670 1.00 0.00 ATOM 467 C ARG A 56 15.465 22.937 3.676 1.00 0.00 ATOM 468 N ILE A 57 16.347 23.801 4.175 1.00 0.00 ATOM 469 CA ILE A 57 16.554 25.096 3.546 1.00 0.00 ATOM 470 CB ILE A 57 17.581 25.899 4.369 1.00 0.00 ATOM 471 CG1 ILE A 57 16.930 26.400 5.666 1.00 0.00 ATOM 472 CG2 ILE A 57 18.173 27.016 3.515 1.00 0.00 ATOM 473 CD1 ILE A 57 17.891 27.112 6.643 1.00 0.00 ATOM 474 O ILE A 57 16.594 25.642 1.233 1.00 0.00 ATOM 475 C ILE A 57 17.052 24.915 2.123 1.00 0.00 ATOM 476 N PHE A 58 17.946 23.954 1.901 1.00 0.00 ATOM 477 CA PHE A 58 18.532 23.743 0.568 1.00 0.00 ATOM 478 CB PHE A 58 19.679 22.782 0.567 1.00 0.00 ATOM 479 CG PHE A 58 20.983 23.371 1.079 1.00 0.00 ATOM 480 CD1 PHE A 58 21.604 24.398 0.362 1.00 0.00 ATOM 481 CD2 PHE A 58 21.551 22.913 2.262 1.00 0.00 ATOM 482 CE1 PHE A 58 22.775 24.910 0.815 1.00 0.00 ATOM 483 CE2 PHE A 58 22.739 23.435 2.704 1.00 0.00 ATOM 484 CZ PHE A 58 23.373 24.455 2.004 1.00 0.00 ATOM 485 O PHE A 58 17.530 23.507 -1.595 1.00 0.00 ATOM 486 C PHE A 58 17.505 23.185 -0.408 1.00 0.00 ATOM 487 N GLY A 59 16.637 22.363 0.101 1.00 0.00 ATOM 488 CA GLY A 59 15.606 21.770 -0.732 1.00 0.00 ATOM 489 O GLY A 59 14.273 22.738 -2.452 1.00 0.00 ATOM 490 C GLY A 59 14.639 22.801 -1.280 1.00 0.00 ATOM 491 N GLY A 60 14.209 23.748 -0.453 1.00 0.00 ATOM 492 CA GLY A 60 13.303 24.788 -0.906 1.00 0.00 ATOM 493 O GLY A 60 13.339 25.903 -3.055 1.00 0.00 ATOM 494 C GLY A 60 13.964 25.620 -2.025 1.00 0.00 ATOM 495 N ILE A 61 15.184 26.084 -1.784 1.00 0.00 ATOM 496 CA ILE A 61 15.871 26.903 -2.814 1.00 0.00 ATOM 497 CB ILE A 61 17.207 27.454 -2.325 1.00 0.00 ATOM 498 CG1 ILE A 61 16.980 28.452 -1.183 1.00 0.00 ATOM 499 CG2 ILE A 61 17.954 28.150 -3.468 1.00 0.00 ATOM 500 CD1 ILE A 61 18.273 28.819 -0.421 1.00 0.00 ATOM 501 O ILE A 61 15.919 26.577 -5.191 1.00 0.00 ATOM 502 C ILE A 61 16.082 26.065 -4.076 1.00 0.00 ATOM 503 N LEU A 62 16.503 24.806 -3.912 1.00 0.00 ATOM 504 CA LEU A 62 16.677 23.951 -5.073 1.00 0.00 ATOM 505 CB LEU A 62 17.184 22.572 -4.662 1.00 0.00 ATOM 506 CG LEU A 62 18.619 22.515 -4.128 1.00 0.00 ATOM 507 CD1 LEU A 62 18.880 21.140 -3.545 1.00 0.00 ATOM 508 CD2 LEU A 62 19.607 22.833 -5.251 1.00 0.00 ATOM 509 O LEU A 62 15.426 23.838 -7.106 1.00 0.00 ATOM 510 C LEU A 62 15.396 23.779 -5.871 1.00 0.00 ATOM 511 N ASP A 63 14.275 23.592 -5.164 1.00 0.00 ATOM 512 CA ASP A 63 12.950 23.454 -5.779 1.00 0.00 ATOM 513 CB ASP A 63 11.880 23.243 -4.705 1.00 0.00 ATOM 514 CG ASP A 63 11.936 21.857 -4.092 1.00 0.00 ATOM 515 OD1 ASP A 63 12.636 20.988 -4.652 1.00 0.00 ATOM 516 OD2 ASP A 63 11.280 21.641 -3.052 1.00 0.00 ATOM 517 O ASP A 63 12.005 24.667 -7.603 1.00 0.00 ATOM 518 C ASP A 63 12.619 24.725 -6.546 1.00 0.00 ATOM 519 N LEU A 64 12.928 25.888 -5.984 1.00 0.00 ATOM 520 CA LEU A 64 12.650 27.160 -6.652 1.00 0.00 ATOM 521 CB LEU A 64 13.181 28.325 -5.815 1.00 0.00 ATOM 522 CG LEU A 64 12.426 28.627 -4.519 1.00 0.00 ATOM 523 CD1 LEU A 64 13.165 29.672 -3.697 1.00 0.00 ATOM 524 CD2 LEU A 64 11.032 29.157 -4.818 1.00 0.00 ATOM 525 O LEU A 64 12.702 27.487 -9.032 1.00 0.00 ATOM 526 C LEU A 64 13.333 27.180 -8.016 1.00 0.00 ATOM 527 N PHE A 65 14.590 26.781 -8.023 1.00 0.00 ATOM 528 CA PHE A 65 15.394 26.740 -9.266 1.00 0.00 ATOM 529 CB PHE A 65 16.837 26.337 -8.956 1.00 0.00 ATOM 530 CG PHE A 65 17.718 26.254 -10.171 1.00 0.00 ATOM 531 CD1 PHE A 65 18.233 27.401 -10.749 1.00 0.00 ATOM 532 CD2 PHE A 65 18.030 25.029 -10.735 1.00 0.00 ATOM 533 CE1 PHE A 65 19.043 27.326 -11.867 1.00 0.00 ATOM 534 CE2 PHE A 65 18.840 24.953 -11.852 1.00 0.00 ATOM 535 CZ PHE A 65 19.346 26.095 -12.419 1.00 0.00 ATOM 536 O PHE A 65 14.719 26.030 -11.449 1.00 0.00 ATOM 537 C PHE A 65 14.836 25.736 -10.257 1.00 0.00 ATOM 538 N GLU A 66 14.529 24.529 -9.766 1.00 0.00 ATOM 539 CA GLU A 66 14.106 23.462 -10.642 1.00 0.00 ATOM 540 CB GLU A 66 13.928 22.160 -9.856 1.00 0.00 ATOM 541 CG GLU A 66 13.514 20.972 -10.711 1.00 0.00 ATOM 542 CD GLU A 66 13.380 19.695 -9.904 1.00 0.00 ATOM 543 OE1 GLU A 66 13.624 19.737 -8.680 1.00 0.00 ATOM 544 OE2 GLU A 66 13.031 18.652 -10.497 1.00 0.00 ATOM 545 O GLU A 66 12.596 23.703 -12.489 1.00 0.00 ATOM 546 C GLU A 66 12.775 23.842 -11.278 1.00 0.00 ATOM 547 N GLU A 67 11.886 24.296 -10.462 1.00 0.00 ATOM 548 CA GLU A 67 10.579 24.700 -10.966 1.00 0.00 ATOM 549 CB GLU A 67 9.643 25.054 -9.808 1.00 0.00 ATOM 550 CG GLU A 67 9.207 23.859 -8.975 1.00 0.00 ATOM 551 CD GLU A 67 8.383 24.260 -7.767 1.00 0.00 ATOM 552 OE1 GLU A 67 8.215 25.478 -7.542 1.00 0.00 ATOM 553 OE2 GLU A 67 7.907 23.358 -7.047 1.00 0.00 ATOM 554 O GLU A 67 9.930 25.960 -12.883 1.00 0.00 ATOM 555 C GLU A 67 10.644 25.911 -11.886 1.00 0.00 ATOM 556 N GLY A 68 11.491 26.892 -11.533 1.00 0.00 ATOM 557 CA GLY A 68 11.695 28.062 -12.381 1.00 0.00 ATOM 558 O GLY A 68 11.774 28.134 -14.772 1.00 0.00 ATOM 559 C GLY A 68 12.216 27.635 -13.739 1.00 0.00 ATOM 560 N ALA A 69 13.169 26.689 -13.743 1.00 0.00 ATOM 561 CA ALA A 69 13.744 26.198 -14.993 1.00 0.00 ATOM 562 CB ALA A 69 14.809 25.150 -14.710 1.00 0.00 ATOM 563 O ALA A 69 12.480 25.914 -17.015 1.00 0.00 ATOM 564 C ALA A 69 12.635 25.578 -15.843 1.00 0.00 ATOM 565 N ALA A 70 11.818 24.719 -15.228 1.00 0.00 ATOM 566 CA ALA A 70 10.716 24.071 -15.928 1.00 0.00 ATOM 567 CB ALA A 70 10.127 22.922 -15.100 1.00 0.00 ATOM 568 O ALA A 70 8.920 24.849 -17.327 1.00 0.00 ATOM 569 C ALA A 70 9.639 25.071 -16.349 1.00 0.00 ATOM 570 N GLU A 71 9.523 26.170 -15.608 1.00 0.00 ATOM 571 CA GLU A 71 8.530 27.182 -15.935 1.00 0.00 ATOM 572 CB GLU A 71 7.759 27.627 -14.650 1.00 0.00 ATOM 573 CG GLU A 71 7.192 26.426 -13.911 1.00 0.00 ATOM 574 CD GLU A 71 6.014 25.789 -14.642 1.00 0.00 ATOM 575 OE1 GLU A 71 5.368 26.430 -15.516 1.00 0.00 ATOM 576 OE2 GLU A 71 5.725 24.652 -14.315 1.00 0.00 ATOM 577 O GLU A 71 8.295 29.036 -17.440 1.00 0.00 ATOM 578 C GLU A 71 9.008 28.119 -17.037 1.00 0.00 ATOM 579 N GLY A 72 10.222 27.893 -17.523 1.00 0.00 ATOM 580 CA GLY A 72 10.736 28.731 -18.591 1.00 0.00 ATOM 581 O GLY A 72 11.875 30.770 -19.039 1.00 0.00 ATOM 582 C GLY A 72 11.569 29.912 -18.180 1.00 0.00 ATOM 583 N LYS A 73 11.943 30.050 -16.917 1.00 0.00 ATOM 584 CA LYS A 73 12.747 31.174 -16.476 1.00 0.00 ATOM 585 CB LYS A 73 12.493 31.448 -14.984 1.00 0.00 ATOM 586 CG LYS A 73 11.069 31.838 -14.629 1.00 0.00 ATOM 587 CD LYS A 73 10.627 33.155 -15.229 1.00 0.00 ATOM 588 CE LYS A 73 9.185 33.483 -14.880 1.00 0.00 ATOM 589 NZ LYS A 73 9.063 34.621 -13.936 1.00 0.00 ATOM 590 O LYS A 73 14.697 29.840 -16.916 1.00 0.00 ATOM 591 C LYS A 73 14.225 30.970 -16.785 1.00 0.00 ATOM 592 N LYS A 74 14.990 32.060 -16.863 1.00 0.00 ATOM 593 CA LYS A 74 16.414 31.990 -17.137 1.00 0.00 ATOM 594 CB LYS A 74 16.873 33.350 -17.668 1.00 0.00 ATOM 595 CG LYS A 74 16.214 33.761 -18.974 1.00 0.00 ATOM 596 CD LYS A 74 16.715 35.118 -19.443 1.00 0.00 ATOM 597 CE LYS A 74 16.072 35.519 -20.760 1.00 0.00 ATOM 598 NZ LYS A 74 16.544 36.853 -21.225 1.00 0.00 ATOM 599 O LYS A 74 16.747 31.740 -14.805 1.00 0.00 ATOM 600 C LYS A 74 17.217 31.598 -15.928 1.00 0.00 ATOM 601 N VAL A 75 18.427 31.086 -16.124 1.00 0.00 ATOM 602 CA VAL A 75 19.296 30.797 -14.978 1.00 0.00 ATOM 603 CB VAL A 75 20.684 30.309 -15.437 1.00 0.00 ATOM 604 CG1 VAL A 75 21.641 30.239 -14.257 1.00 0.00 ATOM 605 CG2 VAL A 75 20.584 28.924 -16.057 1.00 0.00 ATOM 606 O VAL A 75 19.380 31.953 -12.909 1.00 0.00 ATOM 607 C VAL A 75 19.512 32.027 -14.124 1.00 0.00 ATOM 608 N THR A 76 19.739 33.187 -14.743 1.00 0.00 ATOM 609 CA THR A 76 20.031 34.385 -13.928 1.00 0.00 ATOM 610 CB THR A 76 20.477 35.569 -14.807 1.00 0.00 ATOM 611 CG2 THR A 76 20.741 36.798 -13.951 1.00 0.00 ATOM 612 OG1 THR A 76 21.678 35.222 -15.505 1.00 0.00 ATOM 613 O THR A 76 18.955 35.290 -12.008 1.00 0.00 ATOM 614 C THR A 76 18.823 34.837 -13.138 1.00 0.00 ATOM 615 N ASP A 77 17.651 34.723 -13.742 1.00 0.00 ATOM 616 CA ASP A 77 16.399 35.038 -13.038 1.00 0.00 ATOM 617 CB ASP A 77 15.192 34.739 -13.930 1.00 0.00 ATOM 618 CG ASP A 77 15.039 35.741 -15.058 1.00 0.00 ATOM 619 OD1 ASP A 77 15.711 36.792 -15.014 1.00 0.00 ATOM 620 OD2 ASP A 77 14.246 35.474 -15.985 1.00 0.00 ATOM 621 O ASP A 77 15.942 34.702 -10.727 1.00 0.00 ATOM 622 C ASP A 77 16.293 34.194 -11.775 1.00 0.00 ATOM 623 N LEU A 78 16.559 32.897 -11.921 1.00 0.00 ATOM 624 CA LEU A 78 16.380 31.966 -10.810 1.00 0.00 ATOM 625 CB LEU A 78 16.326 30.524 -11.372 1.00 0.00 ATOM 626 CG LEU A 78 15.096 30.262 -12.252 1.00 0.00 ATOM 627 CD1 LEU A 78 15.097 28.807 -12.725 1.00 0.00 ATOM 628 CD2 LEU A 78 13.820 30.577 -11.460 1.00 0.00 ATOM 629 O LEU A 78 17.223 31.856 -8.573 1.00 0.00 ATOM 630 C LEU A 78 17.462 32.133 -9.749 1.00 0.00 ATOM 631 N THR A 79 18.603 32.524 -10.174 1.00 0.00 ATOM 632 CA THR A 79 19.684 32.742 -9.202 1.00 0.00 ATOM 633 CB THR A 79 21.046 33.006 -9.869 1.00 0.00 ATOM 634 CG2 THR A 79 21.469 31.809 -10.709 1.00 0.00 ATOM 635 OG1 THR A 79 20.950 34.157 -10.718 1.00 0.00 ATOM 636 O THR A 79 19.918 34.120 -7.260 1.00 0.00 ATOM 637 C THR A 79 19.369 33.989 -8.362 1.00 0.00 ATOM 638 N GLY A 80 18.617 34.911 -8.881 1.00 0.00 ATOM 639 CA GLY A 80 18.177 36.057 -8.134 1.00 0.00 ATOM 640 O GLY A 80 16.889 36.034 -6.137 1.00 0.00 ATOM 641 C GLY A 80 16.939 35.728 -7.318 1.00 0.00 ATOM 642 N GLU A 81 15.910 35.177 -7.946 1.00 0.00 ATOM 643 CA GLU A 81 14.653 34.925 -7.220 1.00 0.00 ATOM 644 CB GLU A 81 13.599 34.334 -8.159 1.00 0.00 ATOM 645 CG GLU A 81 13.049 35.323 -9.175 1.00 0.00 ATOM 646 CD GLU A 81 12.102 34.674 -10.165 1.00 0.00 ATOM 647 OE1 GLU A 81 11.933 33.439 -10.103 1.00 0.00 ATOM 648 OE2 GLU A 81 11.528 35.403 -11.002 1.00 0.00 ATOM 649 O GLU A 81 14.252 34.074 -5.000 1.00 0.00 ATOM 650 C GLU A 81 14.827 33.936 -6.082 1.00 0.00 ATOM 651 N ASP A 82 15.575 32.862 -6.348 1.00 0.00 ATOM 652 CA ASP A 82 15.814 31.897 -5.268 1.00 0.00 ATOM 653 CB ASP A 82 16.728 30.769 -5.750 1.00 0.00 ATOM 654 CG ASP A 82 16.027 29.814 -6.696 1.00 0.00 ATOM 655 OD1 ASP A 82 14.783 29.880 -6.793 1.00 0.00 ATOM 656 OD2 ASP A 82 16.720 28.999 -7.341 1.00 0.00 ATOM 657 O ASP A 82 16.064 32.386 -2.930 1.00 0.00 ATOM 658 C ASP A 82 16.475 32.540 -4.082 1.00 0.00 ATOM 659 N VAL A 83 17.562 33.314 -4.308 1.00 0.00 ATOM 660 CA VAL A 83 18.235 33.954 -3.197 1.00 0.00 ATOM 661 CB VAL A 83 19.581 34.529 -3.724 1.00 0.00 ATOM 662 CG1 VAL A 83 20.232 35.519 -2.805 1.00 0.00 ATOM 663 CG2 VAL A 83 20.545 33.339 -3.987 1.00 0.00 ATOM 664 O VAL A 83 17.344 35.208 -1.328 1.00 0.00 ATOM 665 C VAL A 83 17.337 34.996 -2.545 1.00 0.00 ATOM 666 N ALA A 84 16.557 35.719 -3.363 1.00 0.00 ATOM 667 CA ALA A 84 15.643 36.727 -2.827 1.00 0.00 ATOM 668 CB ALA A 84 14.925 37.448 -3.958 1.00 0.00 ATOM 669 O ALA A 84 14.306 36.672 -0.848 1.00 0.00 ATOM 670 C ALA A 84 14.569 36.103 -1.917 1.00 0.00 ATOM 671 N ALA A 85 14.048 34.955 -2.322 1.00 0.00 ATOM 672 CA ALA A 85 13.106 34.226 -1.483 1.00 0.00 ATOM 673 CB ALA A 85 12.556 33.020 -2.227 1.00 0.00 ATOM 674 O ALA A 85 13.319 33.996 0.898 1.00 0.00 ATOM 675 C ALA A 85 13.807 33.759 -0.209 1.00 0.00 ATOM 676 N PHE A 86 14.970 33.144 -0.338 1.00 0.00 ATOM 677 CA PHE A 86 15.722 32.678 0.828 1.00 0.00 ATOM 678 CB PHE A 86 16.852 31.718 0.378 1.00 0.00 ATOM 679 CG PHE A 86 17.843 31.431 1.468 1.00 0.00 ATOM 680 CD1 PHE A 86 17.504 30.575 2.499 1.00 0.00 ATOM 681 CD2 PHE A 86 19.071 32.059 1.488 1.00 0.00 ATOM 682 CE1 PHE A 86 18.383 30.335 3.523 1.00 0.00 ATOM 683 CE2 PHE A 86 19.965 31.804 2.519 1.00 0.00 ATOM 684 CZ PHE A 86 19.606 30.948 3.532 1.00 0.00 ATOM 685 O PHE A 86 16.245 33.732 2.921 1.00 0.00 ATOM 686 C PHE A 86 16.259 33.824 1.698 1.00 0.00 ATOM 687 N CYS A 87 16.728 34.870 1.056 1.00 0.00 ATOM 688 CA CYS A 87 17.241 36.042 1.788 1.00 0.00 ATOM 689 CB CYS A 87 17.760 37.119 0.833 1.00 0.00 ATOM 690 SG CYS A 87 18.515 38.542 1.654 1.00 0.00 ATOM 691 O CYS A 87 16.377 37.033 3.810 1.00 0.00 ATOM 692 C CYS A 87 16.138 36.644 2.654 1.00 0.00 ATOM 693 N ASP A 88 14.919 36.649 2.105 1.00 0.00 ATOM 694 CA ASP A 88 13.782 37.191 2.824 1.00 0.00 ATOM 695 CB ASP A 88 12.544 37.370 1.950 1.00 0.00 ATOM 696 CG ASP A 88 12.648 38.529 0.987 1.00 0.00 ATOM 697 OD1 ASP A 88 13.566 39.370 1.083 1.00 0.00 ATOM 698 OD2 ASP A 88 11.810 38.681 0.069 1.00 0.00 ATOM 699 O ASP A 88 13.179 36.796 5.113 1.00 0.00 ATOM 700 C ASP A 88 13.430 36.299 4.015 1.00 0.00 ATOM 701 N GLU A 89 13.367 34.993 3.795 1.00 0.00 ATOM 702 CA GLU A 89 13.073 34.062 4.878 1.00 0.00 ATOM 703 CB GLU A 89 13.178 32.617 4.387 1.00 0.00 ATOM 704 CG GLU A 89 12.062 32.203 3.440 1.00 0.00 ATOM 705 CD GLU A 89 12.264 30.810 2.879 1.00 0.00 ATOM 706 OE1 GLU A 89 13.312 30.197 3.171 1.00 0.00 ATOM 707 OE2 GLU A 89 11.373 30.329 2.146 1.00 0.00 ATOM 708 O GLU A 89 13.757 34.191 7.197 1.00 0.00 ATOM 709 C GLU A 89 14.097 34.266 6.013 1.00 0.00 ATOM 710 N LEU A 90 15.344 34.525 5.627 1.00 0.00 ATOM 711 CA LEU A 90 16.420 34.742 6.595 1.00 0.00 ATOM 712 CB LEU A 90 17.754 34.819 5.811 1.00 0.00 ATOM 713 CG LEU A 90 19.039 34.480 6.558 1.00 0.00 ATOM 714 CD1 LEU A 90 18.940 33.063 7.104 1.00 0.00 ATOM 715 CD2 LEU A 90 20.232 34.600 5.611 1.00 0.00 ATOM 716 O LEU A 90 16.365 35.948 8.676 1.00 0.00 ATOM 717 C LEU A 90 16.179 35.985 7.461 1.00 0.00 ATOM 718 N MET A 91 15.783 37.081 6.817 1.00 0.00 ATOM 719 CA MET A 91 15.459 38.337 7.505 1.00 0.00 ATOM 720 CB MET A 91 15.104 39.427 6.490 1.00 0.00 ATOM 721 CG MET A 91 16.281 39.907 5.658 1.00 0.00 ATOM 722 SD MET A 91 15.804 41.116 4.407 1.00 0.00 ATOM 723 CE MET A 91 15.375 42.517 5.437 1.00 0.00 ATOM 724 O MET A 91 14.313 38.737 9.575 1.00 0.00 ATOM 725 C MET A 91 14.277 38.216 8.461 1.00 0.00 ATOM 726 N LYS A 92 13.228 37.534 8.017 1.00 0.00 ATOM 727 CA LYS A 92 12.071 37.257 8.851 1.00 0.00 ATOM 728 CB LYS A 92 10.998 36.516 8.052 1.00 0.00 ATOM 729 CG LYS A 92 9.730 36.221 8.839 1.00 0.00 ATOM 730 CD LYS A 92 8.682 35.549 7.967 1.00 0.00 ATOM 731 CE LYS A 92 7.435 35.211 8.765 1.00 0.00 ATOM 732 NZ LYS A 92 6.409 34.529 7.929 1.00 0.00 ATOM 733 O LYS A 92 12.145 36.730 11.205 1.00 0.00 ATOM 734 C LYS A 92 12.455 36.387 10.058 1.00 0.00 ATOM 735 N ASP A 93 13.160 35.281 9.801 1.00 0.00 ATOM 736 CA ASP A 93 13.546 34.349 10.870 1.00 0.00 ATOM 737 CB ASP A 93 14.053 33.015 10.218 1.00 0.00 ATOM 738 CG ASP A 93 13.087 32.206 9.333 1.00 0.00 ATOM 739 OD1 ASP A 93 11.899 32.467 9.429 1.00 0.00 ATOM 740 OD2 ASP A 93 13.643 31.344 8.587 1.00 0.00 ATOM 741 O ASP A 93 14.498 34.722 13.040 1.00 0.00 ATOM 742 C ASP A 93 14.524 35.008 11.847 1.00 0.00 ATOM 743 N THR A 94 15.384 35.907 11.346 1.00 0.00 ATOM 744 CA THR A 94 16.346 36.583 12.197 1.00 0.00 ATOM 745 CB THR A 94 17.621 36.899 11.393 1.00 0.00 ATOM 746 CG2 THR A 94 18.616 37.724 12.237 1.00 0.00 ATOM 747 OG1 THR A 94 18.226 35.655 11.008 1.00 0.00 ATOM 748 O THR A 94 15.003 38.580 11.965 1.00 0.00 ATOM 749 C THR A 94 15.675 37.864 12.719 1.00 0.00 ATOM 750 N LYS A 95 15.873 38.144 14.034 1.00 0.00 ATOM 751 CA LYS A 95 15.299 39.340 14.649 1.00 0.00 ATOM 752 CB LYS A 95 15.691 39.558 16.111 1.00 0.00 ATOM 753 CG LYS A 95 15.148 38.505 17.062 1.00 0.00 ATOM 754 CD LYS A 95 15.555 38.796 18.499 1.00 0.00 ATOM 755 CE LYS A 95 15.031 37.730 19.448 1.00 0.00 ATOM 756 NZ LYS A 95 15.407 38.012 20.861 1.00 0.00 ATOM 757 O LYS A 95 16.890 40.563 13.288 1.00 0.00 ATOM 758 C LYS A 95 15.769 40.551 13.810 1.00 0.00 ATOM 759 N THR A 96 14.919 41.555 13.637 1.00 0.00 ATOM 760 CA THR A 96 15.320 42.744 12.870 1.00 0.00 ATOM 761 CB THR A 96 14.206 43.809 12.856 1.00 0.00 ATOM 762 CG2 THR A 96 14.658 45.042 12.091 1.00 0.00 ATOM 763 OG1 THR A 96 13.037 43.271 12.223 1.00 0.00 ATOM 764 O THR A 96 17.334 44.037 12.670 1.00 0.00 ATOM 765 C THR A 96 16.562 43.435 13.426 1.00 0.00 ATOM 766 N TRP A 97 16.743 43.350 14.746 1.00 0.00 ATOM 767 CA TRP A 97 17.896 43.955 15.397 1.00 0.00 ATOM 768 CB TRP A 97 17.649 43.869 16.958 1.00 0.00 ATOM 769 CG TRP A 97 18.874 44.220 17.733 1.00 0.00 ATOM 770 CD1 TRP A 97 19.288 45.512 18.042 1.00 0.00 ATOM 771 CD2 TRP A 97 19.855 43.342 18.303 1.00 0.00 ATOM 772 CE2 TRP A 97 20.829 44.108 18.922 1.00 0.00 ATOM 773 CE3 TRP A 97 20.013 41.950 18.276 1.00 0.00 ATOM 774 NE1 TRP A 97 20.483 45.430 18.745 1.00 0.00 ATOM 775 CZ2 TRP A 97 21.909 43.528 19.621 1.00 0.00 ATOM 776 CZ3 TRP A 97 21.058 41.411 18.946 1.00 0.00 ATOM 777 CH2 TRP A 97 22.038 42.164 19.591 1.00 0.00 ATOM 778 O TRP A 97 20.235 44.138 14.925 1.00 0.00 ATOM 779 C TRP A 97 19.208 43.456 14.816 1.00 0.00 ATOM 780 N MET A 98 19.201 42.276 14.199 1.00 0.00 ATOM 781 CA MET A 98 20.460 41.832 13.617 1.00 0.00 ATOM 782 CB MET A 98 21.212 40.986 14.756 1.00 0.00 ATOM 783 CG MET A 98 22.546 40.404 14.294 1.00 0.00 ATOM 784 SD MET A 98 23.600 39.937 15.677 1.00 0.00 ATOM 785 CE MET A 98 25.036 39.369 14.759 1.00 0.00 ATOM 786 O MET A 98 21.343 41.074 11.531 1.00 0.00 ATOM 787 C MET A 98 20.459 41.693 12.105 1.00 0.00 ATOM 788 N ASP A 99 19.486 42.287 11.448 1.00 0.00 ATOM 789 CA ASP A 99 19.446 42.206 9.997 1.00 0.00 ATOM 790 CB ASP A 99 18.191 42.895 9.457 1.00 0.00 ATOM 791 CG ASP A 99 16.930 42.094 9.713 1.00 0.00 ATOM 792 OD1 ASP A 99 17.046 40.910 10.091 1.00 0.00 ATOM 793 OD2 ASP A 99 15.827 42.651 9.535 1.00 0.00 ATOM 794 O ASP A 99 21.214 42.306 8.415 1.00 0.00 ATOM 795 C ASP A 99 20.645 42.870 9.342 1.00 0.00 ATOM 796 N LYS A 100 21.011 44.057 9.789 1.00 0.00 ATOM 797 CA LYS A 100 22.144 44.790 9.225 1.00 0.00 ATOM 798 CB LYS A 100 22.330 46.126 9.946 1.00 0.00 ATOM 799 CG LYS A 100 23.461 46.978 9.393 1.00 0.00 ATOM 800 CD LYS A 100 23.544 48.317 10.106 1.00 0.00 ATOM 801 CE LYS A 100 24.705 49.149 9.587 1.00 0.00 ATOM 802 NZ LYS A 100 24.814 50.455 10.293 1.00 0.00 ATOM 803 O LYS A 100 24.253 43.944 8.416 1.00 0.00 ATOM 804 C LYS A 100 23.434 44.003 9.356 1.00 0.00 ATOM 805 N TYR A 101 23.673 43.526 10.566 1.00 0.00 ATOM 806 CA TYR A 101 24.850 42.744 10.870 1.00 0.00 ATOM 807 CB TYR A 101 24.975 42.284 12.282 1.00 0.00 ATOM 808 CG TYR A 101 25.147 43.452 13.216 1.00 0.00 ATOM 809 CD1 TYR A 101 26.239 44.301 13.117 1.00 0.00 ATOM 810 CD2 TYR A 101 24.163 43.762 14.159 1.00 0.00 ATOM 811 CE1 TYR A 101 26.388 45.408 13.960 1.00 0.00 ATOM 812 CE2 TYR A 101 24.292 44.861 14.998 1.00 0.00 ATOM 813 CZ TYR A 101 25.395 45.690 14.896 1.00 0.00 ATOM 814 OH TYR A 101 25.532 46.764 15.741 1.00 0.00 ATOM 815 O TYR A 101 25.966 41.124 9.501 1.00 0.00 ATOM 816 C TYR A 101 24.909 41.488 10.007 1.00 0.00 ATOM 817 N ARG A 102 23.772 40.830 9.804 1.00 0.00 ATOM 818 CA ARG A 102 23.687 39.721 8.855 1.00 0.00 ATOM 819 CB ARG A 102 22.003 39.652 8.591 1.00 0.00 ATOM 820 CG ARG A 102 21.180 38.411 8.625 1.00 0.00 ATOM 821 CD ARG A 102 19.708 38.625 8.253 1.00 0.00 ATOM 822 NE ARG A 102 19.476 39.858 7.503 1.00 0.00 ATOM 823 CZ ARG A 102 19.572 39.977 6.187 1.00 0.00 ATOM 824 NH1 ARG A 102 19.910 38.934 5.437 1.00 0.00 ATOM 825 NH2 ARG A 102 19.338 41.148 5.612 1.00 0.00 ATOM 826 O ARG A 102 24.864 39.305 6.810 1.00 0.00 ATOM 827 C ARG A 102 24.167 40.078 7.458 1.00 0.00 ATOM 828 N THR A 103 23.705 41.231 6.942 1.00 0.00 ATOM 829 CA THR A 103 24.103 41.665 5.597 1.00 0.00 ATOM 830 CB THR A 103 23.465 43.019 5.230 1.00 0.00 ATOM 831 CG2 THR A 103 23.899 43.453 3.840 1.00 0.00 ATOM 832 OG1 THR A 103 22.038 42.899 5.256 1.00 0.00 ATOM 833 O THR A 103 26.246 41.395 4.560 1.00 0.00 ATOM 834 C THR A 103 25.622 41.799 5.539 1.00 0.00 ATOM 835 N LYS A 104 26.214 42.364 6.589 1.00 0.00 ATOM 836 CA LYS A 104 27.672 42.529 6.669 1.00 0.00 ATOM 837 CB LYS A 104 28.054 43.292 7.941 1.00 0.00 ATOM 838 CG LYS A 104 27.667 44.760 7.922 1.00 0.00 ATOM 839 CD LYS A 104 28.078 45.455 9.212 1.00 0.00 ATOM 840 CE LYS A 104 27.669 46.919 9.205 1.00 0.00 ATOM 841 NZ LYS A 104 28.035 47.605 10.474 1.00 0.00 ATOM 842 O LYS A 104 29.416 41.001 6.026 1.00 0.00 ATOM 843 C LYS A 104 28.394 41.180 6.697 1.00 0.00 ATOM 844 N LEU A 105 27.839 40.210 7.442 1.00 0.00 ATOM 845 CA LEU A 105 28.442 38.887 7.543 1.00 0.00 ATOM 846 CB LEU A 105 27.725 38.077 8.578 1.00 0.00 ATOM 847 CG LEU A 105 28.229 36.672 8.817 1.00 0.00 ATOM 848 CD1 LEU A 105 29.703 36.736 9.161 1.00 0.00 ATOM 849 CD2 LEU A 105 27.445 36.013 9.951 1.00 0.00 ATOM 850 O LEU A 105 29.388 37.631 5.738 1.00 0.00 ATOM 851 C LEU A 105 28.404 38.226 6.172 1.00 0.00 ATOM 852 N ASN A 106 27.273 38.364 5.481 1.00 0.00 ATOM 853 CA ASN A 106 27.132 37.775 4.155 1.00 0.00 ATOM 854 CB ASN A 106 25.715 37.997 3.621 1.00 0.00 ATOM 855 CG ASN A 106 24.685 37.134 4.323 1.00 0.00 ATOM 856 ND2 ASN A 106 23.421 37.530 4.232 1.00 0.00 ATOM 857 OD1 ASN A 106 25.024 36.123 4.939 1.00 0.00 ATOM 858 O ASN A 106 28.732 37.674 2.377 1.00 0.00 ATOM 859 C ASN A 106 28.123 38.388 3.172 1.00 0.00 ATOM 860 N ASP A 107 28.280 39.709 3.223 1.00 0.00 ATOM 861 CA ASP A 107 29.211 40.394 2.327 1.00 0.00 ATOM 862 CB ASP A 107 29.167 41.905 2.564 1.00 0.00 ATOM 863 CG ASP A 107 27.891 42.539 2.048 1.00 0.00 ATOM 864 OD1 ASP A 107 27.150 41.864 1.302 1.00 0.00 ATOM 865 OD2 ASP A 107 27.629 43.711 2.390 1.00 0.00 ATOM 866 O ASP A 107 31.307 39.467 1.627 1.00 0.00 ATOM 867 C ASP A 107 30.627 39.880 2.563 1.00 0.00 ATOM 868 N SER A 108 31.038 39.828 3.823 1.00 0.00 ATOM 869 CA SER A 108 32.378 39.350 4.190 1.00 0.00 ATOM 870 CB SER A 108 32.615 39.526 5.691 1.00 0.00 ATOM 871 OG SER A 108 32.635 40.896 6.047 1.00 0.00 ATOM 872 O SER A 108 33.534 37.498 3.192 1.00 0.00 ATOM 873 C SER A 108 32.558 37.872 3.844 1.00 0.00 ATOM 874 N ILE A 109 31.555 37.068 4.206 1.00 0.00 ATOM 875 CA ILE A 109 31.584 35.641 3.926 1.00 0.00 ATOM 876 CB ILE A 109 30.467 34.960 4.722 1.00 0.00 ATOM 877 CG1 ILE A 109 30.618 35.201 6.254 1.00 0.00 ATOM 878 CG2 ILE A 109 30.496 33.517 4.430 1.00 0.00 ATOM 879 CD1 ILE A 109 29.561 34.413 7.091 1.00 0.00 ATOM 880 O ILE A 109 32.175 34.569 1.874 1.00 0.00 ATOM 881 C ILE A 109 31.462 35.394 2.418 1.00 0.00 ATOM 882 N GLY A 110 30.561 36.116 1.749 1.00 0.00 ATOM 883 CA GLY A 110 30.383 35.949 0.312 1.00 0.00 ATOM 884 O GLY A 110 32.001 35.603 -1.422 1.00 0.00 ATOM 885 C GLY A 110 31.648 36.304 -0.469 1.00 0.00 ATOM 886 N ARG A 111 32.351 37.358 -0.040 1.00 0.00 ATOM 887 CA ARG A 111 33.588 37.765 -0.697 1.00 0.00 ATOM 888 CB ARG A 111 34.092 39.093 -0.123 1.00 0.00 ATOM 889 CG ARG A 111 33.088 40.254 -0.078 1.00 0.00 ATOM 890 CD ARG A 111 33.757 41.593 0.284 1.00 0.00 ATOM 891 NE ARG A 111 34.255 41.670 1.661 1.00 0.00 ATOM 892 CZ ARG A 111 33.575 42.187 2.686 1.00 0.00 ATOM 893 NH1 ARG A 111 32.357 42.680 2.500 1.00 0.00 ATOM 894 NH2 ARG A 111 34.116 42.219 3.899 1.00 0.00 ATOM 895 O ARG A 111 35.325 36.343 -1.505 1.00 0.00 ATOM 896 C ARG A 111 34.649 36.678 -0.538 1.00 0.00 ATOM 897 N ASP A 112 34.804 36.118 0.665 1.00 0.00 ATOM 898 CA ASP A 112 35.807 35.082 0.878 1.00 0.00 ATOM 899 CB ASP A 112 37.171 35.709 1.222 1.00 0.00 ATOM 900 CG ASP A 112 38.242 34.671 1.513 1.00 0.00 ATOM 901 OD1 ASP A 112 37.987 33.460 1.347 1.00 0.00 ATOM 902 OD2 ASP A 112 39.379 34.980 1.917 1.00 0.00 ATOM 903 O ASP A 112 35.476 34.376 3.150 1.00 0.00 ATOM 904 C ASP A 112 35.356 34.108 1.956 1.00 0.00 ENDMDL EXPDTA 2hh6A MODEL 2 REMARK 44 REMARK 44 model 2 is called 2hh6A ATOM 1 N MET A 1 25.446 4.894 22.323 1.00 0.00 ATOM 2 CA MET A 1 26.681 5.695 22.597 1.00 0.00 ATOM 3 CB MET A 1 27.946 4.917 22.216 1.00 0.00 ATOM 4 CG MET A 1 27.964 3.495 22.691 1.00 0.00 ATOM 5 SD MET A 1 29.767 2.878 23.031 1.00 0.00 ATOM 6 CE MET A 1 30.146 2.170 21.410 1.00 0.00 ATOM 7 O MET A 1 26.598 6.926 20.564 1.00 0.00 ATOM 8 C MET A 1 26.641 6.977 21.791 1.00 0.00 ATOM 9 N SER A 2 26.673 8.125 22.465 1.00 0.00 ATOM 10 CA SER A 2 26.609 9.409 21.762 1.00 0.00 ATOM 11 CB SER A 2 26.515 10.598 22.733 1.00 0.00 ATOM 12 OG SER A 2 27.781 10.927 23.288 1.00 0.00 ATOM 13 O SER A 2 27.657 10.220 19.781 1.00 0.00 ATOM 14 C SER A 2 27.799 9.596 20.823 1.00 0.00 ATOM 15 N PHE A 3 28.965 9.073 21.203 1.00 0.00 ATOM 16 CA PHE A 3 30.158 9.146 20.350 1.00 0.00 ATOM 17 CB PHE A 3 31.331 8.412 21.014 1.00 0.00 ATOM 18 CG PHE A 3 32.561 8.328 20.153 1.00 0.00 ATOM 19 CD1 PHE A 3 33.176 9.475 19.693 1.00 0.00 ATOM 20 CD2 PHE A 3 33.093 7.105 19.795 1.00 0.00 ATOM 21 CE1 PHE A 3 34.300 9.401 18.893 1.00 0.00 ATOM 22 CE2 PHE A 3 34.216 7.027 19.016 1.00 0.00 ATOM 23 CZ PHE A 3 34.819 8.177 18.561 1.00 0.00 ATOM 24 O PHE A 3 30.150 9.177 17.940 1.00 0.00 ATOM 25 C PHE A 3 29.875 8.557 18.960 1.00 0.00 ATOM 26 N ILE A 4 29.296 7.364 18.953 1.00 0.00 ATOM 27 CA ILE A 4 28.908 6.669 17.733 1.00 0.00 ATOM 28 CB ILE A 4 28.624 5.173 18.042 1.00 0.00 ATOM 29 CG1 ILE A 4 29.915 4.465 18.474 1.00 0.00 ATOM 30 CG2 ILE A 4 27.954 4.482 16.870 1.00 0.00 ATOM 31 CD1 ILE A 4 30.979 4.385 17.419 1.00 0.00 ATOM 32 O ILE A 4 27.683 7.507 15.875 1.00 0.00 ATOM 33 C ILE A 4 27.699 7.316 17.078 1.00 0.00 ATOM 34 N GLU A 5 26.688 7.665 17.861 1.00 0.00 ATOM 35 CA GLU A 5 25.485 8.286 17.305 1.00 0.00 ATOM 36 CB GLU A 5 24.446 8.528 18.405 1.00 0.00 ATOM 37 CG GLU A 5 23.816 7.250 18.962 1.00 0.00 ATOM 38 CD GLU A 5 22.970 7.491 20.216 1.00 0.00 ATOM 39 OE1 GLU A 5 22.896 8.648 20.699 1.00 0.00 ATOM 40 OE2 GLU A 5 22.380 6.511 20.726 1.00 0.00 ATOM 41 O GLU A 5 25.246 9.883 15.531 1.00 0.00 ATOM 42 C GLU A 5 25.811 9.595 16.584 1.00 0.00 ATOM 43 N LYS A 6 26.726 10.378 17.153 1.00 0.00 ATOM 44 CA LYS A 6 27.182 11.628 16.525 1.00 0.00 ATOM 45 CB LYS A 6 28.105 12.413 17.477 1.00 0.00 ATOM 46 CG LYS A 6 27.375 13.140 18.608 1.00 0.00 ATOM 47 CD LYS A 6 28.317 13.534 19.752 1.00 0.00 ATOM 48 O LYS A 6 27.729 12.086 14.241 1.00 0.00 ATOM 49 C LYS A 6 27.910 11.366 15.222 1.00 0.00 ATOM 50 N MET A 7 28.729 10.324 15.196 1.00 0.00 ATOM 51 CA MET A 7 29.453 9.968 13.976 1.00 0.00 ATOM 52 CB MET A 7 30.449 8.869 14.271 1.00 0.00 ATOM 53 CG MET A 7 31.588 9.356 15.094 1.00 0.00 ATOM 54 SD MET A 7 32.809 7.928 15.424 1.00 0.00 ATOM 55 CE MET A 7 33.529 7.888 13.666 1.00 0.00 ATOM 56 O MET A 7 28.735 9.920 11.691 1.00 0.00 ATOM 57 C MET A 7 28.523 9.541 12.850 1.00 0.00 ATOM 58 N ILE A 8 27.494 8.772 13.204 1.00 0.00 ATOM 59 CA ILE A 8 26.470 8.321 12.258 1.00 0.00 ATOM 60 CB ILE A 8 25.566 7.222 12.877 1.00 0.00 ATOM 61 CG1 ILE A 8 26.366 5.949 13.113 1.00 0.00 ATOM 62 CG2 ILE A 8 24.382 6.927 11.962 1.00 0.00 ATOM 63 CD1 ILE A 8 25.673 4.923 13.957 1.00 0.00 ATOM 64 O ILE A 8 25.251 9.564 10.611 1.00 0.00 ATOM 65 C ILE A 8 25.608 9.487 11.776 1.00 0.00 ATOM 66 N GLY A 9 25.260 10.388 12.678 1.00 0.00 ATOM 67 CA GLY A 9 24.529 11.590 12.304 1.00 0.00 ATOM 68 O GLY A 9 24.755 12.896 10.326 1.00 0.00 ATOM 69 C GLY A 9 25.313 12.394 11.290 1.00 0.00 ATOM 70 N SER A 10 26.619 12.505 11.496 1.00 0.00 ATOM 71 CA SER A 10 27.488 13.177 10.541 1.00 0.00 ATOM 72 CB SER A 10 28.881 13.339 11.143 1.00 0.00 ATOM 73 OG SER A 10 29.785 13.867 10.193 1.00 0.00 ATOM 74 O SER A 10 27.494 13.104 8.116 1.00 0.00 ATOM 75 C SER A 10 27.554 12.463 9.171 1.00 0.00 ATOM 76 N LEU A 11 27.682 11.143 9.174 1.00 0.00 ATOM 77 CA LEU A 11 27.597 10.380 7.931 1.00 0.00 ATOM 78 CB LEU A 11 27.696 8.885 8.217 1.00 0.00 ATOM 79 CG LEU A 11 29.083 8.389 8.610 1.00 0.00 ATOM 80 CD1 LEU A 11 29.009 6.963 9.171 1.00 0.00 ATOM 81 CD2 LEU A 11 30.034 8.454 7.439 1.00 0.00 ATOM 82 O LEU A 11 26.328 10.982 5.988 1.00 0.00 ATOM 83 C LEU A 11 26.304 10.691 7.184 1.00 0.00 ATOM 84 N ASN A 12 25.187 10.653 7.897 1.00 0.00 ATOM 85 CA ASN A 12 23.875 10.929 7.307 1.00 0.00 ATOM 86 CB ASN A 12 22.752 10.678 8.319 1.00 0.00 ATOM 87 CG ASN A 12 22.750 9.255 8.861 1.00 0.00 ATOM 88 ND2 ASN A 12 22.062 9.053 9.974 1.00 0.00 ATOM 89 OD1 ASN A 12 23.360 8.354 8.285 1.00 0.00 ATOM 90 O ASN A 12 23.196 12.579 5.734 1.00 0.00 ATOM 91 C ASN A 12 23.758 12.351 6.784 1.00 0.00 ATOM 92 N ASP A 13 24.275 13.305 7.542 1.00 0.00 ATOM 93 CA ASP A 13 24.210 14.695 7.132 1.00 0.00 ATOM 94 CB ASP A 13 24.731 15.617 8.242 1.00 0.00 ATOM 95 CG ASP A 13 23.825 15.660 9.439 1.00 0.00 ATOM 96 OD1 ASP A 13 22.702 15.118 9.395 1.00 0.00 ATOM 97 OD2 ASP A 13 24.249 16.229 10.443 1.00 0.00 ATOM 98 O ASP A 13 24.571 15.584 4.979 1.00 0.00 ATOM 99 C ASP A 13 25.016 14.910 5.875 1.00 0.00 ATOM 100 N LYS A 14 26.210 14.326 5.816 1.00 0.00 ATOM 101 CA LYS A 14 27.102 14.509 4.690 1.00 0.00 ATOM 102 CB LYS A 14 28.507 14.011 5.020 1.00 0.00 ATOM 103 CG LYS A 14 29.199 14.863 6.054 1.00 0.00 ATOM 104 CD LYS A 14 30.607 14.364 6.348 1.00 0.00 ATOM 105 CE LYS A 14 31.247 15.110 7.536 1.00 0.00 ATOM 106 O LYS A 14 26.791 14.303 2.337 1.00 0.00 ATOM 107 C LYS A 14 26.561 13.834 3.441 1.00 0.00 ATOM 108 N ARG A 15 25.816 12.751 3.628 1.00 0.00 ATOM 109 CA ARG A 15 25.173 12.054 2.533 1.00 0.00 ATOM 110 CB ARG A 15 24.647 10.709 3.036 1.00 0.00 ATOM 111 CG ARG A 15 24.309 9.727 1.957 1.00 0.00 ATOM 112 CD ARG A 15 23.299 8.691 2.422 1.00 0.00 ATOM 113 NE ARG A 15 22.084 9.346 2.909 1.00 0.00 ATOM 114 CZ ARG A 15 21.508 9.128 4.088 1.00 0.00 ATOM 115 NH1 ARG A 15 21.998 8.220 4.934 1.00 0.00 ATOM 116 NH2 ARG A 15 20.413 9.813 4.409 1.00 0.00 ATOM 117 O ARG A 15 23.894 13.023 0.724 1.00 0.00 ATOM 118 C ARG A 15 24.041 12.908 1.944 1.00 0.00 ATOM 119 N GLU A 16 23.256 13.529 2.812 1.00 0.00 ATOM 120 CA GLU A 16 22.197 14.440 2.372 1.00 0.00 ATOM 121 CB GLU A 16 21.329 14.875 3.560 1.00 0.00 ATOM 122 CG GLU A 16 20.553 13.713 4.181 1.00 0.00 ATOM 123 CD GLU A 16 19.852 14.073 5.482 1.00 0.00 ATOM 124 OE1 GLU A 16 20.303 15.011 6.177 1.00 0.00 ATOM 125 OE2 GLU A 16 18.846 13.408 5.816 1.00 0.00 ATOM 126 O GLU A 16 22.241 16.062 0.618 1.00 0.00 ATOM 127 C GLU A 16 22.774 15.653 1.643 1.00 0.00 ATOM 128 N TRP A 17 23.860 16.210 2.170 1.00 0.00 ATOM 129 CA TRP A 17 24.616 17.297 1.535 1.00 0.00 ATOM 130 CB TRP A 17 25.867 17.630 2.377 1.00 0.00 ATOM 131 CG TRP A 17 26.798 18.690 1.790 1.00 0.00 ATOM 132 CD1 TRP A 17 26.729 20.036 1.993 1.00 0.00 ATOM 133 CD2 TRP A 17 27.945 18.476 0.944 1.00 0.00 ATOM 134 CE2 TRP A 17 28.499 19.743 0.662 1.00 0.00 ATOM 135 CE3 TRP A 17 28.541 17.339 0.379 1.00 0.00 ATOM 136 NE1 TRP A 17 27.738 20.675 1.313 1.00 0.00 ATOM 137 CZ2 TRP A 17 29.626 19.908 -0.150 1.00 0.00 ATOM 138 CZ3 TRP A 17 29.661 17.504 -0.439 1.00 0.00 ATOM 139 CH2 TRP A 17 30.192 18.781 -0.689 1.00 0.00 ATOM 140 O TRP A 17 24.870 17.667 -0.812 1.00 0.00 ATOM 141 C TRP A 17 25.051 16.920 0.124 1.00 0.00 ATOM 142 N LYS A 18 25.682 15.750 -0.001 1.00 0.00 ATOM 143 CA LYS A 18 26.131 15.232 -1.296 1.00 0.00 ATOM 144 CB LYS A 18 26.743 13.835 -1.125 1.00 0.00 ATOM 145 CG