make[1]: Entering directory `/projects/compbio/experiments/protein-predict/casp7/T0329' /projects/compbio/experiments/protein-predict/casp7/starter-directory/Make.main:725: SECONDARY_TARGET = T0329.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/T0329.} ;\ 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/T0329/ -e s/START_COL/1/ \ -e s/COSTFCN/anglevector/ \ -e s/_domain// \ -e s/read-pdb/read-pdb+servers/ \ -e s/REAL_PDB/2hi0A/ \ < /projects/compbio/experiments/protein-predict/casp7/starter-directory/evaluate.under \ | nice -2 /cse/grads/jarchie/projects/cvs/karplus/undertaker/undertaker # command:# Seed set to 1183341015 # 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= 6.781 sec, elapsed time= 6.841 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= 6.870 sec, elapsed time= 6.955 sec. # command:# Prefix for input files set to # command:# Making conformation for sequence T0329 numbered 1 through 239 Created new target T0329 from T0329.a2m # command:# command:# No conformations to remove in PopConform # command:# cleared Id set # command:# command:2hi0A expands to /projects/compbio/data/pdb/2hi0.pdb.gz 2hi0A: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 174, because occupancy 0.5 <= existing 0.500 in 2hi0A Skipped atom 178, because occupancy 0.500 <= existing 0.500 in 2hi0A Skipped atom 180, because occupancy 0.500 <= existing 0.500 in 2hi0A Skipped atom 271, because occupancy 0.500 <= existing 0.500 in 2hi0A Skipped atom 275, because occupancy 0.500 <= existing 0.500 in 2hi0A Skipped atom 277, because occupancy 0.500 <= existing 0.500 in 2hi0A Skipped atom 279, because occupancy 0.500 <= existing 0.500 in 2hi0A Skipped atom 281, because occupancy 0.500 <= existing 0.500 in 2hi0A Skipped atom 283, because occupancy 0.500 <= existing 0.500 in 2hi0A Skipped atom 285, because occupancy 0.500 <= existing 0.500 in 2hi0A Skipped atom 287, because occupancy 0.500 <= existing 0.500 in 2hi0A Skipped atom 332, because occupancy 0.500 <= existing 0.500 in 2hi0A Skipped atom 334, because occupancy 0.500 <= existing 0.500 in 2hi0A Skipped atom 336, because occupancy 0.500 <= existing 0.500 in 2hi0A Skipped atom 338, because occupancy 0.500 <= existing 0.500 in 2hi0A Skipped atom 340, because occupancy 0.500 <= existing 0.500 in 2hi0A Skipped atom 342, because occupancy 0.500 <= existing 0.500 in 2hi0A Skipped atom 344, because occupancy 0.500 <= existing 0.500 in 2hi0A Skipped atom 346, because occupancy 0.500 <= existing 0.500 in 2hi0A Skipped atom 348, because occupancy 0.500 <= existing 0.500 in 2hi0A Skipped atom 542, because occupancy 0.500 <= existing 0.500 in 2hi0A Skipped atom 546, because occupancy 0.500 <= existing 0.500 in 2hi0A Skipped atom 548, because occupancy 0.500 <= existing 0.500 in 2hi0A Skipped atom 550, because occupancy 0.500 <= existing 0.500 in 2hi0A Skipped atom 552, because occupancy 0.500 <= existing 0.500 in 2hi0A Skipped atom 554, because occupancy 0.500 <= existing 0.500 in 2hi0A 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 1331, because occupancy 0.500 <= existing 0.500 in 2hi0A Skipped atom 1333, because occupancy 0.500 <= existing 0.500 in 2hi0A Skipped atom 1335, because occupancy 0.500 <= existing 0.500 in 2hi0A Skipped atom 1337, because occupancy 0.500 <= existing 0.500 in 2hi0A Skipped atom 1339, because occupancy 0.500 <= existing 0.500 in 2hi0A Skipped atom 1341, because occupancy 0.500 <= existing 0.500 in 2hi0A Skipped atom 1343, because occupancy 0.500 <= existing 0.500 in 2hi0A Skipped atom 1351, because occupancy 0.500 <= existing 0.500 in 2hi0A Skipped atom 1353, because occupancy 0.500 <= existing 0.500 in 2hi0A Skipped atom 1355, because occupancy 0.500 <= existing 0.500 in 2hi0A Skipped atom 1357, because occupancy 0.500 <= existing 0.500 in 2hi0A Skipped atom 1359, because occupancy 0.500 <= existing 0.500 in 2hi0A Skipped atom 1361, because occupancy 0.500 <= existing 0.500 in 2hi0A Skipped atom 1363, because occupancy 0.500 <= existing 0.500 in 2hi0A Skipped atom 1365, because occupancy 0.500 <= existing 0.500 in 2hi0A Skipped atom 1367, because occupancy 0.500 <= existing 0.500 in 2hi0A 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 240 residues and 1837 atoms. # choosing archetypes in rotamer library # WARNING: incomplete conformation T0329 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= 12.255 sec, elapsed time= 12.579 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 222 # 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 = -51.778 # GDT_score(maxd=8.000,maxw=2.900)= -52.906 # GDT_score(maxd=8.000,maxw=3.200)= -50.093 # GDT_score(maxd=8.000,maxw=3.500)= -47.436 # GDT_score(maxd=10.000,maxw=3.800)= -50.453 # GDT_score(maxd=10.000,maxw=4.000)= -48.726 # GDT_score(maxd=10.000,maxw=4.200)= -47.049 # GDT_score(maxd=12.000,maxw=4.300)= -50.832 # GDT_score(maxd=12.000,maxw=4.500)= -49.153 # GDT_score(maxd=12.000,maxw=4.700)= -47.518 # GDT_score(maxd=14.000,maxw=5.200)= -47.343 # GDT_score(maxd=14.000,maxw=5.500)= -45.154 # command:# Prefix for output files set to # command:Warning: Couldn't open file T0329.model1-real.pdb for output Error: Couldn't open file T0329.model1-real.pdb for output superimposing iter= 0 total_weight= 2788.000 rmsd (weighted)= 8.564 (unweighted)= 11.210 superimposing iter= 1 total_weight= 7091.287 rmsd (weighted)= 3.778 (unweighted)= 11.438 superimposing iter= 2 total_weight= 4050.984 rmsd (weighted)= 2.377 (unweighted)= 11.674 superimposing iter= 3 total_weight= 2994.319 rmsd (weighted)= 1.782 (unweighted)= 11.854 superimposing iter= 4 total_weight= 2460.299 rmsd (weighted)= 1.497 (unweighted)= 11.972 superimposing iter= 5 total_weight= 2117.313 rmsd (weighted)= 1.372 (unweighted)= 12.039 EXPDTA model1.ts-submitted MODEL 1 REMARK 44 REMARK 44 model 1 is called