LYS A 18 27.335 13.254 -2.408 1.00 0.00 ATOM 146 CD LYS A 18 27.981 11.897 -2.200 1.00 0.00 ATOM 147 CE LYS A 18 28.669 11.462 -3.443 1.00 0.00 ATOM 148 NZ LYS A 18 29.441 10.212 -3.356 1.00 0.00 ATOM 149 O LYS A 18 25.149 15.597 -3.489 1.00 0.00 ATOM 150 C LYS A 18 24.996 15.180 -2.325 1.00 0.00 ATOM 151 N ALA A 19 23.856 14.666 -1.897 1.00 0.00 ATOM 152 CA ALA A 19 22.692 14.563 -2.741 1.00 0.00 ATOM 153 CB ALA A 19 21.611 13.819 -2.016 1.00 0.00 ATOM 154 O ALA A 19 21.756 16.128 -4.274 1.00 0.00 ATOM 155 C ALA A 19 22.192 15.946 -3.155 1.00 0.00 ATOM 156 N MET A 20 22.238 16.903 -2.234 1.00 0.00 ATOM 157 CA MET A 20 21.813 18.262 -2.526 1.00 0.00 ATOM 158 CB MET A 20 21.676 19.089 -1.247 1.00 0.00 ATOM 159 CG MET A 20 20.395 18.832 -0.528 1.00 0.00 ATOM 160 SD MET A 20 20.369 19.666 1.235 1.00 0.00 ATOM 161 CE MET A 20 19.802 21.302 0.743 1.00 0.00 ATOM 162 O MET A 20 22.339 19.635 -4.375 1.00 0.00 ATOM 163 C MET A 20 22.769 18.925 -3.483 1.00 0.00 ATOM 164 N GLU A 21 24.065 18.677 -3.314 1.00 0.00 ATOM 165 CA GLU A 21 25.053 19.164 -4.249 1.00 0.00 ATOM 166 CB GLU A 21 26.482 18.833 -3.787 1.00 0.00 ATOM 167 CG GLU A 21 26.946 19.631 -2.558 1.00 0.00 ATOM 168 CD GLU A 21 27.076 21.124 -2.834 1.00 0.00 ATOM 169 OE1 GLU A 21 28.032 21.541 -3.509 1.00 0.00 ATOM 170 OE2 GLU A 21 26.206 21.877 -2.399 1.00 0.00 ATOM 171 O GLU A 21 25.004 19.363 -6.637 1.00 0.00 ATOM 172 C GLU A 21 24.797 18.637 -5.664 1.00 0.00 ATOM 173 N ALA A 22 24.339 17.389 -5.766 1.00 0.00 ATOM 174 CA ALA A 22 24.058 16.762 -7.041 1.00 0.00 ATOM 175 CB ALA A 22 23.875 15.273 -6.873 1.00 0.00 ATOM 176 O ALA A 22 22.795 17.599 -8.854 1.00 0.00 ATOM 177 C ALA A 22 22.822 17.378 -7.671 1.00 0.00 ATOM 178 N ARG A 23 21.794 17.649 -6.874 1.00 0.00 ATOM 179 CA ARG A 23 20.611 18.341 -7.381 1.00 0.00 ATOM 180 CB ARG A 23 19.616 18.581 -6.261 1.00 0.00 ATOM 181 CG ARG A 23 18.772 17.376 -5.984 1.00 0.00 ATOM 182 CD ARG A 23 17.821 17.640 -4.875 1.00 0.00 ATOM 183 NE ARG A 23 16.679 18.461 -5.247 1.00 0.00 ATOM 184 CZ ARG A 23 15.860 19.006 -4.355 1.00 0.00 ATOM 185 NH1 ARG A 23 16.060 18.823 -3.058 1.00 0.00 ATOM 186 NH2 ARG A 23 14.835 19.722 -4.740 1.00 0.00 ATOM 187 O ARG A 23 20.424 20.032 -9.066 1.00 0.00 ATOM 188 C ARG A 23 20.965 19.675 -8.026 1.00 0.00 ATOM 189 N ALA A 24 21.864 20.409 -7.390 1.00 0.00 ATOM 190 CA ALA A 24 22.292 21.708 -7.896 1.00 0.00 ATOM 191 CB ALA A 24 23.075 22.452 -6.828 1.00 0.00 ATOM 192 O ALA A 24 23.001 22.394 -10.046 1.00 0.00 ATOM 193 C ALA A 24 23.118 21.574 -9.146 1.00 0.00 ATOM 194 N LYS A 25 23.973 20.545 -9.200 1.00 0.00 ATOM 195 CA LYS A 25 24.823 20.298 -10.361 1.00 0.00 ATOM 196 CB LYS A 25 25.867 19.239 -10.005 1.00 0.00 ATOM 197 CG LYS A 25 26.866 18.887 -11.090 1.00 0.00 ATOM 198 CD LYS A 25 27.860 19.983 -11.320 1.00 0.00 ATOM 199 CE LYS A 25 29.001 19.515 -12.202 1.00 0.00 ATOM 200 NZ LYS A 25 29.451 20.603 -13.121 1.00 0.00 ATOM 201 O LYS A 25 24.379 20.180 -12.732 1.00 0.00 ATOM 202 C LYS A 25 23.996 19.889 -11.593 1.00 0.00 ATOM 203 N ALA A 26 22.861 19.226 -11.360 1.00 0.00 ATOM 204 CA ALA A 26 21.976 18.828 -12.432 1.00 0.00 ATOM 205 CB ALA A 26 20.949 17.852 -11.942 1.00 0.00 ATOM 206 O ALA A 26 20.854 19.912 -14.222 1.00 0.00 ATOM 207 C ALA A 26 21.290 20.020 -13.094 1.00 0.00 ATOM 208 N LEU A 27 21.219 21.151 -12.399 1.00 0.00 ATOM 209 CA LEU A 27 20.592 22.344 -12.929 1.00 0.00 ATOM 210 CB LEU A 27 20.403 23.354 -11.823 1.00 0.00 ATOM 211 CG LEU A 27 19.436 23.010 -10.684 1.00 0.00 ATOM 212 CD1 LEU A 27 19.525 24.039 -9.634 1.00 0.00 ATOM 213 CD2 LEU A 27 18.023 22.909 -11.212 1.00 0.00 ATOM 214 O LEU A 27 22.600 22.648 -14.223 1.00 0.00 ATOM 215 C LEU A 27 21.424 22.974 -14.059 1.00 0.00 ATOM 216 N PRO A 28 20.810 23.860 -14.856 1.00 0.00 ATOM 217 CA PRO A 28 21.641 24.561 -15.839 1.00 0.00 ATOM 218 CB PRO A 28 20.638 25.455 -16.579 1.00 0.00 ATOM 219 CG PRO A 28 19.299 24.858 -16.327 1.00 0.00 ATOM 220 CD PRO A 28 19.384 24.213 -14.981 1.00 0.00 ATOM 221 O PRO A 28 22.629 25.689 -13.969 1.00 0.00 ATOM 222 C PRO A 28 22.737 25.395 -15.147 1.00 0.00 ATOM 223 N LYS A 29 23.760 25.772 -15.901 1.00 0.00 ATOM 224 CA LYS A 29 24.935 26.500 -15.409 1.00 0.00 ATOM 225 CB LYS A 29 25.782 26.974 -16.596 1.00 0.00 ATOM 226 CG LYS A 29 27.164 27.513 -16.241 1.00 0.00 ATOM 227 CD LYS A 29 27.972 27.840 -17.515 1.00 0.00 ATOM 228 O LYS A 29 25.160 27.880 -13.469 1.00 0.00 ATOM 229 C LYS A 29 24.586 27.696 -14.550 1.00 0.00 ATOM 230 N GLU A 30 23.638 28.497 -15.017 1.00 0.00 ATOM 231 CA GLU A 30 23.308 29.758 -14.364 1.00 0.00 ATOM 232 CB GLU A 30 22.362 30.593 -15.241 1.00 0.00 ATOM 233 CG GLU A 30 23.005 31.185 -16.486 1.00 0.00 ATOM 234 CD GLU A 30 23.367 30.146 -17.553 1.00 0.00 ATOM 235 OE1 GLU A 30 22.734 29.050 -17.595 1.00 0.00 ATOM 236 OE2 GLU A 30 24.294 30.438 -18.350 1.00 0.00 ATOM 237 O GLU A 30 22.914 30.249 -12.061 1.00 0.00 ATOM 238 C GLU A 30 22.676 29.512 -12.998 1.00 0.00 ATOM 239 N TYR A 31 21.859 28.470 -12.920 1.00 0.00 ATOM 240 CA TYR A 31 21.196 28.052 -11.701 1.00 0.00 ATOM 241 CB TYR A 31 20.133 27.011 -12.021 1.00 0.00 ATOM 242 CG TYR A 31 18.822 27.576 -12.454 1.00 0.00 ATOM 243 CD1 TYR A 31 18.569 27.878 -13.804 1.00 0.00 ATOM 244 CD2 TYR A 31 17.827 27.815 -11.525 1.00 0.00 ATOM 245 CE1 TYR A 31 17.354 28.396 -14.196 1.00 0.00 ATOM 246 CE2 TYR A 31 16.622 28.334 -11.901 1.00 0.00 ATOM 247 CZ TYR A 31 16.385 28.615 -13.243 1.00 0.00 ATOM 248 OH TYR A 31 15.175 29.131 -13.577 1.00 0.00 ATOM 249 O TYR A 31 22.145 27.751 -9.543 1.00 0.00 ATOM 250 C TYR A 31 22.190 27.452 -10.710 1.00 0.00 ATOM 251 N HIS A 32 23.075 26.589 -11.198 1.00 0.00 ATOM 252 CA HIS A 32 24.137 26.028 -10.379 1.00 0.00 ATOM 253 CB HIS A 32 24.932 24.999 -11.182 1.00 0.00 ATOM 254 CG HIS A 32 26.000 24.301 -10.398 1.00 0.00 ATOM 255 CD2 HIS A 32 25.961 23.640 -9.220 1.00 0.00 ATOM 256 ND1 HIS A 32 27.306 24.237 -10.825 1.00 0.00 ATOM 257 CE1 HIS A 32 28.029 23.577 -9.941 1.00 0.00 ATOM 258 NE2 HIS A 32 27.236 23.192 -8.964 1.00 0.00 ATOM 259 O HIS A 32 25.440 27.095 -8.681 1.00 0.00 ATOM 260 C HIS A 32 25.051 27.126 -9.833 1.00 0.00 ATOM 261 N HIS A 33 25.382 28.090 -10.671 1.00 0.00 ATOM 262 CA HIS A 33 26.196 29.223 -10.263 1.00 0.00 ATOM 263 CB HIS A 33 26.564 30.068 -11.474 1.00 0.00 ATOM 264 CG HIS A 33 27.304 31.319 -11.133 1.00 0.00 ATOM 265 CD2 HIS A 33 28.617 31.543 -10.906 1.00 0.00 ATOM 266 ND1 HIS A 33 26.676 32.537 -10.997 1.00 0.00 ATOM 267 CE1 HIS A 33 27.573 33.458 -10.697 1.00 0.00 ATOM 268 NE2 HIS A 33 28.758 32.882 -10.642 1.00 0.00 ATOM 269 O HIS A 33 26.003 30.372 -8.177 1.00 0.00 ATOM 270 C HIS A 33 25.451 30.037 -9.214 1.00 0.00 ATOM 271 N ALA A 34 24.178 30.311 -9.445 1.00 0.00 ATOM 272 CA ALA A 34 23.390 31.057 -8.477 1.00 0.00 ATOM 273 CB ALA A 34 22.014 31.348 -9.017 1.00 0.00 ATOM 274 O ALA A 34 23.390 31.006 -6.067 1.00 0.00 ATOM 275 C ALA A 34 23.309 30.357 -7.109 1.00 0.00 ATOM 276 N TYR A 35 23.179 29.034 -7.119 1.00 0.00 ATOM 277 CA TYR A 35 23.086 28.247 -5.900 1.00 0.00 ATOM 278 CB TYR A 35 22.817 26.793 -6.270 1.00 0.00 ATOM 279 CG TYR A 35 22.586 25.873 -5.108 1.00 0.00 ATOM 280 CD1 TYR A 35 21.364 25.839 -4.456 1.00 0.00 ATOM 281 CD2 TYR A 35 23.579 25.022 -4.668 1.00 0.00 ATOM 282 CE1 TYR A 35 21.148 24.985 -3.417 1.00 0.00 ATOM 283 CE2 TYR A 35 23.363 24.158 -3.630 1.00 0.00 ATOM 284 CZ TYR A 35 22.144 24.137 -3.014 1.00 0.00 ATOM 285 OH TYR A 35 21.924 23.289 -1.961 1.00 0.00 ATOM 286 O TYR A 35 24.376 28.564 -3.890 1.00 0.00 ATOM 287 C TYR A 35 24.390 28.353 -5.091 1.00 0.00 ATOM 288 N LYS A 36 25.505 28.210 -5.788 1.00 0.00 ATOM 289 CA LYS A 36 26.819 28.358 -5.178 1.00 0.00 ATOM 290 CB LYS A 36 27.912 27.970 -6.182 1.00 0.00 ATOM 291 CG LYS A 36 28.288 26.495 -6.183 1.00 0.00 ATOM 292 CD LYS A 36 27.099 25.567 -5.985 1.00 0.00 ATOM 293 O LYS A 36 27.602 29.960 -3.590 1.00 0.00 ATOM 294 C LYS A 36 27.026 29.781 -4.643 1.00 0.00 ATOM 295 N ALA A 37 26.527 30.787 -5.361 1.00 0.00 ATOM 296 CA ALA A 37 26.624 32.174 -4.893 1.00 0.00 ATOM 297 CB ALA A 37 26.167 33.126 -5.950 1.00 0.00 ATOM 298 O ALA A 37 26.263 33.048 -2.682 1.00 0.00 ATOM 299 C ALA A 37 25.813 32.380 -3.606 1.00 0.00 ATOM 300 N ILE A 38 24.617 31.803 -3.562 1.00 0.00 ATOM 301 CA ILE A 38 23.773 31.866 -2.381 1.00 0.00 ATOM 302 CB ILE A 38 22.349 31.366 -2.672 1.00 0.00 ATOM 303 CG1 ILE A 38 21.657 32.312 -3.676 1.00 0.00 ATOM 304 CG2 ILE A 38 21.529 31.281 -1.407 1.00 0.00 ATOM 305 CD1 ILE A 38 20.247 31.920 -4.059 1.00 0.00 ATOM 306 O ILE A 38 24.269 31.517 -0.080 1.00 0.00 ATOM 307 C ILE A 38 24.401 31.098 -1.210 1.00 0.00 ATOM 308 N GLN A 39 25.056 29.969 -1.479 1.00 0.00 ATOM 309 CA GLN A 39 25.760 29.227 -0.443 1.00 0.00 ATOM 310 CB GLN A 39 26.442 27.991 -1.023 1.00 0.00 ATOM 311 CG GLN A 39 25.557 26.788 -1.137 1.00 0.00 ATOM 312 CD GLN A 39 26.287 25.593 -1.726 1.00 0.00 ATOM 313 OE1 GLN A 39 27.157 25.740 -2.574 1.00 0.00 ATOM 314 NE2 GLN A 39 25.918 24.413 -1.291 1.00 0.00 ATOM 315 O GLN A 39 26.859 30.227 1.401 1.00 0.00 ATOM 316 C GLN A 39 26.808 30.119 0.202 1.00 0.00 ATOM 317 N LYS A 40 27.635 30.778 -0.606 1.00 0.00 ATOM 318 CA LYS A 40 28.668 31.659 -0.062 1.00 0.00 ATOM 319 CB LYS A 40 29.496 32.308 -1.178 1.00 0.00 ATOM 320 CG LYS A 40 30.365 31.305 -1.970 1.00 0.00 ATOM 321 CD LYS A 40 31.053 31.970 -3.184 1.00 0.00 ATOM 322 CE LYS A 40 31.912 30.985 -4.007 1.00 0.00 ATOM 323 O LYS A 40 28.506 32.992 1.914 1.00 0.00 ATOM 324 C LYS A 40 28.028 32.725 0.824 1.00 0.00 ATOM 325 N TYR A 41 26.932 33.307 0.353 1.00 0.00 ATOM 326 CA TYR A 41 26.224 34.346 1.089 1.00 0.00 ATOM 327 CB TYR A 41 25.086 34.910 0.244 1.00 0.00 ATOM 328 CG TYR A 41 24.218 35.916 0.940 1.00 0.00 ATOM 329 CD1 TYR A 41 24.632 37.226 1.111 1.00 0.00 ATOM 330 CD2 TYR A 41 22.975 35.564 1.427 1.00 0.00 ATOM 331 CE1 TYR A 41 23.837 38.156 1.755 1.00 0.00 ATOM 332 CE2 TYR A 41 22.175 36.485 2.072 1.00 0.00 ATOM 333 CZ TYR A 41 22.612 37.782 2.234 1.00 0.00 ATOM 334 OH TYR A 41 21.803 38.699 2.871 1.00 0.00 ATOM 335 O TYR A 41 25.860 34.449 3.436 1.00 0.00 ATOM 336 C TYR A 41 25.701 33.812 2.421 1.00 0.00 ATOM 337 N MET A 42 25.100 32.633 2.400 1.00 0.00 ATOM 338 CA MET A 42 24.611 31.991 3.597 1.00 0.00 ATOM 339 CB MET A 42 23.716 30.793 3.264 1.00 0.00 ATOM 340 CG MET A 42 22.412 31.116 2.574 1.00 0.00 ATOM 341 SD MET A 42 21.251 32.373 3.492 1.00 0.00 ATOM 342 CE MET A 42 19.575 31.957 2.481 1.00 0.00 ATOM 343 O MET A 42 25.457 31.345 5.697 1.00 0.00 ATOM 344 C MET A 42 25.719 31.496 4.520 1.00 0.00 ATOM 345 N TRP A 43 26.927 31.222 4.027 1.00 0.00 ATOM 346 CA TRP A 43 28.001 30.740 4.918 1.00 0.00 ATOM 347 CB TRP A 43 29.083 29.926 4.202 1.00 0.00 ATOM 348 CG TRP A 43 28.620 28.689 3.444 1.00 0.00 ATOM 349 CD1 TRP A 43 29.284 28.086 2.401 1.00 0.00 ATOM 350 CD2 TRP A 43 27.409 27.924 3.640 1.00 0.00 ATOM 351 CE2 TRP A 43 27.421 26.873 2.686 1.00 0.00 ATOM 352 CE3 TRP A 43 26.325 28.015 4.532 1.00 0.00 ATOM 353 NE1 TRP A 43 28.569 26.997 1.944 1.00 0.00 ATOM 354 CZ2 TRP A 43 26.385 25.928 2.590 1.00 0.00 ATOM 355 CZ3 TRP A 43 25.299 27.070 4.442 1.00 0.00 ATOM 356 CH2 TRP A 43 25.339 26.042 3.473 1.00 0.00 ATOM 357 O TRP A 43 29.830 31.961 5.878 1.00 0.00 ATOM 358 C TRP A 43 28.631 31.924 5.622 1.00 0.00 ATOM 359 N THR A 44 27.806 32.905 5.927 1.00 0.00 ATOM 360 CA THR A 44 28.221 34.042 6.679 1.00 0.00 ATOM 361 CB THR A 44 28.116 35.332 5.855 1.00 0.00 ATOM 362 CG2 THR A 44 28.799 35.183 4.488 1.00 0.00 ATOM 363 OG1 THR A 44 26.733 35.679 5.682 1.00 0.00 ATOM 364 O THR A 44 26.553 33.129 8.166 1.00 0.00 ATOM 365 C THR A 44 27.277 34.091 7.867 1.00 0.00 ATOM 366 N SER A 45 27.257 35.230 8.529 1.00 0.00 ATOM 367 CA SER A 45 26.496 35.335 9.755 1.00 0.00 ATOM 368 CB SER A 45 27.057 36.446 10.636 1.00 0.00 ATOM 369 OG SER A 45 28.444 36.262 10.896 1.00 0.00 ATOM 370 O SER A 45 24.179 35.367 10.386 1.00 0.00 ATOM 371 C SER A 45 25.002 35.531 9.485 1.00 0.00 ATOM 372 N GLY A 46 24.653 35.851 8.251 1.00 0.00 ATOM 373 CA GLY A 46 23.252 35.923 7.862 1.00 0.00 ATOM 374 O GLY A 46 21.451 34.496 7.215 1.00 0.00 ATOM 375 C GLY A 46 22.631 34.564 7.570 1.00 0.00 ATOM 376 N GLY A 47 23.411 33.490 7.748 1.00 0.00 ATOM 377 CA GLY A 47 22.991 32.141 7.379 1.00 0.00 ATOM 378 O GLY A 47 22.581 31.672 9.676 1.00 0.00 ATOM 379 C GLY A 47 22.493 31.278 8.525 1.00 0.00 ATOM 380 N PRO A 48 21.941 30.092 8.202 1.00 0.00 ATOM 381 CA PRO A 48 21.403 29.171 9.200 1.00 0.00 ATOM 382 CB PRO A 48 20.645 28.125 8.368 1.00 0.00 ATOM 383 CG PRO A 48 21.167 28.241 7.007 1.00 0.00 ATOM 384 CD PRO A 48 21.752 29.594 6.823 1.00 0.00 ATOM 385 O PRO A 48 23.638 28.543 9.756 1.00 0.00 ATOM 386 C PRO A 48 22.465 28.537 10.089 1.00 0.00 ATOM 387 N THR A 49 22.047 28.020 11.239 1.00 0.00 ATOM 388 CA THR A 49 22.998 27.694 12.294 1.00 0.00 ATOM 389 CB THR A 49 22.663 28.456 13.591 1.00 0.00 ATOM 390 CG2 THR A 49 22.596 29.941 13.319 1.00 0.00 ATOM 391 OG1 THR A 49 21.400 28.017 14.096 1.00 0.00 ATOM 392 O THR A 49 23.917 25.801 13.381 1.00 0.00 ATOM 393 C THR A 49 23.080 26.214 12.599 1.00 0.00 ATOM 394 N ASP A 50 22.218 25.406 11.995 1.00 0.00 ATOM 395 CA ASP A 50 22.295 23.973 12.214 1.00 0.00 ATOM 396 CB ASP A 50 21.468 23.539 13.442 1.00 0.00 ATOM 397 CG ASP A 50 19.972 23.746 13.274 1.00 0.00 ATOM 398 OD1 ASP A 50 19.504 24.001 12.158 1.00 0.00 ATOM 399 OD2 ASP A 50 19.245 23.654 14.284 1.00 0.00 ATOM 400 O ASP A 50 21.507 23.861 9.973 1.00 0.00 ATOM 401 C ASP A 50 21.927 23.244 10.936 1.00 0.00 ATOM 402 N TRP A 51 22.140 21.941 10.920 1.00 0.00 ATOM 403 CA TRP A 51 21.918 21.161 9.736 1.00 0.00 ATOM 404 CB TRP A 51 22.484 19.760 9.891 1.00 0.00 ATOM 405 CG TRP A 51 22.165 18.931 8.692 1.00 0.00 ATOM 406 CD1 TRP A 51 21.367 17.827 8.654 1.00 0.00 ATOM 407 CD2 TRP A 51 22.570 19.180 7.349 1.00 0.00 ATOM 408 CE2 TRP A 51 22.002 18.172 6.555 1.00 0.00 ATOM 409 CE3 TRP A 51 23.366 20.154 6.737 1.00 0.00 ATOM 410 NE1 TRP A 51 21.268 17.364 7.381 1.00 0.00 ATOM 411 CZ2 TRP A 51 22.198 18.103 5.188 1.00 0.00 ATOM 412 CZ3 TRP A 51 23.563 20.085 5.370 1.00 0.00 ATOM 413 CH2 TRP A 51 22.977 19.068 4.612 1.00 0.00 ATOM 414 O TRP A 51 20.111 21.174 8.164 1.00 0.00 ATOM 415 C TRP A 51 20.440 21.101 9.344 1.00 0.00 ATOM 416 N GLN A 52 19.563 20.964 10.334 1.00 0.00 ATOM 417 CA GLN A 52 18.127 20.901 10.105 1.00 0.00 ATOM 418 CB GLN A 52 17.380 20.808 11.460 1.00 0.00 ATOM 419 CG GLN A 52 15.859 20.562 11.334 1.00 0.00 ATOM 420 CD GLN A 52 15.127 20.503 12.681 1.00 0.00 ATOM 421 OE1 GLN A 52 15.521 21.152 13.662 1.00 0.00 ATOM 422 NE2 GLN A 52 14.049 19.720 12.726 1.00 0.00 ATOM 423 O GLN A 52 16.883 21.974 8.363 1.00 0.00 ATOM 424 C GLN A 52 17.646 22.110 9.306 1.00 0.00 ATOM 425 N ASP A 53 18.099 23.300 9.679 1.00 0.00 ATOM 426 CA ASP A 53 17.649 24.519 9.033 1.00 0.00 ATOM 427 CB ASP A 53 17.943 25.741 9.903 1.00 0.00 ATOM 428 CG ASP A 53 17.053 25.834 11.142 1.00 0.00 ATOM 429 OD1 ASP A 53 15.984 25.204 11.203 1.00 0.00 ATOM 430 OD2 ASP A 53 17.444 26.577 12.046 1.00 0.00 ATOM 431 O ASP A 53 17.718 25.219 6.771 1.00 0.00 ATOM 432 C ASP A 53 18.327 24.721 7.689 1.00 0.00 ATOM 433 N THR A 54 19.608 24.389 7.603 1.00 0.00 ATOM 434 CA THR A 54 20.337 24.379 6.336 1.00 0.00 ATOM 435 CB THR A 54 21.790 23.917 6.582 1.00 0.00 ATOM 436 CG2 THR A 54 22.580 23.835 5.286 1.00 0.00 ATOM 437 OG1 THR A 54 22.435 24.833 7.475 1.00 0.00 ATOM 438 O THR A 54 19.454 23.865 4.151 1.00 0.00 ATOM 439 C THR A 54 19.662 23.475 5.302 1.00 0.00 ATOM 440 N LYS A 55 19.312 22.267 5.721 1.00 0.00 ATOM 441 CA LYS A 55 18.592 21.314 4.878 1.00 0.00 ATOM 442 CB LYS A 55 18.333 20.061 5.692 1.00 0.00 ATOM 443 CG LYS A 55 18.116 18.795 4.965 1.00 0.00 ATOM 444 CD LYS A 55 18.389 17.622 5.909 1.00 0.00 ATOM 445 CE LYS A 55 17.180 17.198 6.743 1.00 0.00 ATOM 446 NZ LYS A 55 16.360 16.137 6.049 1.00 0.00 ATOM 447 O LYS A 55 16.934 21.789 3.216 1.00 0.00 ATOM 448 C LYS A 55 17.263 21.887 4.392 1.00 0.00 ATOM 449 N ARG A 56 16.497 22.485 5.298 1.00 0.00 ATOM 450 CA ARG A 56 15.196 23.059 4.939 1.00 0.00 ATOM 451 CB ARG A 56 14.477 23.552 6.187 1.00 0.00 ATOM 452 CG ARG A 56 13.004 23.818 5.984 1.00 0.00 ATOM 453 CD ARG A 56 12.256 24.011 7.328 1.00 0.00 ATOM 454 NE ARG A 56 12.014 25.427 7.619 1.00 0.00 ATOM 455 CZ ARG A 56 12.806 26.222 8.343 1.00 0.00 ATOM 456 NH1 ARG A 56 13.931 25.773 8.907 1.00 0.00 ATOM 457 NH2 ARG A 56 12.457 27.493 8.518 1.00 0.00 ATOM 458 O ARG A 56 14.580 24.298 2.970 1.00 0.00 ATOM 459 C ARG A 56 15.326 24.210 3.932 1.00 0.00 ATOM 460 N ILE A 57 16.292 25.080 4.170 1.00 0.00 ATOM 461 CA ILE A 57 16.472 26.309 3.389 1.00 0.00 ATOM 462 CB ILE A 57 17.459 27.256 4.101 1.00 0.00 ATOM 463 CG1 ILE A 57 16.858 27.804 5.419 1.00 0.00 ATOM 464 CG2 ILE A 57 17.921 28.382 3.186 1.00 0.00 ATOM 465 CD1 ILE A 57 15.750 28.771 5.285 1.00 0.00 ATOM 466 O ILE A 57 16.411 26.478 1.003 1.00 0.00 ATOM 467 C ILE A 57 16.979 26.010 1.985 1.00 0.00 ATOM 468 N PHE A 58 18.044 25.227 1.901 1.00 0.00 ATOM 469 CA PHE A 58 18.643 24.877 0.623 1.00 0.00 ATOM 470 CB PHE A 58 20.087 24.448 0.810 1.00 0.00 ATOM 471 CG PHE A 58 20.996 25.587 1.045 1.00 0.00 ATOM 472 CD1 PHE A 58 21.440 26.358 -0.023 1.00 0.00 ATOM 473 CD2 PHE A 58 21.369 25.949 2.326 1.00 0.00 ATOM 474 CE1 PHE A 58 22.273 27.438 0.182 1.00 0.00 ATOM 475 CE2 PHE A 58 22.197 27.038 2.541 1.00 0.00 ATOM 476 CZ PHE A 58 22.647 27.787 1.462 1.00 0.00 ATOM 477 O PHE A 58 17.721 23.998 -1.382 1.00 0.00 ATOM 478 C PHE A 58 17.813 23.881 -0.170 1.00 0.00 ATOM 479 N GLY A 59 17.163 22.942 0.506 1.00 0.00 ATOM 480 CA GLY A 59 16.176 22.095 -0.144 1.00 0.00 ATOM 481 O GLY A 59 14.562 22.578 -1.843 1.00 0.00 ATOM 482 C GLY A 59 15.030 22.889 -0.760 1.00 0.00 ATOM 483 N GLY A 60 14.555 23.917 -0.065 1.00 0.00 ATOM 484 CA GLY A 60 13.567 24.821 -0.650 1.00 0.00 ATOM 485 O GLY A 60 13.405 25.770 -2.852 1.00 0.00 ATOM 486 C GLY A 60 14.092 25.599 -1.852 1.00 0.00 ATOM 487 N ILE A 61 15.310 26.104 -1.760 1.00 0.00 ATOM 488 CA ILE A 61 15.914 26.762 -2.909 1.00 0.00 ATOM 489 CB ILE A 61 17.296 27.335 -2.587 1.00 0.00 ATOM 490 CG1 ILE A 61 17.158 28.487 -1.592 1.00 0.00 ATOM 491 CG2 ILE A 61 17.989 27.815 -3.880 1.00 0.00 ATOM 492 CD1 ILE A 61 18.462 29.021 -1.037 1.00 0.00 ATOM 493 O ILE A 61 15.664 26.148 -5.225 1.00 0.00 ATOM 494 C ILE A 61 15.974 25.789 -4.091 1.00 0.00 ATOM 495 N LEU A 62 16.336 24.545 -3.824 1.00 0.00 ATOM 496 CA LEU A 62 16.434 23.564 -4.885 1.00 0.00 ATOM 497 CB LEU A 62 17.116 22.291 -4.390 1.00 0.00 ATOM 498 CG LEU A 62 18.622 22.455 -4.136 1.00 0.00 ATOM 499 CD1 LEU A 62 19.192 21.290 -3.322 1.00 0.00 ATOM 500 CD2 LEU A 62 19.372 22.626 -5.448 1.00 0.00 ATOM 501 O LEU A 62 14.959 23.213 -6.715 1.00 0.00 ATOM 502 C LEU A 62 15.061 23.282 -5.513 1.00 0.00 ATOM 503 N ASP A 63 14.019 23.132 -4.702 1.00 0.00 ATOM 504 CA ASP A 63 12.674 22.913 -5.213 1.00 0.00 ATOM 505 CB ASP A 63 11.653 22.828 -4.074 1.00 0.00 ATOM 506 CG ASP A 63 11.833 21.600 -3.199 1.00 0.00 ATOM 507 OD1 ASP A 63 12.559 20.665 -3.588 1.00 0.00 ATOM 508 OD2 ASP A 63 11.250 21.575 -2.111 1.00 0.00 ATOM 509 O ASP A 63 11.749 23.802 -7.246 1.00 0.00 ATOM 510 C ASP A 63 12.261 24.047 -6.163 1.00 0.00 ATOM 511 N LEU A 64 12.483 25.280 -5.736 1.00 0.00 ATOM 512 CA LEU A 64 12.167 26.448 -6.540 1.00 0.00 ATOM 513 CB LEU A 64 12.426 27.713 -5.742 1.00 0.00 ATOM 514 CG LEU A 64 12.175 29.010 -6.477 1.00 0.00 ATOM 515 CD1 LEU A 64 10.690 29.136 -6.807 1.00 0.00 ATOM 516 CD2 LEU A 64 12.699 30.157 -5.674 1.00 0.00 ATOM 517 O LEU A 64 12.417 26.675 -8.908 1.00 0.00 ATOM 518 C LEU A 64 12.968 26.458 -7.837 1.00 0.00 ATOM 519 N PHE A 65 14.271 26.205 -7.729 1.00 0.00 ATOM 520 CA PHE A 65 15.159 26.231 -8.874 1.00 0.00 ATOM 521 CB PHE A 65 16.623 26.137 -8.425 1.00 0.00 ATOM 522 CG PHE A 65 17.223 27.459 -7.926 1.00 0.00 ATOM 523 CD1 PHE A 65 16.444 28.544 -7.610 1.00 0.00 ATOM 524 CD2 PHE A 65 18.596 27.590 -7.789 1.00 0.00 ATOM 525 CE1 PHE A 65 17.012 29.729 -7.159 1.00 0.00 ATOM 526 CE2 PHE A 65 19.163 28.774 -7.347 1.00 0.00 ATOM 527 CZ PHE A 65 18.384 29.836 -7.041 1.00 0.00 ATOM 528 O PHE A 65 14.867 25.388 -11.082 1.00 0.00 ATOM 529 C PHE A 65 14.805 25.145 -9.898 1.00 0.00 ATOM 530 N GLU A 66 14.398 23.967 -9.434 1.00 0.00 ATOM 531 CA GLU A 66 14.036 22.862 -10.318 1.00 0.00 ATOM 532 CB GLU A 66 13.925 21.554 -9.518 1.00 0.00 ATOM 533 CG GLU A 66 15.300 21.061 -9.062 1.00 0.00 ATOM 534 CD GLU A 66 15.301 19.849 -8.130 1.00 0.00 ATOM 535 OE1 GLU A 66 14.244 19.431 -7.617 1.00 0.00 ATOM 536 OE2 GLU A 66 16.394 19.304 -7.905 1.00 0.00 ATOM 537 O GLU A 66 12.691 22.915 -12.279 1.00 0.00 ATOM 538 C GLU A 66 12.770 23.182 -11.104 1.00 0.00 ATOM 539 N GLU A 67 11.802 23.801 -10.464 1.00 0.00 ATOM 540 CA GLU A 67 10.621 24.232 -11.159 1.00 0.00 ATOM 541 CB GLU A 67 9.556 24.714 -10.179 1.00 0.00 ATOM 542 CG GLU A 67 8.205 25.050 -10.861 1.00 0.00 ATOM 543 CD GLU A 67 7.792 24.016 -11.927 1.00 0.00 ATOM 544 OE1 GLU A 67 7.886 22.800 -11.656 1.00 0.00 ATOM 545 OE2 GLU A 67 7.384 24.415 -13.038 1.00 0.00 ATOM 546 O GLU A 67 10.527 25.196 -13.342 1.00 0.00 ATOM 547 C GLU A 67 10.946 25.305 -12.206 1.00 0.00 ATOM 548 N GLY A 68 11.731 26.302 -11.829 1.00 0.00 ATOM 549 CA GLY A 68 12.104 27.371 -12.739 1.00 0.00 ATOM 550 O GLY A 68 12.692 27.348 -15.047 1.00 0.00 ATOM 551 C GLY A 68 12.945 26.936 -13.922 1.00 0.00 ATOM 552 N ALA A 69 13.946 26.103 -13.675 1.00 0.00 ATOM 553 CA ALA A 69 14.774 25.549 -14.740 1.00 0.00 ATOM 554 CB ALA A 69 15.890 24.720 -14.149 1.00 0.00 ATOM 555 O ALA A 69 14.274 24.703 -16.918 1.00 0.00 ATOM 556 C ALA A 69 13.974 24.714 -15.730 1.00 0.00 ATOM 557 N ALA A 70 12.974 24.011 -15.227 1.00 0.00 ATOM 558 CA ALA A 70 12.087 23.206 -16.041 1.00 0.00 ATOM 559 CB ALA A 70 11.230 22.343 -15.153 1.00 0.00 ATOM 560 O ALA A 70 10.817 23.625 -18.030 1.00 0.00 ATOM 561 C ALA A 70 11.209 24.065 -16.946 1.00 0.00 ATOM 562 N GLU A 71 10.919 25.292 -16.525 1.00 0.00 ATOM 563 CA GLU A 71 10.172 26.224 -17.357 1.00 0.00 ATOM 564 CB GLU A 71 9.265 27.071 -16.501 1.00 0.00 ATOM 565 CG GLU A 71 8.318 26.260 -15.679 1.00 0.00 ATOM 566 CD GLU A 71 7.394 27.120 -14.886 1.00 0.00 ATOM 567 OE1 GLU A 71 7.287 28.315 -15.234 1.00 0.00 ATOM 568 OE2 GLU A 71 6.762 26.606 -13.931 1.00 0.00 ATOM 569 O GLU A 71 10.533 28.043 -18.857 1.00 0.00 ATOM 570 C GLU A 71 11.046 27.152 -18.187 1.00 0.00 ATOM 571 N GLY A 72 12.352 26.944 -18.156 1.00 0.00 ATOM 572 CA GLY A 72 13.275 27.775 -18.899 1.00 0.00 ATOM 573 O GLY A 72 13.733 30.097 -19.139 1.00 0.00 ATOM 574 C GLY A 72 13.326 29.198 -18.398 1.00 0.00 ATOM 575 N LYS A 73 12.904 29.407 -17.150 1.00 0.00 ATOM 576 CA LYS A 73 12.898 30.719 -16.544 1.00 0.00 ATOM 577 CB LYS A 73 12.064 30.723 -15.257 1.00 0.00 ATOM 578 CG LYS A 73 10.559 30.563 -15.436 1.00 0.00 ATOM 579 CD LYS A 73 9.860 31.899 -15.428 1.00 0.00 ATOM 580 CE LYS A 73 8.438 31.775 -15.916 1.00 0.00 ATOM 581 NZ LYS A 73 7.741 33.088 -15.849 1.00 0.00 ATOM 582 O LYS A 73 15.166 30.203 -15.969 1.00 0.00 ATOM 583 C LYS A 73 14.329 31.080 -16.193 1.00 0.00 ATOM 584 N LYS A 74 14.607 32.373 -16.135 1.00 0.00 ATOM 585 CA LYS A 74 15.848 32.847 -15.543 1.00 0.00 ATOM 586 CB LYS A 74 16.115 34.282 -15.976 1.00 0.00 ATOM 587 CG LYS A 74 16.388 34.401 -17.438 1.00 0.00 ATOM 588 CD LYS A 74 16.327 35.836 -17.901 1.00 0.00 ATOM 589 CE LYS A 74 17.377 36.675 -17.239 1.00 0.00 ATOM 590 NZ LYS A 74 17.766 37.855 -18.061 1.00 0.00 ATOM 591 O LYS A 74 14.710 32.902 -13.435 1.00 0.00 ATOM 592 C LYS A 74 15.780 32.771 -14.021 1.00 0.00 ATOM 593 N VAL A 75 16.937 32.592 -13.387 1.00 0.00 ATOM 594 CA VAL A 75 17.039 32.582 -11.940 1.00 0.00 ATOM 595 CB VAL A 75 18.500 32.513 -11.445 1.00 0.00 ATOM 596 CG1 VAL A 75 18.513 32.323 -9.957 1.00 0.00 ATOM 597 CG2 VAL A 75 19.263 31.389 -12.103 1.00 0.00 ATOM 598 O VAL A 75 15.637 33.737 -10.379 1.00 0.00 ATOM 599 C VAL A 75 16.410 33.824 -11.333 1.00 0.00 ATOM 600 N THR A 76 16.730 34.979 -11.896 1.00 0.00 ATOM 601 CA THR A 76 16.262 36.236 -11.349 1.00 0.00 ATOM 602 CB THR A 76 17.134 37.423 -11.804 1.00 0.00 ATOM 603 CG2 THR A 76 18.482 37.390 -11.078 1.00 0.00 ATOM 604 OG1 THR A 76 17.353 37.366 -13.211 1.00 0.00 ATOM 605 O THR A 76 14.202 37.386 -11.045 1.00 0.00 ATOM 606 C THR A 76 14.788 36.495 -11.644 1.00 0.00 ATOM 607 N ASP A 77 14.184 35.720 -12.547 1.00 0.00 ATOM 608 CA ASP A 77 12.729 35.721 -12.674 1.00 0.00 ATOM 609 CB ASP A 77 12.272 34.893 -13.873 1.00 0.00 ATOM 610 CG ASP A 77 12.674 35.485 -15.201 1.00 0.00 ATOM 611 OD1 ASP A 77 12.925 36.710 -15.303 1.00 0.00 ATOM 612 OD2 ASP A 77 12.721 34.690 -16.153 1.00 0.00 ATOM 613 O ASP A 77 10.946 35.472 -11.105 1.00 0.00 ATOM 614 C ASP A 77 12.063 35.122 -11.432 1.00 0.00 ATOM 615 N LEU A 78 12.741 34.191 -10.772 1.00 0.00 ATOM 616 CA LEU A 78 12.229 33.546 -9.561 1.00 0.00 ATOM 617 CB LEU A 78 12.911 32.191 -9.364 1.00 0.00 ATOM 618 CG LEU A 78 12.923 31.256 -10.553 1.00 0.00 ATOM 619 CD1 LEU A 78 13.585 29.970 -10.160 1.00 0.00 ATOM 620 CD2 LEU A 78 11.515 31.030 -11.072 1.00 0.00 ATOM 621 O LEU A 78 11.593 34.590 -7.493 1.00 0.00 ATOM 622 C LEU A 78 12.488 34.372 -8.315 1.00 0.00 ATOM 623 N THR A 79 13.735 34.809 -8.168 1.00 0.00 ATOM 624 CA THR A 79 14.197 35.419 -6.944 1.00 0.00 ATOM 625 CB THR A 79 15.687 35.132 -6.720 1.00 0.00 ATOM 626 CG2 THR A 79 15.932 33.661 -6.667 1.00 0.00 ATOM 627 OG1 THR A 79 16.444 35.713 -7.789 1.00 0.00 ATOM 628 O THR A 79 14.090 37.550 -5.917 1.00 0.00 ATOM 629 C THR A 79 14.067 36.923 -6.969 1.00 0.00 ATOM 630 N GLY A 80 13.963 37.493 -8.167 1.00 0.00 ATOM 631 CA GLY A 80 14.146 38.924 -8.369 1.00 0.00 ATOM 632 O GLY A 80 16.470 38.392 -8.212 1.00 0.00 ATOM 633 C GLY A 80 15.626 39.216 -8.541 1.00 0.00 ATOM 634 N GLU A 81 15.951 40.389 -9.062 1.00 0.00 ATOM 635 CA GLU A 81 17.347 40.750 -9.253 1.00 0.00 ATOM 636 CB GLU A 81 17.487 41.946 -10.186 1.00 0.00 ATOM 637 CG GLU A 81 17.226 41.599 -11.641 1.00 0.00 ATOM 638 CD GLU A 81 17.641 42.699 -12.587 1.00 0.00 ATOM 639 OE1 GLU A 81 18.073 43.770 -12.112 1.00 0.00 ATOM 640 OE2 GLU A 81 17.534 42.490 -13.814 1.00 0.00 ATOM 641 O GLU A 81 19.226 40.812 -7.814 1.00 0.00 ATOM 642 C GLU A 81 18.032 41.030 -7.932 1.00 0.00 ATOM 643 N ASP A 82 17.276 41.506 -6.943 1.00 0.00 ATOM 644 CA ASP A 82 17.771 41.607 -5.585 1.00 0.00 ATOM 645 CB ASP A 82 16.978 42.647 -4.798 1.00 0.00 ATOM 646 CG ASP A 82 17.624 42.989 -3.476 1.00 0.00 ATOM 647 OD1 ASP A 82 18.564 42.281 -3.076 1.00 0.00 ATOM 648 OD2 ASP A 82 17.196 43.977 -2.843 1.00 0.00 ATOM 649 O ASP A 82 16.785 39.971 -4.096 1.00 0.00 ATOM 650 C ASP A 82 17.693 40.243 -4.901 1.00 0.00 ATOM 651 N VAL A 83 18.677 39.403 -5.200 1.00 0.00 ATOM 652 CA VAL A 83 18.717 38.039 -4.671 1.00 0.00 ATOM 653 CB VAL A 83 19.846 37.224 -5.338 1.00 0.00 ATOM 654 CG1 VAL A 83 19.707 35.731 -4.983 1.00 0.00 ATOM 655 CG2 VAL A 83 19.822 37.419 -6.826 1.00 0.00 ATOM 656 O VAL A 83 18.385 37.095 -2.470 1.00 0.00 ATOM 657 C VAL A 83 18.894 37.993 -3.149 1.00 0.00 ATOM 658 N ALA A 84 19.618 38.971 -2.614 1.00 0.00 ATOM 659 CA ALA A 84 19.833 39.079 -1.183 1.00 0.00 ATOM 660 CB ALA A 84 20.802 40.189 -0.899 1.00 0.00 ATOM 661 O ALA A 84 18.288 38.751 0.627 1.00 0.00 ATOM 662 C ALA A 84 18.509 39.306 -0.451 1.00 0.00 ATOM 663 N ALA A 85 17.622 40.107 -1.040 1.00 0.00 ATOM 664 CA ALA A 85 16.309 40.340 -0.449 1.00 0.00 ATOM 665 CB ALA A 85 15.587 41.425 -1.177 1.00 0.00 ATOM 666 O ALA A 85 14.750 38.798 0.511 1.00 0.00 ATOM 667 C ALA A 85 15.483 39.055 -0.437 1.00 0.00 ATOM 668 N PHE A 86 15.605 38.251 -1.496 1.00 0.00 ATOM 669 CA PHE A 86 14.978 36.938 -1.550 1.00 0.00 ATOM 670 CB PHE A 86 15.268 36.276 -2.907 1.00 0.00 ATOM 671 CG PHE A 86 15.044 34.802 -2.936 1.00 0.00 ATOM 672 CD1 PHE A 86 13.771 34.289 -3.103 1.00 0.00 ATOM 673 CD2 PHE A 86 16.108 33.925 -2.844 1.00 0.00 ATOM 674 CE1 PHE A 86 13.559 32.939 -3.116 1.00 0.00 ATOM 675 CE2 PHE A 86 15.901 32.569 -2.866 1.00 0.00 ATOM 676 CZ PHE A 86 14.620 32.073 -3.004 1.00 0.00 ATOM 677 O PHE A 86 14.686 35.438 0.279 1.00 0.00 ATOM 678 C PHE A 86 15.475 36.063 -0.396 1.00 0.00 ATOM 679 N CYS A 87 16.782 36.011 -0.187 1.00 0.00 ATOM 680 CA CYS A 87 17.341 35.218 0.912 1.00 0.00 ATOM 681 CB CYS A 87 18.859 35.284 0.904 1.00 0.00 ATOM 682 SG CYS A 87 19.590 34.534 -0.519 1.00 0.00 ATOM 683 O CYS A 87 16.587 34.831 3.159 1.00 0.00 ATOM 684 C CYS A 87 16.792 35.669 2.277 1.00 0.00 ATOM 685 N ASP A 88 16.511 36.970 2.413 1.00 0.00 ATOM 686 CA ASP A 88 15.901 37.548 3.624 1.00 0.00 ATOM 687 CB ASP A 88 15.771 39.071 3.508 1.00 0.00 ATOM 688 CG ASP A 88 17.086 39.790 3.622 1.00 0.00 ATOM 689 OD1 ASP A 88 18.119 39.149 3.953 1.00 0.00 ATOM 690 OD2 ASP A 88 17.064 41.016 3.362 1.00 0.00 ATOM 691 O ASP A 88 14.184 36.689 5.032 1.00 0.00 ATOM 692 C ASP A 88 14.506 37.042 3.898 1.00 0.00 ATOM 693 N GLU A 89 13.649 37.082 2.888 1.00 0.00 ATOM 694 CA GLU A 89 12.303 36.536 3.034 1.00 0.00 ATOM 695 CB GLU A 89 11.473 36.757 1.767 1.00 0.00 ATOM 696 CG GLU A 89 10.709 38.060 1.764 1.00 0.00 ATOM 697 CD GLU A 89 9.789 38.169 2.967 1.00 0.00 ATOM 698 OE1 GLU A 89 8.985 37.229 3.180 1.00 0.00 ATOM 699 OE2 GLU A 89 9.892 39.176 3.706 1.00 0.00 ATOM 700 O GLU A 89 11.602 34.514 4.140 1.00 0.00 ATOM 701 C GLU A 89 12.382 35.050 3.346 1.00 0.00 ATOM 702 N LEU A 90 13.335 34.394 2.701 1.00 0.00 ATOM 703 CA LEU A 90 13.534 32.974 2.868 1.00 0.00 ATOM 704 CB LEU A 90 14.646 32.508 1.930 1.00 0.00 ATOM 705 CG LEU A 90 14.888 31.025 1.711 1.00 0.00 ATOM 706 CD1 LEU A 90 13.648 30.351 1.188 1.00 0.00 ATOM 707 CD2 LEU A 90 16.021 30.861 0.734 1.00 0.00 ATOM 708 O LEU A 90 13.338 31.797 4.921 1.00 0.00 ATOM 709 C LEU A 90 13.889 32.690 4.326 1.00 0.00 ATOM 710 N MET A 91 14.784 33.489 4.888 1.00 0.00 ATOM 711 CA MET A 91 15.314 33.280 6.244 1.00 0.00 ATOM 712 CB MET A 91 16.746 33.799 6.305 1.00 0.00 ATOM 713 CG MET A 91 17.733 33.007 5.535 1.00 0.00 ATOM 714 SD MET A 91 18.113 31.348 6.398 1.00 0.00 ATOM 715 CE MET A 91 18.833 32.056 8.081 1.00 0.00 ATOM 716 O MET A 91 14.994 33.864 8.528 1.00 0.00 ATOM 717 C MET A 91 14.556 33.959 7.387 1.00 0.00 ATOM 718 N LYS A 92 13.443 34.635 7.108 1.00 0.00 ATOM 719 CA LYS A 92 12.857 35.551 8.092 1.00 0.00 ATOM 720 CB LYS A 92 11.672 36.344 7.498 1.00 0.00 ATOM 721 CG LYS A 92 10.382 35.546 7.248 1.00 0.00 ATOM 722 CD LYS A 92 9.220 36.465 6.830 1.00 0.00 ATOM 723 O LYS A 92 12.463 35.559 10.472 1.00 0.00 ATOM 724 C