model1.ts-submitted ATOM 1 N MET A 1 22.351 -4.366 34.036 1.00 0.00 ATOM 2 CA MET A 1 20.933 -3.923 34.066 1.00 0.00 ATOM 3 CB MET A 1 20.635 -2.890 35.141 1.00 0.00 ATOM 4 CG MET A 1 20.795 -3.544 36.501 1.00 0.00 ATOM 5 SD MET A 1 20.314 -2.488 37.910 1.00 0.00 ATOM 6 CE MET A 1 18.653 -1.973 37.576 1.00 0.00 ATOM 7 O MET A 1 21.442 -2.388 32.469 1.00 0.00 ATOM 8 C MET A 1 20.627 -3.216 32.770 1.00 0.00 ATOM 9 N LYS A 2 19.420 -3.393 32.213 1.00 0.00 ATOM 10 CA LYS A 2 19.032 -2.747 30.963 1.00 0.00 ATOM 11 CB LYS A 2 18.139 -3.673 30.126 1.00 0.00 ATOM 12 CG LYS A 2 18.828 -4.935 29.622 1.00 0.00 ATOM 13 CD LYS A 2 17.893 -5.781 28.761 1.00 0.00 ATOM 14 CE LYS A 2 18.598 -7.027 28.233 1.00 0.00 ATOM 15 NZ LYS A 2 17.759 -7.819 27.289 1.00 0.00 ATOM 16 O LYS A 2 17.809 -0.802 30.304 1.00 0.00 ATOM 17 C LYS A 2 18.313 -1.425 31.232 1.00 0.00 ATOM 18 N TYR A 3 18.224 -1.022 32.482 1.00 0.00 ATOM 19 CA TYR A 3 17.537 0.233 32.847 1.00 0.00 ATOM 20 CB TYR A 3 16.176 -0.039 33.499 1.00 0.00 ATOM 21 CG TYR A 3 15.263 -0.792 32.531 1.00 0.00 ATOM 22 CD1 TYR A 3 14.453 -0.143 31.611 1.00 0.00 ATOM 23 CD2 TYR A 3 15.284 -2.164 32.525 1.00 0.00 ATOM 24 CE1 TYR A 3 13.692 -0.853 30.695 1.00 0.00 ATOM 25 CE2 TYR A 3 14.524 -2.856 31.591 1.00 0.00 ATOM 26 CZ TYR A 3 13.718 -2.233 30.687 1.00 0.00 ATOM 27 OH TYR A 3 13.112 -3.008 29.739 1.00 0.00 ATOM 28 O TYR A 3 19.157 0.473 34.612 1.00 0.00 ATOM 29 C TYR A 3 18.416 1.029 33.813 1.00 0.00 ATOM 30 N LYS A 4 18.483 2.314 33.533 1.00 0.00 ATOM 31 CA LYS A 4 19.175 3.259 34.421 1.00 0.00 ATOM 32 CB LYS A 4 20.287 4.023 33.698 1.00 0.00 ATOM 33 CG LYS A 4 21.436 3.124 33.207 1.00 0.00 ATOM 34 CD LYS A 4 22.495 3.974 32.521 1.00 0.00 ATOM 35 CE LYS A 4 23.623 3.099 31.966 1.00 0.00 ATOM 36 NZ LYS A 4 24.674 3.912 31.344 1.00 0.00 ATOM 37 O LYS A 4 18.660 5.105 35.845 1.00 0.00 ATOM 38 C LYS A 4 18.250 4.333 34.982 1.00 0.00 ATOM 39 N ALA A 5 16.952 4.342 34.476 1.00 0.00 ATOM 40 CA ALA A 5 16.025 5.353 34.982 1.00 0.00 ATOM 41 CB ALA A 5 16.015 6.630 34.146 1.00 0.00 ATOM 42 O ALA A 5 14.153 4.065 34.133 1.00 0.00 ATOM 43 C ALA A 5 14.625 4.713 35.057 1.00 0.00 ATOM 44 N ALA A 6 13.919 5.110 36.108 1.00 0.00 ATOM 45 CA ALA A 6 12.516 4.743 36.349 1.00 0.00 ATOM 46 CB ALA A 6 12.425 3.830 37.556 1.00 0.00 ATOM 47 O ALA A 6 11.992 6.787 37.515 1.00 0.00 ATOM 48 C ALA A 6 11.682 5.992 36.627 1.00 0.00 ATOM 49 N ILE A 7 10.705 6.216 35.755 1.00 0.00 ATOM 50 CA ILE A 7 9.818 7.384 35.865 1.00 0.00 ATOM 51 CB ILE A 7 9.748 8.150 34.528 1.00 0.00 ATOM 52 CG1 ILE A 7 11.113 8.755 34.215 1.00 0.00 ATOM 53 CG2 ILE A 7 8.768 9.318 34.650 1.00 0.00 ATOM 54 CD1 ILE A 7 11.311 9.063 32.729 1.00 0.00 ATOM 55 O ILE A 7 7.933 5.909 35.920 1.00 0.00 ATOM 56 C ILE A 7 8.409 7.000 36.266 1.00 0.00 ATOM 57 N PHE A 8 7.781 7.882 37.054 1.00 0.00 ATOM 58 CA PHE A 8 6.431 7.660 37.566 1.00 0.00 ATOM 59 CB PHE A 8 6.426 7.551 39.092 1.00 0.00 ATOM 60 CG PHE A 8 7.289 6.383 39.610 1.00 0.00 ATOM 61 CD1 PHE A 8 6.761 5.122 39.787 1.00 0.00 ATOM 62 CD2 PHE A 8 8.615 6.604 39.933 1.00 0.00 ATOM 63 CE1 PHE A 8 7.587 4.134 40.284 1.00 0.00 ATOM 64 CE2 PHE A 8 9.448 5.599 40.417 1.00 0.00 ATOM 65 CZ PHE A 8 8.919 4.339 40.593 1.00 0.00 ATOM 66 O PHE A 8 5.910 9.977 37.124 1.00 0.00 ATOM 67 C PHE A 8 5.503 8.815 37.205 1.00 0.00 ATOM 68 N ASP A 9 4.234 8.470 36.941 1.00 0.00 ATOM 69 CA ASP A 9 3.221 9.520 36.779 1.00 0.00 ATOM 70 CB ASP A 9 2.060 8.927 35.971 1.00 0.00 ATOM 71 CG ASP A 9 1.235 9.978 35.215 1.00 0.00 ATOM 72 OD1 ASP A 9 1.524 11.190 35.363 1.00 0.00 ATOM 73 OD2 ASP A 9 0.339 9.596 34.435 1.00 0.00 ATOM 74 O ASP A 9 3.317 9.297 39.185 1.00 0.00 ATOM 75 C ASP A 9 2.828 9.886 38.221 1.00 0.00 ATOM 76 N MET A 10 1.987 10.903 38.389 1.00 0.00 ATOM 77 CA MET A 10 1.609 11.353 39.744 1.00 0.00 ATOM 78 CB MET A 10 1.730 12.874 39.762 1.00 0.00 ATOM 79 CG MET A 10 1.860 13.440 41.019 1.00 0.00 ATOM 80 SD MET A 10 2.597 15.187 40.845 1.00 0.00 ATOM 81 CE MET A 10 2.297 15.529 42.540 1.00 0.00 ATOM 82 O MET A 10 0.142 9.992 41.065 1.00 0.00 ATOM 83 C MET A 10 0.228 10.844 40.190 1.00 0.00 ATOM 84 N ASP A 11 -0.791 11.534 39.710 1.00 0.00 ATOM 85 CA ASP A 11 -2.167 11.223 40.102 1.00 0.00 ATOM 86 CB ASP A 11 -3.076 12.323 39.578 1.00 0.00 ATOM 87 CG ASP A 11 -4.511 12.163 40.054 1.00 0.00 ATOM 88 OD1 ASP A 11 -4.821 11.144 40.691 1.00 0.00 ATOM 89 OD2 ASP A 11 -5.224 13.069 39.583 1.00 0.00 ATOM 90 O ASP A 11 -2.527 9.546 38.388 1.00 0.00 ATOM 91 C ASP A 11 -2.586 9.852 39.590 1.00 0.00 ATOM 92 N GLY A 12 -3.036 9.026 40.528 1.00 0.00 ATOM 93 CA GLY A 12 -3.480 7.669 40.188 1.00 0.00 ATOM 94 O GLY A 12 -2.609 5.441 39.940 1.00 0.00 ATOM 95 C GLY A 12 -2.346 6.638 40.024 1.00 0.00 ATOM 96 N THR A 13 -1.112 7.109 40.170 1.00 0.00 ATOM 97 CA THR A 13 0.052 6.204 40.237 1.00 0.00 ATOM 98 CB THR A 13 1.128 6.546 39.180 1.00 0.00 ATOM 99 CG2 THR A 13 2.284 5.538 39.208 1.00 0.00 ATOM 100 OG1 THR A 13 0.549 6.511 37.882 1.00 0.00 ATOM 101 O THR A 13 0.898 5.208 42.262 1.00 0.00 ATOM 102 C THR A 13 0.636 6.245 41.652 1.00 0.00 ATOM 103 N ILE A 14 0.911 7.467 42.103 1.00 0.00 ATOM 104 CA ILE A 14 1.436 7.723 43.460 1.00 0.00 ATOM 105 CB ILE A 14 2.624 8.692 43.419 1.00 0.00 ATOM 106 CG1 ILE A 14 3.781 8.127 42.570 1.00 0.00 ATOM 107 CG2 ILE A 14 3.107 8.997 44.842 1.00 0.00 ATOM 108 CD1 ILE A 14 4.923 9.134 42.338 1.00 0.00 ATOM 109 O ILE A 14 0.042 7.808 45.419 1.00 0.00 ATOM 110 C ILE A 14 0.301 8.285 44.307 1.00 0.00 ATOM 111 N LEU A 15 -0.376 9.345 43.885 1.00 0.00 ATOM 112 CA LEU A 15 -1.489 9.956 44.600 1.00 0.00 ATOM 113 CB LEU A 15 -1.738 11.381 44.099 1.00 0.00 ATOM 114 CG LEU A 15 -2.847 12.137 44.839 1.00 0.00 ATOM 115 CD1 LEU A 15 -2.491 12.389 46.307 1.00 0.00 ATOM 116 CD2 LEU A 15 -3.071 13.476 44.130 1.00 0.00 ATOM 117 O LEU A 15 -3.145 8.801 43.290 1.00 0.00 ATOM 118 C LEU A 15 -2.709 9.069 44.415 1.00 0.00 ATOM 119 N ASP A 16 -3.293 8.613 45.456 1.00 0.00 ATOM 120 CA ASP A 16 -4.465 7.750 45.440 1.00 0.00 ATOM 121 CB ASP A 16 -4.802 7.262 46.856 1.00 0.00 ATOM 122 CG ASP A 16 -5.971 6.263 46.938 1.00 0.00 ATOM 123 OD1 ASP A 16 -6.427 5.750 45.889 1.00 0.00 ATOM 124 OD2 ASP A 16 -6.349 5.938 48.077 1.00 0.00 ATOM 125 O ASP A 16 -6.192 9.427 45.165 1.00 0.00 ATOM 126 C ASP A 16 -5.680 8.391 44.746 1.00 0.00 ATOM 127 N THR A 17 -6.243 7.625 43.824 1.00 0.00 ATOM 128 CA THR A 17 -7.526 7.947 43.167 1.00 0.00 ATOM 129 CB THR A 17 -7.909 6.860 42.152 1.00 0.00 ATOM 130 CG2 THR A 17 -9.191 7.224 41.379 1.00 0.00 ATOM 131 OG1 THR A 17 -6.827 6.630 41.250 1.00 0.00 ATOM 132 O THR A 17 -9.503 8.988 44.096 1.00 0.00 ATOM 133 C THR A 17 -8.678 8.069 44.188 1.00 0.00 ATOM 134 N SER A 18 -8.759 7.130 45.125 1.00 0.00 ATOM 135 CA SER A 18 -9.808 7.153 46.170 1.00 0.00 ATOM 136 CB SER A 18 -9.680 5.947 47.094 1.00 0.00 ATOM 137 OG SER A 18 -9.989 4.747 46.382 1.00 0.00 ATOM 138 O SER A 18 -10.606 8.996 47.473 1.00 0.00 ATOM 139 C SER A 18 -9.612 8.388 47.007 1.00 0.00 ATOM 140 N ALA A 19 -8.347 8.792 47.209 1.00 0.00 ATOM 141 CA ALA A 19 -8.038 10.003 47.955 1.00 0.00 ATOM 142 CB ALA A 19 -6.513 9.918 47.976 1.00 0.00 ATOM 143 O ALA A 19 -9.114 12.147 47.905 1.00 0.00 ATOM 144 C ALA A 19 -8.501 11.288 47.279 1.00 0.00 ATOM 145 N ASP A 20 -8.231 11.424 45.980 1.00 0.00 ATOM 146 CA ASP A 20 -8.605 12.608 45.212 1.00 0.00 ATOM 147 CB ASP A 20 -8.055 12.511 43.796 1.00 0.00 ATOM 148 CG ASP A 20 -6.533 12.646 43.781 1.00 0.00 ATOM 149 OD1 ASP A 20 -5.963 13.126 44.785 1.00 0.00 ATOM 150 OD2 ASP A 20 -5.990 12.445 42.698 1.00 0.00 ATOM 151 O ASP A 20 -10.630 13.888 45.428 1.00 0.00 ATOM 152 C ASP A 20 -10.117 12.802 45.169 1.00 0.00 ATOM 153 N LEU A 21 -10.816 11.738 44.824 1.00 0.00 ATOM 154 CA LEU A 21 -12.267 11.750 44.741 1.00 0.00 ATOM 155 CB LEU A 21 -12.811 10.400 44.300 1.00 0.00 ATOM 156 CG LEU A 21 -12.584 10.098 42.812 1.00 0.00 ATOM 157 CD1 LEU A 21 -12.825 8.623 42.534 1.00 0.00 ATOM 158 CD2 LEU A 21 -13.503 10.964 41.968 1.00 0.00 ATOM 159 O LEU A 21 -13.796 12.924 46.186 1.00 0.00 ATOM 160 C LEU A 21 -12.934 12.050 46.091 1.00 0.00 ATOM 161 N THR A 22 -12.532 11.311 47.133 1.00 0.00 ATOM 162 CA THR A 22 -13.107 11.466 48.470 1.00 0.00 ATOM 163 CB THR A 22 -12.534 10.436 49.468 1.00 0.00 ATOM 164 CG2 THR A 22 -13.109 10.558 50.885 1.00 0.00 ATOM 165 OG1 THR A 22 -12.965 9.170 49.030 1.00 0.00 ATOM 166 O THR A 22 -13.736 13.420 49.673 1.00 0.00 ATOM 167 C THR A 22 -12.858 12.865 49.037 1.00 0.00 ATOM 168 N SER A 23 -11.653 13.359 48.814 1.00 0.00 ATOM 169 CA SER A 23 -11.278 14.653 49.420 1.00 0.00 ATOM 170 CB SER A 23 -9.881 14.592 49.930 1.00 0.00 ATOM 171 OG SER A 23 -9.525 15.817 50.575 1.00 0.00 ATOM 172 O SER A 23 -12.102 16.794 48.692 1.00 0.00 ATOM 173 C SER A 23 -11.207 15.936 48.600 1.00 0.00 ATOM 174 N ALA A 24 -10.057 15.944 47.766 1.00 0.00 ATOM 175 CA ALA A 24 -9.828 17.138 46.961 1.00 0.00 ATOM 176 CB ALA A 24 -8.714 16.833 45.988 1.00 0.00 ATOM 177 O ALA A 24 -11.454 18.721 46.280 1.00 0.00 ATOM 178 C ALA A 24 -11.075 17.552 46.198 1.00 0.00 ATOM 179 N LEU A 25 -11.670 16.645 45.512 1.00 0.00 ATOM 180 CA LEU A 25 -12.867 17.012 44.735 1.00 0.00 ATOM 181 CB LEU A 25 -13.260 15.874 43.804 1.00 0.00 ATOM 182 CG LEU A 25 -12.256 15.521 42.696 1.00 0.00 ATOM 183 CD1 LEU A 25 -12.872 14.429 41.826 1.00 0.00 ATOM 184 CD2 LEU A 25 -11.889 16.716 41.818 1.00 0.00 ATOM 185 O LEU A 25 -14.463 18.519 45.654 1.00 0.00 ATOM 186 C LEU A 25 -13.995 17.389 45.708 1.00 0.00 ATOM 187 N ASN A 26 -14.195 16.619 46.766 1.00 0.00 ATOM 188 CA ASN A 26 -15.337 16.878 47.668 1.00 0.00 ATOM 189 CB ASN A 26 -15.712 15.639 48.462 1.00 0.00 ATOM 190 CG ASN A 26 -17.129 15.762 49.020 1.00 0.00 ATOM 191 ND2 ASN A 26 -17.201 15.788 50.312 1.00 0.00 ATOM 192 OD1 ASN A 26 -18.123 15.861 48.304 1.00 0.00 ATOM 193 O ASN A 26 -16.168 18.933 48.562 1.00 0.00 ATOM 194 C ASN A 26 -15.249 18.121 48.578 1.00 0.00 ATOM 195 N TYR A 27 -14.134 18.308 49.280 1.00 0.00 ATOM 196 CA TYR A 27 -13.933 19.498 50.129 1.00 0.00 ATOM 197 CB TYR A 27 -12.641 19.451 50.942 1.00 0.00 ATOM 198 CG TYR A 27 -12.671 18.430 52.075 1.00 0.00 ATOM 199 CD1 TYR A 27 -12.012 17.226 51.952 1.00 0.00 ATOM 200 CD2 TYR A 27 -13.349 18.733 53.246 1.00 0.00 ATOM 201 CE1 TYR A 27 -12.023 16.308 52.992 1.00 0.00 ATOM 202 CE2 TYR A 27 -13.374 17.818 54.290 1.00 0.00 ATOM 203 CZ TYR A 27 -12.697 16.601 54.159 1.00 0.00 ATOM 204 OH TYR A 27 -12.684 15.720 55.194 1.00 0.00 ATOM 205 O TYR A 27 -14.466 21.815 49.694 1.00 0.00 ATOM 206 C TYR A 27 -13.908 20.788 49.294 1.00 0.00 ATOM 207 N ALA A 28 -13.271 20.734 48.129 1.00 0.00 ATOM 208 CA ALA A 28 -13.214 21.894 47.236 1.00 0.00 ATOM 209 CB ALA A 28 -12.265 21.614 46.074 1.00 0.00 ATOM 210 O ALA A 28 -14.956 23.463 46.791 1.00 0.00 ATOM 211 C ALA A 28 -14.599 22.288 46.702 1.00 0.00 ATOM 212 N PHE A 29 -15.402 21.277 46.385 1.00 0.00 ATOM 213 CA PHE A 29 -16.793 21.496 45.916 1.00 0.00 ATOM 214 CB PHE A 29 -17.492 20.206 45.509 1.00 0.00 ATOM 215 CG PHE A 29 -16.951 19.647 44.217 1.00 0.00 ATOM 216 CD1 PHE A 29 -16.630 20.462 43.133 1.00 0.00 ATOM 217 CD2 PHE A 29 -16.623 18.310 44.174 1.00 0.00 ATOM 218 CE1 PHE A 29 -16.022 19.955 42.009 1.00 0.00 ATOM 219 CE2 PHE A 29 -15.933 17.845 43.074 1.00 0.00 ATOM 220 CZ PHE A 29 -15.672 18.623 41.984 1.00 0.00 ATOM 221 O PHE A 29 -18.428 23.050 46.779 1.00 0.00 ATOM 222 C PHE A 29 -17.641 22.138 47.024 1.00 0.00 ATOM 223 N GLU A 30 -17.504 21.603 48.217 1.00 0.00 ATOM 224 CA GLU A 30 -18.262 22.107 49.362 1.00 0.00 ATOM 225 CB GLU A 30 -17.923 21.265 50.589 1.00 0.00 ATOM 226 CG GLU A 30 -18.524 19.861 50.522 1.00 0.00 ATOM 227 CD GLU A 30 -18.134 18.979 51.706 1.00 0.00 ATOM 228 OE1 GLU A 30 -17.389 19.408 52.605 1.00 0.00 ATOM 229 OE2 GLU A 30 -18.538 17.812 51.668 1.00 0.00 ATOM 230 O GLU A 30 -18.738 24.410 49.840 1.00 0.00 ATOM 231 C GLU A 30 -17.865 23.568 49.663 1.00 0.00 ATOM 232 N GLN A 31 -16.575 23.865 49.619 1.00 0.00 ATOM 233 CA GLN A 31 -16.119 25.215 49.800 1.00 0.00 ATOM 234 CB GLN A 31 -14.606 25.268 49.837 1.00 0.00 ATOM 235 CG GLN A 31 -14.045 24.654 51.103 1.00 0.00 ATOM 236 CD GLN A 31 -12.525 24.707 51.102 1.00 0.00 ATOM 237 OE1 GLN A 31 -11.936 25.524 50.396 1.00 0.00 ATOM 238 NE2 GLN A 31 -11.921 23.866 51.921 1.00 0.00 ATOM 239 O GLN A 31 -17.055 27.274 48.947 1.00 0.00 ATOM 240 C GLN A 31 -16.624 26.138 48.687 1.00 0.00 ATOM 241 N THR A 32 -16.576 25.691 47.428 1.00 0.00 ATOM 242 CA THR A 32 -17.114 26.477 46.323 1.00 0.00 ATOM 243 CB THR A 32 -16.873 25.766 44.983 1.00 0.00 ATOM 244 CG2 THR A 32 -17.407 26.605 43.820 1.00 0.00 ATOM 245 OG1 THR A 32 -15.465 25.549 44.794 1.00 0.00 ATOM 246 O THR A 32 -19.106 27.875 46.497 1.00 0.00 ATOM 247 C THR A 32 -18.614 26.750 46.559 1.00 0.00 ATOM 248 N GLY A 33 -19.400 25.641 46.887 1.00 0.00 ATOM 249 CA GLY A 33 -20.820 25.794 47.092 1.00 0.00 ATOM 250 O GLY A 33 -22.268 27.423 48.073 1.00 0.00 ATOM 251 C GLY A 33 -21.333 26.624 48.227 1.00 0.00 ATOM 252 N HIS A 34 -20.719 26.346 49.372 1.00 0.00 ATOM 253 CA HIS A 34 -21.107 26.995 50.622 1.00 0.00 ATOM 254 CB HIS A 34 -21.035 28.525 50.415 1.00 0.00 ATOM 255 CG HIS A 34 -19.641 29.020 50.058 1.00 0.00 ATOM 256 CD2 HIS A 34 -19.204 29.561 48.918 1.00 0.00 ATOM 257 ND1 HIS A 34 -18.675 29.115 50.947 1.00 0.00 ATOM 258 CE1 HIS A 34 -17.644 29.707 50.355 1.00 0.00 ATOM 259 NE2 HIS A 34 -17.960 29.982 49.102 1.00 0.00 ATOM 260 O HIS A 34 -22.754 25.276 51.042 1.00 0.00 ATOM 261 C HIS A 34 -22.516 26.483 50.980 1.00 0.00 ATOM 262 N ARG A 35 -23.463 27.394 51.100 1.00 0.00 ATOM 263 CA ARG A 35 -24.831 26.966 51.407 1.00 0.00 ATOM 264 CB ARG A 35 -25.145 27.449 52.873 1.00 0.00 ATOM 265 CG ARG A 35 -24.248 26.714 53.858 1.00 0.00 ATOM 266 CD ARG A 35 -24.713 26.854 55.300 1.00 0.00 ATOM 267 NE ARG A 35 -26.116 27.198 55.444 1.00 0.00 ATOM 268 CZ ARG A 35 -26.634 28.309 55.958 1.00 0.00 ATOM 269 NH1 ARG A 35 -25.853 29.272 56.424 1.00 0.00 ATOM 270 NH2 ARG A 35 -27.956 28.463 56.015 1.00 0.00 ATOM 271 O ARG A 35 -26.970 26.841 50.321 1.00 0.00 ATOM 272 C ARG A 35 -25.769 27.049 50.183 1.00 0.00 ATOM 273 N HIS A 36 -25.172 27.074 48.987 1.00 0.00 ATOM 274 CA HIS A 36 -25.916 26.864 47.729 1.00 0.00 ATOM 275 CB HIS A 36 -24.946 26.869 46.554 1.00 0.00 ATOM 276 CG HIS A 36 -25.065 28.237 45.936 1.00 0.00 ATOM 277 CD2 HIS A 36 -24.119 29.144 45.837 1.00 0.00 ATOM 278 ND1 HIS A 36 -26.215 28.758 45.545 1.00 0.00 ATOM 279 CE1 HIS A 36 -25.990 30.009 45.189 1.00 0.00 ATOM 280 NE2 HIS A 36 -24.693 30.243 45.375 1.00 0.00 ATOM 281 O HIS A 36 -25.874 24.470 47.916 1.00 0.00 ATOM 282 C HIS A 36 -26.561 25.475 47.725 1.00 0.00 ATOM 283 N ASP A 37 -27.939 25.459 47.533 1.00 0.00 ATOM 284 CA ASP A 37 -28.673 24.192 47.540 1.00 0.00 ATOM 285 CB ASP A 37 -30.155 24.541 47.770 1.00 0.00 ATOM 286 CG ASP A 37 -31.060 23.320 48.009 1.00 0.00 ATOM 287 OD1 ASP A 37 -30.772 22.548 48.959 1.00 0.00 ATOM 288 OD2 ASP A 37 -32.016 23.129 47.222 1.00 0.00 ATOM 289 O ASP A 37 -29.368 22.845 45.624 1.00 0.00 ATOM 290 C ASP A 37 -28.452 23.248 46.336 1.00 0.00 ATOM 291 N PHE A 38 -27.187 22.927 46.075 1.00 0.00 ATOM 292 CA PHE A 38 -26.807 21.931 45.064 1.00 0.00 ATOM 293 CB PHE A 38 -25.976 22.603 43.956 1.00 0.00 ATOM 294 CG PHE A 38 -26.683 23.820 43.341 1.00 0.00 ATOM 295 CD1 PHE A 38 -26.408 25.113 43.738 1.00 0.00 ATOM 296 CD2 PHE A 38 -27.712 23.650 42.448 1.00 0.00 ATOM 297 CE1 PHE A 38 -27.154 26.173 43.233 1.00 0.00 ATOM 298 CE2 PHE A 38 -28.464 24.674 41.910 1.00 0.00 ATOM 299 CZ PHE A 38 -28.189 25.964 42.318 1.00 0.00 ATOM 300 O PHE A 38 -25.211 21.054 46.654 1.00 0.00 ATOM 301 C PHE A 38 -26.042 20.801 45.778 1.00 0.00 ATOM 302 N THR A 39 -26.412 19.559 45.485 1.00 0.00 ATOM 303 CA THR A 39 -25.758 18.418 46.133 1.00 0.00 ATOM 304 CB THR A 39 -26.418 17.075 45.770 1.00 0.00 ATOM 305 CG2 THR A 39 -25.759 15.934 46.547 1.00 0.00 ATOM 306 OG1 THR A 39 -27.800 17.121 46.108 1.00 0.00 ATOM 307 O THR A 39 -23.969 18.500 44.523 1.00 0.00 ATOM 308 C THR A 39 -24.294 18.432 45.704 1.00 0.00 ATOM 309 N VAL A 40 -23.411 18.436 46.698 1.00 0.00 ATOM 310 CA VAL A 40 -21.951 18.441 46.447 1.00 0.00 ATOM 311 CB VAL A 40 -21.081 18.384 47.710 1.00 0.00 ATOM 312 CG1 VAL A 40 -21.250 19.714 48.437 1.00 0.00 ATOM 313 CG2 VAL A 40 -21.389 17.212 48.649 1.00 0.00 ATOM 314 O VAL A 40 -20.741 17.382 44.671 1.00 0.00 ATOM 315 C VAL A 40 -21.563 17.244 45.564 1.00 0.00 ATOM 316 N GLU A 41 -22.138 16.078 45.836 1.00 0.00 ATOM 317 CA GLU A 41 -21.811 14.907 45.032 1.00 0.00 ATOM 318 CB GLU A 41 -22.581 13.746 45.624 1.00 0.00 ATOM 319 CG GLU A 41 -22.040 13.257 46.971 1.00 0.00 ATOM 320 CD GLU A 41 -22.789 12.023 47.504 1.00 0.00 ATOM 321 OE1 GLU A 41 -23.780 11.583 46.882 1.00 0.00 ATOM 322 OE2 GLU A 41 -22.305 11.524 48.551 1.00 0.00 ATOM 323 O GLU A 41 -21.448 14.805 42.648 1.00 0.00 ATOM 324 C GLU A 41 -22.205 15.124 43.569 1.00 0.00 ATOM 325 N ASP A 42 -23.329 15.809 43.380 1.00 0.00 ATOM 326 CA ASP A 42 -23.804 16.185 42.037 1.00 0.00 ATOM 327 CB ASP A 42 -25.166 16.887 42.115 1.00 0.00 ATOM 328 CG ASP A 42 -26.294 15.933 42.484 1.00 0.00 ATOM 329 OD1 ASP A 42 -26.114 14.713 42.280 1.00 0.00 ATOM 330 OD2 ASP A 42 -27.384 16.466 42.762 1.00 0.00 ATOM 331 O ASP A 42 -22.522 16.959 40.155 1.00 0.00 ATOM 332 C ASP A 42 -22.833 17.142 41.340 1.00 0.00 ATOM 333 N ILE A 43 -22.352 18.161 42.074 1.00 0.00 ATOM 334 CA ILE A 43 -21.313 19.039 41.555 1.00 0.00 ATOM 335 CB ILE A 43 -21.012 20.188 42.533 1.00 0.00 ATOM 336 CG1 ILE A 43 -22.254 21.051 42.753 1.00 0.00 ATOM 337 CG2 ILE A 43 -19.846 21.049 42.030 1.00 0.00 ATOM 338 CD1 ILE A 43 -22.155 22.065 43.892 