LYS A 92 12.456 34.892 9.421 1.00 0.00 ATOM 725 N ASP A 93 12.117 33.603 9.377 1.00 0.00 ATOM 726 CA ASP A 93 11.695 32.875 10.576 1.00 0.00 ATOM 727 CB ASP A 93 10.300 32.277 10.357 1.00 0.00 ATOM 728 CG ASP A 93 9.222 33.347 10.229 1.00 0.00 ATOM 729 OD1 ASP A 93 9.138 34.220 11.124 1.00 0.00 ATOM 730 OD2 ASP A 93 8.462 33.312 9.233 1.00 0.00 ATOM 731 O ASP A 93 12.371 30.865 11.700 1.00 0.00 ATOM 732 C ASP A 93 12.691 31.787 10.957 1.00 0.00 ATOM 733 N THR A 94 13.905 31.907 10.446 1.00 0.00 ATOM 734 CA THR A 94 14.963 30.954 10.727 1.00 0.00 ATOM 735 CB THR A 94 15.504 30.349 9.425 1.00 0.00 ATOM 736 CG2 THR A 94 16.677 29.428 9.671 1.00 0.00 ATOM 737 OG1 THR A 94 14.465 29.603 8.798 1.00 0.00 ATOM 738 O THR A 94 16.449 32.803 11.130 1.00 0.00 ATOM 739 C THR A 94 16.062 31.684 11.484 1.00 0.00 ATOM 740 N LYS A 95 16.558 31.037 12.526 1.00 0.00 ATOM 741 CA LYS A 95 17.623 31.581 13.342 1.00 0.00 ATOM 742 CB LYS A 95 17.876 30.682 14.561 1.00 0.00 ATOM 743 CG LYS A 95 18.848 31.275 15.591 1.00 0.00 ATOM 744 CD LYS A 95 19.058 30.335 16.801 1.00 0.00 ATOM 745 CE LYS A 95 17.882 30.348 17.789 1.00 0.00 ATOM 746 O LYS A 95 19.248 30.718 11.824 1.00 0.00 ATOM 747 C LYS A 95 18.880 31.678 12.504 1.00 0.00 ATOM 748 N THR A 96 19.506 32.855 12.548 1.00 0.00 ATOM 749 CA THR A 96 20.791 33.118 11.907 1.00 0.00 ATOM 750 CB THR A 96 20.836 34.513 11.233 1.00 0.00 ATOM 751 CG2 THR A 96 19.646 34.750 10.373 1.00 0.00 ATOM 752 OG1 THR A 96 20.890 35.538 12.229 1.00 0.00 ATOM 753 O THR A 96 21.647 33.224 14.153 1.00 0.00 ATOM 754 C THR A 96 21.900 33.104 12.943 1.00 0.00 ATOM 755 N TRP A 97 23.138 32.982 12.483 1.00 0.00 ATOM 756 CA TRP A 97 24.282 33.120 13.390 1.00 0.00 ATOM 757 CB TRP A 97 25.602 32.864 12.670 1.00 0.00 ATOM 758 CG TRP A 97 25.859 31.439 12.390 1.00 0.00 ATOM 759 CD1 TRP A 97 25.830 30.830 11.180 1.00 0.00 ATOM 760 CD2 TRP A 97 26.187 30.425 13.345 1.00 0.00 ATOM 761 CE2 TRP A 97 26.339 29.220 12.637 1.00 0.00 ATOM 762 CE3 TRP A 97 26.366 30.421 14.729 1.00 0.00 ATOM 763 NE1 TRP A 97 26.118 29.493 11.317 1.00 0.00 ATOM 764 CZ2 TRP A 97 26.665 28.019 13.263 1.00 0.00 ATOM 765 CZ3 TRP A 97 26.688 29.230 15.353 1.00 0.00 ATOM 766 CH2 TRP A 97 26.834 28.043 14.618 1.00 0.00 ATOM 767 O TRP A 97 24.659 34.645 15.187 1.00 0.00 ATOM 768 C TRP A 97 24.294 34.505 14.028 1.00 0.00 ATOM 769 N MET A 98 23.884 35.531 13.287 1.00 0.00 ATOM 770 CA MET A 98 23.794 36.876 13.878 1.00 0.00 ATOM 771 CB MET A 98 23.356 37.915 12.851 1.00 0.00 ATOM 772 CG MET A 98 24.481 38.484 12.031 1.00 0.00 ATOM 773 SD MET A 98 25.885 39.410 13.038 1.00 0.00 ATOM 774 CE MET A 98 27.159 38.350 12.981 1.00 0.00 ATOM 775 O MET A 98 23.177 37.484 16.108 1.00 0.00 ATOM 776 C MET A 98 22.844 36.912 15.072 1.00 0.00 ATOM 777 N ASP A 99 21.678 36.291 14.928 1.00 0.00 ATOM 778 CA ASP A 99 20.743 36.112 16.042 1.00 0.00 ATOM 779 CB ASP A 99 19.581 35.205 15.642 1.00 0.00 ATOM 780 CG ASP A 99 18.681 35.827 14.629 1.00 0.00 ATOM 781 OD1 ASP A 99 18.637 37.068 14.560 1.00 0.00 ATOM 782 OD2 ASP A 99 18.014 35.078 13.896 1.00 0.00 ATOM 783 O ASP A 99 21.244 36.010 18.386 1.00 0.00 ATOM 784 C ASP A 99 21.427 35.520 17.271 1.00 0.00 ATOM 785 N LYS A 100 22.207 34.463 17.061 1.00 0.00 ATOM 786 CA LYS A 100 22.960 33.834 18.140 1.00 0.00 ATOM 787 CB LYS A 100 23.635 32.551 17.657 1.00 0.00 ATOM 788 CG LYS A 100 22.661 31.443 17.301 1.00 0.00 ATOM 789 CD LYS A 100 23.389 30.150 16.927 1.00 0.00 ATOM 790 CE LYS A 100 23.861 29.375 18.161 1.00 0.00 ATOM 791 NZ LYS A 100 22.721 28.767 18.913 1.00 0.00 ATOM 792 O LYS A 100 24.237 34.757 19.936 1.00 0.00 ATOM 793 C LYS A 100 24.013 34.765 18.731 1.00 0.00 ATOM 794 N TYR A 101 24.672 35.563 17.896 1.00 0.00 ATOM 795 CA TYR A 101 25.705 36.469 18.410 1.00 0.00 ATOM 796 CB TYR A 101 26.576 37.017 17.284 1.00 0.00 ATOM 797 CG TYR A 101 27.301 35.979 16.467 1.00 0.00 ATOM 798 CD1 TYR A 101 27.767 34.793 17.020 1.00 0.00 ATOM 799 CD2 TYR A 101 27.542 36.202 15.143 1.00 0.00 ATOM 800 CE1 TYR A 101 28.431 33.860 16.238 1.00 0.00 ATOM 801 CE2 TYR A 101 28.201 35.292 14.361 1.00 0.00 ATOM 802 CZ TYR A 101 28.651 34.125 14.923 1.00 0.00 ATOM 803 OH TYR A 101 29.306 33.216 14.128 1.00 0.00 ATOM 804 O TYR A 101 25.761 38.121 20.131 1.00 0.00 ATOM 805 C TYR A 101 25.119 37.624 19.209 1.00 0.00 ATOM 806 N ARG A 102 23.924 38.068 18.841 1.00 0.00 ATOM 807 CA ARG A 102 23.206 39.089 19.612 1.00 0.00 ATOM 808 CB ARG A 102 21.888 39.474 18.940 1.00 0.00 ATOM 809 CG ARG A 102 22.034 40.126 17.578 1.00 0.00 ATOM 810 CD ARG A 102 20.691 40.244 16.876 1.00 0.00 ATOM 811 NE ARG A 102 19.877 41.323 17.433 1.00 0.00 ATOM 812 CZ ARG A 102 20.028 42.616 17.142 1.00 0.00 ATOM 813 NH1 ARG A 102 20.971 43.010 16.286 1.00 0.00 ATOM 814 NH2 ARG A 102 19.231 43.520 17.715 1.00 0.00 ATOM 815 O ARG A 102 23.124 39.282 22.005 1.00 0.00 ATOM 816 C ARG A 102 22.922 38.574 21.020 1.00 0.00 ATOM 817 N THR A 103 22.463 37.331 21.103 1.00 0.00 ATOM 818 CA THR A 103 22.246 36.679 22.382 1.00 0.00 ATOM 819 CB THR A 103 21.641 35.285 22.178 1.00 0.00 ATOM 820 CG2 THR A 103 21.319 34.610 23.515 1.00 0.00 ATOM 821 OG1 THR A 103 20.440 35.422 21.420 1.00 0.00 ATOM 822 O THR A 103 23.572 36.912 24.347 1.00 0.00 ATOM 823 C THR A 103 23.543 36.569 23.174 1.00 0.00 ATOM 824 N LYS A 104 24.613 36.095 22.541 1.00 0.00 ATOM 825 CA LYS A 104 25.909 35.995 23.224 1.00 0.00 ATOM 826 CB LYS A 104 26.980 35.440 22.275 1.00 0.00 ATOM 827 CG LYS A 104 28.301 35.082 22.968 1.00 0.00 ATOM 828 CD LYS A 104 29.278 34.373 22.026 1.00 0.00 ATOM 829 O LYS A 104 26.731 37.448 24.960 1.00 0.00 ATOM 830 C LYS A 104 26.340 37.357 23.811 1.00 0.00 ATOM 831 N LEU A 105 26.231 38.418 23.018 1.00 0.00 ATOM 832 CA LEU A 105 26.603 39.758 23.466 1.00 0.00 ATOM 833 CB LEU A 105 26.394 40.755 22.321 1.00 0.00 ATOM 834 CG LEU A 105 26.676 42.222 22.676 1.00 0.00 ATOM 835 CD1 LEU A 105 28.098 42.396 23.109 1.00 0.00 ATOM 836 CD2 LEU A 105 26.357 43.101 21.528 1.00 0.00 ATOM 837 O LEU A 105 26.313 40.564 25.736 1.00 0.00 ATOM 838 C LEU A 105 25.776 40.175 24.688 1.00 0.00 ATOM 839 N ASN A 106 24.459 40.080 24.545 1.00 0.00 ATOM 840 CA ASN A 106 23.538 40.464 25.614 1.00 0.00 ATOM 841 CB ASN A 106 22.095 40.372 25.115 1.00 0.00 ATOM 842 CG ASN A 106 21.771 41.406 24.030 1.00 0.00 ATOM 843 ND2 ASN A 106 20.636 41.218 23.386 1.00 0.00 ATOM 844 OD1 ASN A 106 22.513 42.370 23.798 1.00 0.00 ATOM 845 O ASN A 106 23.703 40.183 27.978 1.00 0.00 ATOM 846 C ASN A 106 23.723 39.640 26.890 1.00 0.00 ATOM 847 N ASP A 107 23.929 38.336 26.749 1.00 0.00 ATOM 848 CA ASP A 107 24.175 37.470 27.905 1.00 0.00 ATOM 849 CB ASP A 107 24.107 35.987 27.498 1.00 0.00 ATOM 850 CG ASP A 107 22.691 35.532 27.144 1.00 0.00 ATOM 851 OD1 ASP A 107 21.731 36.319 27.328 1.00 0.00 ATOM 852 OD2 ASP A 107 22.539 34.380 26.675 1.00 0.00 ATOM 853 O ASP A 107 25.678 37.720 29.761 1.00 0.00 ATOM 854 C ASP A 107 25.527 37.765 28.541 1.00 0.00 ATOM 855 N SER A 108 26.517 38.057 27.716 1.00 0.00 ATOM 856 CA SER A 108 27.850 38.386 28.212 1.00 0.00 ATOM 857 CB SER A 108 28.797 38.597 27.027 1.00 0.00 ATOM 858 OG SER A 108 30.099 38.855 27.497 1.00 0.00 ATOM 859 O SER A 108 28.441 39.625 30.172 1.00 0.00 ATOM 860 C SER A 108 27.851 39.616 29.101 1.00 0.00 ATOM 861 N ILE A 109 27.183 40.665 28.662 1.00 0.00 ATOM 862 CA ILE A 109 27.180 41.917 29.399 1.00 0.00 ATOM 863 CB ILE A 109 26.929 43.112 28.468 1.00 0.00 ATOM 864 CG1 ILE A 109 28.196 43.380 27.656 1.00 0.00 ATOM 865 CG2 ILE A 109 26.597 44.406 29.250 1.00 0.00 ATOM 866 CD1 ILE A 109 27.992 44.248 26.480 1.00 0.00 ATOM 867 O ILE A 109 26.443 42.402 31.626 1.00 0.00 ATOM 868 C ILE A 109 26.194 41.845 30.563 1.00 0.00 ATOM 869 N GLY A 110 25.088 41.137 30.364 1.00 0.00 ATOM 870 CA GLY A 110 24.120 40.926 31.434 1.00 0.00 ATOM 871 O GLY A 110 23.170 43.101 31.156 1.00 0.00 ATOM 872 C GLY A 110 23.583 42.244 31.946 1.00 0.00 ATOM 873 N ARG A 111 23.603 42.416 33.266 1.00 0.00 ATOM 874 CA ARG A 111 23.151 43.655 33.884 1.00 0.00 ATOM 875 CB ARG A 111 22.236 43.346 35.086 1.00 0.00 ATOM 876 CG ARG A 111 21.030 42.457 34.744 1.00 0.00 ATOM 877 CD ARG A 111 20.032 42.378 35.896 1.00 0.00 ATOM 878 O ARG A 111 24.168 45.389 35.178 1.00 0.00 ATOM 879 C ARG A 111 24.331 44.541 34.312 1.00 0.00 ATOM 880 N ASP A 112 25.504 44.361 33.693 1.00 0.00 ATOM 881 CA ASP A 112 26.713 45.164 34.027 1.00 0.00 ATOM 882 CB ASP A 112 27.966 44.613 33.305 1.00 0.00 ATOM 883 CG ASP A 112 28.492 43.306 33.911 1.00 0.00 ATOM 884 OD1 ASP A 112 28.113 42.956 35.058 1.00 0.00 ATOM 885 OD2 ASP A 112 29.303 42.635 33.226 1.00 0.00 ATOM 886 O ASP A 112 27.322 47.501 34.212 1.00 0.00 ATOM 887 C ASP A 112 26.569 46.661 33.693 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 T0283.undertaker-align.pdb looking for model 1 # WARNING: incomplete conformation T0283 can't currently be optimized by undertaker # command:# naming current conformation align1 # command:Warning: Couldn't open file decoys/align1.gdt for output # fraction of real conformation used = 0.759 # GDT_score = -26.339 # GDT_score(maxd=8.000,maxw=2.900)= -25.130 # GDT_score(maxd=8.000,maxw=3.200)= -24.089 # GDT_score(maxd=8.000,maxw=3.500)= -23.172 # GDT_score(maxd=10.000,maxw=3.800)= -25.429 # GDT_score(maxd=10.000,maxw=4.000)= -24.815 # GDT_score(maxd=10.000,maxw=4.200)= -24.186 # GDT_score(maxd=12.000,maxw=4.300)= -26.302 # GDT_score(maxd=12.000,maxw=4.500)= -25.649 # GDT_score(maxd=12.000,maxw=4.700)= -25.015 # GDT_score(maxd=14.000,maxw=5.200)= -25.405 # GDT_score(maxd=14.000,maxw=5.500)= -24.535 # command:# ReadConformPDB reading from PDB file T0283.undertaker-align.pdb looking for model 2 WARNING: atoms too close: (T0283)R23.C and (T0283)T44.C only 0.000 apart, marking (T0283)T44.C as missing WARNING: atoms too close: (T0283)A24.N and (T0283)S45.N only 0.000 apart, marking (T0283)A24.N as missing WARNING: atoms too close: (T0283)A24.CA and (T0283)S45.CA only 0.000 apart, marking (T0283)A24.CA as missing WARNING: atoms too close: (T0283)S45.C and (T0283)G47.C only 0.000 apart, marking (T0283)G47.C as missing WARNING: atoms too close: (T0283)G46.N and (T0283)P48.N only 0.000 apart, marking (T0283)G46.N as missing WARNING: atoms too close: (T0283)G46.CA and (T0283)P48.CA only 0.000 apart, marking (T0283)G46.CA as missing # WARNING: incomplete conformation T0283 can't currently be optimized by undertaker # command:# naming current conformation align2 # command:Warning: Couldn't open file decoys/align2.gdt for output # fraction of real conformation used = 0.357 # GDT_score = -25.893 # GDT_score(maxd=8.000,maxw=2.900)= -26.161 # GDT_score(maxd=8.000,maxw=3.200)= -25.685 # GDT_score(maxd=8.000,maxw=3.500)= -25.058 # GDT_score(maxd=10.000,maxw=3.800)= -25.735 # GDT_score(maxd=10.000,maxw=4.000)= -25.290 # GDT_score(maxd=10.000,maxw=4.200)= -24.804 # GDT_score(maxd=12.000,maxw=4.300)= -25.737 # GDT_score(maxd=12.000,maxw=4.500)= -25.251 # GDT_score(maxd=12.000,maxw=4.700)= -24.750 # GDT_score(maxd=14.000,maxw=5.200)= -24.562 # GDT_score(maxd=14.000,maxw=5.500)= -23.806 # command:# ReadConformPDB reading from PDB file T0283.undertaker-align.pdb looking for model 3 WARNING: atoms too close: (T0283)T49.C and (T0283)D50.C only 0.000 apart, marking (T0283)D50.C as missing WARNING: atoms too close: (T0283)D50.N and (T0283)W51.N only 0.000 apart, marking (T0283)D50.N as missing WARNING: atoms too close: (T0283)D50.CA and (T0283)W51.CA only 0.000 apart, marking (T0283)D50.CA as missing # WARNING: incomplete conformation T0283 can't currently be optimized by undertaker # command:# naming current conformation align3 # command:# ReadConformPDB reading from PDB file T0283.undertaker-align.pdb looking for model 4 WARNING: atoms too close: (T0283)K25.C and (T0283)K29.C only 0.000 apart, marking (T0283)K29.C as missing WARNING: atoms too close: (T0283)A26.N and (T0283)E30.N only 0.000 apart, marking (T0283)A26.N as missing WARNING: atoms too close: (T0283)A26.CA and (T0283)E30.CA only 0.000 apart, marking (T0283)A26.CA as missing WARNING: atoms too close: (T0283)K40.C and (T0283)T44.C only 0.000 apart, marking (T0283)T44.C as missing WARNING: atoms too close: (T0283)Y41.N and (T0283)S45.N only 0.000 apart, marking (T0283)Y41.N as missing WARNING: atoms too close: (T0283)Y41.CA and (T0283)S45.CA only 0.000 apart, marking (T0283)Y41.CA as missing WARNING: atoms too close: (T0283)D50.C and (T0283)W51.C only 0.000 apart, marking (T0283)W51.C as missing WARNING: atoms too close: (T0283)W51.N and (T0283)Q52.N only 0.000 apart, marking (T0283)W51.N as missing WARNING: atoms too close: (T0283)W51.CA and (T0283)Q52.CA only 0.000 apart, marking (T0283)W51.CA as missing # WARNING: incomplete conformation T0283 can't currently be optimized by undertaker # command:# naming current conformation align4 # command:# ReadConformPDB reading from PDB file T0283.undertaker-align.pdb looking for model 5 WARNING: atoms too close: (T0283)P48.C and (T0283)T49.C only 0.000 apart, marking (T0283)T49.C as missing WARNING: atoms too close: (T0283)T49.N and (T0283)D50.N only 0.000 apart, marking (T0283)T49.N as missing WARNING: atoms too close: (T0283)T49.CA and (T0283)D50.CA only 0.000 apart, marking (T0283)T49.CA as missing WARNING: atoms too close: (T0283)A69.C and (T0283)G80.C only 0.000 apart, marking (T0283)G80.C as missing WARNING: atoms too close: (T0283)A70.N and (T0283)E81.N only 0.000 apart, marking (T0283)A70.N as missing WARNING: atoms too close: (T0283)A70.CA and (T0283)E81.CA only 0.000 apart, marking (T0283)A70.CA as missing # WARNING: incomplete conformation T0283 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 97 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file ../model2.ts-submitted looking for model 1 # Found a chain break before 110 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file ../model3.ts-submitted looking for model 1 # Found a chain break before 97 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file ../model4.ts-submitted looking for model 1 # Found a chain break before 88 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file ../model5.ts-submitted looking for model 1 # Found a chain break before 80 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0283.first_try-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 88 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0283.first_try-opt1.pdb.gz looking for model 1 # Found a chain break before 88 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0283.first_try-opt2.gromacs0.pdb.gz looking for model 1 # ReadConformPDB reading from PDB file T0283.first_try-opt2.pdb.gz looking for model 1 # Found a chain break before 88 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0283.first_try-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 88 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0283.try1-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 94 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0283.try1-opt1.pdb.gz looking for model 1 # Found a chain break before 94 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0283.try1-opt2.gromacs0.pdb.gz looking for model 1 # ReadConformPDB reading from PDB file T0283.try1-opt2.pdb.gz looking for model 1 # Found a chain break before 47 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0283.try1-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 T0283.try10-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 97 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0283.try10-opt1.pdb.gz looking for model 1 # Found a chain break before 97 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0283.try10-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 110 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0283.try10-opt2.pdb.gz looking for model 1 # Found a chain break before 97 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0283.try10-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 97 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0283.try11-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 110 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0283.try11-opt1.pdb.gz looking for model 1 # Found a chain break before 110 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0283.try11-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 72 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0283.try11-opt2.pdb.gz looking for model 1 # Found a chain break before 110 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0283.try11-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 110 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0283.try12-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 110 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0283.try12-opt1.pdb.gz looking for model 1 # Found a chain break before 110 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0283.try12-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 27 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0283.try12-opt2.pdb.gz looking for model 1 # Found a chain break before 110 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0283.try12-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 110 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0283.try13-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 110 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0283.try13-opt1.pdb.gz looking for model 1 # Found a chain break before 110 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0283.try13-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 27 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0283.try13-opt2.pdb.gz looking for model 1 # Found a chain break before 110 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0283.try13-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 110 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0283.try14-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 71 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0283.try14-opt1.pdb.gz looking for model 1 # Found a chain break before 71 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0283.try14-opt2.gromacs0.pdb.gz looking for model 1 # ReadConformPDB reading from PDB file T0283.try14-opt2.pdb.gz looking for model 1 # Found a chain break before 80 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0283.try14-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 80 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0283.try16-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 110 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0283.try16-opt1.pdb.gz looking for model 1 # Found a chain break before 110 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0283.try16-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 27 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0283.try16-opt2.pdb.gz looking for model 1 # Found a chain break before 110 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0283.try16-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 110 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0283.try17-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 110 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0283.try17-opt1.pdb.gz looking for model 1 # Found a chain break before 110 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0283.try17-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 27 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0283.try17-opt2.pdb.gz looking for model 1 # Found a chain break before 110 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0283.try17-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 110 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0283.try18-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 110 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0283.try18-opt1.pdb.gz looking for model 1 # Found a chain break before 110 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0283.try18-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 27 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0283.try18-opt2.pdb.gz looking for model 1 # Found a chain break before 110 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0283.try18-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 110 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0283.try19-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 97 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0283.try19-opt1.pdb.gz looking for model 1 # Found a chain break before 97 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0283.try19-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 27 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0283.try19-opt2.pdb.gz looking for model 1 # Found a chain break before 110 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0283.try19-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 110 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0283.try2-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 82 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0283.try2-opt1.pdb.gz looking for model 1 # Found a chain break before 82 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0283.try2-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 82 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0283.try2-opt2.pdb.gz looking for model 1 # Found a chain break before 82 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0283.try2-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 82 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0283.try20-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 110 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0283.try20-opt1.pdb.gz looking for model 1 # Found a chain break before 110 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0283.try20-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 72 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0283.try20-opt2.pdb.gz looking for model 1 # Found a chain break before 110 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0283.try20-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 110 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0283.try21-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 110 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0283.try21-opt1.pdb.gz looking for model 1 # Found a chain break before 110 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0283.try21-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 50 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0283.try21-opt2.pdb.gz looking for model 1 # Found a chain break before 110 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0283.try21-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 110 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0283.try22-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 97 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0283.try22-opt1.pdb.gz looking for model 1 # Found a chain break before 97 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0283.try22-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 27 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0283.try22-opt2.pdb.gz looking for model 1 # Found a chain break before 97 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0283.try22-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 97 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0283.try23-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 110 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0283.try23-opt1.pdb.gz looking for model 1 # Found a chain break before 110 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0283.try23-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 27 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0283.try23-opt2.pdb.gz looking for model 1 # Found a chain break before 110 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0283.try23-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 110 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0283.try24-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 97 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0283.try24-opt1.pdb.gz looking for model 1 # Found a chain break before 97 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0283.try24-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 27 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0283.try24-opt2.pdb.gz looking for model 1 # Found a chain break before 97 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0283.try24-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 97 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0283.try25-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 110 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0283.try25-opt1.pdb.gz looking for model 1 # Found a chain break before 110 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0283.try25-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 27 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0283.try25-opt2.pdb.gz looking for model 1 # Found a chain break before 110 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0283.try25-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 110 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0283.try26-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 97 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0283.try26-opt1.pdb.gz looking for model 1 # Found a chain break before 97 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0283.try26-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 27 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0283.try26-opt2.pdb.gz looking for model 1 # Found a chain break before 110 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0283.try26-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 110 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0283.try27-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 110 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0283.try27-opt1.pdb.gz looking for model 1 # Found a chain break before 110 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0283.try27-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 27 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0283.try27-opt2.pdb.gz looking for model 1 # Found a chain break before 110 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0283.try27-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 110 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0283.try28-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 110 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0283.try28-opt1.pdb.gz looking for model 1 # Found a chain break before 110 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0283.try28-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 27 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0283.try28-opt2.pdb.gz looking for model 1 # Found a chain break before 110 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0283.try28-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 110 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0283.try29-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 97 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0283.try29-opt1.pdb.gz looking for model 1 # Found a chain break before 97 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0283.try29-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 27 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0283.try29-opt2.pdb.gz looking for model 1 # Found a chain break before 97 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0283.try29-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 97 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0283.try3-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 79 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0283.try3-opt1.pdb.gz looking for model 1 # Found a chain break before 79 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0283.try3-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 50 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0283.try3-opt2.pdb.gz looking for model 1 # Found a chain break before 110 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0283.try3-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 110 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0283.try4-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 92 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0283.try4-opt1.pdb.gz looking for model 1 # Found a chain break before 92 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0283.try4-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 27 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0283.try4-opt2.pdb.gz looking for model 1 # Found a chain break before 97 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0283.try4-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 97 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0283.try5-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 97 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0283.try5-opt1.pdb.gz looking for model 1 # Found a chain break before 97 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0283.try5-opt2.gromacs0.pdb.gz looking for model 1 # ReadConformPDB reading from PDB file T0283.try5-opt2.pdb.gz looking for model 1 # Found a chain break before 97 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0283.try5-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 97 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0283.try6-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 97 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0283.try6-opt1.pdb.gz looking for model 1 # Found a chain break before 97 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0283.try6-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 27 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0283.try6-opt2.pdb.gz looking for model 1 # Found a chain break before 97 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0283.try6-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 