1.00 0.00 ATOM 339 O ILE A 43 -19.387 18.377 40.223 1.00 0.00 ATOM 340 C ILE A 43 -20.019 18.249 41.266 1.00 0.00 ATOM 341 N LYS A 44 -19.709 17.304 42.134 1.00 0.00 ATOM 342 CA LYS A 44 -18.507 16.461 41.976 1.00 0.00 ATOM 343 CB LYS A 44 -18.418 15.483 43.149 1.00 0.00 ATOM 344 CG LYS A 44 -17.145 14.640 43.056 1.00 0.00 ATOM 345 CD LYS A 44 -16.812 13.883 44.309 1.00 0.00 ATOM 346 CE LYS A 44 -17.821 12.753 44.321 1.00 0.00 ATOM 347 NZ LYS A 44 -17.579 11.919 45.484 1.00 0.00 ATOM 348 O LYS A 44 -17.574 15.575 39.956 1.00 0.00 ATOM 349 C LYS A 44 -18.550 15.630 40.699 1.00 0.00 ATOM 350 N ASN A 45 -19.670 15.032 40.474 1.00 0.00 ATOM 351 CA ASN A 45 -19.813 14.212 39.276 1.00 0.00 ATOM 352 CB ASN A 45 -21.198 13.610 39.328 1.00 0.00 ATOM 353 CG ASN A 45 -21.318 12.544 40.389 1.00 0.00 ATOM 354 ND2 ASN A 45 -22.512 12.227 40.735 1.00 0.00 ATOM 355 OD1 ASN A 45 -20.366 11.949 40.826 1.00 0.00 ATOM 356 O ASN A 45 -18.939 14.647 37.101 1.00 0.00 ATOM 357 C ASN A 45 -19.703 15.020 37.998 1.00 0.00 ATOM 358 N PHE A 46 -20.375 16.174 38.009 1.00 0.00 ATOM 359 CA PHE A 46 -20.344 17.063 36.846 1.00 0.00 ATOM 360 CB PHE A 46 -20.981 18.388 37.182 1.00 0.00 ATOM 361 CG PHE A 46 -21.045 19.298 36.008 1.00 0.00 ATOM 362 CD1 PHE A 46 -21.921 19.007 34.958 1.00 0.00 ATOM 363 CD2 PHE A 46 -20.280 20.451 35.906 1.00 0.00 ATOM 364 CE1 PHE A 46 -22.025 19.798 33.851 1.00 0.00 ATOM 365 CE2 PHE A 46 -20.391 21.255 34.791 1.00 0.00 ATOM 366 CZ PHE A 46 -21.254 20.940 33.743 1.00 0.00 ATOM 367 O PHE A 46 -18.437 17.510 35.451 1.00 0.00 ATOM 368 C PHE A 46 -18.912 17.555 36.582 1.00 0.00 ATOM 369 N PHE A 47 -18.251 18.023 37.657 1.00 0.00 ATOM 370 CA PHE A 47 -16.860 18.476 37.501 1.00 0.00 ATOM 371 CB PHE A 47 -16.383 18.966 38.856 1.00 0.00 ATOM 372 CG PHE A 47 -14.922 19.445 38.846 1.00 0.00 ATOM 373 CD1 PHE A 47 -14.678 20.748 38.463 1.00 0.00 ATOM 374 CD2 PHE A 47 -13.870 18.611 39.230 1.00 0.00 ATOM 375 CE1 PHE A 47 -13.374 21.226 38.453 1.00 0.00 ATOM 376 CE2 PHE A 47 -12.571 19.098 39.224 1.00 0.00 ATOM 377 CZ PHE A 47 -12.326 20.401 38.841 1.00 0.00 ATOM 378 O PHE A 47 -15.087 17.636 36.129 1.00 0.00 ATOM 379 C PHE A 47 -15.916 17.393 37.008 1.00 0.00 ATOM 380 N GLY A 48 -16.043 16.185 37.556 1.00 0.00 ATOM 381 CA GLY A 48 -15.192 15.093 37.122 1.00 0.00 ATOM 382 O GLY A 48 -14.511 14.729 34.862 1.00 0.00 ATOM 383 C GLY A 48 -15.441 14.871 35.631 1.00 0.00 ATOM 384 N SER A 49 -16.733 14.801 35.242 1.00 0.00 ATOM 385 CA SER A 49 -17.028 14.546 33.825 1.00 0.00 ATOM 386 CB SER A 49 -18.541 14.405 33.640 1.00 0.00 ATOM 387 OG SER A 49 -18.989 13.207 34.281 1.00 0.00 ATOM 388 O SER A 49 -16.071 15.398 31.782 1.00 0.00 ATOM 389 C SER A 49 -16.582 15.673 32.873 1.00 0.00 ATOM 390 N GLY A 50 -16.762 16.941 33.265 1.00 0.00 ATOM 391 CA GLY A 50 -16.360 18.060 32.426 1.00 0.00 ATOM 392 O GLY A 50 -14.328 18.318 31.154 1.00 0.00 ATOM 393 C GLY A 50 -14.846 18.168 32.260 1.00 0.00 ATOM 394 N VAL A 51 -14.150 18.060 33.390 1.00 0.00 ATOM 395 CA VAL A 51 -12.678 18.097 33.392 1.00 0.00 ATOM 396 CB VAL A 51 -12.157 18.066 34.857 1.00 0.00 ATOM 397 CG1 VAL A 51 -10.655 17.832 34.869 1.00 0.00 ATOM 398 CG2 VAL A 51 -12.497 19.367 35.556 1.00 0.00 ATOM 399 O VAL A 51 -11.154 17.108 31.825 1.00 0.00 ATOM 400 C VAL A 51 -12.099 16.934 32.595 1.00 0.00 ATOM 401 N VAL A 52 -12.664 15.750 32.772 1.00 0.00 ATOM 402 CA VAL A 52 -12.187 14.587 32.035 1.00 0.00 ATOM 403 CB VAL A 52 -12.967 13.330 32.418 1.00 0.00 ATOM 404 CG1 VAL A 52 -12.592 12.130 31.549 1.00 0.00 ATOM 405 CG2 VAL A 52 -12.623 13.032 33.877 1.00 0.00 ATOM 406 O VAL A 52 -11.393 14.615 29.778 1.00 0.00 ATOM 407 C VAL A 52 -12.324 14.846 30.536 1.00 0.00 ATOM 408 N VAL A 53 -13.493 15.322 30.088 1.00 0.00 ATOM 409 CA VAL A 53 -13.695 15.624 28.680 1.00 0.00 ATOM 410 CB VAL A 53 -15.136 16.109 28.453 1.00 0.00 ATOM 411 CG1 VAL A 53 -15.338 16.599 27.024 1.00 0.00 ATOM 412 CG2 VAL A 53 -16.133 14.987 28.720 1.00 0.00 ATOM 413 O VAL A 53 -12.117 16.573 27.121 1.00 0.00 ATOM 414 C VAL A 53 -12.688 16.687 28.202 1.00 0.00 ATOM 415 N ALA A 54 -12.471 17.741 28.982 1.00 0.00 ATOM 416 CA ALA A 54 -11.520 18.766 28.601 1.00 0.00 ATOM 417 CB ALA A 54 -11.467 19.810 29.713 1.00 0.00 ATOM 418 O ALA A 54 -9.398 18.705 27.478 1.00 0.00 ATOM 419 C ALA A 54 -10.076 18.317 28.440 1.00 0.00 ATOM 420 N VAL A 55 -9.610 17.548 29.400 1.00 0.00 ATOM 421 CA VAL A 55 -8.265 17.018 29.314 1.00 0.00 ATOM 422 CB VAL A 55 -7.938 16.249 30.588 1.00 0.00 ATOM 423 CG1 VAL A 55 -6.509 15.730 30.487 1.00 0.00 ATOM 424 CG2 VAL A 55 -7.936 17.174 31.804 1.00 0.00 ATOM 425 O VAL A 55 -7.185 16.232 27.306 1.00 0.00 ATOM 426 C VAL A 55 -8.192 16.205 28.020 1.00 0.00 ATOM 427 N THR A 56 -9.305 15.492 27.719 1.00 0.00 ATOM 428 CA THR A 56 -9.380 14.687 26.505 1.00 0.00 ATOM 429 CB THR A 56 -10.789 14.111 26.378 1.00 0.00 ATOM 430 CG2 THR A 56 -10.983 13.341 25.080 1.00 0.00 ATOM 431 OG1 THR A 56 -11.072 13.295 27.509 1.00 0.00 ATOM 432 O THR A 56 -8.450 15.197 24.352 1.00 0.00 ATOM 433 C THR A 56 -9.173 15.564 25.268 1.00 0.00 ATOM 434 N ARG A 57 -9.831 16.715 25.276 1.00 0.00 ATOM 435 CA ARG A 57 -9.685 17.634 24.153 1.00 0.00 ATOM 436 CB ARG A 57 -10.599 18.859 24.380 1.00 0.00 ATOM 437 CG ARG A 57 -10.742 19.742 23.148 1.00 0.00 ATOM 438 CD ARG A 57 -11.142 21.183 23.538 1.00 0.00 ATOM 439 NE ARG A 57 -10.142 21.650 24.494 1.00 0.00 ATOM 440 CZ ARG A 57 -8.925 22.082 24.145 1.00 0.00 ATOM 441 NH1 ARG A 57 -8.533 22.169 22.886 1.00 0.00 ATOM 442 NH2 ARG A 57 -8.102 22.427 25.129 1.00 0.00 ATOM 443 O ARG A 57 -7.733 18.118 22.839 1.00 0.00 ATOM 444 C ARG A 57 -8.219 17.959 23.993 1.00 0.00 ATOM 445 N ALA A 58 -7.499 18.046 25.090 1.00 0.00 ATOM 446 CA ALA A 58 -6.106 18.496 25.087 1.00 0.00 ATOM 447 CB ALA A 58 -5.823 19.359 26.258 1.00 0.00 ATOM 448 O ALA A 58 -3.863 17.661 25.180 1.00 0.00 ATOM 449 C ALA A 58 -5.075 17.374 25.107 1.00 0.00 ATOM 450 N LEU A 59 -5.566 16.072 25.102 1.00 0.00 ATOM 451 CA LEU A 59 -4.638 14.979 24.944 1.00 0.00 ATOM 452 CB LEU A 59 -5.432 13.683 24.778 1.00 0.00 ATOM 453 CG LEU A 59 -6.160 13.241 26.048 1.00 0.00 ATOM 454 CD1 LEU A 59 -6.996 12.011 25.731 1.00 0.00 ATOM 455 CD2 LEU A 59 -5.167 12.835 27.131 1.00 0.00 ATOM 456 O LEU A 59 -4.258 15.471 22.641 1.00 0.00 ATOM 457 C LEU A 59 -3.753 15.127 23.709 1.00 0.00 ATOM 458 N ALA A 60 -2.440 15.043 23.902 1.00 0.00 ATOM 459 CA ALA A 60 -1.418 15.161 22.822 1.00 0.00 ATOM 460 CB ALA A 60 -1.749 14.291 21.594 1.00 0.00 ATOM 461 O ALA A 60 -0.787 16.671 21.080 1.00 0.00 ATOM 462 C ALA A 60 -1.369 16.528 22.169 1.00 0.00 ATOM 463 N TYR A 61 -1.864 17.596 22.805 1.00 0.00 ATOM 464 CA TYR A 61 -1.745 18.958 22.294 1.00 0.00 ATOM 465 CB TYR A 61 -3.068 19.753 22.493 1.00 0.00 ATOM 466 CG TYR A 61 -4.183 19.323 21.564 1.00 0.00 ATOM 467 CD1 TYR A 61 -4.834 18.105 21.739 1.00 0.00 ATOM 468 CD2 TYR A 61 -4.522 20.107 20.454 1.00 0.00 ATOM 469 CE1 TYR A 61 -5.801 17.657 20.823 1.00 0.00 ATOM 470 CE2 TYR A 61 -5.474 19.671 19.528 1.00 0.00 ATOM 471 CZ TYR A 61 -6.103 18.450 19.722 1.00 0.00 ATOM 472 OH TYR A 61 -7.023 18.009 18.797 1.00 0.00 ATOM 473 O TYR A 61 -0.215 19.375 24.084 1.00 0.00 ATOM 474 C TYR A 61 -0.729 19.796 23.048 1.00 0.00 ATOM 475 N GLU A 62 -0.425 21.078 22.536 1.00 0.00 ATOM 476 CA GLU A 62 0.543 21.942 23.185 1.00 0.00 ATOM 477 CB GLU A 62 0.612 23.256 22.415 1.00 0.00 ATOM 478 CG GLU A 62 1.353 23.210 21.076 1.00 0.00 ATOM 479 CD GLU A 62 1.336 24.566 20.338 1.00 0.00 ATOM 480 OE1 GLU A 62 0.570 25.457 20.739 1.00 0.00 ATOM 481 OE2 GLU A 62 2.080 24.698 19.342 1.00 0.00 ATOM 482 O GLU A 62 -1.153 22.228 24.793 1.00 0.00 ATOM 483 C GLU A 62 0.044 22.224 24.575 1.00 0.00 ATOM 484 N ALA A 63 0.884 22.482 25.579 1.00 0.00 ATOM 485 CA ALA A 63 0.489 22.739 26.955 1.00 0.00 ATOM 486 CB ALA A 63 1.743 22.883 27.811 1.00 0.00 ATOM 487 O ALA A 63 -0.036 25.068 26.552 1.00 0.00 ATOM 488 C ALA A 63 -0.346 24.013 27.095 1.00 0.00 ATOM 489 N GLY A 64 -1.411 23.768 27.991 1.00 0.00 ATOM 490 CA GLY A 64 -2.257 24.863 28.483 1.00 0.00 ATOM 491 O GLY A 64 -2.191 23.480 30.423 1.00 0.00 ATOM 492 C GLY A 64 -2.250 24.640 29.999 1.00 0.00 ATOM 493 N SER A 65 -2.361 25.707 30.779 1.00 0.00 ATOM 494 CA SER A 65 -2.379 25.541 32.243 1.00 0.00 ATOM 495 CB SER A 65 -2.421 26.868 32.925 1.00 0.00 ATOM 496 OG SER A 65 -2.551 26.768 34.330 1.00 0.00 ATOM 497 O SER A 65 -4.735 24.960 32.242 1.00 0.00 ATOM 498 C SER A 65 -3.594 24.694 32.627 1.00 0.00 ATOM 499 N SER A 66 -3.322 23.645 33.391 1.00 0.00 ATOM 500 CA SER A 66 -4.403 22.794 33.925 1.00 0.00 ATOM 501 CB SER A 66 -3.954 21.566 34.565 1.00 0.00 ATOM 502 OG SER A 66 -3.243 21.845 35.754 1.00 0.00 ATOM 503 O SER A 66 -6.520 23.401 34.869 1.00 0.00 ATOM 504 C SER A 66 -5.314 23.612 34.852 1.00 0.00 ATOM 505 N ARG A 67 -4.722 24.619 35.513 1.00 0.00 ATOM 506 CA ARG A 67 -5.479 25.566 36.358 1.00 0.00 ATOM 507 CB ARG A 67 -4.557 26.620 36.942 1.00 0.00 ATOM 508 CG ARG A 67 -3.611 26.056 37.994 1.00 0.00 ATOM 509 CD ARG A 67 -2.622 27.151 38.372 1.00 0.00 ATOM 510 NE ARG A 67 -1.763 26.744 39.486 1.00 0.00 ATOM 511 CZ ARG A 67 -0.843 27.535 40.050 1.00 0.00 ATOM 512 NH1 ARG A 67 -0.030 27.060 40.975 1.00 0.00 ATOM 513 NH2 ARG A 67 -0.708 28.815 39.719 1.00 0.00 ATOM 514 O ARG A 67 -7.656 26.453 35.955 1.00 0.00 ATOM 515 C ARG A 67 -6.515 26.290 35.514 1.00 0.00 ATOM 516 N GLU A 68 -6.169 26.711 34.286 1.00 0.00 ATOM 517 CA GLU A 68 -7.124 27.373 33.400 1.00 0.00 ATOM 518 CB GLU A 68 -6.397 27.844 32.147 1.00 0.00 ATOM 519 CG GLU A 68 -5.436 29.000 32.422 1.00 0.00 ATOM 520 CD GLU A 68 -4.671 29.398 31.162 1.00 0.00 ATOM 521 OE1 GLU A 68 -4.779 28.709 30.118 1.00 0.00 ATOM 522 OE2 GLU A 68 -3.941 30.388 31.272 1.00 0.00 ATOM 523 O GLU A 68 -9.416 26.852 32.932 1.00 0.00 ATOM 524 C GLU A 68 -8.251 26.447 32.961 1.00 0.00 ATOM 525 N SER A 69 -7.902 25.195 32.629 1.00 0.00 ATOM 526 CA SER A 69 -8.906 24.235 32.191 1.00 0.00 ATOM 527 CB SER A 69 -8.276 22.948 31.712 1.00 0.00 ATOM 528 OG SER A 69 -7.422 23.121 30.573 1.00 0.00 ATOM 529 O SER A 69 -11.136 23.922 33.056 1.00 0.00 ATOM 530 C SER A 69 -9.913 23.913 33.292 1.00 0.00 ATOM 531 N LEU A 70 -9.431 23.719 34.512 1.00 0.00 ATOM 532 CA LEU A 70 -10.329 23.466 35.643 1.00 0.00 ATOM 533 CB LEU A 70 -9.468 23.014 36.848 1.00 0.00 ATOM 534 CG LEU A 70 -8.675 21.710 36.737 1.00 0.00 ATOM 535 CD1 LEU A 70 -7.974 21.433 38.065 1.00 0.00 ATOM 536 CD2 LEU A 70 -9.605 20.560 36.378 1.00 0.00 ATOM 537 O LEU A 70 -12.360 24.550 36.283 1.00 0.00 ATOM 538 C LEU A 70 -11.173 24.682 35.995 1.00 0.00 ATOM 539 N VAL A 71 -10.582 25.904 35.969 1.00 0.00 ATOM 540 CA VAL A 71 -11.351 27.098 36.302 1.00 0.00 ATOM 541 CB VAL A 71 -10.427 28.336 36.311 1.00 0.00 ATOM 542 CG1 VAL A 71 -11.210 29.628 36.580 1.00 0.00 ATOM 543 CG2 VAL A 71 -9.369 28.244 37.406 1.00 0.00 ATOM 544 O VAL A 71 -13.644 27.645 35.786 1.00 0.00 ATOM 545 C VAL A 71 -12.537 27.317 35.368 1.00 0.00 ATOM 546 N ALA A 72 -12.299 27.085 34.079 1.00 0.00 ATOM 547 CA ALA A 72 -13.349 27.235 33.057 1.00 0.00 ATOM 548 CB ALA A 72 -12.796 26.924 31.669 1.00 0.00 ATOM 549 O ALA A 72 -15.658 26.734 33.345 1.00 0.00 ATOM 550 C ALA A 72 -14.508 26.309 33.379 1.00 0.00 ATOM 551 N PHE A 73 -14.228 25.040 33.749 1.00 0.00 ATOM 552 CA PHE A 73 -15.298 24.090 34.063 1.00 0.00 ATOM 553 CB PHE A 73 -14.813 22.633 34.034 1.00 0.00 ATOM 554 CG PHE A 73 -14.829 22.164 32.593 1.00 0.00 ATOM 555 CD1 PHE A 73 -13.862 22.672 31.733 1.00 0.00 ATOM 556 CD2 PHE A 73 -15.772 21.275 32.127 1.00 0.00 ATOM 557 CE1 PHE A 73 -13.864 22.285 30.397 1.00 0.00 ATOM 558 CE2 PHE A 73 -15.768 20.888 30.797 1.00 0.00 ATOM 559 CZ PHE A 73 -14.818 21.393 29.941 1.00 0.00 ATOM 560 O PHE A 73 -17.228 24.527 