97 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0283.try7-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 97 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0283.try7-opt1.pdb.gz looking for model 1 # Found a chain break before 97 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0283.try7-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 72 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0283.try7-opt2.pdb.gz looking for model 1 # Found a chain break before 110 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0283.try7-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 110 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0283.try8-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 97 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0283.try8-opt1.pdb.gz looking for model 1 # Found a chain break before 97 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0283.try8-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 110 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0283.try8-opt2.pdb.gz looking for model 1 # Found a chain break before 97 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0283.try8-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 97 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0283.try9-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 110 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0283.try9-opt1.pdb.gz looking for model 1 # Found a chain break before 110 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0283.try9-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 72 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0283.try9-opt2.pdb.gz looking for model 1 # Found a chain break before 110 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0283.try9-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 110 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file crazyCapHelix75-77tighter.renum.pdb.gz looking for model 1 # Found a chain break before 110 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file crazyCapHelixTake3.renum.pdb.gz looking for model 1 # Found a chain break before 110 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file g79-80coil.try1.renum.pdb.gz looking for model 1 # Found a chain break before 97 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file g80.randomPerturbOfG80coil.renum.gromacs0.pdb.gz looking for model 1 # Found a chain break before 94 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file g80.randomPerturbOfG80coil.renum.pdb.gz looking for model 1 # Found a chain break before 97 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file helix80-93rotateFromTry6.renum.pdb.gz looking for model 1 # Found a chain break before 97 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file helix81-92rotateFromTry6.renum.pdb.gz looking for model 1 # Found a chain break before 97 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file liftTyr31.fromTry9.renum.pdb.gz looking for model 1 # Found a chain break before 110 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file robetta-model1.pdb.gz looking for model 1 # ReadConformPDB reading from PDB file robetta-model10.pdb.gz looking for model 1 # WARNING: incomplete conformation T0283 can't currently be optimized by undertaker # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file robetta-model2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0283 can't currently be optimized by undertaker # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file robetta-model3.pdb.gz looking for model 1 # ReadConformPDB reading from PDB file robetta-model4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0283 can't currently be optimized by undertaker # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file robetta-model5.pdb.gz looking for model 1 # ReadConformPDB reading from PDB file robetta-model6.pdb.gz looking for model 1 # WARNING: incomplete conformation T0283 can't currently be optimized by undertaker # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file robetta-model7.pdb.gz looking for model 1 # ReadConformPDB reading from PDB file robetta-model8.pdb.gz looking for model 1 # WARNING: incomplete conformation T0283 can't currently be optimized by undertaker # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file robetta-model9.pdb.gz looking for model 1 # ReadConformPDB reading from PDB file rotNtermFromTry26.renum.pdb.gz looking for model 1 # Found a chain break before 110 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file rotNtermLessFromTry26.renum.pdb.gz looking for model 1 # Found a chain break before 110 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file servers/3D-JIGSAW_POPULUS_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0283 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 101 ; scwrl3 -i /var/tmp/to_scwrl_1334642433.pdb -s /var/tmp/to_scwrl_1334642433.seq -o /var/tmp/from_scwrl_1334642433.pdb > /var/tmp/scwrl_1334642433.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1334642433.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 T0283 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 101 ; scwrl3 -i /var/tmp/to_scwrl_976819097.pdb -s /var/tmp/to_scwrl_976819097.seq -o /var/tmp/from_scwrl_976819097.pdb > /var/tmp/scwrl_976819097.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_976819097.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 T0283 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 101 ; scwrl3 -i /var/tmp/to_scwrl_127892301.pdb -s /var/tmp/to_scwrl_127892301.seq -o /var/tmp/from_scwrl_127892301.pdb > /var/tmp/scwrl_127892301.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_127892301.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 T0283 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 101 ; scwrl3 -i /var/tmp/to_scwrl_516036836.pdb -s /var/tmp/to_scwrl_516036836.seq -o /var/tmp/from_scwrl_516036836.pdb > /var/tmp/scwrl_516036836.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_516036836.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 T0283 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation 3D-JIGSAW_POPULUS_TS5 # request to SCWRL produces command: ulimit -t 101 ; scwrl3 -i /var/tmp/to_scwrl_2133737735.pdb -s /var/tmp/to_scwrl_2133737735.seq -o /var/tmp/from_scwrl_2133737735.pdb > /var/tmp/scwrl_2133737735.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2133737735.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 T0283 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation 3D-JIGSAW_RECOM_TS1 # request to SCWRL produces command: ulimit -t 101 ; scwrl3 -i /var/tmp/to_scwrl_1514474307.pdb -s /var/tmp/to_scwrl_1514474307.seq -o /var/tmp/from_scwrl_1514474307.pdb > /var/tmp/scwrl_1514474307.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1514474307.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 T0283 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS2 # request to SCWRL produces command: ulimit -t 101 ; scwrl3 -i /var/tmp/to_scwrl_1647473910.pdb -s /var/tmp/to_scwrl_1647473910.seq -o /var/tmp/from_scwrl_1647473910.pdb > /var/tmp/scwrl_1647473910.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1647473910.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 T0283 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS3 # request to SCWRL produces command: ulimit -t 101 ; scwrl3 -i /var/tmp/to_scwrl_242009460.pdb -s /var/tmp/to_scwrl_242009460.seq -o /var/tmp/from_scwrl_242009460.pdb > /var/tmp/scwrl_242009460.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_242009460.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 T0283 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS4 # request to SCWRL produces command: ulimit -t 101 ; scwrl3 -i /var/tmp/to_scwrl_1755319248.pdb -s /var/tmp/to_scwrl_1755319248.seq -o /var/tmp/from_scwrl_1755319248.pdb > /var/tmp/scwrl_1755319248.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1755319248.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 T0283 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation 3D-JIGSAW_RECOM_TS5 # request to SCWRL produces command: ulimit -t 101 ; scwrl3 -i /var/tmp/to_scwrl_1361703910.pdb -s /var/tmp/to_scwrl_1361703910.seq -o /var/tmp/from_scwrl_1361703910.pdb > /var/tmp/scwrl_1361703910.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1361703910.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 T0283 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation 3D-JIGSAW_TS1 # request to SCWRL produces command: ulimit -t 101 ; scwrl3 -i /var/tmp/to_scwrl_2052092546.pdb -s /var/tmp/to_scwrl_2052092546.seq -o /var/tmp/from_scwrl_2052092546.pdb > /var/tmp/scwrl_2052092546.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2052092546.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 T0283 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_TS2 # request to SCWRL produces command: ulimit -t 101 ; scwrl3 -i /var/tmp/to_scwrl_1732913785.pdb -s /var/tmp/to_scwrl_1732913785.seq -o /var/tmp/from_scwrl_1732913785.pdb > /var/tmp/scwrl_1732913785.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1732913785.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 T0283 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation 3D-JIGSAW_TS3 # request to SCWRL produces command: ulimit -t 101 ; scwrl3 -i /var/tmp/to_scwrl_123444670.pdb -s /var/tmp/to_scwrl_123444670.seq -o /var/tmp/from_scwrl_123444670.pdb > /var/tmp/scwrl_123444670.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_123444670.pdb # conformation set from SCWRL output # naming current conformation 3D-JIGSAW_TS3-scwrl # ReadConformPDB reading from PDB file servers/3D-JIGSAW_TS4.pdb.gz looking for model 1 # Found a chain break before 94 # copying to AlignedFragments data structure # naming current conformation 3D-JIGSAW_TS4 # request to SCWRL produces command: ulimit -t 101 ; scwrl3 -i /var/tmp/to_scwrl_1685188840.pdb -s /var/tmp/to_scwrl_1685188840.seq -o /var/tmp/from_scwrl_1685188840.pdb > /var/tmp/scwrl_1685188840.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1685188840.pdb # conformation set from SCWRL output # naming current conformation 3D-JIGSAW_TS4-scwrl # ReadConformPDB reading from PDB file servers/3Dpro_TS1.pdb.gz looking for model 1 # Found a chain break before 47 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS1 # request to SCWRL produces command: ulimit -t 101 ; scwrl3 -i /var/tmp/to_scwrl_597984149.pdb -s /var/tmp/to_scwrl_597984149.seq -o /var/tmp/from_scwrl_597984149.pdb > /var/tmp/scwrl_597984149.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_597984149.pdb # conformation set from SCWRL output # naming current conformation 3Dpro_TS1-scwrl # ReadConformPDB reading from PDB file servers/3Dpro_TS2.pdb.gz looking for model 1 # Found a chain break before 39 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS2 # request to SCWRL produces command: ulimit -t 101 ; scwrl3 -i /var/tmp/to_scwrl_1264151943.pdb -s /var/tmp/to_scwrl_1264151943.seq -o /var/tmp/from_scwrl_1264151943.pdb > /var/tmp/scwrl_1264151943.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1264151943.pdb # conformation set from SCWRL output # naming current conformation 3Dpro_TS2-scwrl # ReadConformPDB reading from PDB file servers/3Dpro_TS3.pdb.gz looking for model 1 # Found a chain break before 28 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS3 # request to SCWRL produces command: ulimit -t 101 ; scwrl3 -i /var/tmp/to_scwrl_1959495128.pdb -s /var/tmp/to_scwrl_1959495128.seq -o /var/tmp/from_scwrl_1959495128.pdb > /var/tmp/scwrl_1959495128.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1959495128.pdb # conformation set from SCWRL output # naming current conformation 3Dpro_TS3-scwrl # ReadConformPDB reading from PDB file servers/3Dpro_TS4.pdb.gz looking for model 1 # naming current conformation 3Dpro_TS4 # request to SCWRL produces command: ulimit -t 101 ; scwrl3 -i /var/tmp/to_scwrl_305956311.pdb -s /var/tmp/to_scwrl_305956311.seq -o /var/tmp/from_scwrl_305956311.pdb > /var/tmp/scwrl_305956311.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_305956311.pdb # conformation set from SCWRL output # naming current conformation 3Dpro_TS4-scwrl # ReadConformPDB reading from PDB file servers/3Dpro_TS5.pdb.gz looking for model 1 # naming current conformation 3Dpro_TS5 # request to SCWRL produces command: ulimit -t 101 ; scwrl3 -i /var/tmp/to_scwrl_564234663.pdb -s /var/tmp/to_scwrl_564234663.seq -o /var/tmp/from_scwrl_564234663.pdb > /var/tmp/scwrl_564234663.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_564234663.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 106 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS1 # request to SCWRL produces command: ulimit -t 101 ; scwrl3 -i /var/tmp/to_scwrl_1750037409.pdb -s /var/tmp/to_scwrl_1750037409.seq -o /var/tmp/from_scwrl_1750037409.pdb > /var/tmp/scwrl_1750037409.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1750037409.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 106 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS2 # request to SCWRL produces command: ulimit -t 101 ; scwrl3 -i /var/tmp/to_scwrl_284949687.pdb -s /var/tmp/to_scwrl_284949687.seq -o /var/tmp/from_scwrl_284949687.pdb > /var/tmp/scwrl_284949687.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_284949687.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 77 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS3 # request to SCWRL produces command: ulimit -t 101 ; scwrl3 -i /var/tmp/to_scwrl_728639894.pdb -s /var/tmp/to_scwrl_728639894.seq -o /var/tmp/from_scwrl_728639894.pdb > /var/tmp/scwrl_728639894.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_728639894.pdb # conformation set from SCWRL output # naming current conformation ABIpro_TS3-scwrl # ReadConformPDB reading from PDB file servers/ABIpro_TS4.pdb.gz looking for model 1 # Found a chain break before 102 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS4 # request to SCWRL produces command: ulimit -t 101 ; scwrl3 -i /var/tmp/to_scwrl_264234283.pdb -s /var/tmp/to_scwrl_264234283.seq -o /var/tmp/from_scwrl_264234283.pdb > /var/tmp/scwrl_264234283.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_264234283.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 97 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS5 # request to SCWRL produces command: ulimit -t 101 ; scwrl3 -i /var/tmp/to_scwrl_1820243150.pdb -s /var/tmp/to_scwrl_1820243150.seq -o /var/tmp/from_scwrl_1820243150.pdb > /var/tmp/scwrl_1820243150.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1820243150.pdb # conformation set from SCWRL output # naming current conformation ABIpro_TS5-scwrl # ReadConformPDB reading from PDB file servers/BayesHH_TS1.pdb.gz looking for model 1 # Found a chain break before 97 # copying to AlignedFragments data structure # naming current conformation BayesHH_TS1 # request to SCWRL produces command: ulimit -t 101 ; scwrl3 -i /var/tmp/to_scwrl_557446286.pdb -s /var/tmp/to_scwrl_557446286.seq -o /var/tmp/from_scwrl_557446286.pdb > /var/tmp/scwrl_557446286.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_557446286.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 58 # copying to AlignedFragments data structure # naming current conformation Bilab-ENABLE_TS1 # request to SCWRL produces command: ulimit -t 101 ; scwrl3 -i /var/tmp/to_scwrl_681909401.pdb -s /var/tmp/to_scwrl_681909401.seq -o /var/tmp/from_scwrl_681909401.pdb > /var/tmp/scwrl_681909401.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_681909401.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 58 # copying to AlignedFragments data structure # naming current conformation Bilab-ENABLE_TS2 # request to SCWRL produces command: ulimit -t 101 ; scwrl3 -i /var/tmp/to_scwrl_1563528229.pdb -s /var/tmp/to_scwrl_1563528229.seq -o /var/tmp/from_scwrl_1563528229.pdb > /var/tmp/scwrl_1563528229.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1563528229.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 111 # copying to AlignedFragments data structure # naming current conformation Bilab-ENABLE_TS3 # request to SCWRL produces command: ulimit -t 101 ; scwrl3 -i /var/tmp/to_scwrl_1151809991.pdb -s /var/tmp/to_scwrl_1151809991.seq -o /var/tmp/from_scwrl_1151809991.pdb > /var/tmp/scwrl_1151809991.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1151809991.pdb # conformation set from SCWRL output # naming current conformation Bilab-ENABLE_TS3-scwrl # ReadConformPDB reading from PDB file servers/Bilab-ENABLE_TS4.pdb.gz looking for model 1 # Found a chain break before 58 # copying to AlignedFragments data structure # naming current conformation Bilab-ENABLE_TS4 # request to SCWRL produces command: ulimit -t 101 ; scwrl3 -i /var/tmp/to_scwrl_673619418.pdb -s /var/tmp/to_scwrl_673619418.seq -o /var/tmp/from_scwrl_673619418.pdb > /var/tmp/scwrl_673619418.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_673619418.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 # Found a chain break before 69 # copying to AlignedFragments data structure # naming current conformation Bilab-ENABLE_TS5 # request to SCWRL produces command: ulimit -t 101 ; scwrl3 -i /var/tmp/to_scwrl_91111487.pdb -s /var/tmp/to_scwrl_91111487.seq -o /var/tmp/from_scwrl_91111487.pdb > /var/tmp/scwrl_91111487.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_91111487.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 104 # copying to AlignedFragments data structure # naming current conformation CIRCLE_TS1 # request to SCWRL produces command: ulimit -t 101 ; scwrl3 -i /var/tmp/to_scwrl_207971189.pdb -s /var/tmp/to_scwrl_207971189.seq -o /var/tmp/from_scwrl_207971189.pdb > /var/tmp/scwrl_207971189.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_207971189.pdb # conformation set from SCWRL output # naming current conformation CIRCLE_TS1-scwrl # ReadConformPDB reading from PDB file servers/CIRCLE_TS2.pdb.gz looking for model 1 # Found a chain break before 109 # copying to AlignedFragments data structure # naming current conformation CIRCLE_TS2 # request to SCWRL produces command: ulimit -t 101 ; scwrl3 -i /var/tmp/to_scwrl_2008261851.pdb -s /var/tmp/to_scwrl_2008261851.seq -o /var/tmp/from_scwrl_2008261851.pdb > /var/tmp/scwrl_2008261851.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2008261851.pdb # conformation set from SCWRL output # naming current conformation CIRCLE_TS2-scwrl # ReadConformPDB reading from PDB file servers/CIRCLE_TS3.pdb.gz looking for model 1 # Found a chain break before 102 # copying to AlignedFragments data structure # naming current conformation CIRCLE_TS3 # request to SCWRL produces command: ulimit -t 101 ; scwrl3 -i /var/tmp/to_scwrl_1067930584.pdb -s /var/tmp/to_scwrl_1067930584.seq -o /var/tmp/from_scwrl_1067930584.pdb > /var/tmp/scwrl_1067930584.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1067930584.pdb # conformation set from SCWRL output # naming current conformation CIRCLE_TS3-scwrl # ReadConformPDB reading from PDB file servers/CIRCLE_TS4.pdb.gz looking for model 1 # Found a chain break before 102 # copying to AlignedFragments data structure # naming current conformation CIRCLE_TS4 # request to SCWRL produces command: ulimit -t 101 ; scwrl3 -i /var/tmp/to_scwrl_335863490.pdb -s /var/tmp/to_scwrl_335863490.seq -o /var/tmp/from_scwrl_335863490.pdb > /var/tmp/scwrl_335863490.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_335863490.pdb # conformation set from SCWRL output # naming current conformation CIRCLE_TS4-scwrl # ReadConformPDB reading from PDB file servers/CIRCLE_TS5.pdb.gz looking for model 1 # Found a chain break before 105 # copying to AlignedFragments data structure # naming current conformation CIRCLE_TS5 # request to SCWRL produces command: ulimit -t 101 ; scwrl3 -i /var/tmp/to_scwrl_376815040.pdb -s /var/tmp/to_scwrl_376815040.seq -o /var/tmp/from_scwrl_376815040.pdb > /var/tmp/scwrl_376815040.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_376815040.pdb # conformation set from SCWRL output # naming current conformation CIRCLE_TS5-scwrl # ReadConformPDB reading from PDB file servers/CaspIta-FOX_TS1.pdb.gz looking for model 1 # Found a chain break before 97 # copying to AlignedFragments data structure # naming current conformation CaspIta-FOX_TS1 # request to SCWRL produces command: ulimit -t 101 ; scwrl3 -i /var/tmp/to_scwrl_1054184673.pdb -s /var/tmp/to_scwrl_1054184673.seq -o /var/tmp/from_scwrl_1054184673.pdb > /var/tmp/scwrl_1054184673.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1054184673.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 T0283 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 101 ; scwrl3 -i /var/tmp/to_scwrl_1850337798.pdb -s /var/tmp/to_scwrl_1850337798.seq -o /var/tmp/from_scwrl_1850337798.pdb > /var/tmp/scwrl_1850337798.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1850337798.pdb # conformation set from SCWRL output # naming current conformation CaspIta-FOX_TS2-scwrl # ReadConformPDB reading from PDB file servers/CaspIta-FOX_TS3.pdb.gz looking for model 1 # Found a chain break before 81 # copying to AlignedFragments data structure # naming current conformation CaspIta-FOX_TS3 # request to SCWRL produces command: ulimit -t 101 ; scwrl3 -i /var/tmp/to_scwrl_2024288950.pdb -s /var/tmp/to_scwrl_2024288950.seq -o /var/tmp/from_scwrl_2024288950.pdb > /var/tmp/scwrl_2024288950.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2024288950.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 # Found a chain break before 105 # copying to AlignedFragments data structure # naming current conformation CaspIta-FOX_TS4 # request to SCWRL produces command: ulimit -t 101 ; scwrl3 -i /var/tmp/to_scwrl_1296194132.pdb -s /var/tmp/to_scwrl_1296194132.seq -o /var/tmp/from_scwrl_1296194132.pdb > /var/tmp/scwrl_1296194132.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1296194132.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 T0283 can't currently be optimized by undertaker # naming current conformation CaspIta-FOX_TS5 # request to SCWRL produces command: ulimit -t 101 ; scwrl3 -i /var/tmp/to_scwrl_1458173399.pdb -s /var/tmp/to_scwrl_1458173399.seq -o /var/tmp/from_scwrl_1458173399.pdb > /var/tmp/scwrl_1458173399.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1458173399.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 T0283 can't currently be optimized by undertaker # naming current conformation Distill_TS1 # request to SCWRL produces command: ulimit -t 101 ; scwrl3 -i /var/tmp/to_scwrl_1238509213.pdb -s /var/tmp/to_scwrl_1238509213.seq -o /var/tmp/from_scwrl_1238509213.pdb > /var/tmp/scwrl_1238509213.log Error: Couldn't open file /var/tmp/from_scwrl_1238509213.pdb or /var/tmp/from_scwrl_1238509213.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1238509213_b.pdb or decoys//var/tmp/from_scwrl_1238509213_b.pdb.gz for input Trying /var/tmp/from_scwrl_1238509213_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1238509213_b.pdb or /var/tmp/from_scwrl_1238509213_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1238509213_a.pdb or decoys//var/tmp/from_scwrl_1238509213_a.pdb.gz for input Trying /var/tmp/from_scwrl_1238509213_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1238509213_a.pdb or /var/tmp/from_scwrl_1238509213_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1238509213.pdb or /var/tmp/from_scwrl_1238509213_b.pdb or /var/tmp/from_scwrl_1238509213_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 T0283 can't currently be optimized by undertaker # naming current conformation Distill_TS2 # request to SCWRL produces command: ulimit -t 101 ; scwrl3 -i /var/tmp/to_scwrl_1200803032.pdb -s /var/tmp/to_scwrl_1200803032.seq -o /var/tmp/from_scwrl_1200803032.pdb > /var/tmp/scwrl_1200803032.log Error: Couldn't open file /var/tmp/from_scwrl_1200803032.pdb or /var/tmp/from_scwrl_1200803032.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1200803032_b.pdb or decoys//var/tmp/from_scwrl_1200803032_b.pdb.gz for input Trying /var/tmp/from_scwrl_1200803032_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1200803032_b.pdb or /var/tmp/from_scwrl_1200803032_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1200803032_a.pdb or decoys//var/tmp/from_scwrl_1200803032_a.pdb.gz for input Trying /var/tmp/from_scwrl_1200803032_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1200803032_a.pdb or /var/tmp/from_scwrl_1200803032_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1200803032.pdb or /var/tmp/from_scwrl_1200803032_b.pdb or /var/tmp/from_scwrl_1200803032_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 T0283 can't currently be optimized by undertaker # naming current conformation Distill_TS3 # request to SCWRL produces command: ulimit -t 101 ; scwrl3 -i /var/tmp/to_scwrl_1043603538.pdb -s /var/tmp/to_scwrl_1043603538.seq -o /var/tmp/from_scwrl_1043603538.pdb > /var/tmp/scwrl_1043603538.log Error: Couldn't open file /var/tmp/from_scwrl_1043603538.pdb or /var/tmp/from_scwrl_1043603538.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1043603538_b.pdb or decoys//var/tmp/from_scwrl_1043603538_b.pdb.gz for input Trying /var/tmp/from_scwrl_1043603538_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1043603538_b.pdb or /var/tmp/from_scwrl_1043603538_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1043603538_a.pdb or decoys//var/tmp/from_scwrl_1043603538_a.pdb.gz for input Trying /var/tmp/from_scwrl_1043603538_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1043603538_a.pdb or /var/tmp/from_scwrl_1043603538_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1043603538.pdb or /var/tmp/from_scwrl_1043603538_b.pdb or /var/tmp/from_scwrl_1043603538_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 T0283 can't currently be optimized by undertaker # naming current conformation Distill_TS4 # request to SCWRL produces command: ulimit -t 101 ; scwrl3 -i /var/tmp/to_scwrl_1361953883.pdb -s /var/tmp/to_scwrl_1361953883.seq -o /var/tmp/from_scwrl_1361953883.pdb > /var/tmp/scwrl_1361953883.log Error: Couldn't open file /var/tmp/from_scwrl_1361953883.pdb or /var/tmp/from_scwrl_1361953883.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1361953883_b.pdb or decoys//var/tmp/from_scwrl_1361953883_b.pdb.gz for input Trying /var/tmp/from_scwrl_1361953883_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1361953883_b.pdb or /var/tmp/from_scwrl_1361953883_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1361953883_a.pdb or decoys//var/tmp/from_scwrl_1361953883_a.pdb.gz for input Trying /var/tmp/from_scwrl_1361953883_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1361953883_a.pdb or /var/tmp/from_scwrl_1361953883_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1361953883.pdb or /var/tmp/from_scwrl_1361953883_b.pdb or /var/tmp/from_scwrl_1361953883_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 T0283 can't currently be optimized by undertaker # naming current conformation Distill_TS5 # request to SCWRL produces command: ulimit -t 101 ; scwrl3 -i /var/tmp/to_scwrl_738508226.pdb -s /var/tmp/to_scwrl_738508226.seq -o /var/tmp/from_scwrl_738508226.pdb > /var/tmp/scwrl_738508226.log Error: Couldn't open file /var/tmp/from_scwrl_738508226.pdb or /var/tmp/from_scwrl_738508226.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_738508226_b.pdb or decoys//var/tmp/from_scwrl_738508226_b.pdb.gz for input Trying /var/tmp/from_scwrl_738508226_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_738508226_b.pdb or /var/tmp/from_scwrl_738508226_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_738508226_a.pdb or decoys//var/tmp/from_scwrl_738508226_a.pdb.gz for input Trying /var/tmp/from_scwrl_738508226_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_738508226_a.pdb or /var/tmp/from_scwrl_738508226_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_738508226.pdb or /var/tmp/from_scwrl_738508226_b.pdb or /var/tmp/from_scwrl_738508226_a.pdb Error: no new SCWRL conformation added # naming current conformation Distill_TS5-scwrl # ReadConformPDB reading from PDB file servers/FAMSD_TS1.pdb.gz looking for model 1 # Found a chain break before 111 # copying to AlignedFragments data structure # naming current conformation FAMSD_TS1 # request to SCWRL produces command: ulimit -t 101 ; scwrl3 -i /var/tmp/to_scwrl_1641587687.pdb -s /var/tmp/to_scwrl_1641587687.seq -o /var/tmp/from_scwrl_1641587687.pdb > /var/tmp/scwrl_1641587687.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1641587687.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 # Found a chain break before 106 # copying to AlignedFragments data structure # naming current conformation FAMSD_TS2 # request to SCWRL produces command: ulimit -t 101 ; scwrl3 -i /var/tmp/to_scwrl_478622180.pdb -s /var/tmp/to_scwrl_478622180.seq -o /var/tmp/from_scwrl_478622180.pdb > /var/tmp/scwrl_478622180.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_478622180.pdb # conformation set from SCWRL output # naming current conformation FAMSD_TS2-scwrl # ReadConformPDB reading from PDB file servers/FAMSD_TS3.pdb.gz looking for model 1 # Found a chain break before 104 # copying to AlignedFragments data structure # naming current conformation FAMSD_TS3 # request to SCWRL produces command: ulimit -t 101 ; scwrl3 -i /var/tmp/to_scwrl_550519707.pdb -s /var/tmp/to_scwrl_550519707.seq -o /var/tmp/from_scwrl_550519707.pdb > /var/tmp/scwrl_550519707.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_550519707.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 # Found a chain break before 110 # copying to AlignedFragments data structure # naming current conformation FAMSD_TS4 # request to SCWRL produces command: ulimit -t 101 ; scwrl3 -i /var/tmp/to_scwrl_1947543998.pdb -s /var/tmp/to_scwrl_1947543998.seq -o /var/tmp/from_scwrl_1947543998.pdb > /var/tmp/scwrl_1947543998.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1947543998.