35.429 1.00 0.00 ATOM 561 C PHE A 73 -16.003 24.516 35.346 1.00 0.00 ATOM 562 N GLY A 74 -15.234 24.899 36.392 1.00 0.00 ATOM 563 CA GLY A 74 -15.887 25.308 37.625 1.00 0.00 ATOM 564 O GLY A 74 -17.801 26.696 38.103 1.00 0.00 ATOM 565 C GLY A 74 -16.759 26.560 37.460 1.00 0.00 ATOM 566 N THR A 75 -16.314 27.506 36.616 1.00 0.00 ATOM 567 CA THR A 75 -17.123 28.690 36.344 1.00 0.00 ATOM 568 CB THR A 75 -16.375 29.761 35.549 1.00 0.00 ATOM 569 CG2 THR A 75 -17.184 31.033 35.310 1.00 0.00 ATOM 570 OG1 THR A 75 -15.213 30.121 36.292 1.00 0.00 ATOM 571 O THR A 75 -19.500 28.767 35.996 1.00 0.00 ATOM 572 C THR A 75 -18.419 28.286 35.643 1.00 0.00 ATOM 573 N LYS A 76 -18.310 27.384 34.680 1.00 0.00 ATOM 574 CA LYS A 76 -19.498 26.924 33.966 1.00 0.00 ATOM 575 CB LYS A 76 -19.091 25.906 32.900 1.00 0.00 ATOM 576 CG LYS A 76 -18.331 26.595 31.764 1.00 0.00 ATOM 577 CD LYS A 76 -17.979 25.594 30.672 1.00 0.00 ATOM 578 CE LYS A 76 -17.322 26.349 29.514 1.00 0.00 ATOM 579 NZ LYS A 76 -16.915 25.382 28.493 1.00 0.00 ATOM 580 O LYS A 76 -21.695 26.470 34.826 1.00 0.00 ATOM 581 C LYS A 76 -20.487 26.251 34.917 1.00 0.00 ATOM 582 N ASP A 77 -19.966 25.443 35.835 1.00 0.00 ATOM 583 CA ASP A 77 -20.790 24.735 36.812 1.00 0.00 ATOM 584 CB ASP A 77 -20.027 23.677 37.607 1.00 0.00 ATOM 585 CG ASP A 77 -20.981 22.870 38.496 1.00 0.00 ATOM 586 OD1 ASP A 77 -21.838 22.155 37.930 1.00 0.00 ATOM 587 OD2 ASP A 77 -20.772 22.895 39.719 1.00 0.00 ATOM 588 O ASP A 77 -22.473 25.266 38.289 1.00 0.00 ATOM 589 C ASP A 77 -21.419 25.656 37.838 1.00 0.00 ATOM 590 N GLU A 78 -20.805 26.773 38.211 1.00 0.00 ATOM 591 CA GLU A 78 -21.424 27.650 39.212 1.00 0.00 ATOM 592 CB GLU A 78 -20.437 28.316 40.130 1.00 0.00 ATOM 593 CG GLU A 78 -19.525 27.452 40.969 1.00 0.00 ATOM 594 CD GLU A 78 -20.390 26.852 42.045 1.00 0.00 ATOM 595 OE1 GLU A 78 -21.117 27.610 42.747 1.00 0.00 ATOM 596 OE2 GLU A 78 -20.381 25.619 42.063 1.00 0.00 ATOM 597 O GLU A 78 -23.230 29.180 39.128 1.00 0.00 ATOM 598 C GLU A 78 -22.218 28.793 38.584 1.00 0.00 ATOM 599 N GLN A 79 -21.834 29.268 37.416 1.00 0.00 ATOM 600 CA GLN A 79 -22.596 30.288 36.663 1.00 0.00 ATOM 601 CB GLN A 79 -21.889 30.565 35.341 1.00 0.00 ATOM 602 CG GLN A 79 -22.567 31.678 34.542 1.00 0.00 ATOM 603 CD GLN A 79 -21.838 31.939 33.231 1.00 0.00 ATOM 604 OE1 GLN A 79 -20.916 31.257 32.794 1.00 0.00 ATOM 605 NE2 GLN A 79 -22.302 32.956 32.552 1.00 0.00 ATOM 606 O GLN A 79 -24.971 30.522 36.485 1.00 0.00 ATOM 607 C GLN A 79 -24.010 29.773 36.363 1.00 0.00 ATOM 608 N ILE A 80 -24.177 28.500 36.024 1.00 0.00 ATOM 609 CA ILE A 80 -25.507 27.982 35.711 1.00 0.00 ATOM 610 CB ILE A 80 -25.423 26.545 35.158 1.00 0.00 ATOM 611 CG1 ILE A 80 -24.605 26.476 33.865 1.00 0.00 ATOM 612 CG2 ILE A 80 -26.845 25.984 35.018 1.00 0.00 ATOM 613 CD1 ILE A 80 -24.342 25.083 33.298 1.00 0.00 ATOM 614 O ILE A 80 -27.488 28.646 36.905 1.00 0.00 ATOM 615 C ILE A 80 -26.389 28.080 36.993 1.00 0.00 ATOM 616 N PRO A 81 -25.987 27.451 38.116 1.00 0.00 ATOM 617 CA PRO A 81 -26.758 27.445 39.366 1.00 0.00 ATOM 618 CB PRO A 81 -26.165 26.029 39.944 1.00 0.00 ATOM 619 CG PRO A 81 -24.797 25.966 39.363 1.00 0.00 ATOM 620 CD PRO A 81 -24.947 26.535 38.004 1.00 0.00 ATOM 621 O PRO A 81 -27.834 28.911 40.923 1.00 0.00 ATOM 622 C PRO A 81 -26.994 28.802 40.026 1.00 0.00 ATOM 623 N GLU A 82 -25.385 29.771 40.713 1.00 0.00 ATOM 624 CA GLU A 82 -25.619 31.076 41.402 1.00 0.00 ATOM 625 CB GLU A 82 -26.939 30.759 42.303 1.00 0.00 ATOM 626 CG GLU A 82 -27.494 31.962 43.028 1.00 0.00 ATOM 627 CD GLU A 82 -28.375 32.898 42.241 1.00 0.00 ATOM 628 OE1 GLU A 82 -28.892 33.882 42.838 1.00 0.00 ATOM 629 OE2 GLU A 82 -28.548 32.646 41.032 1.00 0.00 ATOM 630 O GLU A 82 -24.395 32.903 42.302 1.00 0.00 ATOM 631 C GLU A 82 -24.414 31.679 42.036 1.00 0.00 ATOM 632 N ALA A 83 -23.394 30.851 42.277 1.00 0.00 ATOM 633 CA ALA A 83 -22.161 31.294 42.869 1.00 0.00 ATOM 634 CB ALA A 83 -22.305 31.777 44.399 1.00 0.00 ATOM 635 O ALA A 83 -20.152 30.145 43.719 1.00 0.00 ATOM 636 C ALA A 83 -20.678 30.625 42.721 1.00 0.00 ATOM 637 N VAL A 84 -19.837 30.906 41.525 1.00 0.00 ATOM 638 CA VAL A 84 -18.392 30.422 41.394 1.00 0.00 ATOM 639 CB VAL A 84 -17.691 30.615 40.003 1.00 0.00 ATOM 640 CG1 VAL A 84 -16.307 29.941 39.859 1.00 0.00 ATOM 641 CG2 VAL A 84 -18.505 30.162 38.798 1.00 0.00 ATOM 642 O VAL A 84 -17.384 32.338 42.463 1.00 0.00 ATOM 643 C VAL A 84 -17.468 31.102 42.429 1.00 0.00 ATOM 644 N THR A 85 -16.673 30.321 43.166 1.00 0.00 ATOM 645 CA THR A 85 -15.723 30.898 44.134 1.00 0.00 ATOM 646 CB THR A 85 -15.290 29.849 45.175 1.00 0.00 ATOM 647 CG2 THR A 85 -14.238 30.426 46.106 1.00 0.00 ATOM 648 OG1 THR A 85 -16.382 29.465 46.011 1.00 0.00 ATOM 649 O THR A 85 -13.791 30.670 42.730 1.00 0.00 ATOM 650 C THR A 85 -14.527 31.436 43.335 1.00 0.00 ATOM 651 N GLN A 86 -14.190 32.707 43.565 1.00 0.00 ATOM 652 CA GLN A 86 -13.057 33.336 42.848 1.00 0.00 ATOM 653 CB GLN A 86 -12.989 34.827 43.113 1.00 0.00 ATOM 654 CG GLN A 86 -14.121 35.589 42.442 1.00 0.00 ATOM 655 CD GLN A 86 -14.062 37.073 42.813 1.00 0.00 ATOM 656 OE1 GLN A 86 -13.196 37.575 43.522 1.00 0.00 ATOM 657 NE2 GLN A 86 -14.973 37.823 42.267 1.00 0.00 ATOM 658 O GLN A 86 -10.828 32.534 42.369 1.00 0.00 ATOM 659 C GLN A 86 -11.699 32.716 43.211 1.00 0.00 ATOM 660 N THR A 87 -11.581 32.292 44.459 1.00 0.00 ATOM 661 CA THR A 87 -10.343 31.670 44.986 1.00 0.00 ATOM 662 CB THR A 87 -10.114 32.097 46.445 1.00 0.00 ATOM 663 CG2 THR A 87 -9.942 33.609 46.608 1.00 0.00 ATOM 664 OG1 THR A 87 -11.235 31.675 47.225 1.00 0.00 ATOM 665 O THR A 87 -9.709 29.480 45.726 1.00 0.00 ATOM 666 C THR A 87 -10.366 30.141 44.924 1.00 0.00 ATOM 667 N GLU A 88 -11.169 29.609 43.915 1.00 0.00 ATOM 668 CA GLU A 88 -11.283 28.156 43.769 1.00 0.00 ATOM 669 CB GLU A 88 -12.085 27.881 42.488 1.00 0.00 ATOM 670 CG GLU A 88 -12.247 