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 T0283 can't currently be optimized by undertaker # naming current conformation FAMSD_TS5 # request to SCWRL produces command: ulimit -t 101 ; scwrl3 -i /var/tmp/to_scwrl_1042856843.pdb -s /var/tmp/to_scwrl_1042856843.seq -o /var/tmp/from_scwrl_1042856843.pdb > /var/tmp/scwrl_1042856843.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1042856843.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 109 # copying to AlignedFragments data structure # naming current conformation FAMS_TS1 # request to SCWRL produces command: ulimit -t 101 ; scwrl3 -i /var/tmp/to_scwrl_153073469.pdb -s /var/tmp/to_scwrl_153073469.seq -o /var/tmp/from_scwrl_153073469.pdb > /var/tmp/scwrl_153073469.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_153073469.pdb # conformation set from SCWRL output # naming current conformation FAMS_TS1-scwrl # ReadConformPDB reading from PDB file servers/FAMS_TS2.pdb.gz looking for model 1 # Found a chain break before 104 # copying to AlignedFragments data structure # naming current conformation FAMS_TS2 # request to SCWRL produces command: ulimit -t 101 ; scwrl3 -i /var/tmp/to_scwrl_85010038.pdb -s /var/tmp/to_scwrl_85010038.seq -o /var/tmp/from_scwrl_85010038.pdb > /var/tmp/scwrl_85010038.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_85010038.pdb # conformation set from SCWRL output # naming current conformation FAMS_TS2-scwrl # ReadConformPDB reading from PDB file servers/FAMS_TS3.pdb.gz looking for model 1 # Found a chain break before 102 # copying to AlignedFragments data structure # naming current conformation FAMS_TS3 # request to SCWRL produces command: ulimit -t 101 ; scwrl3 -i /var/tmp/to_scwrl_1771496737.pdb -s /var/tmp/to_scwrl_1771496737.seq -o /var/tmp/from_scwrl_1771496737.pdb > /var/tmp/scwrl_1771496737.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1771496737.pdb # conformation set from SCWRL output # naming current conformation FAMS_TS3-scwrl # ReadConformPDB reading from PDB file servers/FAMS_TS4.pdb.gz looking for model 1 # Found a chain break before 105 # copying to AlignedFragments data structure # naming current conformation FAMS_TS4 # request to SCWRL produces command: ulimit -t 101 ; scwrl3 -i /var/tmp/to_scwrl_417307752.pdb -s /var/tmp/to_scwrl_417307752.seq -o /var/tmp/from_scwrl_417307752.pdb > /var/tmp/scwrl_417307752.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_417307752.pdb # conformation set from SCWRL output # naming current conformation FAMS_TS4-scwrl # ReadConformPDB reading from PDB file servers/FAMS_TS5.pdb.gz looking for model 1 # Found a chain break before 102 # copying to AlignedFragments data structure # naming current conformation FAMS_TS5 # request to SCWRL produces command: ulimit -t 101 ; scwrl3 -i /var/tmp/to_scwrl_1905253189.pdb -s /var/tmp/to_scwrl_1905253189.seq -o /var/tmp/from_scwrl_1905253189.pdb > /var/tmp/scwrl_1905253189.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1905253189.pdb # conformation set from SCWRL output # naming current conformation FAMS_TS5-scwrl # ReadConformPDB reading from PDB file servers/FOLDpro_TS1.pdb.gz looking for model 1 # Found a chain break before 47 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS1 # request to SCWRL produces command: ulimit -t 101 ; scwrl3 -i /var/tmp/to_scwrl_181459376.pdb -s /var/tmp/to_scwrl_181459376.seq -o /var/tmp/from_scwrl_181459376.pdb > /var/tmp/scwrl_181459376.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_181459376.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 # Found a chain break before 87 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS2 # request to SCWRL produces command: ulimit -t 101 ; scwrl3 -i /var/tmp/to_scwrl_1099217152.pdb -s /var/tmp/to_scwrl_1099217152.seq -o /var/tmp/from_scwrl_1099217152.pdb > /var/tmp/scwrl_1099217152.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1099217152.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 39 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS3 # request to SCWRL produces command: ulimit -t 101 ; scwrl3 -i /var/tmp/to_scwrl_1321297771.pdb -s /var/tmp/to_scwrl_1321297771.seq -o /var/tmp/from_scwrl_1321297771.pdb > /var/tmp/scwrl_1321297771.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1321297771.pdb # conformation set from SCWRL output # naming current conformation FOLDpro_TS3-scwrl # ReadConformPDB reading from PDB file servers/FOLDpro_TS4.pdb.gz looking for model 1 # naming current conformation FOLDpro_TS4 # request to SCWRL produces command: ulimit -t 101 ; scwrl3 -i /var/tmp/to_scwrl_1333269367.pdb -s /var/tmp/to_scwrl_1333269367.seq -o /var/tmp/from_scwrl_1333269367.pdb > /var/tmp/scwrl_1333269367.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1333269367.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 101 ; scwrl3 -i /var/tmp/to_scwrl_1772836570.pdb -s /var/tmp/to_scwrl_1772836570.seq -o /var/tmp/from_scwrl_1772836570.pdb > /var/tmp/scwrl_1772836570.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1772836570.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 T0283 can't currently be optimized by undertaker # naming current conformation FORTE1_AL1 # request to SCWRL produces command: ulimit -t 101 ; scwrl3 -i /var/tmp/to_scwrl_1412409258.pdb -s /var/tmp/to_scwrl_1412409258.seq -o /var/tmp/from_scwrl_1412409258.pdb > /var/tmp/scwrl_1412409258.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1412409258.pdb # conformation set from SCWRL output # naming current conformation FORTE1_AL1-scwrl # ReadConformPDB reading from PDB file servers/FORTE1_AL2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0283 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FORTE1_AL2 # request to SCWRL produces command: ulimit -t 101 ; scwrl3 -i /var/tmp/to_scwrl_1541240556.pdb -s /var/tmp/to_scwrl_1541240556.seq -o /var/tmp/from_scwrl_1541240556.pdb > /var/tmp/scwrl_1541240556.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1541240556.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 T0283 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FORTE1_AL3 # request to SCWRL produces command: ulimit -t 101 ; scwrl3 -i /var/tmp/to_scwrl_1633614774.pdb -s /var/tmp/to_scwrl_1633614774.seq -o /var/tmp/from_scwrl_1633614774.pdb > /var/tmp/scwrl_1633614774.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1633614774.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 T0283 can't currently be optimized by undertaker # naming current conformation FORTE1_AL4 # request to SCWRL produces command: ulimit -t 101 ; scwrl3 -i /var/tmp/to_scwrl_332856196.pdb -s /var/tmp/to_scwrl_332856196.seq -o /var/tmp/from_scwrl_332856196.pdb > /var/tmp/scwrl_332856196.log Error: Couldn't open file /var/tmp/from_scwrl_332856196.pdb or /var/tmp/from_scwrl_332856196.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_332856196_b.pdb or decoys//var/tmp/from_scwrl_332856196_b.pdb.gz for input Trying /var/tmp/from_scwrl_332856196_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_332856196_b.pdb or /var/tmp/from_scwrl_332856196_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_332856196_a.pdb or decoys//var/tmp/from_scwrl_332856196_a.pdb.gz for input Trying /var/tmp/from_scwrl_332856196_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_332856196_a.pdb or /var/tmp/from_scwrl_332856196_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_332856196.pdb or /var/tmp/from_scwrl_332856196_b.pdb or /var/tmp/from_scwrl_332856196_a.pdb Error: no new SCWRL conformation added # naming current conformation FORTE1_AL4-scwrl # ReadConformPDB reading from PDB file servers/FORTE1_AL5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0283 can't currently be optimized by undertaker # naming current conformation FORTE1_AL5 # request to SCWRL produces command: ulimit -t 101 ; scwrl3 -i /var/tmp/to_scwrl_1877104047.pdb -s /var/tmp/to_scwrl_1877104047.seq -o /var/tmp/from_scwrl_1877104047.pdb > /var/tmp/scwrl_1877104047.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1877104047.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 T0283 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FORTE2_AL1 # request to SCWRL produces command: ulimit -t 101 ; scwrl3 -i /var/tmp/to_scwrl_2010429815.pdb -s /var/tmp/to_scwrl_2010429815.seq -o /var/tmp/from_scwrl_2010429815.pdb > /var/tmp/scwrl_2010429815.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2010429815.pdb # conformation set from SCWRL output # naming current conformation FORTE2_AL1-scwrl # ReadConformPDB reading from PDB file servers/FORTE2_AL2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0283 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FORTE2_AL2 # request to SCWRL produces command: ulimit -t 101 ; scwrl3 -i /var/tmp/to_scwrl_1387040868.pdb -s /var/tmp/to_scwrl_1387040868.seq -o /var/tmp/from_scwrl_1387040868.pdb > /var/tmp/scwrl_1387040868.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1387040868.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 T0283 can't currently be optimized by undertaker # naming current conformation FORTE2_AL3 # request to SCWRL produces command: ulimit -t 101 ; scwrl3 -i /var/tmp/to_scwrl_1579958198.pdb -s /var/tmp/to_scwrl_1579958198.seq -o /var/tmp/from_scwrl_1579958198.pdb > /var/tmp/scwrl_1579958198.log Error: Couldn't open file /var/tmp/from_scwrl_1579958198.pdb or /var/tmp/from_scwrl_1579958198.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1579958198_b.pdb or decoys//var/tmp/from_scwrl_1579958198_b.pdb.gz for input Trying /var/tmp/from_scwrl_1579958198_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1579958198_b.pdb or /var/tmp/from_scwrl_1579958198_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1579958198_a.pdb or decoys//var/tmp/from_scwrl_1579958198_a.pdb.gz for input Trying /var/tmp/from_scwrl_1579958198_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1579958198_a.pdb or /var/tmp/from_scwrl_1579958198_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1579958198.pdb or /var/tmp/from_scwrl_1579958198_b.pdb or /var/tmp/from_scwrl_1579958198_a.pdb Error: no new SCWRL conformation added # naming current conformation FORTE2_AL3-scwrl # ReadConformPDB reading from PDB file servers/FORTE2_AL4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0283 can't currently be optimized by undertaker # naming current conformation FORTE2_AL4 # request to SCWRL produces command: ulimit -t 101 ; scwrl3 -i /var/tmp/to_scwrl_1887235118.pdb -s /var/tmp/to_scwrl_1887235118.seq -o /var/tmp/from_scwrl_1887235118.pdb > /var/tmp/scwrl_1887235118.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1887235118.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 T0283 can't currently be optimized by undertaker # naming current conformation FORTE2_AL5 # request to SCWRL produces command: ulimit -t 101 ; scwrl3 -i /var/tmp/to_scwrl_535751354.pdb -s /var/tmp/to_scwrl_535751354.seq -o /var/tmp/from_scwrl_535751354.pdb > /var/tmp/scwrl_535751354.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_535751354.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 # WARNING: incomplete conformation T0283 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS1 # request to SCWRL produces command: ulimit -t 101 ; scwrl3 -i /var/tmp/to_scwrl_890647951.pdb -s /var/tmp/to_scwrl_890647951.seq -o /var/tmp/from_scwrl_890647951.pdb > /var/tmp/scwrl_890647951.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_890647951.pdb # conformation set from SCWRL output # naming current conformation FPSOLVER-SERVER_TS1-scwrl # ReadConformPDB reading from PDB file servers/FUGMOD_TS1.pdb.gz looking for model 1 # Found a chain break before 89 # copying to AlignedFragments data structure # naming current conformation FUGMOD_TS1 # request to SCWRL produces command: ulimit -t 101 ; scwrl3 -i /var/tmp/to_scwrl_978260686.pdb -s /var/tmp/to_scwrl_978260686.seq -o /var/tmp/from_scwrl_978260686.pdb > /var/tmp/scwrl_978260686.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_978260686.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 T0283 can't currently be optimized by undertaker # naming current conformation FUGMOD_TS2 # request to SCWRL produces command: ulimit -t 101 ; scwrl3 -i /var/tmp/to_scwrl_1736554386.pdb -s /var/tmp/to_scwrl_1736554386.seq -o /var/tmp/from_scwrl_1736554386.pdb > /var/tmp/scwrl_1736554386.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1736554386.pdb # conformation set from SCWRL output # naming current conformation FUGMOD_TS2-scwrl # ReadConformPDB reading from PDB file servers/FUGMOD_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0283 can't currently be optimized by undertaker # naming current conformation FUGMOD_TS3 # request to SCWRL produces command: ulimit -t 101 ; scwrl3 -i /var/tmp/to_scwrl_1934251489.pdb -s /var/tmp/to_scwrl_1934251489.seq -o /var/tmp/from_scwrl_1934251489.pdb > /var/tmp/scwrl_1934251489.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1934251489.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 # naming current conformation FUGMOD_TS4 # request to SCWRL produces command: ulimit -t 101 ; scwrl3 -i /var/tmp/to_scwrl_192730922.pdb -s /var/tmp/to_scwrl_192730922.seq -o /var/tmp/from_scwrl_192730922.pdb > /var/tmp/scwrl_192730922.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_192730922.pdb # conformation set from SCWRL output # naming current conformation FUGMOD_TS4-scwrl # ReadConformPDB reading from PDB file servers/FUGMOD_TS5.pdb.gz looking for model 1 # Found a chain break before 59 # copying to AlignedFragments data structure # naming current conformation FUGMOD_TS5 # request to SCWRL produces command: ulimit -t 101 ; scwrl3 -i /var/tmp/to_scwrl_327578965.pdb -s /var/tmp/to_scwrl_327578965.seq -o /var/tmp/from_scwrl_327578965.pdb > /var/tmp/scwrl_327578965.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_327578965.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 T0283 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FUGUE_AL1 # request to SCWRL produces command: ulimit -t 101 ; scwrl3 -i /var/tmp/to_scwrl_1428355529.pdb -s /var/tmp/to_scwrl_1428355529.seq -o /var/tmp/from_scwrl_1428355529.pdb > /var/tmp/scwrl_1428355529.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1428355529.pdb # conformation set from SCWRL output # naming current conformation FUGUE_AL1-scwrl # ReadConformPDB reading from PDB file servers/FUGUE_AL2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0283 can't currently be optimized by undertaker # naming current conformation FUGUE_AL2 # request to SCWRL produces command: ulimit -t 101 ; scwrl3 -i /var/tmp/to_scwrl_671353103.pdb -s /var/tmp/to_scwrl_671353103.seq -o /var/tmp/from_scwrl_671353103.pdb > /var/tmp/scwrl_671353103.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_671353103.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 T0283 can't currently be optimized by undertaker # naming current conformation FUGUE_AL3 # request to SCWRL produces command: ulimit -t 101 ; scwrl3 -i /var/tmp/to_scwrl_878098673.pdb -s /var/tmp/to_scwrl_878098673.seq -o /var/tmp/from_scwrl_878098673.pdb > /var/tmp/scwrl_878098673.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_878098673.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 T0283 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FUGUE_AL4 # request to SCWRL produces command: ulimit -t 101 ; scwrl3 -i /var/tmp/to_scwrl_1228415880.pdb -s /var/tmp/to_scwrl_1228415880.seq -o /var/tmp/from_scwrl_1228415880.pdb > /var/tmp/scwrl_1228415880.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1228415880.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 T0283 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FUGUE_AL5 # request to SCWRL produces command: ulimit -t 101 ; scwrl3 -i /var/tmp/to_scwrl_1714209945.pdb -s /var/tmp/to_scwrl_1714209945.seq -o /var/tmp/from_scwrl_1714209945.pdb > /var/tmp/scwrl_1714209945.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1714209945.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 106 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS1 # request to SCWRL produces command: ulimit -t 101 ; scwrl3 -i /var/tmp/to_scwrl_1031172142.pdb -s /var/tmp/to_scwrl_1031172142.seq -o /var/tmp/from_scwrl_1031172142.pdb > /var/tmp/scwrl_1031172142.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1031172142.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 100 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS2 # request to SCWRL produces command: ulimit -t 101 ; scwrl3 -i /var/tmp/to_scwrl_1313425919.pdb -s /var/tmp/to_scwrl_1313425919.seq -o /var/tmp/from_scwrl_1313425919.pdb > /var/tmp/scwrl_1313425919.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1313425919.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 101 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS3 # request to SCWRL produces command: ulimit -t 101 ; scwrl3 -i /var/tmp/to_scwrl_1338223035.pdb -s /var/tmp/to_scwrl_1338223035.seq -o /var/tmp/from_scwrl_1338223035.pdb > /var/tmp/scwrl_1338223035.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1338223035.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 111 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS4 # request to SCWRL produces command: ulimit -t 101 ; scwrl3 -i /var/tmp/to_scwrl_1448479894.pdb -s /var/tmp/to_scwrl_1448479894.seq -o /var/tmp/from_scwrl_1448479894.pdb > /var/tmp/scwrl_1448479894.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1448479894.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 106 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS5 # request to SCWRL produces command: ulimit -t 101 ; scwrl3 -i /var/tmp/to_scwrl_1071195462.pdb -s /var/tmp/to_scwrl_1071195462.seq -o /var/tmp/from_scwrl_1071195462.pdb > /var/tmp/scwrl_1071195462.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1071195462.pdb # conformation set from SCWRL output # naming current conformation FUNCTION_TS5-scwrl # ReadConformPDB reading from PDB file servers/HHpred1_TS1.pdb.gz looking for model 1 # naming current conformation HHpred1_TS1 # request to SCWRL produces command: ulimit -t 101 ; scwrl3 -i /var/tmp/to_scwrl_1519682412.pdb -s /var/tmp/to_scwrl_1519682412.seq -o /var/tmp/from_scwrl_1519682412.pdb > /var/tmp/scwrl_1519682412.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1519682412.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 93 # copying to AlignedFragments data structure # naming current conformation HHpred2_TS1 # request to SCWRL produces command: ulimit -t 101 ; scwrl3 -i /var/tmp/to_scwrl_400213400.pdb -s /var/tmp/to_scwrl_400213400.seq -o /var/tmp/from_scwrl_400213400.pdb > /var/tmp/scwrl_400213400.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_400213400.pdb # conformation set from SCWRL output # naming current conformation HHpred2_TS1-scwrl # ReadConformPDB reading from PDB file servers/HHpred3_TS1.pdb.gz looking for model 1 # naming current conformation HHpred3_TS1 # request to SCWRL produces command: ulimit -t 101 ; scwrl3 -i /var/tmp/to_scwrl_245009586.pdb -s /var/tmp/to_scwrl_245009586.seq -o /var/tmp/from_scwrl_245009586.pdb > /var/tmp/scwrl_245009586.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_245009586.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 T0283 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS1 # request to SCWRL produces command: ulimit -t 101 ; scwrl3 -i /var/tmp/to_scwrl_705468133.pdb -s /var/tmp/to_scwrl_705468133.seq -o /var/tmp/from_scwrl_705468133.pdb > /var/tmp/scwrl_705468133.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_705468133.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 T0283 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS2 # request to SCWRL produces command: ulimit -t 101 ; scwrl3 -i /var/tmp/to_scwrl_25566324.pdb -s /var/tmp/to_scwrl_25566324.seq -o /var/tmp/from_scwrl_25566324.pdb > /var/tmp/scwrl_25566324.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_25566324.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 T0283 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS3 # request to SCWRL produces command: ulimit -t 101 ; scwrl3 -i /var/tmp/to_scwrl_1657418845.pdb -s /var/tmp/to_scwrl_1657418845.seq -o /var/tmp/from_scwrl_1657418845.pdb > /var/tmp/scwrl_1657418845.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1657418845.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 T0283 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS4 # request to SCWRL produces command: ulimit -t 101 ; scwrl3 -i /var/tmp/to_scwrl_99225043.pdb -s /var/tmp/to_scwrl_99225043.seq -o /var/tmp/from_scwrl_99225043.pdb > /var/tmp/scwrl_99225043.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_99225043.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 T0283 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS5 # request to SCWRL produces command: ulimit -t 101 ; scwrl3 -i /var/tmp/to_scwrl_1659181098.pdb -s /var/tmp/to_scwrl_1659181098.seq -o /var/tmp/from_scwrl_1659181098.pdb > /var/tmp/scwrl_1659181098.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1659181098.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 T0283 can't currently be optimized by undertaker # naming current conformation LOOPP_TS1 # request to SCWRL produces command: ulimit -t 101 ; scwrl3 -i /var/tmp/to_scwrl_1990275041.pdb -s /var/tmp/to_scwrl_1990275041.seq -o /var/tmp/from_scwrl_1990275041.pdb > /var/tmp/scwrl_1990275041.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1990275041.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 T0283 can't currently be optimized by undertaker # naming current conformation LOOPP_TS2 # request to SCWRL produces command: ulimit -t 101 ; scwrl3 -i /var/tmp/to_scwrl_1976329090.pdb -s /var/tmp/to_scwrl_1976329090.seq -o /var/tmp/from_scwrl_1976329090.pdb > /var/tmp/scwrl_1976329090.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1976329090.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 T0283 can't currently be optimized by undertaker # naming current conformation LOOPP_TS3 # request to SCWRL produces command: ulimit -t 101 ; scwrl3 -i /var/tmp/to_scwrl_1522127266.pdb -s /var/tmp/to_scwrl_1522127266.seq -o /var/tmp/from_scwrl_1522127266.pdb > /var/tmp/scwrl_1522127266.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1522127266.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 T0283 can't currently be optimized by undertaker # naming current conformation LOOPP_TS4 # request to SCWRL produces command: ulimit -t 101 ; scwrl3 -i /var/tmp/to_scwrl_1229832262.pdb -s /var/tmp/to_scwrl_1229832262.seq -o /var/tmp/from_scwrl_1229832262.pdb > /var/tmp/scwrl_1229832262.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1229832262.pdb # conformation set from SCWRL output # naming current conformation LOOPP_TS4-scwrl # ReadConformPDB reading from PDB file servers/LOOPP_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0283 can't currently be optimized by undertaker # naming current conformation LOOPP_TS5 # request to SCWRL produces command: ulimit -t 101 ; scwrl3 -i /var/tmp/to_scwrl_1408803641.pdb -s /var/tmp/to_scwrl_1408803641.seq -o /var/tmp/from_scwrl_1408803641.pdb > /var/tmp/scwrl_1408803641.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1408803641.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 Error: Reading chain from PDB file servers/MIG_FROST_AL1.pdb.gz failed. # naming current conformation MIG_FROST_AL1 # request to SCWRL produces command: ulimit -t 101 ; scwrl3 -i /var/tmp/to_scwrl_1261878738.pdb -s /var/tmp/to_scwrl_1261878738.seq -o /var/tmp/from_scwrl_1261878738.pdb > /var/tmp/scwrl_1261878738.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1261878738.pdb # conformation set from SCWRL output # naming current conformation MIG_FROST_AL1-scwrl # ReadConformPDB reading from PDB file servers/Ma-OPUS-server_TS1.pdb.gz looking for model 1 # naming current conformation Ma-OPUS-server_TS1 # request to SCWRL produces command: ulimit -t 101 ; scwrl3 -i /var/tmp/to_scwrl_1765583616.pdb -s /var/tmp/to_scwrl_1765583616.seq -o /var/tmp/from_scwrl_1765583616.pdb > /var/tmp/scwrl_1765583616.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1765583616.pdb # conformation set from SCWRL output # naming current conformation Ma-OPUS-server_TS1-scwrl # ReadConformPDB reading from PDB file servers/Ma-OPUS-server_TS2.pdb.gz looking for model 1 # naming current conformation Ma-OPUS-server_TS2 # request to SCWRL produces command: ulimit -t 101 ; scwrl3 -i /var/tmp/to_scwrl_151967945.pdb -s /var/tmp/to_scwrl_151967945.seq -o /var/tmp/from_scwrl_151967945.pdb > /var/tmp/scwrl_151967945.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_151967945.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 105 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS3 # request to SCWRL produces command: ulimit -t 101 ; scwrl3 -i /var/tmp/to_scwrl_92655777.pdb -s /var/tmp/to_scwrl_92655777.seq -o /var/tmp/from_scwrl_92655777.pdb > /var/tmp/scwrl_92655777.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_92655777.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 101 ; scwrl3 -i /var/tmp/to_scwrl_1354654356.pdb -s /var/tmp/to_scwrl_1354654356.seq -o /var/tmp/from_scwrl_1354654356.pdb > /var/tmp/scwrl_1354654356.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1354654356.pdb # conformation set from SCWRL output # naming current conformation Ma-OPUS-server_TS4-scwrl # ReadConformPDB reading from PDB file servers/Ma-OPUS-server_TS5.pdb.gz looking for model 1 # Found a chain break before 42 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS5 # request to SCWRL produces command: ulimit -t 101 ; scwrl3 -i /var/tmp/to_scwrl_2086219434.pdb -s /var/tmp/to_scwrl_2086219434.seq -o /var/tmp/from_scwrl_2086219434.pdb > /var/tmp/scwrl_2086219434.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2086219434.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 81 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS1 # request to SCWRL produces command: ulimit -t 101 ; scwrl3 -i /var/tmp/to_scwrl_285386699.pdb -s /var/tmp/to_scwrl_285386699.seq -o /var/tmp/from_scwrl_285386699.pdb > /var/tmp/scwrl_285386699.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_285386699.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 81 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS2 # request to SCWRL produces command: ulimit -t 101 ; scwrl3 -i /var/tmp/to_scwrl_1682233321.pdb -s /var/tmp/to_scwrl_1682233321.seq -o /var/tmp/from_scwrl_1682233321.pdb > /var/tmp/scwrl_1682233321.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1682233321.pdb # conformation set from SCWRL output # naming current conformation MetaTasser_TS2-scwrl # ReadConformPDB reading from PDB file servers/MetaTasser_TS3.pdb.gz looking for model 1 # Found a chain break before 91 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS3 # request to SCWRL produces command: ulimit -t 101 ; scwrl3 -i /var/tmp/to_scwrl_1367091316.pdb -s /var/tmp/to_scwrl_1367091316.seq -o /var/tmp/from_scwrl_1367091316.pdb > /var/tmp/scwrl_1367091316.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1367091316.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 82 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS4 # request to SCWRL produces command: ulimit -t 101 ; scwrl3 -i /var/tmp/to_scwrl_956739802.pdb -s /var/tmp/to_scwrl_956739802.seq -o /var/tmp/from_scwrl_956739802.pdb > /var/tmp/scwrl_956739802.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_956739802.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 68 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS5 # request to SCWRL produces command: ulimit -t 101 ; scwrl3 -i /var/tmp/to_scwrl_412848347.pdb -s /var/tmp/to_scwrl_412848347.seq -o /var/tmp/from_scwrl_412848347.pdb > /var/tmp/scwrl_412848347.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_412848347.pdb # conformation set from SCWRL output # naming current conformation MetaTasser_TS5-scwrl # ReadConformPDB reading from PDB file servers/POMYSL_TS1.pdb.gz looking for model 1 # Found a chain break before 100 # copying to AlignedFragments data structure # naming current conformation POMYSL_TS1 # request to SCWRL produces command: ulimit -t 101 ; scwrl3 -i /var/tmp/to_scwrl_448023551.pdb -s /var/tmp/to_scwrl_448023551.seq -o /var/tmp/from_scwrl_448023551.pdb > /var/tmp/scwrl_448023551.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_448023551.pdb # conformation set from SCWRL output # naming current conformation POMYSL_TS1-scwrl # ReadConformPDB reading from PDB file servers/POMYSL_TS2.pdb.gz looking for model 1 # Found a chain break before 103 # copying to AlignedFragments data structure # naming current conformation POMYSL_TS2 # request to SCWRL produces command: ulimit -t 101 ; scwrl3 -i /var/tmp/to_scwrl_523466101.pdb -s /var/tmp/to_scwrl_523466101.seq -o /var/tmp/from_scwrl_523466101.pdb > /var/tmp/scwrl_523466101.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_523466101.pdb # conformation set from SCWRL output # naming current conformation POMYSL_TS2-scwrl # ReadConformPDB reading from PDB file servers/POMYSL_TS3.pdb.gz looking for model 1 # Found a chain break before 87 # copying to AlignedFragments data structure # naming current conformation POMYSL_TS3 # request to SCWRL produces command: ulimit -t 101 ; scwrl3 -i /var/tmp/to_scwrl_1444020489.pdb -s /var/tmp/to_scwrl_1444020489.seq -o /var/tmp/from_scwrl_1444020489.pdb > /var/tmp/scwrl_1444020489.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1444020489.pdb # conformation set from SCWRL output # naming current conformation POMYSL_TS3-scwrl # ReadConformPDB reading from PDB file servers/POMYSL_TS4.pdb.gz looking for model 1 # Found a chain break before 101 # copying to AlignedFragments data structure # naming current conformation POMYSL_TS4 # request to SCWRL produces command: ulimit -t 101 ; scwrl3 -i /var/tmp/to_scwrl_1761449470.pdb -s /var/tmp/to_scwrl_1761449470.seq -o /var/tmp/from_scwrl_1761449470.pdb > /var/tmp/scwrl_1761449470.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1761449470.pdb # conformation set from SCWRL output # naming current conformation POMYSL_TS4-scwrl # ReadConformPDB reading from PDB file servers/POMYSL_TS5.pdb.gz looking for model 1 # Found a chain break before 66 # copying to AlignedFragments data structure # naming current conformation POMYSL_TS5 # request to SCWRL produces command: ulimit -t 101 ; scwrl3 -i /var/tmp/to_scwrl_1861689136.pdb -s /var/tmp/to_scwrl_1861689136.seq -o /var/tmp/from_scwrl_1861689136.pdb > /var/tmp/scwrl_1861689136.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1861689136.pdb # conformation set from SCWRL output # naming current conformation POMYSL_TS5-scwrl # ReadConformPDB reading from PDB file servers/PROTINFO-AB_TS1.pdb.gz looking for model 1 # naming current conformation PROTINFO-AB_TS1 # request to SCWRL produces command: ulimit -t 101 ; scwrl3 -i /var/tmp/to_scwrl_745016737.pdb -s /var/tmp/to_scwrl_745016737.seq -o /var/tmp/from_scwrl_745016737.pdb > /var/tmp/scwrl_745016737.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_745016737.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 101 ; scwrl3 -i /var/tmp/to_scwrl_685161285.pdb -s /var/tmp/to_scwrl_685161285.seq -o /var/tmp/from_scwrl_685161285.pdb > /var/tmp/scwrl_685161285.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_685161285.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 101 ; scwrl3 -i /var/tmp/to_scwrl_1233887901.pdb -s /var/tmp/to_scwrl_1233887901.seq -o /var/tmp/from_scwrl_1233887901.pdb > /var/tmp/scwrl_1233887901.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1233887901.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 101 ; scwrl3 -i /var/tmp/to_scwrl_1145230136.pdb -s /var/tmp/to_scwrl_1145230136.seq -o /var/tmp/from_scwrl_1145230136.pdb > /var/tmp/scwrl_1145230136.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1145230136.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 # WARNING: incomplete conformation T0283 can't currently be optimized by undertaker # naming current conformation PROTINFO-AB_TS5 # request to SCWRL produces command: ulimit -t 101 ; scwrl3 -i /var/tmp/to_scwrl_930170871.pdb -s /var/tmp/to_scwrl_930170871.seq -o /var/tmp/from_scwrl_930170871.pdb > /var/tmp/scwrl_930170871.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_930170871.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 # WARNING: incomplete conformation T0283 can't currently be optimized by undertaker # naming current conformation PROTINFO_TS1 # request to SCWRL produces command: ulimit -t 101 ; scwrl3 -i /var/tmp/to_scwrl_1939356035.pdb -s /var/tmp/to_scwrl_1939356035.seq -o /var/tmp/from_scwrl_1939356035.pdb > /var/tmp/scwrl_1939356035.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1939356035.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 # WARNING: incomplete conformation T0283 can't currently be optimized by undertaker # naming current conformation PROTINFO_TS2 # request to SCWRL produces command: ulimit -t 101 ; scwrl3 -i /var/tmp/to_scwrl_1170796460.pdb -s /var/tmp/to_scwrl_1170796460.seq -o /var/tmp/from_scwrl_1170796460.pdb > /var/tmp/scwrl_1170796460.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1170796460.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 27 # copying to AlignedFragments data structure # naming current conformation PROTINFO_TS3 # request to SCWRL produces command: ulimit -t 101 ; scwrl3 -i /var/tmp/to_scwrl_440106069.pdb -s /var/tmp/to_scwrl_440106069.seq -o /var/tmp/from_scwrl_440106069.pdb > /var/tmp/scwrl_440106069.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_440106069.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 # WARNING: incomplete conformation T0283 can't currently be optimized by undertaker # naming current conformation PROTINFO_TS4 # request to SCWRL produces command: ulimit -t 101 ; scwrl3 -i /var/tmp/to_scwrl_2038581078.pdb -s /var/tmp/to_scwrl_2038581078.seq -o /var/tmp/from_scwrl_2038581078.pdb > /var/tmp/scwrl_2038581078.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2038581078.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 # WARNING: incomplete conformation T0283 can't currently be optimized by undertaker # naming current conformation PROTINFO_TS5 # request to SCWRL produces command: ulimit -t 101 ; scwrl3 -i /var/tmp/to_scwrl_682493913.pdb -s /var/tmp/to_scwrl_682493913.seq -o /var/tmp/from_scwrl_682493913.pdb > /var/tmp/scwrl_682493913.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_682493913.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 T0283 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation Pcons6_TS1 # request to SCWRL produces command: ulimit -t 101 ; scwrl3 -i /var/tmp/to_scwrl_282897463.pdb -s /var/tmp/to_scwrl_282897463.seq -o /var/tmp/from_scwrl_282897463.pdb > /var/tmp/scwrl_282897463.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_282897463.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 T0283 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation Pcons6_TS2 # request to SCWRL produces command: ulimit -t 101 ; scwrl3 -i /var/tmp/to_scwrl_1867426521.pdb -s /var/tmp/to_scwrl_1867426521.seq -o /var/tmp/from_scwrl_1867426521.pdb > /var/tmp/scwrl_1867426521.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1867426521.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 T0283 can't currently be optimized by undertaker # naming current conformation Pcons6_TS3 # request to SCWRL produces command: ulimit -t 101 ; scwrl3 -i /var/tmp/to_scwrl_57137532.pdb -s /var/tmp/to_scwrl_57137532.seq -o /var/tmp/from_scwrl_57137532.pdb > /var/tmp/scwrl_57137532.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_57137532.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 T0283 can't currently be optimized by undertaker # naming current conformation Pcons6_TS4 # request to SCWRL produces command: ulimit -t 101 ; scwrl3 -i /var/tmp/to_scwrl_1512729725.pdb -s /var/tmp/to_scwrl_1512729725.seq -o /var/tmp/from_scwrl_1512729725.pdb > /var/tmp/scwrl_1512729725.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1512729725.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 T0283 can't currently be optimized by undertaker # naming current conformation Pcons6_TS5 # request to SCWRL produces command: ulimit -t 101 ; scwrl3 -i /var/tmp/to_scwrl_1128746515.pdb -s /var/tmp/to_scwrl_1128746515.seq -o /var/tmp/from_scwrl_1128746515.pdb > /var/tmp/scwrl_1128746515.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1128746515.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 T0283 can't currently be optimized by undertaker # naming current conformation Phyre-1_TS1 # request to SCWRL produces command: ulimit -t 101 ; scwrl3 -i /var/tmp/to_scwrl_1319016270.pdb -s /var/tmp/to_scwrl_1319016270.seq -o /var/tmp/from_scwrl_1319016270.pdb > /var/tmp/scwrl_1319016270.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1319016270.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 T0283 can't currently be optimized by undertaker # naming current conformation Phyre-2_TS1 # request to SCWRL produces command: ulimit -t 101 ; scwrl3 -i /var/tmp/to_scwrl_1130829695.pdb -s /var/tmp/to_scwrl_1130829695.seq -o /var/tmp/from_scwrl_1130829695.pdb > /var/tmp/scwrl_1130829695.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1130829695.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 T0283 can't currently be optimized by undertaker # naming current conformation Phyre-2_TS2 # request to SCWRL produces command: ulimit -t 101 ; scwrl3 -i /var/tmp/to_scwrl_1280714460.pdb -s /var/tmp/to_scwrl_1280714460.seq -o /var/tmp/from_scwrl_1280714460.pdb > /var/tmp/scwrl_1280714460.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1280714460.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 T0283 can't currently be optimized by undertaker # naming current conformation Phyre-2_TS3 # request to SCWRL produces command: ulimit -t 101 ; scwrl3 -i /var/tmp/to_scwrl_1411672047.pdb -s /var/tmp/to_scwrl_1411672047.seq -o /var/tmp/from_scwrl_1411672047.pdb > /var/tmp/scwrl_1411672047.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1411672047.pdb # conformation set from SCWRL output # naming current conformation Phyre-2_TS3-scwrl # ReadConformPDB reading from PDB file servers/Phyre-2_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0283 can't currently be optimized by undertaker # naming current conformation Phyre-2_TS4 # request to SCWRL produces command: ulimit -t 101 ; scwrl3 -i /var/tmp/to_scwrl_338000405.pdb -s /var/tmp/to_scwrl_338000405.seq -o /var/tmp/from_scwrl_338000405.pdb > /var/tmp/scwrl_338000405.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_338000405.pdb # conformation set from SCWRL output # naming current conformation Phyre-2_TS4-scwrl # ReadConformPDB reading from PDB file servers/Phyre-2_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0283 can't currently be optimized by undertaker # naming current conformation Phyre-2_TS5 # request to SCWRL produces command: ulimit -t 101 ; scwrl3 -i /var/tmp/to_scwrl_1219450248.pdb -s /var/tmp/to_scwrl_1219450248.seq -o /var/tmp/from_scwrl_1219450248.pdb > /var/tmp/scwrl_1219450248.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1219450248.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 T0283 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation Pmodeller6_TS1 # request to SCWRL produces command: ulimit -t 101 ; scwrl3 -i /var/tmp/to_scwrl_1697058747.pdb -s /var/tmp/to_scwrl_1697058747.seq -o /var/tmp/from_scwrl_1697058747.pdb > /var/tmp/scwrl_1697058747.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1697058747.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 T0283 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation Pmodeller6_TS2 # request to SCWRL produces command: ulimit -t 101 ; scwrl3 -i /var/tmp/to_scwrl_2020233726.pdb -s /var/tmp/to_scwrl_2020233726.seq -o /var/tmp/from_scwrl_2020233726.pdb > /var/tmp/scwrl_2020233726.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2020233726.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 T0283 can't currently be optimized by undertaker # naming current conformation Pmodeller6_TS3 # request to SCWRL produces command: ulimit -t 101 ; scwrl3 -i /var/tmp/to_scwrl_439057918.pdb -s /var/tmp/to_scwrl_439057918.seq -o /var/tmp/from_scwrl_439057918.pdb > /var/tmp/scwrl_439057918.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_439057918.pdb # conformation set from SCWRL output # naming current conformation Pmodeller6_TS3-scwrl # ReadConformPDB reading from PDB file servers/Pmodeller6_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0283 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation Pmodeller6_TS4 # request to SCWRL produces command: ulimit -t 101 ; scwrl3 -i /var/tmp/to_scwrl_506314902.pdb -s /var/tmp/to_scwrl_506314902.seq -o /var/tmp/from_scwrl_506314902.pdb > /var/tmp/scwrl_506314902.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_506314902.pdb # conformation set from SCWRL output # naming current conformation Pmodeller6_TS4-scwrl # ReadConformPDB reading from PDB file servers/Pmodeller6_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0283 can't currently be optimized by undertaker # naming current conformation Pmodeller6_TS5 # request to SCWRL produces command: ulimit -t 101 ; scwrl3 -i /var/tmp/to_scwrl_285598427.pdb -s /var/tmp/to_scwrl_285598427.seq -o /var/tmp/from_scwrl_285598427.pdb > /var/tmp/scwrl_285598427.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_285598427.pdb # conformation set from SCWRL output # naming current conformation Pmodeller6_TS5-scwrl # ReadConformPDB reading from PDB file servers/RAPTOR-ACE_TS1.pdb.gz looking for model 1 # naming current conformation RAPTOR-ACE_TS1 # request to SCWRL produces command: ulimit -t 101 ; scwrl3 -i /var/tmp/to_scwrl_887081469.pdb -s /var/tmp/to_scwrl_887081469.seq -o /var/tmp/from_scwrl_887081469.pdb > /var/tmp/scwrl_887081469.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_887081469.pdb # conformation set from SCWRL output # naming current conformation RAPTOR-ACE_TS1-scwrl # ReadConformPDB reading from PDB file servers/RAPTOR-ACE_TS2.pdb.gz looking for model 1 # naming current conformation RAPTOR-ACE_TS2 # request to SCWRL produces command: ulimit -t 101 ; scwrl3 -i /var/tmp/to_scwrl_1029781003.pdb -s /var/tmp/to_scwrl_1029781003.seq -o /var/tmp/from_scwrl_1029781003.pdb > /var/tmp/scwrl_1029781003.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1029781003.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 # naming current conformation RAPTOR-ACE_TS3 # request to SCWRL produces command: ulimit -t 101 ; scwrl3 -i /var/tmp/to_scwrl_1729618916.pdb -s /var/tmp/to_scwrl_1729618916.seq -o /var/tmp/from_scwrl_1729618916.pdb > /var/tmp/scwrl_1729618916.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1729618916.pdb # conformation set from SCWRL output # naming current conformation RAPTOR-ACE_TS3-scwrl # ReadConformPDB reading from PDB file servers/RAPTOR-ACE_TS4.pdb.gz looking for model 1 # Found a chain break before 27 # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS4 # request to SCWRL produces command: ulimit -t 101 ; scwrl3 -i /var/tmp/to_scwrl_501047292.pdb -s /var/tmp/to_scwrl_501047292.seq -o /var/tmp/from_scwrl_501047292.pdb > /var/tmp/scwrl_501047292.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_501047292.pdb # conformation set from SCWRL output # naming current conformation RAPTOR-ACE_TS4-scwrl # ReadConformPDB reading from PDB file servers/RAPTOR-ACE_TS5.pdb.gz looking for model 1 # Found a chain break before 27 # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS5 # request to SCWRL produces command: ulimit -t 101 ; scwrl3 -i /var/tmp/to_scwrl_743986493.pdb -s /var/tmp/to_scwrl_743986493.seq -o /var/tmp/from_scwrl_743986493.pdb > /var/tmp/scwrl_743986493.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_743986493.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 14 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS1 # request to SCWRL produces command: ulimit -t 101 ; scwrl3 -i /var/tmp/to_scwrl_327152006.pdb -s /var/tmp/to_scwrl_327152006.seq -o /var/tmp/from_scwrl_327152006.pdb > /var/tmp/scwrl_327152006.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_327152006.pdb # conformation set from SCWRL output # naming current conformation RAPTORESS_TS1-scwrl # ReadConformPDB reading from PDB file servers/RAPTORESS_TS2.pdb.gz looking for model 1 # Found a chain break before 58 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS2 # request to SCWRL produces command: ulimit -t 101 ; scwrl3 -i /var/tmp/to_scwrl_1186208576.pdb -s /var/tmp/to_scwrl_1186208576.seq -o /var/tmp/from_scwrl_1186208576.pdb > /var/tmp/scwrl_1186208576.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1186208576.pdb # conformation set from SCWRL output # naming current conformation RAPTORESS_TS2-scwrl # ReadConformPDB reading from PDB file servers/RAPTORESS_TS3.pdb.gz looking for model 1 # naming current conformation RAPTORESS_TS3 # request to SCWRL produces command: ulimit -t 101 ; scwrl3 -i /var/tmp/to_scwrl_1977874394.pdb -s /var/tmp/to_scwrl_1977874394.seq -o /var/tmp/from_scwrl_1977874394.pdb > /var/tmp/scwrl_1977874394.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1977874394.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 26 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS4 # request to SCWRL produces command: ulimit -t 101 ; scwrl3 -i /var/tmp/to_scwrl_1472382142.pdb -s /var/tmp/to_scwrl_1472382142.seq -o /var/tmp/from_scwrl_1472382142.pdb > /var/tmp/scwrl_1472382142.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1472382142.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 102 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS5 # request to SCWRL produces command: ulimit -t 101 ; scwrl3 -i /var/tmp/to_scwrl_2116379448.pdb -s /var/tmp/to_scwrl_2116379448.seq -o /var/tmp/from_scwrl_2116379448.pdb > /var/tmp/scwrl_2116379448.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2116379448.pdb # conformation set from SCWRL output # naming current conformation RAPTORESS_TS5-scwrl # ReadConformPDB reading from PDB file servers/RAPTOR_TS1.pdb.gz looking for model 1 # naming current conformation RAPTOR_TS1 # request to SCWRL produces command: ulimit -t 101 ; scwrl3 -i /var/tmp/to_scwrl_1769746782.pdb -s /var/tmp/to_scwrl_1769746782.seq -o /var/tmp/from_scwrl_1769746782.pdb > /var/tmp/scwrl_1769746782.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1769746782.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 101 ; scwrl3 -i /var/tmp/to_scwrl_495694957.pdb -s /var/tmp/to_scwrl_495694957.seq -o /var/tmp/from_scwrl_495694957.pdb > /var/tmp/scwrl_495694957.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_495694957.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 99 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS3 # request to SCWRL produces command: ulimit -t 101 ; scwrl3 -i /var/tmp/to_scwrl_409001870.pdb -s /var/tmp/to_scwrl_409001870.seq -o /var/tmp/from_scwrl_409001870.pdb > /var/tmp/scwrl_409001870.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_409001870.pdb # conformation set from SCWRL output # naming current conformation RAPTOR_TS3-scwrl # ReadConformPDB reading from PDB file servers/RAPTOR_TS4.pdb.gz looking for model 1 # Found a chain break before 34 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS4 # request to SCWRL produces command: ulimit -t 101 ; scwrl3 -i /var/tmp/to_scwrl_1660844213.pdb -s /var/tmp/to_scwrl_1660844213.seq -o /var/tmp/from_scwrl_1660844213.pdb > /var/tmp/scwrl_1660844213.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1660844213.pdb # conformation set from SCWRL output # naming current conformation RAPTOR_TS4-scwrl # ReadConformPDB reading from PDB file servers/RAPTOR_TS5.pdb.gz looking for model 1 # Found a chain break before 7 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS5 # request to SCWRL produces command: ulimit -t 101 ; scwrl3 -i /var/tmp/to_scwrl_1178188869.pdb -s /var/tmp/to_scwrl_1178188869.seq -o /var/tmp/from_scwrl_1178188869.pdb > /var/tmp/scwrl_1178188869.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1178188869.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 101 ; scwrl3 -i /var/tmp/to_scwrl_691899334.pdb -s /var/tmp/to_scwrl_691899334.seq -o /var/tmp/from_scwrl_691899334.pdb > /var/tmp/scwrl_691899334.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_691899334.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 # WARNING: incomplete conformation T0283 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS2 # request to SCWRL produces command: ulimit -t 101 ; scwrl3 -i /var/tmp/to_scwrl_1380787087.pdb -s /var/tmp/to_scwrl_1380787087.seq -o /var/tmp/from_scwrl_1380787087.pdb > /var/tmp/scwrl_1380787087.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1380787087.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 # naming current conformation ROBETTA_TS3 # request to SCWRL produces command: ulimit -t 101 ; scwrl3 -i /var/tmp/to_scwrl_1235326401.pdb -s /var/tmp/to_scwrl_1235326401.seq -o /var/tmp/from_scwrl_1235326401.pdb > /var/tmp/scwrl_1235326401.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1235326401.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 # WARNING: incomplete conformation T0283 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS4 # request to SCWRL produces command: ulimit -t 101 ; scwrl3 -i /var/tmp/to_scwrl_57145412.pdb -s /var/tmp/to_scwrl_57145412.seq -o /var/tmp/from_scwrl_57145412.pdb > /var/tmp/scwrl_57145412.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_57145412.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 101 ; scwrl3 -i /var/tmp/to_scwrl_362049956.pdb -s /var/tmp/to_scwrl_362049956.seq -o /var/tmp/from_scwrl_362049956.pdb > /var/tmp/scwrl_362049956.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_362049956.pdb # conformation set from SCWRL output # naming current conformation ROBETTA_TS5-scwrl # ReadConformPDB reading from PDB file servers/ROKKY_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0283 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation ROKKY_TS1 # request to SCWRL produces command: ulimit -t 101 ; scwrl3 -i /var/tmp/to_scwrl_406859026.pdb -s /var/tmp/to_scwrl_406859026.seq -o /var/tmp/from_scwrl_406859026.pdb > /var/tmp/scwrl_406859026.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_406859026.pdb # conformation set from SCWRL output # naming current conformation ROKKY_TS1-scwrl # ReadConformPDB reading from PDB file servers/ROKKY_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0283 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation ROKKY_TS2 # request to SCWRL produces command: ulimit -t 101 ; scwrl3 -i /var/tmp/to_scwrl_1187975107.pdb -s /var/tmp/to_scwrl_1187975107.seq -o /var/tmp/from_scwrl_1187975107.pdb > /var/tmp/scwrl_1187975107.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1187975107.pdb # conformation set from SCWRL output # naming current conformation ROKKY_TS2-scwrl # ReadConformPDB reading from PDB file servers/ROKKY_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0283 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation ROKKY_TS3 # request to SCWRL produces command: ulimit -t 101 ; scwrl3 -i /var/tmp/to_scwrl_1642764417.pdb -s /var/tmp/to_scwrl_1642764417.seq -o /var/tmp/from_scwrl_1642764417.pdb > /var/tmp/scwrl_1642764417.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1642764417.pdb # conformation set from SCWRL output # naming current conformation ROKKY_TS3-scwrl # ReadConformPDB reading from PDB file servers/ROKKY_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0283 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation ROKKY_TS4 # request to SCWRL produces command: ulimit -t 101 ; scwrl3 -i /var/tmp/to_scwrl_1818531073.pdb -s /var/tmp/to_scwrl_1818531073.seq -o /var/tmp/from_scwrl_1818531073.pdb > /var/tmp/scwrl_1818531073.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1818531073.pdb # conformation set from SCWRL output # naming current conformation ROKKY_TS4-scwrl # ReadConformPDB reading from PDB file servers/ROKKY_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0283 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation ROKKY_TS5 # request to SCWRL produces command: ulimit -t 101 ; scwrl3 -i /var/tmp/to_scwrl_1525975512.pdb -s /var/tmp/to_scwrl_1525975512.seq -o /var/tmp/from_scwrl_1525975512.pdb > /var/tmp/scwrl_1525975512.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1525975512.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 T0283 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL1 # request to SCWRL produces command: ulimit -t 101 ; scwrl3 -i /var/tmp/to_scwrl_714731019.pdb -s /var/tmp/to_scwrl_714731019.seq -o /var/tmp/from_scwrl_714731019.pdb > /var/tmp/scwrl_714731019.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_714731019.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 T0283 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL2 # request to SCWRL produces command: ulimit -t 101 ; scwrl3 -i /var/tmp/to_scwrl_1368106173.pdb -s /var/tmp/to_scwrl_1368106173.seq -o /var/tmp/from_scwrl_1368106173.pdb > /var/tmp/scwrl_1368106173.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1368106173.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 T0283 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL3 # request to SCWRL produces command: ulimit -t 101 ; scwrl3 -i /var/tmp/to_scwrl_1398725592.pdb -s /var/tmp/to_scwrl_1398725592.seq -o /var/tmp/from_scwrl_1398725592.pdb > /var/tmp/scwrl_1398725592.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1398725592.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 T0283 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL4 # request to SCWRL produces command: ulimit -t 101 ; scwrl3 -i /var/tmp/to_scwrl_1153788936.pdb -s /var/tmp/to_scwrl_1153788936.seq -o /var/tmp/from_scwrl_1153788936.pdb > /var/tmp/scwrl_1153788936.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1153788936.pdb # conformation set from SCWRL output # naming current conformation SAM-T02_AL4-scwrl # ReadConformPDB reading from PDB file servers/SAM-T02_AL5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0283 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL5 # request to SCWRL produces command: ulimit -t 101 ; scwrl3 -i /var/tmp/to_scwrl_1874421076.pdb -s /var/tmp/to_scwrl_1874421076.seq -o /var/tmp/from_scwrl_1874421076.pdb > /var/tmp/scwrl_1874421076.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1874421076.pdb # conformation set from SCWRL output # naming current conformation SAM-T02_AL5-scwrl # ReadConformPDB reading from PDB file servers/SAM_T06_server_TS1.pdb.gz looking for model 1 # Found a chain break before 97 # copying to AlignedFragments data structure # naming current conformation SAM_T06_server_TS1 # request to SCWRL produces command: ulimit -t 101 ; scwrl3 -i /var/tmp/to_scwrl_1684324019.pdb -s /var/tmp/to_scwrl_1684324019.seq -o /var/tmp/from_scwrl_1684324019.pdb > /var/tmp/scwrl_1684324019.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1684324019.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 T0283 can't currently be optimized by undertaker # naming current conformation SAM_T06_server_TS2 # request to SCWRL produces command: ulimit -t 101 ; scwrl3 -i /var/tmp/to_scwrl_2040870406.pdb -s /var/tmp/to_scwrl_2040870406.seq -o /var/tmp/from_scwrl_2040870406.pdb > /var/tmp/scwrl_2040870406.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2040870406.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 T0283 can't currently be optimized by undertaker # naming current conformation SAM_T06_server_TS3 # request to SCWRL produces command: ulimit -t 101 ; scwrl3 -i /var/tmp/to_scwrl_756718432.pdb -s /var/tmp/to_scwrl_756718432.seq -o /var/tmp/from_scwrl_756718432.pdb > /var/tmp/scwrl_756718432.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_756718432.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 T0283 can't currently be optimized by undertaker # naming current conformation SAM_T06_server_TS4 # request to SCWRL produces command: ulimit -t 101 ; scwrl3 -i /var/tmp/to_scwrl_1266459288.pdb -s /var/tmp/to_scwrl_1266459288.seq -o /var/tmp/from_scwrl_1266459288.pdb > /var/tmp/scwrl_1266459288.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1266459288.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 T0283 can't currently be optimized by undertaker # naming current conformation SAM_T06_server_TS5 # request to SCWRL produces command: ulimit -t 101 ; scwrl3 -i /var/tmp/to_scwrl_394434051.pdb -s /var/tmp/to_scwrl_394434051.seq -o /var/tmp/from_scwrl_394434051.pdb > /var/tmp/scwrl_394434051.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_394434051.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 8 # copying to AlignedFragments data structure # naming current conformation SP3_TS1 # request to SCWRL produces command: ulimit -t 101 ; scwrl3 -i /var/tmp/to_scwrl_1500704924.pdb -s /var/tmp/to_scwrl_1500704924.seq -o /var/tmp/from_scwrl_1500704924.pdb > /var/tmp/scwrl_1500704924.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1500704924.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 # naming current conformation SP3_TS2 # request to SCWRL produces command: ulimit -t 101 ; scwrl3 -i /var/tmp/to_scwrl_1593611294.pdb -s /var/tmp/to_scwrl_1593611294.seq -o /var/tmp/from_scwrl_1593611294.pdb > /var/tmp/scwrl_1593611294.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1593611294.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 71 # copying to AlignedFragments data structure # naming current conformation SP3_TS3 # request to SCWRL produces command: ulimit -t 101 ; scwrl3 -i /var/tmp/to_scwrl_1580642628.pdb -s /var/tmp/to_scwrl_1580642628.seq -o /var/tmp/from_scwrl_1580642628.pdb > /var/tmp/scwrl_1580642628.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1580642628.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 101 ; scwrl3 -i /var/tmp/to_scwrl_1331095672.pdb -s /var/tmp/to_scwrl_1331095672.seq -o /var/tmp/from_scwrl_1331095672.pdb > /var/tmp/scwrl_1331095672.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1331095672.pdb # conformation set from SCWRL output # naming current conformation SP3_TS4-scwrl # ReadConformPDB reading from PDB file servers/SP3_TS5.pdb.gz looking for model 1 # Found a chain break before 27 # copying to AlignedFragments data structure # naming current conformation SP3_TS5 # request to SCWRL produces command: ulimit -t 101 ; scwrl3 -i /var/tmp/to_scwrl_918509790.pdb -s /var/tmp/to_scwrl_918509790.seq -o /var/tmp/from_scwrl_918509790.pdb > /var/tmp/scwrl_918509790.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_918509790.pdb # conformation set from SCWRL output # naming current conformation SP3_TS5-scwrl # ReadConformPDB reading from PDB file servers/SP4_TS1.pdb.gz looking for model 1 # Found a chain break before 8 # copying to AlignedFragments data structure # naming current conformation SP4_TS1 # request to SCWRL produces command: ulimit -t 101 ; scwrl3 -i /var/tmp/to_scwrl_1549538429.pdb -s /var/tmp/to_scwrl_1549538429.seq -o /var/tmp/from_scwrl_1549538429.pdb > /var/tmp/scwrl_1549538429.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1549538429.pdb # conformation set from SCWRL output # naming current conformation SP4_TS1-scwrl # ReadConformPDB reading from PDB file servers/SP4_TS2.pdb.gz looking for model 1 # naming current conformation SP4_TS2 # request to SCWRL produces command: ulimit -t 101 ; scwrl3 -i /var/tmp/to_scwrl_953358808.pdb -s /var/tmp/to_scwrl_953358808.seq -o /var/tmp/from_scwrl_953358808.pdb > /var/tmp/scwrl_953358808.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_953358808.pdb # conformation set from SCWRL output # naming current conformation SP4_TS2-scwrl # ReadConformPDB reading from PDB file servers/SP4_TS3.pdb.gz looking for model 1 # naming current conformation SP4_TS3 # request to SCWRL produces command: ulimit -t 101 ; scwrl3 -i /var/tmp/to_scwrl_1414204746.pdb -s /var/tmp/to_scwrl_1414204746.seq -o /var/tmp/from_scwrl_1414204746.pdb > /var/tmp/scwrl_1414204746.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1414204746.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 101 ; scwrl3 -i /var/tmp/to_scwrl_1958540299.pdb -s /var/tmp/to_scwrl_1958540299.seq -o /var/tmp/from_scwrl_1958540299.pdb > /var/tmp/scwrl_1958540299.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1958540299.pdb # conformation set from SCWRL output # naming current conformation SP4_TS4-scwrl # ReadConformPDB reading from PDB file servers/SP4_TS5.pdb.gz looking for model 1 # Found a chain break before 81 # copying to AlignedFragments data structure # naming current conformation SP4_TS5 # request to SCWRL produces command: ulimit -t 101 ; scwrl3 -i /var/tmp/to_scwrl_466719375.pdb -s /var/tmp/to_scwrl_466719375.seq -o /var/tmp/from_scwrl_466719375.pdb > /var/tmp/scwrl_466719375.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_466719375.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 8 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS1 # request to SCWRL produces command: ulimit -t 101 ; scwrl3 -i /var/tmp/to_scwrl_444909969.pdb -s /var/tmp/to_scwrl_444909969.seq -o /var/tmp/from_scwrl_444909969.pdb > /var/tmp/scwrl_444909969.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_444909969.pdb # conformation set from SCWRL output # naming current conformation SPARKS2_TS1-scwrl # ReadConformPDB reading from PDB file servers/SPARKS2_TS2.pdb.gz looking for model 1 # naming current conformation SPARKS2_TS2 # request to SCWRL produces command: ulimit -t 101 ; scwrl3 -i /var/tmp/to_scwrl_502955986.pdb -s /var/tmp/to_scwrl_502955986.seq -o /var/tmp/from_scwrl_502955986.pdb > /var/tmp/scwrl_502955986.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_502955986.pdb # conformation set from SCWRL output # naming current conformation SPARKS2_TS2-scwrl # ReadConformPDB reading from PDB file servers/SPARKS2_TS3.pdb.gz looking for model 1 # naming current conformation SPARKS2_TS3 # request to SCWRL produces command: ulimit -t 101 ; scwrl3 -i /var/tmp/to_scwrl_1847506462.pdb -s /var/tmp/to_scwrl_1847506462.seq -o /var/tmp/from_scwrl_1847506462.pdb > /var/tmp/scwrl_1847506462.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1847506462.pdb # conformation set from SCWRL output # naming current conformation SPARKS2_TS3-scwrl # ReadConformPDB reading from PDB file servers/SPARKS2_TS4.pdb.gz looking for model 1 # Found a chain break before 63 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS4 # request to SCWRL produces command: ulimit -t 101 ; scwrl3 -i /var/tmp/to_scwrl_1680236371.pdb -s /var/tmp/to_scwrl_1680236371.seq -o /var/tmp/from_scwrl_1680236371.pdb > /var/tmp/scwrl_1680236371.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1680236371.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 101 ; scwrl3 -i /var/tmp/to_scwrl_560101399.pdb -s /var/tmp/to_scwrl_560101399.seq -o /var/tmp/from_scwrl_560101399.pdb > /var/tmp/scwrl_560101399.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_560101399.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 T0283 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS1 # request to SCWRL produces command: ulimit -t 101 ; scwrl3 -i /var/tmp/to_scwrl_62072772.pdb -s /var/tmp/to_scwrl_62072772.seq -o /var/tmp/from_scwrl_62072772.pdb > /var/tmp/scwrl_62072772.log Error: Couldn't open file /var/tmp/from_scwrl_62072772.pdb or /var/tmp/from_scwrl_62072772.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_62072772_b.pdb or decoys//var/tmp/from_scwrl_62072772_b.pdb.gz for input Trying /var/tmp/from_scwrl_62072772_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_62072772_b.pdb or /var/tmp/from_scwrl_62072772_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_62072772_a.pdb or decoys//var/tmp/from_scwrl_62072772_a.pdb.gz for input Trying /var/tmp/from_scwrl_62072772_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_62072772_a.pdb or /var/tmp/from_scwrl_62072772_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_62072772.pdb or /var/tmp/from_scwrl_62072772_b.pdb or /var/tmp/from_scwrl_62072772_a.pdb Error: no new SCWRL conformation added # 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 T0283 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS2 # request to SCWRL produces command: ulimit -t 101 ; scwrl3 -i /var/tmp/to_scwrl_2087095397.pdb -s /var/tmp/to_scwrl_2087095397.seq -o /var/tmp/from_scwrl_2087095397.pdb > /var/tmp/scwrl_2087095397.log Error: Couldn't open file /var/tmp/from_scwrl_2087095397.pdb or /var/tmp/from_scwrl_2087095397.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2087095397_b.pdb or decoys//var/tmp/from_scwrl_2087095397_b.pdb.gz for input Trying /var/tmp/from_scwrl_2087095397_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_2087095397_b.pdb or /var/tmp/from_scwrl_2087095397_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2087095397_a.pdb or decoys//var/tmp/from_scwrl_2087095397_a.pdb.gz for input Trying /var/tmp/from_scwrl_2087095397_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_2087095397_a.pdb or /var/tmp/from_scwrl_2087095397_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_2087095397.pdb or /var/tmp/from_scwrl_2087095397_b.pdb or /var/tmp/from_scwrl_2087095397_a.pdb Error: no new SCWRL conformation added # 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 T0283 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS3 # request to SCWRL produces command: ulimit -t 101 ; scwrl3 -i /var/tmp/to_scwrl_1748076506.pdb -s /var/tmp/to_scwrl_1748076506.seq -o /var/tmp/from_scwrl_1748076506.pdb > /var/tmp/scwrl_1748076506.log Error: Couldn't open file /var/tmp/from_scwrl_1748076506.pdb or /var/tmp/from_scwrl_1748076506.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1748076506_b.pdb or decoys//var/tmp/from_scwrl_1748076506_b.pdb.gz for input Trying /var/tmp/from_scwrl_1748076506_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1748076506_b.pdb or /var/tmp/from_scwrl_1748076506_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1748076506_a.pdb or decoys//var/tmp/from_scwrl_1748076506_a.pdb.gz for input Trying /var/tmp/from_scwrl_1748076506_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1748076506_a.pdb or /var/tmp/from_scwrl_1748076506_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1748076506.pdb or /var/tmp/from_scwrl_1748076506_b.pdb or /var/tmp/from_scwrl_1748076506_a.pdb Error: no new SCWRL conformation added # 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 T0283 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS4 # request to SCWRL produces command: ulimit -t 101 ; scwrl3 -i /var/tmp/to_scwrl_1704837189.pdb -s /var/tmp/to_scwrl_1704837189.seq -o /var/tmp/from_scwrl_1704837189.pdb > /var/tmp/scwrl_1704837189.log Error: Couldn't open file /var/tmp/from_scwrl_1704837189.pdb or /var/tmp/from_scwrl_1704837189.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1704837189_b.pdb or decoys//var/tmp/from_scwrl_1704837189_b.pdb.gz for input Trying /var/tmp/from_scwrl_1704837189_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1704837189_b.pdb or /var/tmp/from_scwrl_1704837189_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1704837189_a.pdb or decoys//var/tmp/from_scwrl_1704837189_a.pdb.gz for input Trying /var/tmp/from_scwrl_1704837189_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1704837189_a.pdb or /var/tmp/from_scwrl_1704837189_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1704837189.pdb or /var/tmp/from_scwrl_1704837189_b.pdb or /var/tmp/from_scwrl_1704837189_a.pdb Error: no new SCWRL conformation added # 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 T0283 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS5 # request to SCWRL produces command: ulimit -t 101 ; scwrl3 -i /var/tmp/to_scwrl_1758142823.pdb -s /var/tmp/to_scwrl_1758142823.seq -o /var/tmp/from_scwrl_1758142823.pdb > /var/tmp/scwrl_1758142823.log Error: Couldn't open file /var/tmp/from_scwrl_1758142823.pdb or /var/tmp/from_scwrl_1758142823.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1758142823_b.pdb or decoys//var/tmp/from_scwrl_1758142823_b.pdb.gz for input Trying /var/tmp/from_scwrl_1758142823_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1758142823_b.pdb or /var/tmp/from_scwrl_1758142823_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1758142823_a.pdb or decoys//var/tmp/from_scwrl_1758142823_a.pdb.gz for input Trying /var/tmp/from_scwrl_1758142823_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1758142823_a.pdb or /var/tmp/from_scwrl_1758142823_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1758142823.pdb or /var/tmp/from_scwrl_1758142823_b.pdb or /var/tmp/from_scwrl_1758142823_a.pdb Error: no new SCWRL conformation added # 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 T0283 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 101 ; scwrl3 -i /var/tmp/to_scwrl_1126568372.pdb -s /var/tmp/to_scwrl_1126568372.seq -o /var/tmp/from_scwrl_1126568372.pdb > /var/tmp/scwrl_1126568372.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1126568372.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 T0283 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL1 # request to SCWRL produces command: ulimit -t 101 ; scwrl3 -i /var/tmp/to_scwrl_272084561.pdb -s /var/tmp/to_scwrl_272084561.seq -o /var/tmp/from_scwrl_272084561.pdb > /var/tmp/scwrl_272084561.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_272084561.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 T0283 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL2 # request to SCWRL produces command: ulimit -t 101 ; scwrl3 -i /var/tmp/to_scwrl_978765351.pdb -s /var/tmp/to_scwrl_978765351.seq -o /var/tmp/from_scwrl_978765351.pdb > /var/tmp/scwrl_978765351.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_978765351.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 T0283 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL3 # request to SCWRL produces command: ulimit -t 101 ; scwrl3 -i /var/tmp/to_scwrl_377810318.pdb -s /var/tmp/to_scwrl_377810318.seq -o /var/tmp/from_scwrl_377810318.pdb > /var/tmp/scwrl_377810318.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_377810318.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 T0283 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL4 # request to SCWRL produces command: ulimit -t 101 ; scwrl3 -i /var/tmp/to_scwrl_1425873497.pdb -s /var/tmp/to_scwrl_1425873497.seq -o /var/tmp/from_scwrl_1425873497.pdb > /var/tmp/scwrl_1425873497.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1425873497.pdb # conformation set from SCWRL output # naming current conformation UNI-EID_sfst_AL4-scwrl # ReadConformPDB reading from PDB file servers/UNI-EID_sfst_AL5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0283 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL5 # request to SCWRL produces command: ulimit -t 101 ; scwrl3 -i /var/tmp/to_scwrl_705702780.pdb -s /var/tmp/to_scwrl_705702780.seq -o /var/tmp/from_scwrl_705702780.pdb > /var/tmp/scwrl_705702780.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_705702780.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 94 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS1 # request to SCWRL produces command: ulimit -t 101 ; scwrl3 -i /var/tmp/to_scwrl_2062134337.pdb -s /var/tmp/to_scwrl_2062134337.seq -o /var/tmp/from_scwrl_2062134337.pdb > /var/tmp/scwrl_2062134337.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2062134337.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 28 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS2 # request to SCWRL produces command: ulimit -t 101 ; scwrl3 -i /var/tmp/to_scwrl_1319260256.pdb -s /var/tmp/to_scwrl_1319260256.seq -o /var/tmp/from_scwrl_1319260256.pdb > /var/tmp/scwrl_1319260256.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1319260256.pdb # conformation set from SCWRL output # naming current conformation Zhang-Server_TS2-scwrl # ReadConformPDB reading from PDB file servers/Zhang-Server_TS3.pdb.gz looking for model 1 # Found a chain break before 108 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS3 # request to SCWRL produces command: ulimit -t 101 ; scwrl3 -i /var/tmp/to_scwrl_1462421211.pdb -s /var/tmp/to_scwrl_1462421211.seq -o /var/tmp/from_scwrl_1462421211.pdb > /var/tmp/scwrl_1462421211.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1462421211.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 82 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS4 # request to SCWRL produces command: ulimit -t 101 ; scwrl3 -i /var/tmp/to_scwrl_1181109978.pdb -s /var/tmp/to_scwrl_1181109978.seq -o /var/tmp/from_scwrl_1181109978.pdb > /var/tmp/scwrl_1181109978.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1181109978.pdb # conformation set from SCWRL output # naming current conformation Zhang-Server_TS4-scwrl # ReadConformPDB reading from PDB file servers/Zhang-Server_TS5.pdb.gz looking for model 1 # Found a chain break before 100 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS5 # request to SCWRL produces command: ulimit -t 101 ; scwrl3 -i /var/tmp/to_scwrl_1713694308.pdb -s /var/tmp/to_scwrl_1713694308.seq -o /var/tmp/from_scwrl_1713694308.pdb > /var/tmp/scwrl_1713694308.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1713694308.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 106 # copying to AlignedFragments data structure # naming current conformation beautshot_TS1 # request to SCWRL produces command: ulimit -t 101 ; scwrl3 -i /var/tmp/to_scwrl_815642490.pdb -s /var/tmp/to_scwrl_815642490.seq -o /var/tmp/from_scwrl_815642490.pdb > /var/tmp/scwrl_815642490.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_815642490.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 T0283 can't currently be optimized by undertaker # naming current conformation beautshotbase_TS1 # request to SCWRL produces command: ulimit -t 101 ; scwrl3 -i /var/tmp/to_scwrl_627237626.pdb -s /var/tmp/to_scwrl_627237626.seq -o /var/tmp/from_scwrl_627237626.pdb > /var/tmp/scwrl_627237626.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_627237626.pdb # conformation set from SCWRL output # naming current conformation beautshotbase_TS1-scwrl # ReadConformPDB reading from PDB file servers/gtg_AL1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0283 can't currently be optimized by undertaker # naming current conformation gtg_AL1 # request to SCWRL produces command: ulimit -t 101 ; scwrl3 -i /var/tmp/to_scwrl_1146853289.pdb -s /var/tmp/to_scwrl_1146853289.seq -o /var/tmp/from_scwrl_1146853289.pdb > /var/tmp/scwrl_1146853289.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1146853289.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 T0283 can't currently be optimized by undertaker # naming current conformation gtg_AL2 # request to SCWRL produces command: ulimit -t 101 ; scwrl3 -i /var/tmp/to_scwrl_2146738162.pdb -s /var/tmp/to_scwrl_2146738162.seq -o /var/tmp/from_scwrl_2146738162.pdb > /var/tmp/scwrl_2146738162.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2146738162.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 T0283 can't currently be optimized by undertaker # naming current conformation gtg_AL3 # request to SCWRL produces command: ulimit -t 101 ; scwrl3 -i /var/tmp/to_scwrl_1545747415.pdb -s /var/tmp/to_scwrl_1545747415.seq -o /var/tmp/from_scwrl_1545747415.pdb > /var/tmp/scwrl_1545747415.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1545747415.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 T0283 can't currently be optimized by undertaker # naming current conformation gtg_AL4 # request to SCWRL produces command: ulimit -t 101 ; scwrl3 -i /var/tmp/to_scwrl_548908072.pdb -s /var/tmp/to_scwrl_548908072.seq -o /var/tmp/from_scwrl_548908072.pdb > /var/tmp/scwrl_548908072.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_548908072.pdb # conformation set from SCWRL output # naming current conformation gtg_AL4-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv.2_TS1.pdb.gz looking for model 1 # naming current conformation karypis.srv.2_TS1 # request to SCWRL produces command: ulimit -t 101 ; scwrl3 -i /var/tmp/to_scwrl_952613323.pdb -s /var/tmp/to_scwrl_952613323.seq -o /var/tmp/from_scwrl_952613323.pdb > /var/tmp/scwrl_952613323.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_952613323.pdb # conformation set from SCWRL output # naming current conformation karypis.srv.2_TS1-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv.2_TS2.pdb.gz looking for model 1 # Found a chain break before 81 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS2 # request to SCWRL produces command: ulimit -t 101 ; scwrl3 -i /var/tmp/to_scwrl_812468516.pdb -s /var/tmp/to_scwrl_812468516.seq -o /var/tmp/from_scwrl_812468516.pdb > /var/tmp/scwrl_812468516.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_812468516.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 101 ; scwrl3 -i /var/tmp/to_scwrl_359964724.pdb -s /var/tmp/to_scwrl_359964724.seq -o /var/tmp/from_scwrl_359964724.pdb > /var/tmp/scwrl_359964724.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_359964724.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 101 ; scwrl3 -i /var/tmp/to_scwrl_1419332697.pdb -s /var/tmp/to_scwrl_1419332697.seq -o /var/tmp/from_scwrl_1419332697.pdb > /var/tmp/scwrl_1419332697.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1419332697.pdb # conformation set from SCWRL output # naming current conformation karypis.srv.2_TS4-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv.2_TS5.pdb.gz looking for model 1 # naming current conformation karypis.srv.2_TS5 # request to SCWRL produces command: ulimit -t 101 ; scwrl3 -i /var/tmp/to_scwrl_1257378484.pdb -s /var/tmp/to_scwrl_1257378484.seq -o /var/tmp/from_scwrl_1257378484.pdb > /var/tmp/scwrl_1257378484.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1257378484.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 109 # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS1 # request to SCWRL produces command: ulimit -t 101 ; scwrl3 -i /var/tmp/to_scwrl_862920711.pdb -s /var/tmp/to_scwrl_862920711.seq -o /var/tmp/from_scwrl_862920711.pdb > /var/tmp/scwrl_862920711.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_862920711.pdb # conformation set from SCWRL output # naming current conformation karypis.srv.4_TS1-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0283 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 101 ; scwrl3 -i /var/tmp/to_scwrl_1119355513.pdb -s /var/tmp/to_scwrl_1119355513.seq -o /var/tmp/from_scwrl_1119355513.pdb > /var/tmp/scwrl_1119355513.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1119355513.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 T0283 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation karypis.srv_TS2 # request to SCWRL produces command: ulimit -t 101 ; scwrl3 -i /var/tmp/to_scwrl_790131209.pdb -s /var/tmp/to_scwrl_790131209.seq -o /var/tmp/from_scwrl_790131209.pdb > /var/tmp/scwrl_790131209.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_790131209.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 T0283 can't currently be optimized by undertaker # naming current conformation karypis.srv_TS3 # request to SCWRL produces command: ulimit -t 101 ; scwrl3 -i /var/tmp/to_scwrl_1423022109.pdb -s /var/tmp/to_scwrl_1423022109.seq -o /var/tmp/from_scwrl_1423022109.pdb > /var/tmp/scwrl_1423022109.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1423022109.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 T0283 can't currently be optimized by undertaker # naming current conformation karypis.srv_TS4 # request to SCWRL produces command: ulimit -t 101 ; scwrl3 -i /var/tmp/to_scwrl_1181428285.pdb -s /var/tmp/to_scwrl_1181428285.seq -o /var/tmp/from_scwrl_1181428285.pdb > /var/tmp/scwrl_1181428285.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1181428285.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 T0283 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation karypis.srv_TS5 # request to SCWRL produces command: ulimit -t 101 ; scwrl3 -i /var/tmp/to_scwrl_729742959.pdb -s /var/tmp/to_scwrl_729742959.seq -o /var/tmp/from_scwrl_729742959.pdb > /var/tmp/scwrl_729742959.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_729742959.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 82 # copying to AlignedFragments data structure # naming current conformation keasar-server_TS1 # request to SCWRL produces command: ulimit -t 101 ; scwrl3 -i /var/tmp/to_scwrl_1023614969.pdb -s /var/tmp/to_scwrl_1023614969.seq -o /var/tmp/from_scwrl_1023614969.pdb > /var/tmp/scwrl_1023614969.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1023614969.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 83 # copying to AlignedFragments data structure # naming current conformation keasar-server_TS2 # request to SCWRL produces command: ulimit -t 101 ; scwrl3 -i /var/tmp/to_scwrl_738781828.pdb -s /var/tmp/to_scwrl_738781828.seq -o /var/tmp/from_scwrl_738781828.pdb > /var/tmp/scwrl_738781828.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_738781828.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 82 # copying to AlignedFragments data structure # naming current conformation keasar-server_TS3 # request to SCWRL produces command: ulimit -t 101 ; scwrl3 -i /var/tmp/to_scwrl_340402136.pdb -s /var/tmp/to_scwrl_340402136.seq -o /var/tmp/from_scwrl_340402136.pdb > /var/tmp/scwrl_340402136.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_340402136.pdb # conformation set from SCWRL output # naming current conformation keasar-server_TS3-scwrl # ReadConformPDB reading from PDB file servers/keasar-server_TS4.pdb.gz looking for model 1 # naming current conformation keasar-server_TS4 # request to SCWRL produces command: ulimit -t 101 ; scwrl3 -i /var/tmp/to_scwrl_2699694.pdb -s /var/tmp/to_scwrl_2699694.seq -o /var/tmp/from_scwrl_2699694.pdb > /var/tmp/scwrl_2699694.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2699694.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 47 # copying to AlignedFragments data structure # naming current conformation keasar-server_TS5 # request to SCWRL produces command: ulimit -t 101 ; scwrl3 -i /var/tmp/to_scwrl_1010866389.pdb -s /var/tmp/to_scwrl_1010866389.seq -o /var/tmp/from_scwrl_1010866389.pdb > /var/tmp/scwrl_1010866389.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1010866389.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 T0283 can't currently be optimized by undertaker # naming current conformation mGen-3D_TS1 # request to SCWRL produces command: ulimit -t 101 ; scwrl3 -i /var/tmp/to_scwrl_1319167486.pdb -s /var/tmp/to_scwrl_1319167486.seq -o /var/tmp/from_scwrl_1319167486.pdb > /var/tmp/scwrl_1319167486.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1319167486.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 T0283 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation nFOLD_TS1 # request to SCWRL produces command: ulimit -t 101 ; scwrl3 -i /var/tmp/to_scwrl_380510012.pdb -s /var/tmp/to_scwrl_380510012.seq -o /var/tmp/from_scwrl_380510012.pdb > /var/tmp/scwrl_380510012.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_380510012.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 T0283 can't currently be optimized by undertaker # naming current conformation nFOLD_TS2 # request to SCWRL produces command: ulimit -t 101 ; scwrl3 -i /var/tmp/to_scwrl_289256239.pdb -s /var/tmp/to_scwrl_289256239.seq -o /var/tmp/from_scwrl_289256239.pdb > /var/tmp/scwrl_289256239.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_289256239.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 T0283 can't currently be optimized by undertaker # naming current conformation nFOLD_TS3 # request to SCWRL produces command: ulimit -t 101 ; scwrl3 -i /var/tmp/to_scwrl_2024870266.pdb -s /var/tmp/to_scwrl_2024870266.seq -o /var/tmp/from_scwrl_2024870266.pdb > /var/tmp/scwrl_2024870266.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2024870266.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: atom 1 has residue number 1 < previous residue 112 in servers/nFOLD_TS4.pdb.gz # WARNING: incomplete conformation T0283 can't currently be optimized by undertaker # naming current conformation nFOLD_TS4 # request to SCWRL produces command: ulimit -t 101 ; scwrl3 -i /var/tmp/to_scwrl_295160702.pdb -s /var/tmp/to_scwrl_295160702.seq -o /var/tmp/from_scwrl_295160702.pdb > /var/tmp/scwrl_295160702.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_295160702.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 T0283 can't currently be optimized by undertaker # naming current conformation nFOLD_TS5 # request to SCWRL produces command: ulimit -t 101 ; scwrl3 -i /var/tmp/to_scwrl_1608516496.pdb -s /var/tmp/to_scwrl_1608516496.seq -o /var/tmp/from_scwrl_1608516496.pdb > /var/tmp/scwrl_1608516496.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1608516496.pdb # conformation set from SCWRL output # naming current conformation nFOLD_TS5-scwrl # ReadConformPDB reading from PDB file servers/shub_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0283 can't currently be optimized by undertaker # naming current conformation shub_TS1 # request to SCWRL produces command: ulimit -t 101 ; scwrl3 -i /var/tmp/to_scwrl_1339807830.pdb -s /var/tmp/to_scwrl_1339807830.seq -o /var/tmp/from_scwrl_1339807830.pdb > /var/tmp/scwrl_1339807830.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1339807830.pdb # conformation set from SCWRL output # naming current conformation shub_TS1-scwrl # command:CPU_time= 32.633 sec, elapsed time= 290.640 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 87.421 real_cost = 205.318 shub_TS1 costs 87.424 real_cost = 209.062 nFOLD_TS5-scwrl costs 69.435 real_cost = 199.713 nFOLD_TS5 costs 69.406 real_cost = 244.940 nFOLD_TS4-scwrl costs 75.616 real_cost = 170.218 nFOLD_TS4 costs 75.618 real_cost = 214.763 nFOLD_TS3-scwrl costs 53.916 real_cost = 177.125 nFOLD_TS3 costs 53.965 real_cost = 233.780 nFOLD_TS2-scwrl costs 61.877 real_cost = 184.610 nFOLD_TS2 costs 61.934 real_cost = 227.791 nFOLD_TS1-scwrl costs 52.973 real_cost = 247.366 nFOLD_TS1 costs 52.973 real_cost = 242.688 mGen-3D_TS1-scwrl costs 48.605 real_cost = 171.513 mGen-3D_TS1 costs 48.573 real_cost = 226.720 keasar-server_TS5-scwrl costs 60.259 real_cost = 170.077 keasar-server_TS5 costs 60.259 real_cost = 169.820 keasar-server_TS4-scwrl costs 79.489 real_cost = 168.477 keasar-server_TS4 costs 79.489 real_cost = 167.352 keasar-server_TS3-scwrl costs 82.490 real_cost = 170.949 keasar-server_TS3 costs 82.490 real_cost = 170.132 keasar-server_TS2-scwrl costs 84.210 real_cost = 168.458 keasar-server_TS2 costs 84.210 real_cost = 168.537 keasar-server_TS1-scwrl costs 81.506 real_cost = 158.506 keasar-server_TS1 costs 81.506 real_cost = 161.306 karypis.srv_TS5-scwrl costs 70.095 real_cost = 167.915 karypis.srv_TS5 costs 70.095 real_cost = 169.629 karypis.srv_TS4-scwrl costs 46.378 real_cost = 138.499 karypis.srv_TS4 costs 46.382 real_cost = 136.976 karypis.srv_TS3-scwrl costs 66.697 real_cost = 116.879 karypis.srv_TS3 costs 66.701 real_cost = 113.290 karypis.srv_TS2-scwrl costs 59.076 real_cost = 141.703 karypis.srv_TS2 costs 59.076 real_cost = 141.255 karypis.srv_TS1-scwrl costs 65.742 real_cost = 158.942 karypis.srv_TS1 costs 65.742 real_cost = 159.087 karypis.srv.4_TS1-scwrl costs 85.724 real_cost = 214.061 karypis.srv.4_TS1 costs 85.724 real_cost = 214.029 karypis.srv.2_TS5-scwrl costs 109.317 real_cost = 232.125 karypis.srv.2_TS5 costs 109.317 real_cost = 232.105 karypis.srv.2_TS4-scwrl costs 67.857 real_cost = 188.667 karypis.srv.2_TS4 costs 67.857 real_cost = 188.667 karypis.srv.2_TS3-scwrl costs 93.316 real_cost = 207.505 karypis.srv.2_TS3 costs 93.316 real_cost = 207.505 karypis.srv.2_TS2-scwrl costs 88.628 real_cost = 215.496 karypis.srv.2_TS2 costs 88.628 real_cost = 215.496 karypis.srv.2_TS1-scwrl costs 100.561 real_cost = 198.570 karypis.srv.2_TS1 costs 100.561 real_cost = 198.570 gtg_AL4-scwrl costs 143.385 real_cost = 408.484 gtg_AL4 costs 143.376 real_cost = 547.443 gtg_AL3-scwrl costs 174.853 real_cost = 466.614 gtg_AL3 costs 175.453 real_cost = 482.525 gtg_AL2-scwrl costs 118.912 real_cost = 358.054 gtg_AL2 costs 118.951 real_cost = 401.330 gtg_AL1-scwrl costs 170.982 real_cost = 490.464 gtg_AL1 costs 171.727 real_cost = 503.211 beautshotbase_TS1-scwrl costs 80.446 real_cost = 179.291 beautshotbase_TS1 costs 80.433 real_cost = 174.968 beautshot_TS1-scwrl costs 73.900 real_cost = 178.821 beautshot_TS1 costs 73.900 real_cost = 182.711 Zhang-Server_TS5-scwrl costs 76.338 real_cost = 114.052 Zhang-Server_TS5 costs 76.338 real_cost = 120.723 Zhang-Server_TS4-scwrl costs 34.435 real_cost = 140.520 Zhang-Server_TS4 costs 34.435 real_cost = 137.765 Zhang-Server_TS3-scwrl costs 37.132 real_cost = 125.540 Zhang-Server_TS3 costs 37.132 real_cost = 130.796 Zhang-Server_TS2-scwrl costs 32.300 real_cost = 25.830 Zhang-Server_TS2 costs 32.300 real_cost = 28.841 Zhang-Server_TS1-scwrl costs 50.027 real_cost = 119.532 Zhang-Server_TS1 costs 50.027 real_cost = 126.042 UNI-EID_sfst_AL5-scwrl costs 97.520 real_cost = 244.346 UNI-EID_sfst_AL5 costs 97.633 real_cost = 295.117 UNI-EID_sfst_AL4-scwrl costs 80.392 real_cost = 190.994 UNI-EID_sfst_AL4 costs 80.399 real_cost = 247.337 UNI-EID_sfst_AL3-scwrl costs 89.038 real_cost = 224.523 UNI-EID_sfst_AL3 costs 89.047 real_cost = 270.047 UNI-EID_sfst_AL2-scwrl costs 100.470 real_cost = 249.636 UNI-EID_sfst_AL2 costs 100.292 real_cost = 298.719 UNI-EID_sfst_AL1-scwrl costs 80.992 real_cost = 193.113 UNI-EID_sfst_AL1 costs 80.966 real_cost = 249.172 UNI-EID_expm_TS1-scwrl costs 87.299 real_cost = 182.855 UNI-EID_expm_TS1 costs 87.299 real_cost = 242.465 UNI-EID_bnmx_TS5-scwrl costs 248.010 real_cost = 351.577 UNI-EID_bnmx_TS4-scwrl costs 249.891 real_cost = 350.904 UNI-EID_bnmx_TS3-scwrl costs 248.518 real_cost = 351.991 UNI-EID_bnmx_TS2-scwrl costs 250.136 real_cost = 350.684 UNI-EID_bnmx_TS1-scwrl costs 250.119 real_cost = 360.973 SPARKS2_TS5-scwrl costs 66.701 real_cost = 188.307 SPARKS2_TS5 costs 66.701 real_cost = 197.057 SPARKS2_TS4-scwrl costs 60.923 real_cost = 196.579 SPARKS2_TS4 costs 60.923 real_cost = 196.471 SPARKS2_TS3-scwrl costs 47.114 real_cost = 180.707 SPARKS2_TS3 costs 47.114 real_cost = 187.695 SPARKS2_TS2-scwrl costs 62.489 real_cost = 163.767 SPARKS2_TS2 costs 62.489 real_cost = 162.269 SPARKS2_TS1-scwrl costs 64.469 real_cost = 178.228 SPARKS2_TS1 costs 64.469 real_cost = 177.106 SP4_TS5-scwrl costs 67.163 real_cost = 178.471 SP4_TS5 costs 67.163 real_cost = 183.122 SP4_TS4-scwrl costs 52.375 real_cost = 171.860 SP4_TS4 costs 52.375 real_cost = 178.970 SP4_TS3-scwrl costs 60.433 real_cost = 112.830 SP4_TS3 costs 60.433 real_cost = 110.158 SP4_TS2-scwrl costs 66.822 real_cost = 167.110 SP4_TS2 costs 66.822 real_cost = 167.914 SP4_TS1-scwrl costs 64.469 real_cost = 178.228 SP4_TS1 costs 64.469 real_cost = 177.106 SP3_TS5-scwrl costs 60.500 real_cost = 135.956 SP3_TS5 costs 60.500 real_cost = 140.357 SP3_TS4-scwrl costs 57.775 real_cost = 185.618 SP3_TS4 costs 57.775 real_cost = 182.560 SP3_TS3-scwrl costs 66.170 real_cost = 190.511 SP3_TS3 costs 66.170 real_cost = 200.317 SP3_TS2-scwrl costs 80.402 real_cost = 179.177 SP3_TS2 costs 80.402 real_cost = 190.178 SP3_TS1-scwrl costs 64.469 real_cost = 178.228 SP3_TS1 costs 64.469 real_cost = 177.106 SAM_T06_server_TS5-scwrl costs 93.713 real_cost = 258.523 SAM_T06_server_TS5 costs 93.707 real_cost = 243.776 SAM_T06_server_TS4-scwrl costs 79.123 real_cost = 231.339 SAM_T06_server_TS4 costs 78.968 real_cost = 217.186 SAM_T06_server_TS3-scwrl costs 95.050 real_cost = 247.247 SAM_T06_server_TS3 costs 95.070 real_cost = 243.199 SAM_T06_server_TS2-scwrl costs 83.184 real_cost = 221.095 SAM_T06_server_TS2 costs 83.245 real_cost = 203.263 SAM_T06_server_TS1-scwrl costs 43.873 real_cost = 104.094 SAM_T06_server_TS1 costs 43.873 real_cost = 105.196 SAM-T02_AL5-scwrl costs 135.063 real_cost = 325.349 SAM-T02_AL5 costs 134.929 real_cost = 301.132 SAM-T02_AL4-scwrl costs 135.864 real_cost = 362.827 SAM-T02_AL4 costs 135.857 real_cost = 366.656 SAM-T02_AL3-scwrl costs 129.748 real_cost = 329.375 SAM-T02_AL3 costs 129.751 real_cost = 321.004 SAM-T02_AL2-scwrl costs 79.173 real_cost = 290.245 SAM-T02_AL2 costs 79.296 real_cost = 318.529 SAM-T02_AL1-scwrl costs 133.971 real_cost = 268.710 SAM-T02_AL1 costs 134.158 real_cost = 341.769 ROKKY_TS5-scwrl costs 36.061 real_cost = 138.730 ROKKY_TS5 costs 36.061 real_cost = 225.562 ROKKY_TS4-scwrl costs 28.386 real_cost = 14.024 ROKKY_TS4 costs 28.386 real_cost = 105.101 ROKKY_TS3-scwrl costs 30.025 real_cost = 80.047 ROKKY_TS3 costs 30.025 real_cost = 166.782 ROKKY_TS2-scwrl costs 22.988 real_cost = -27.044 ROKKY_TS2 costs 22.988 real_cost = 58.481 ROKKY_TS1-scwrl costs 38.442 real_cost = 146.008 ROKKY_TS1 costs 38.442 real_cost = 232.463 ROBETTA_TS5-scwrl costs 32.864 real_cost = 71.124 ROBETTA_TS5 costs 32.864 real_cost = 71.749 ROBETTA_TS4-scwrl costs 45.955 real_cost = 248.994 ROBETTA_TS4 costs 45.955 real_cost = 241.086 ROBETTA_TS3-scwrl costs 23.994 real_cost = 33.783 ROBETTA_TS3 costs 23.994 real_cost = 37.025 ROBETTA_TS2-scwrl costs 40.407 real_cost = 243.095 ROBETTA_TS2 costs 40.407 real_cost = 235.522 ROBETTA_TS1-scwrl costs 28.090 real_cost = 65.367 ROBETTA_TS1 costs 28.090 real_cost = 72.294 RAPTOR_TS5-scwrl costs 75.303 real_cost = 182.933 RAPTOR_TS5 costs 75.303 real_cost = 193.621 RAPTOR_TS4-scwrl costs 74.030 real_cost = 214.097 RAPTOR_TS4 costs 74.030 real_cost = 213.214 RAPTOR_TS3-scwrl costs 70.475 real_cost = 215.477 RAPTOR_TS3 costs 70.475 real_cost = 212.531 RAPTOR_TS2-scwrl costs 58.100 real_cost = 167.649 RAPTOR_TS2 costs 58.100 real_cost = 174.054 RAPTOR_TS1-scwrl costs 62.124 real_cost = 172.399 RAPTOR_TS1 costs 62.124 real_cost = 177.612 RAPTORESS_TS5-scwrl costs 138.955 real_cost = 253.311 RAPTORESS_TS5 costs 138.955 real_cost = 259.857 RAPTORESS_TS4-scwrl costs 127.849 real_cost = 256.679 RAPTORESS_TS4 costs 127.849 real_cost = 259.844 RAPTORESS_TS3-scwrl costs 68.573 real_cost = 197.443 RAPTORESS_TS3 costs 68.573 real_cost = 203.147 RAPTORESS_TS2-scwrl costs 80.489 real_cost = 215.165 RAPTORESS_TS2 costs 80.489 real_cost = 208.723 RAPTORESS_TS1-scwrl costs 57.955 real_cost = 188.460 RAPTORESS_TS1 costs 57.955 real_cost = 190.480 RAPTOR-ACE_TS5-scwrl costs 64.649 real_cost = 142.495 RAPTOR-ACE_TS5 costs 64.649 real_cost = 139.186 RAPTOR-ACE_TS4-scwrl costs 60.500 real_cost = 135.956 RAPTOR-ACE_TS4 costs 60.500 real_cost = 140.357 RAPTOR-ACE_TS3-scwrl costs 80.402 real_cost = 179.177 RAPTOR-ACE_TS3 costs 80.402 real_cost = 190.178 RAPTOR-ACE_TS2-scwrl costs 73.432 real_cost = 138.348 RAPTOR-ACE_TS2 costs 73.432 real_cost = 138.471 RAPTOR-ACE_TS1-scwrl costs 59.221 real_cost = 162.465 RAPTOR-ACE_TS1 costs 59.221 real_cost = 164.409 Pmodeller6_TS5-scwrl costs 37.589 real_cost = 148.736 Pmodeller6_TS5 costs 37.567 real_cost = 146.112 Pmodeller6_TS4-scwrl costs 46.809 real_cost = 139.629 Pmodeller6_TS4 costs 46.809 real_cost = 139.629 Pmodeller6_TS3-scwrl costs 45.714 real_cost = 163.930 Pmodeller6_TS3 costs 45.673 real_cost = 161.056 Pmodeller6_TS2-scwrl costs 45.955 real_cost = 248.994 Pmodeller6_TS2 costs 45.955 real_cost = 241.086 Pmodeller6_TS1-scwrl costs 40.407 real_cost = 243.095 Pmodeller6_TS1 costs 40.407 real_cost = 235.522 Phyre-2_TS5-scwrl costs 49.710 real_cost = 180.939 Phyre-2_TS5 costs 49.704 real_cost = 176.517 Phyre-2_TS4-scwrl costs 131.685 real_cost = 292.802 Phyre-2_TS4 costs 131.657 real_cost = 284.178 Phyre-2_TS3-scwrl costs 118.169 real_cost = 353.096 Phyre-2_TS3 costs 118.047 real_cost = 330.800 Phyre-2_TS2-scwrl costs 118.169 real_cost = 353.096 Phyre-2_TS2 costs 118.047 real_cost = 330.800 Phyre-2_TS1-scwrl costs 118.169 real_cost = 353.096 Phyre-2_TS1 costs 118.047 real_cost = 330.800 Phyre-1_TS1-scwrl costs 130.052 real_cost = 301.505 Phyre-1_TS1 costs 130.024 real_cost = 292.832 Pcons6_TS5-scwrl costs 60.309 real_cost = 156.756 Pcons6_TS5 costs 60.314 real_cost = 153.196 Pcons6_TS4-scwrl costs 55.492 real_cost = 157.235 Pcons6_TS4 costs 55.530 real_cost = 151.451 Pcons6_TS3-scwrl costs 53.924 real_cost = 150.887 Pcons6_TS3 costs 53.931 real_cost = 147.145 Pcons6_TS2-scwrl costs 40.407 real_cost = 243.095 Pcons6_TS2 costs 40.407 real_cost = 235.522 Pcons6_TS1-scwrl costs 45.955 real_cost = 248.994 Pcons6_TS1 costs 45.955 real_cost = 241.086 PROTINFO_TS5-scwrl costs 90.976 real_cost = 192.669 PROTINFO_TS5 costs 90.982 real_cost = 189.519 PROTINFO_TS4-scwrl costs 85.874 real_cost = 198.621 PROTINFO_TS4 costs 85.867 real_cost = 190.900 PROTINFO_TS3-scwrl costs 60.413 real_cost = 126.587 PROTINFO_TS3 costs 60.413 real_cost = 126.704 PROTINFO_TS2-scwrl costs 74.014 real_cost = 194.098 PROTINFO_TS2 costs 74.057 real_cost = 194.441 PROTINFO_TS1-scwrl costs 84.688 real_cost = 202.452 PROTINFO_TS1 costs 84.681 real_cost = 194.697 PROTINFO-AB_TS5-scwrl costs 56.749 real_cost = 138.189 PROTINFO-AB_TS5 costs 56.772 real_cost = 138.704 PROTINFO-AB_TS4-scwrl costs 40.445 real_cost = 119.856 PROTINFO-AB_TS4 costs 40.445 real_cost = 119.791 PROTINFO-AB_TS3-scwrl costs 34.229 real_cost = 130.172 PROTINFO-AB_TS3 costs 34.229 real_cost = 135.096 PROTINFO-AB_TS2-scwrl costs 32.920 real_cost = 120.988 PROTINFO-AB_TS2 costs 32.920 real_cost = 125.005 PROTINFO-AB_TS1-scwrl costs 32.664 real_cost = 117.329 PROTINFO-AB_TS1 costs 32.664 real_cost = 113.257 POMYSL_TS5-scwrl costs 141.969 real_cost = 248.002 POMYSL_TS5 costs 141.969 real_cost = 252.738 POMYSL_TS4-scwrl costs 144.380 real_cost = 260.871 POMYSL_TS4 costs 144.380 real_cost = 272.550 POMYSL_TS3-scwrl costs 172.856 real_cost = 287.975 POMYSL_TS3 costs 172.856 real_cost = 289.446 POMYSL_TS2-scwrl costs 153.189 real_cost = 232.429 POMYSL_TS2 costs 153.189 real_cost = 240.402 POMYSL_TS1-scwrl costs 131.905 real_cost = 218.999 POMYSL_TS1 costs 131.905 real_cost = 234.755 MetaTasser_TS5-scwrl costs 51.029 real_cost = 117.652 MetaTasser_TS5 costs 51.029 real_cost = 115.260 MetaTasser_TS4-scwrl costs 43.544 real_cost = 126.661 MetaTasser_TS4 costs 43.544 real_cost = 126.823 MetaTasser_TS3-scwrl costs 49.402 real_cost = 129.544 MetaTasser_TS3 costs 49.402 real_cost = 127.542 MetaTasser_TS2-scwrl costs 65.025 real_cost = 146.636 MetaTasser_TS2 costs 65.025 real_cost = 147.316 MetaTasser_TS1-scwrl costs 61.958 real_cost = 123.421 MetaTasser_TS1 costs 61.958 real_cost = 125.933 Ma-OPUS-server_TS5-scwrl costs 95.280 real_cost = 191.768 Ma-OPUS-server_TS5 costs 95.280 real_cost = 198.043 Ma-OPUS-server_TS4-scwrl costs 77.809 real_cost = 231.281 Ma-OPUS-server_TS4 costs 77.809 real_cost = 234.129 Ma-OPUS-server_TS3-scwrl costs 98.867 real_cost = 217.383 Ma-OPUS-server_TS3 costs 98.867 real_cost = 218.930 Ma-OPUS-server_TS2-scwrl costs 70.009 real_cost = 205.923 Ma-OPUS-server_TS2 costs 70.009 real_cost = 213.170 Ma-OPUS-server_TS1-scwrl costs 53.945 real_cost = 254.242 Ma-OPUS-server_TS1 costs 53.945 real_cost = 254.519 MIG_FROST_AL1-scwrl costs 66.337 real_cost = 149.662 MIG_FROST_AL1 costs 66.337 real_cost = 149.552 LOOPP_TS5 costs 66.333 real_cost = 143.967 LOOPP_TS4-scwrl costs 52.460 real_cost = 135.913 LOOPP_TS4 costs 52.474 real_cost = 137.062 LOOPP_TS3-scwrl costs 58.676 real_cost = 155.194 LOOPP_TS3 costs 58.518 real_cost = 161.838 LOOPP_TS2-scwrl costs 69.409 real_cost = 224.175 LOOPP_TS2 costs 69.313 real_cost = 223.963 LOOPP_TS1-scwrl costs 58.042 real_cost = 187.059 LOOPP_TS1 costs 58.037 real_cost = 180.945 Huber-Torda-Server_TS5-scwrl costs 74.251 real_cost = 257.288 Huber-Torda-Server_TS5 costs 74.262 real_cost = 289.404 Huber-Torda-Server_TS4-scwrl costs 88.982 real_cost = 298.505 Huber-Torda-Server_TS4 costs 88.823 real_cost = 322.499 Huber-Torda-Server_TS3-scwrl costs 109.618 real_cost = 323.855 Huber-Torda-Server_TS3 costs 109.755 real_cost = 340.398 Huber-Torda-Server_TS2-scwrl costs 84.596 real_cost = 227.557 Huber-Torda-Server_TS2 costs 84.584 real_cost = 261.641 Huber-Torda-Server_TS1-scwrl costs 56.660 real_cost = 183.641 Huber-Torda-Server_TS1 costs 56.648 real_cost = 225.446 HHpred3_TS1-scwrl costs 58.116 real_cost = 122.348 HHpred3_TS1 costs 58.116 real_cost = 132.388 HHpred2_TS1-scwrl costs 80.191 real_cost = 157.723 HHpred2_TS1 costs 80.191 real_cost = 159.952 HHpred1_TS1-scwrl costs 69.976 real_cost = 147.249 HHpred1_TS1 costs 69.976 real_cost = 151.629 FUNCTION_TS5-scwrl costs 60.201 real_cost = 145.998 FUNCTION_TS5 costs 60.201 real_cost = 151.298 FUNCTION_TS4-scwrl costs 45.195 real_cost = 204.540 FUNCTION_TS4 costs 45.195 real_cost = 208.204 FUNCTION_TS3-scwrl costs 66.397 real_cost = 189.777 FUNCTION_TS3 costs 66.397 real_cost = 201.023 FUNCTION_TS2-scwrl costs 65.523 real_cost = 163.167 FUNCTION_TS2 costs 65.523 real_cost = 168.232 FUNCTION_TS1-scwrl costs 57.621 real_cost = 172.155 FUNCTION_TS1 costs 57.621 real_cost = 174.023 FUGUE_AL5-scwrl costs 69.035 real_cost = 241.089 FUGUE_AL5 costs 69.035 real_cost = 235.742 FUGUE_AL4-scwrl costs 70.089 real_cost = 205.664 FUGUE_AL4 costs 70.089 real_cost = 288.526 FUGUE_AL3-scwrl costs 65.082 real_cost = 234.027 FUGUE_AL3 costs 65.080 real_cost = 300.583 FUGUE_AL2-scwrl costs 64.851 real_cost = 220.560 FUGUE_AL2 costs 64.887 real_cost = 289.138 FUGUE_AL1-scwrl costs 79.636 real_cost = 164.493 FUGUE_AL1 costs 79.636 real_cost = 236.432 FUGMOD_TS5-scwrl costs 68.713 real_cost = 146.557 FUGMOD_TS5 costs 68.713 real_cost = 148.376 FUGMOD_TS4-scwrl costs 79.592 real_cost = 193.834 FUGMOD_TS4 costs 79.592 real_cost = 192.767 FUGMOD_TS3-scwrl costs 59.025 real_cost = 216.327 FUGMOD_TS3 costs 59.013 real_cost = 221.612 FUGMOD_TS2-scwrl costs 54.405 real_cost = 193.392 FUGMOD_TS2 costs 54.415 real_cost = 191.298 FUGMOD_TS1-scwrl costs 73.852 real_cost = 140.636 FUGMOD_TS1 costs 73.852 real_cost = 145.009 FPSOLVER-SERVER_TS1-scwrl costs 124.458 real_cost = 248.619 FPSOLVER-SERVER_TS1 costs 124.458 real_cost = 255.847 FORTE2_AL5-scwrl costs 56.153 real_cost = 222.543 FORTE2_AL5 costs 56.230 real_cost = 283.080 FORTE2_AL4-scwrl costs 94.490 real_cost = 233.148 FORTE2_AL4 costs 94.504 real_cost = 287.312 FORTE2_AL3-scwrl costs 58.037 real_cost = 232.914 FORTE2_AL2-scwrl costs 68.784 real_cost = 345.869 FORTE2_AL2 costs 68.784 real_cost = 332.424 FORTE2_AL1-scwrl costs 45.562 real_cost = 360.828 FORTE2_AL1 costs 45.562 real_cost = 352.537 FORTE1_AL5-scwrl costs 93.905 real_cost = 223.513 FORTE1_AL5 costs 93.920 real_cost = 288.962 FORTE1_AL4-scwrl costs 58.037 real_cost = 232.914 FORTE1_AL3-scwrl costs 68.784 real_cost = 345.869 FORTE1_AL3 costs 68.784 real_cost = 332.424 FORTE1_AL2-scwrl costs 45.562 real_cost = 360.828 FORTE1_AL2 costs 45.562 real_cost = 352.537 FORTE1_AL1-scwrl costs 93.578 real_cost = 214.345 FORTE1_AL1 costs 93.579 real_cost = 286.181 FOLDpro_TS5-scwrl costs 76.979 real_cost = 191.018 FOLDpro_TS5 costs 76.979 real_cost = 190.375 FOLDpro_TS4-scwrl costs 78.703 real_cost = 175.921 FOLDpro_TS4 costs 78.703 real_cost = 178.128 FOLDpro_TS3-scwrl costs 90.337 real_cost = 217.899 FOLDpro_TS3 costs 90.337 real_cost = 225.481 FOLDpro_TS2-scwrl costs 107.168 real_cost = 201.431 FOLDpro_TS2 costs 107.168 real_cost = 219.015 FOLDpro_TS1-scwrl costs 75.098 real_cost = 198.023 FOLDpro_TS1 costs 75.098 real_cost = 221.606 FAMS_TS5-scwrl costs 63.544 real_cost = 177.440 FAMS_TS5 costs 63.544 real_cost = 194.641 FAMS_TS4-scwrl costs 37.653 real_cost = 200.098 FAMS_TS4 costs 37.653 real_cost = 198.833 FAMS_TS3-scwrl costs 35.595 real_cost = 163.191 FAMS_TS3 costs 35.595 real_cost = 168.785 FAMS_TS2-scwrl costs 65.148 real_cost = 172.654 FAMS_TS2 costs 65.148 real_cost = 180.594 FAMS_TS1-scwrl costs 41.398 real_cost = 153.792 FAMS_TS1 costs 41.398 real_cost = 162.654 FAMSD_TS5-scwrl costs 58.212 real_cost = 195.912 FAMSD_TS5 costs 58.197 real_cost = 192.940 FAMSD_TS4-scwrl costs 74.978 real_cost = 185.306 FAMSD_TS4 costs 74.978 real_cost = 181.830 FAMSD_TS3-scwrl costs 81.625 real_cost = 188.660 FAMSD_TS3 costs 81.625 real_cost = 185.529 FAMSD_TS2-scwrl costs 57.621 real_cost = 172.155 FAMSD_TS2 costs 57.621 real_cost = 174.023 FAMSD_TS1-scwrl costs 63.387 real_cost = 151.834 FAMSD_TS1 costs 63.387 real_cost = 156.964 Distill_TS5-scwrl costs 255.971 real_cost = 348.136 Distill_TS4-scwrl costs 259.032 real_cost = 342.559 Distill_TS3-scwrl costs 256.146 real_cost = 340.556 Distill_TS2-scwrl costs 255.060 real_cost = 340.905 Distill_TS1-scwrl costs 257.526 real_cost = 345.167 CaspIta-FOX_TS5-scwrl costs 90.247 real_cost = 201.543 CaspIta-FOX_TS5 costs 90.306 real_cost = 197.681 CaspIta-FOX_TS4-scwrl costs 83.171 real_cost = 188.023 CaspIta-FOX_TS4 costs 83.171 real_cost = 189.850 CaspIta-FOX_TS3-scwrl costs 79.146 real_cost = 228.529 CaspIta-FOX_TS3 costs 79.146 real_cost = 229.325 CaspIta-FOX_TS2-scwrl costs 70.671 real_cost = 136.009 CaspIta-FOX_TS2 costs 70.671 real_cost = 138.753 CaspIta-FOX_TS1-scwrl costs 76.680 real_cost = 157.455 CaspIta-FOX_TS1 costs 76.680 real_cost = 158.379 CIRCLE_TS5-scwrl costs 37.653 real_cost = 200.098 CIRCLE_TS5 costs 37.653 real_cost = 198.833 CIRCLE_TS4-scwrl costs 63.544 real_cost = 177.440 CIRCLE_TS4 costs 63.544 real_cost = 194.641 CIRCLE_TS3-scwrl costs 35.595 real_cost = 163.191 CIRCLE_TS3 costs 35.595 real_cost = 168.785 CIRCLE_TS2-scwrl costs 41.398 real_cost = 153.792 CIRCLE_TS2 costs 41.398 real_cost = 162.654 CIRCLE_TS1-scwrl costs 65.148 real_cost = 172.654 CIRCLE_TS1 costs 65.148 real_cost = 180.594 Bilab-ENABLE_TS5-scwrl costs 34.995 real_cost = 203.191 Bilab-ENABLE_TS5 costs 34.995 real_cost = 203.210 Bilab-ENABLE_TS4-scwrl costs 29.004 real_cost = 155.501 Bilab-ENABLE_TS4 costs 29.004 real_cost = 155.501 Bilab-ENABLE_TS3-scwrl costs 33.521 real_cost = 138.217 Bilab-ENABLE_TS3 costs 33.521 real_cost = 137.629 Bilab-ENABLE_TS2-scwrl costs 25.899 real_cost = 114.444 Bilab-ENABLE_TS2 costs 25.899 real_cost = 114.444 Bilab-ENABLE_TS1-scwrl costs 26.614 real_cost = 92.279 Bilab-ENABLE_TS1 costs 26.614 real_cost = 92.279 BayesHH_TS1-scwrl costs 37.146 real_cost = 104.332 BayesHH_TS1 costs 37.146 real_cost = 106.605 ABIpro_TS5-scwrl costs 38.138 real_cost = 168.084 ABIpro_TS5 costs 38.138 real_cost = 168.133 ABIpro_TS4-scwrl costs 36.518 real_cost = 87.191 ABIpro_TS4 costs 36.518 real_cost = 84.986 ABIpro_TS3-scwrl costs 43.515 real_cost = 119.191 ABIpro_TS3 costs 43.515 real_cost = 119.191 ABIpro_TS2-scwrl costs 38.746 real_cost = 93.242 ABIpro_TS2 costs 38.746 real_cost = 93.242 ABIpro_TS1-scwrl costs 30.129 real_cost = 160.376 ABIpro_TS1 costs 30.129 real_cost = 160.376 3Dpro_TS5-scwrl costs 106.298 real_cost = 243.124 3Dpro_TS5 costs 106.298 real_cost = 246.056 3Dpro_TS4-scwrl costs 92.119 real_cost = 175.401 3Dpro_TS4 costs 92.119 real_cost = 174.927 3Dpro_TS3-scwrl costs 88.467 real_cost = 220.004 3Dpro_TS3 costs 88.467 real_cost = 219.625 3Dpro_TS2-scwrl costs 90.337 real_cost = 217.899 3Dpro_TS2 costs 90.337 real_cost = 225.481 3Dpro_TS1-scwrl costs 75.098 real_cost = 198.023 3Dpro_TS1 costs 75.098 real_cost = 221.606 3D-JIGSAW_TS4-scwrl costs 81.643 real_cost = 159.279 3D-JIGSAW_TS4 costs 81.643 real_cost = 165.358 3D-JIGSAW_TS3-scwrl costs 67.821 real_cost = 213.904 3D-JIGSAW_TS3 costs 67.821 real_cost = 220.117 3D-JIGSAW_TS2-scwrl costs 56.043 real_cost = 166.773 3D-JIGSAW_TS2 costs 56.047 real_cost = 167.606 3D-JIGSAW_TS1-scwrl costs 55.816 real_cost = 189.215 3D-JIGSAW_TS1 costs 55.816 real_cost = 193.809 3D-JIGSAW_RECOM_TS5-scwrl costs 66.953 real_cost = 199.317 3D-JIGSAW_RECOM_TS5 costs 66.953 real_cost = 208.758 3D-JIGSAW_RECOM_TS4-scwrl costs 59.571 real_cost = 183.418 3D-JIGSAW_RECOM_TS4 costs 59.575 real_cost = 181.957 3D-JIGSAW_RECOM_TS3-scwrl costs 59.693 real_cost = 182.495 3D-JIGSAW_RECOM_TS3 costs 59.697 real_cost = 180.976 3D-JIGSAW_RECOM_TS2-scwrl costs 56.283 real_cost = 179.421 3D-JIGSAW_RECOM_TS2 costs 56.287 real_cost = 175.260 3D-JIGSAW_RECOM_TS1-scwrl costs 57.423 real_cost = 170.541 3D-JIGSAW_RECOM_TS1 costs 57.423 real_cost = 177.247 3D-JIGSAW_POPULUS_TS5-scwrl costs 42.554 real_cost = 191.027 3D-JIGSAW_POPULUS_TS5 costs 42.554 real_cost = 191.109 3D-JIGSAW_POPULUS_TS4-scwrl costs 48.212 real_cost = 173.933 3D-JIGSAW_POPULUS_TS4 costs 48.212 real_cost = 174.113 3D-JIGSAW_POPULUS_TS3-scwrl costs 51.029 real_cost = 156.684 3D-JIGSAW_POPULUS_TS3 costs 51.029 real_cost = 156.684 3D-JIGSAW_POPULUS_TS2-scwrl costs 48.665 real_cost = 164.275 3D-JIGSAW_POPULUS_TS2 costs 48.665 real_cost = 164.546 3D-JIGSAW_POPULUS_TS1-scwrl costs 45.085 real_cost = 195.057 3D-JIGSAW_POPULUS_TS1 costs 45.085 real_cost = 195.057 rotNtermLessFromTry26.renum.pdb.gz costs 56.418 real_cost = 94.468 rotNtermFromTry26.renum.pdb.gz costs 56.111 real_cost = 95.637 robetta-model9.pdb.gz costs 34.321 real_cost = 88.115 robetta-model8.pdb.gz costs 38.260 real_cost = 229.721 robetta-model7.pdb.gz costs 25.580 real_cost = 20.204 robetta-model6.pdb.gz costs 49.693 real_cost = 237.191 robetta-model5.pdb.gz costs 32.864 real_cost = 71.749 robetta-model4.pdb.gz costs 45.955 real_cost = 241.086 robetta-model3.pdb.gz costs 23.994 real_cost = 37.025 robetta-model2.pdb.gz costs 40.407 real_cost = 235.522 robetta-model10.pdb.gz costs 40.313 real_cost = 228.782 robetta-model1.pdb.gz costs 28.090 real_cost = 72.294 liftTyr31.fromTry9.renum.pdb.gz costs 59.915 real_cost = 100.666 helix81-92rotateFromTry6.renum.pdb.gz costs 61.668 real_cost = 101.702 helix80-93rotateFromTry6.renum.pdb.gz costs 60.761 real_cost = 103.972 g80.randomPerturbOfG80coil.renum.pdb.gz costs 52.991 real_cost = 103.286 g80.randomPerturbOfG80coil.renum.gromacs0.pdb.gz costs 50.145 real_cost = 134.640 g79-80coil.try1.renum.pdb.gz costs 51.135 real_cost = 100.614 crazyCapHelixTake3.renum.pdb.gz costs 58.922 real_cost = 91.706 crazyCapHelix75-77tighter.renum.pdb.gz costs 57.395 real_cost = 89.507 T0283.try9-opt2.repack-nonPC.pdb.gz costs 60.347 real_cost = 97.871 T0283.try9-opt2.pdb.gz costs 60.347 real_cost = 103.550 T0283.try9-opt2.gromacs0.pdb.gz costs 45.000 real_cost = 101.978 T0283.try9-opt1.pdb.gz costs 56.830 real_cost = 101.683 T0283.try9-opt1-scwrl.pdb.gz costs 56.830 real_cost = 98.303 T0283.try8-opt2.repack-nonPC.pdb.gz costs 60.956 real_cost = 99.222 T0283.try8-opt2.pdb.gz costs 60.956 real_cost = 100.762 T0283.try8-opt2.gromacs0.pdb.gz costs 43.723 real_cost = 101.527 T0283.try8-opt1.pdb.gz costs 61.004 real_cost = 99.060 T0283.try8-opt1-scwrl.pdb.gz costs 61.004 real_cost = 97.444 T0283.try7-opt2.repack-nonPC.pdb.gz costs 60.347 real_cost = 99.109 T0283.try7-opt2.pdb.gz costs 60.347 real_cost = 102.035 T0283.try7-opt2.gromacs0.pdb.gz costs 44.301 real_cost = 101.592 T0283.try7-opt1.pdb.gz costs 59.591 real_cost = 102.611 T0283.try7-opt1-scwrl.pdb.gz costs 59.591 real_cost = 98.325 T0283.try6-opt2.repack-nonPC.pdb.gz costs 60.761 real_cost = 97.579 T0283.try6-opt2.pdb.gz costs 60.761 real_cost = 103.415 T0283.try6-opt2.gromacs0.pdb.gz costs 45.713 real_cost = 105.058 T0283.try6-opt1.pdb.gz costs 57.659 real_cost = 97.058 T0283.try6-opt1-scwrl.pdb.gz costs 57.659 real_cost = 97.196 T0283.try5-opt2.repack-nonPC.pdb.gz costs 36.519 real_cost = 129.777 T0283.try5-opt2.pdb.gz costs 36.519 real_cost = 129.458 T0283.try5-opt2.gromacs0.pdb.gz costs 28.749 real_cost = 133.798 T0283.try5-opt1.pdb.gz costs 38.115 real_cost = 130.930 T0283.try5-opt1-scwrl.pdb.gz costs 38.115 real_cost = 131.724 T0283.try4-opt2.repack-nonPC.pdb.gz costs 41.251 real_cost = 98.331 T0283.try4-opt2.pdb.gz costs 41.251 real_cost = 100.793 T0283.try4-opt2.gromacs0.pdb.gz costs 36.883 real_cost = 101.799 T0283.try4-opt1.pdb.gz costs 39.784 real_cost = 101.678 T0283.try4-opt1-scwrl.pdb.gz costs 39.784 real_cost = 97.645 T0283.try3-opt2.repack-nonPC.pdb.gz costs 28.954 real_cost = 61.528 T0283.try3-opt2.pdb.gz costs 28.954 real_cost = 60.147 T0283.try3-opt2.gromacs0.pdb.gz costs 23.146 real_cost = 63.325 T0283.try3-opt1.pdb.gz costs 25.351 real_cost = 66.314 T0283.try3-opt1-scwrl.pdb.gz costs 25.351 real_cost = 65.853 T0283.try29-opt2.repack-nonPC.pdb.gz costs 47.352 real_cost = 87.661 T0283.try29-opt2.pdb.gz costs 47.352 real_cost = 92.041 T0283.try29-opt2.gromacs0.pdb.gz costs 38.506 real_cost = 94.141 T0283.try29-opt1.pdb.gz costs 47.169 real_cost = 90.740 T0283.try29-opt1-scwrl.pdb.gz costs 47.169 real_cost = 90.585 T0283.try28-opt2.repack-nonPC.pdb.gz costs 57.287 real_cost = 90.036 T0283.try28-opt2.pdb.gz costs 57.287 real_cost = 91.311 T0283.try28-opt2.gromacs0.pdb.gz costs 43.425 real_cost = 94.966 T0283.try28-opt1.pdb.gz costs 57.287 real_cost = 91.485 T0283.try28-opt1-scwrl.pdb.gz costs 57.287 real_cost = 91.668 T0283.try27-opt2.repack-nonPC.pdb.gz costs 55.870 real_cost = 93.566 T0283.try27-opt2.pdb.gz costs 55.870 real_cost = 93.184 T0283.try27-opt2.gromacs0.pdb.gz costs 42.386 real_cost = 94.922 T0283.try27-opt1.pdb.gz costs 56.111 real_cost = 93.051 T0283.try27-opt1-scwrl.pdb.gz costs 56.111 real_cost = 91.436 T0283.try26-opt2.repack-nonPC.pdb.gz costs 56.418 real_cost = 98.514 T0283.try26-opt2.pdb.gz costs 56.418 real_cost = 99.032 T0283.try26-opt2.gromacs0.pdb.gz costs 43.412 real_cost = 99.997 T0283.try26-opt1.pdb.gz costs 55.350 real_cost = 99.078 T0283.try26-opt1-scwrl.pdb.gz costs 55.350 real_cost = 98.034 T0283.try25-opt2.repack-nonPC.pdb.gz costs 61.787 real_cost = 98.782 T0283.try25-opt2.pdb.gz costs 61.787 real_cost = 99.108 T0283.try25-opt2.gromacs0.pdb.gz costs 46.102 real_cost = 101.619 T0283.try25-opt1.pdb.gz costs 60.257 real_cost = 97.020 T0283.try25-opt1-scwrl.pdb.gz costs 60.257 real_cost = 95.444 T0283.try24-opt2.repack-nonPC.pdb.gz costs 59.114 real_cost = 94.351 T0283.try24-opt2.pdb.gz costs 59.114 real_cost = 93.823 T0283.try24-opt2.gromacs0.pdb.gz costs 46.983 real_cost = 93.785 T0283.try24-opt1.pdb.gz costs 58.160 real_cost = 91.703 T0283.try24-opt1-scwrl.pdb.gz costs 58.160 real_cost = 90.816 T0283.try23-opt2.repack-nonPC.pdb.gz costs 46.899 real_cost = 94.135 T0283.try23-opt2.pdb.gz costs 46.899 real_cost = 94.144 T0283.try23-opt2.gromacs0.pdb.gz costs 38.149 real_cost = 97.568 T0283.try23-opt1.pdb.gz costs 47.297 real_cost = 94.885 T0283.try23-opt1-scwrl.pdb.gz costs 47.297 real_cost = 94.131 T0283.try22-opt2.repack-nonPC.pdb.gz costs 54.055 real_cost = 93.311 T0283.try22-opt2.pdb.gz costs 54.055 real_cost = 92.814 T0283.try22-opt2.gromacs0.pdb.gz costs 43.327 real_cost = 92.944 T0283.try22-opt1.pdb.gz costs 54.055 real_cost = 91.021 T0283.try22-opt1-scwrl.pdb.gz costs 54.055 real_cost = 87.889 T0283.try21-opt2.repack-nonPC.pdb.gz costs 35.766 real_cost = 60.640 T0283.try21-opt2.pdb.gz costs 35.766 real_cost = 61.387 T0283.try21-opt2.gromacs0.pdb.gz costs 25.114 real_cost = 60.434 T0283.try21-opt1.pdb.gz costs 33.214 real_cost = 58.298 T0283.try21-opt1-scwrl.pdb.gz costs 33.214 real_cost = 58.784 T0283.try20-opt2.repack-nonPC.pdb.gz costs 57.551 real_cost = 89.705 T0283.try20-opt2.pdb.gz costs 57.551 real_cost = 91.376 T0283.try20-opt2.gromacs0.pdb.gz costs 43.274 real_cost = 93.634 T0283.try20-opt1.pdb.gz costs 57.551 real_cost = 91.283 T0283.try20-opt1-scwrl.pdb.gz costs 57.551 real_cost = 89.099 T0283.try2-opt2.repack-nonPC.pdb.gz costs 52.352 real_cost = 148.425 T0283.try2-opt2.pdb.gz costs 52.352 real_cost = 145.836 T0283.try2-opt2.gromacs0.pdb.gz costs 46.149 real_cost = 147.231 T0283.try2-opt1.pdb.gz costs 49.997 real_cost = 145.774 T0283.try2-opt1-scwrl.pdb.gz costs 49.997 real_cost = 145.921 T0283.try19-opt2.repack-nonPC.pdb.gz costs 57.304 real_cost = 88.381 T0283.try19-opt2.pdb.gz costs 57.304 real_cost = 90.663 T0283.try19-opt2.gromacs0.pdb.gz costs 43.743 real_cost = 93.829 T0283.try19-opt1.pdb.gz costs 56.236 real_cost = 89.807 T0283.try19-opt1-scwrl.pdb.gz costs 56.236 real_cost = 87.545 T0283.try18-opt2.repack-nonPC.pdb.gz costs 58.739 real_cost = 95.521 T0283.try18-opt2.pdb.gz costs 58.739 real_cost = 97.071 T0283.try18-opt2.gromacs0.pdb.gz costs 44.829 real_cost = 98.117 T0283.try18-opt1.pdb.gz costs 58.739 real_cost = 96.534 T0283.try18-opt1-scwrl.pdb.gz costs 58.739 real_cost = 95.627 T0283.try17-opt2.repack-nonPC.pdb.gz costs 57.273 real_cost = 95.738 T0283.try17-opt2.pdb.gz costs 57.273 real_cost = 97.182 T0283.try17-opt2.gromacs0.pdb.gz costs 45.883 real_cost = 98.270 T0283.try17-opt1.pdb.gz costs 57.683 real_cost = 97.879 T0283.try17-opt1-scwrl.pdb.gz costs 57.683 real_cost = 95.780 T0283.try16-opt2.repack-nonPC.pdb.gz costs 58.584 real_cost = 95.101 T0283.try16-opt2.pdb.gz costs 58.584 real_cost = 97.698 T0283.try16-opt2.gromacs0.pdb.gz costs 45.883 real_cost = 98.033 T0283.try16-opt1.pdb.gz costs 58.584 real_cost = 98.416 T0283.try16-opt1-scwrl.pdb.gz costs 58.584 real_cost = 95.162 T0283.try14-opt2.repack-nonPC.pdb.gz costs 32.292 real_cost = 81.845 T0283.try14-opt2.pdb.gz costs 32.292 real_cost = 79.327 T0283.try14-opt2.gromacs0.pdb.gz costs 32.036 real_cost = 81.051 T0283.try14-opt1.pdb.gz costs 31.017 real_cost = 83.094 T0283.try14-opt1-scwrl.pdb.gz costs 31.017 real_cost = 80.365 T0283.try13-opt2.repack-nonPC.pdb.gz costs 58.584 real_cost = 95.699 T0283.try13-opt2.pdb.gz costs 58.584 real_cost = 98.678 T0283.try13-opt2.gromacs0.pdb.gz costs 46.065 real_cost = 97.593 T0283.try13-opt1.pdb.gz costs 58.584 real_cost = 98.290 T0283.try13-opt1-scwrl.pdb.gz costs 58.584 real_cost = 93.682 T0283.try12-opt2.repack-nonPC.pdb.gz costs 60.452 real_cost = 97.482 T0283.try12-opt2.pdb.gz costs 60.452 real_cost = 98.337 T0283.try12-opt2.gromacs0.pdb.gz costs 45.943 real_cost = 98.453 T0283.try12-opt1.pdb.gz costs 60.452 real_cost = 100.081 T0283.try12-opt1-scwrl.pdb.gz costs 60.452 real_cost = 97.167 T0283.try11-opt2.repack-nonPC.pdb.gz costs 60.452 real_cost = 96.999 T0283.try11-opt2.pdb.gz costs 60.452 real_cost = 100.191 T0283.try11-opt2.gromacs0.pdb.gz costs 45.242 real_cost = 99.717 T0283.try11-opt1.pdb.gz costs 60.452 real_cost = 100.738 T0283.try11-opt1-scwrl.pdb.gz costs 60.452 real_cost = 98.346 T0283.try10-opt2.repack-nonPC.pdb.gz costs 59.900 real_cost = 100.456 T0283.try10-opt2.pdb.gz costs 59.900 real_cost = 99.647 T0283.try10-opt2.gromacs0.pdb.gz costs 44.374 real_cost = 99.772 T0283.try10-opt1.pdb.gz costs 60.956 real_cost = 101.021 T0283.try10-opt1-scwrl.pdb.gz costs 60.956 real_cost = 97.158 T0283.try1-opt2.repack-nonPC.pdb.gz costs 40.003 real_cost = 108.983 T0283.try1-opt2.pdb.gz costs 40.003 real_cost = 107.068 T0283.try1-opt2.gromacs0.pdb.gz costs 35.367 real_cost = 106.687 T0283.try1-opt1.pdb.gz costs 38.991 real_cost = 101.594 T0283.try1-opt1-scwrl.pdb.gz costs 38.991 real_cost = 100.949 T0283.first_try-opt2.repack-nonPC.pdb.gz costs 36.428 real_cost = 127.015 T0283.first_try-opt2.pdb.gz costs 36.428 real_cost = 125.755 T0283.first_try-opt2.gromacs0.pdb.gz costs 28.324 real_cost = 126.455 T0283.first_try-opt1.pdb.gz costs 34.030 real_cost = 124.852 T0283.first_try-opt1-scwrl.pdb.gz costs 34.030 real_cost = 124.840 ../model5.ts-submitted costs 32.340 real_cost = 79.584 ../model4.ts-submitted costs 36.428 real_cost = 126.991 ../model3.ts-submitted costs 41.251 real_cost = 100.705 ../model2.ts-submitted costs 59.301 real_cost = 96.840 ../model1.ts-submitted costs 46.728 real_cost = 92.398 align5 costs 85.729 real_cost = 206.411 align4 costs 68.723 real_cost = 201.993 align3 costs 94.836 real_cost = 237.752 align2 costs 99.856 real_cost = 228.953 align1 costs 69.265 real_cost = 177.439 T0283.try1-opt2.pdb costs 40.003 real_cost = 107.068 model5-scwrl costs 32.340 real_cost = 83.143 model5.ts-submitted costs 32.340 real_cost = 79.584 model4-scwrl costs 36.428 real_cost = 122.792 model4.ts-submitted costs 36.428 real_cost = 126.991 model3-scwrl costs 41.251 real_cost = 96.782 model3.ts-submitted costs 41.251 real_cost = 100.705 model2-scwrl costs 59.301 real_cost = 94.795 model2.ts-submitted costs 59.301 real_cost = 96.840 model1-scwrl costs 46.728 real_cost = 90.079 model1.ts-submitted costs 46.728 real_cost = 92.401 2hh6A costs 23.647 real_cost = -891.600 # command:CPU_time= 320.937 sec, elapsed time= 579.618 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/T0283'