26.383 42.202 1.00 0.00 ATOM 671 CD GLU A 88 -13.043 26.012 40.959 1.00 0.00 ATOM 672 OE1 GLU A 88 -13.436 26.958 40.237 1.00 0.00 ATOM 673 OE2 GLU A 88 -13.212 24.787 40.789 1.00 0.00 ATOM 674 O GLU A 88 -9.822 26.364 44.389 1.00 0.00 ATOM 675 C GLU A 88 -9.966 27.388 43.724 1.00 0.00 ATOM 676 N VAL A 89 -8.981 27.866 42.952 1.00 0.00 ATOM 677 CA VAL A 89 -7.695 27.188 42.852 1.00 0.00 ATOM 678 CB VAL A 89 -6.792 27.844 41.799 1.00 0.00 ATOM 679 CG1 VAL A 89 -5.385 27.238 41.771 1.00 0.00 ATOM 680 CG2 VAL A 89 -7.434 27.658 40.422 1.00 0.00 ATOM 681 O VAL A 89 -6.341 26.117 44.517 1.00 0.00 ATOM 682 C VAL A 89 -6.983 27.117 44.203 1.00 0.00 ATOM 683 N ASN A 90 -7.118 28.175 44.983 1.00 0.00 ATOM 684 CA ASN A 90 -6.506 28.204 46.306 1.00 0.00 ATOM 685 CB ASN A 90 -6.688 29.579 46.942 1.00 0.00 ATOM 686 CG ASN A 90 -5.775 30.603 46.270 1.00 0.00 ATOM 687 ND2 ASN A 90 -6.136 31.836 46.486 1.00 0.00 ATOM 688 OD1 ASN A 90 -4.782 30.346 45.612 1.00 0.00 ATOM 689 O ASN A 90 -6.350 26.386 47.887 1.00 0.00 ATOM 690 C ASN A 90 -7.073 27.144 47.241 1.00 0.00 ATOM 691 N ARG A 91 -8.391 27.033 47.145 1.00 0.00 ATOM 692 CA ARG A 91 -9.136 25.996 47.882 1.00 0.00 ATOM 693 CB ARG A 91 -10.633 26.140 47.619 1.00 0.00 ATOM 694 CG ARG A 91 -11.217 27.406 48.210 1.00 0.00 ATOM 695 CD ARG A 91 -12.704 27.409 47.865 1.00 0.00 ATOM 696 NE ARG A 91 -13.316 28.630 48.386 1.00 0.00 ATOM 697 CZ ARG A 91 -13.587 28.881 49.655 1.00 0.00 ATOM 698 NH1 ARG A 91 -14.133 30.047 49.937 1.00 0.00 ATOM 699 NH2 ARG A 91 -13.328 27.994 50.612 1.00 0.00 ATOM 700 O ARG A 91 -8.340 23.772 48.314 1.00 0.00 ATOM 701 C ARG A 91 -8.711 24.587 47.468 1.00 0.00 ATOM 702 N VAL A 92 -8.555 24.399 46.158 1.00 0.00 ATOM 703 CA VAL A 92 -8.147 23.102 45.575 1.00 0.00 ATOM 704 CB VAL A 92 -8.077 23.172 44.033 1.00 0.00 ATOM 705 CG1 VAL A 92 -7.532 21.888 43.404 1.00 0.00 ATOM 706 CG2 VAL A 92 -9.476 23.381 43.469 1.00 0.00 ATOM 707 O VAL A 92 -6.577 21.537 46.553 1.00 0.00 ATOM 708 C VAL A 92 -6.778 22.680 46.112 1.00 0.00 ATOM 709 N LEU A 93 -5.791 23.570 46.061 1.00 0.00 ATOM 710 CA LEU A 93 -4.433 23.237 46.511 1.00 0.00 ATOM 711 CB LEU A 93 -3.474 24.398 46.256 1.00 0.00 ATOM 712 CG LEU A 93 -3.133 24.610 44.776 1.00 0.00 ATOM 713 CD1 LEU A 93 -2.307 25.893 44.646 1.00 0.00 ATOM 714 CD2 LEU A 93 -2.340 23.427 44.235 1.00 0.00 ATOM 715 O LEU A 93 -3.791 21.995 48.466 1.00 0.00 ATOM 716 C LEU A 93 -4.393 22.971 48.009 1.00 0.00 ATOM 717 N GLU A 94 -5.107 23.842 48.724 1.00 0.00 ATOM 718 CA GLU A 94 -5.175 23.765 50.169 1.00 0.00 ATOM 719 CB GLU A 94 -6.056 24.832 50.816 1.00 0.00 ATOM 720 CG GLU A 94 -6.160 24.720 52.365 1.00 0.00 ATOM 721 CD GLU A 94 -7.037 25.791 52.970 1.00 0.00 ATOM 722 OE1 GLU A 94 -7.354 26.758 52.227 1.00 0.00 ATOM 723 OE2 GLU A 94 -7.235 25.763 54.201 1.00 0.00 ATOM 724 O GLU A 94 -4.973 21.651 51.299 1.00 0.00 ATOM 725 C GLU A 94 -5.640 22.358 50.545 1.00 0.00 ATOM 726 N VAL A 95 -6.821 21.922 50.024 1.00 0.00 ATOM 727 CA VAL A 95 -7.388 20.602 50.289 1.00 0.00 ATOM 728 CB VAL A 95 -8.722 20.376 49.563 1.00 0.00 ATOM 729 CG1 VAL A 95 -9.284 18.969 49.771 1.00 0.00 ATOM 730 CG2 VAL A 95 -9.773 21.372 50.050 1.00 0.00 ATOM 731 O VAL A 95 -6.355 18.463 50.637 1.00 0.00 ATOM 732 C VAL A 95 -6.451 19.459 49.919 1.00 0.00 ATOM 733 N PHE A 96 -5.725 19.580 48.787 1.00 0.00 ATOM 734 CA PHE A 96 -4.808 18.538 48.361 1.00 0.00 ATOM 735 CB PHE A 96 -4.222 18.886 46.999 1.00 0.00 ATOM 736 CG PHE A 96 -5.102 18.290 45.906 1.00 0.00 ATOM 737 CD1 PHE A 96 -5.065 16.917 45.672 1.00 0.00 ATOM 738 CD2 PHE A 96 -5.867 19.109 45.098 1.00 0.00 ATOM 739 CE1 PHE A 96 -5.791 16.380 44.623 1.00 0.00 ATOM 740 CE2 PHE A 96 -6.599 18.566 44.058 1.00 0.00 ATOM 741 CZ PHE A 96 -6.559 17.202 43.805 1.00 0.00 ATOM 742 O PHE A 96 -3.308 17.108 49.564 1.00 0.00 ATOM 743 C PHE A 96 -3.645 18.258 49.309 1.00 0.00 ATOM 744 N LYS A 97 -3.069 19.346 49.817 1.00 0.00 ATOM 745 CA LYS A 97 -1.972 19.242 50.806 1.00 0.00 ATOM 746 CB LYS A 97 -1.391 20.633 51.108 1.00 0.00 ATOM 747 CG LYS A 97 -0.709 21.350 49.950 1.00 0.00 ATOM 748 CD LYS A 97 -0.120 22.637 50.510 1.00 0.00 ATOM 749 CE LYS A 97 -1.160 23.746 50.610 1.00 0.00 ATOM 750 NZ LYS A 97 -0.499 25.011 50.946 1.00 0.00 ATOM 751 O LYS A 97 -1.891 17.647 52.597 1.00 0.00 ATOM 752 C LYS A 97 -2.468 18.638 52.095 1.00 0.00 ATOM 753 N PRO A 98 -3.562 19.040 52.691 1.00 0.00 ATOM 754 CA PRO A 98 -4.019 18.428 53.926 1.00 0.00 ATOM 755 CB PRO A 98 -5.147 19.325 54.438 1.00 0.00 ATOM 756 CG PRO A 98 -4.877 20.655 53.805 1.00 0.00 ATOM 757 CD PRO A 98 -4.241 20.373 52.462 1.00 0.00 ATOM 758 O PRO A 98 -4.299 16.245 54.733 1.00 0.00 ATOM 759 C PRO A 98 -4.577 17.028 53.839 1.00 0.00 ATOM 760 N TYR A 99 -5.333 16.699 52.788 1.00 0.00 ATOM 761 CA TYR A 99 -5.952 15.364 52.763 1.00 0.00 ATOM 762 CB TYR A 99 -6.663 15.127 51.461 1.00 0.00 ATOM 763 CG TYR A 99 -7.245 13.718 51.429 1.00 0.00 ATOM 764 CD1 TYR A 99 -8.383 13.373 52.162 1.00 0.00 ATOM 765 CD2 TYR A 99 -6.721 12.820 50.526 1.00 0.00 ATOM 766 CE1 TYR A 99 -9.042 12.169 51.948 1.00 0.00 ATOM 767 CE2 TYR A 99 -7.342 11.601 50.405 1.00 0.00 ATOM 768 CZ TYR A 99 -8.520 11.256 51.051 1.00 0.00 ATOM 769 OH TYR A 99 -9.085 10.031 50.895 1.00 0.00 ATOM 770 O TYR A 99 -5.086 13.222 53.474 1.00 0.00 ATOM 771 C TYR A 99 -4.903 14.266 52.832 1.00 0.00 ATOM 772 N TYR A 100 -3.885 14.478 52.017 1.00 0.00 ATOM 773 CA TYR A 100 -2.791 13.507 51.929 1.00 0.00 ATOM 774 CB TYR A 100 -1.712 13.993 50.961 1.00 0.00 ATOM 775 CG TYR A 100 -0.602 12.960 50.938 1.00 0.00 ATOM 776 CD1 TYR A 100 -0.753 11.799 50.200 1.00 0.00 ATOM 777 CD2 TYR A 100 0.589 13.215 51.620 1.00 0.00 ATOM 778 CE1 TYR A 100 0.296 10.901 50.143 1.00 0.00 ATOM 779 CE2 TYR A 100 1.635 12.318 51.553 1.00 0.00 ATOM 780 CZ TYR A 100 1.462 11.159 50.818 1.00 0.00 ATOM 781 OH TYR A 100 2.278 10.130 51.085 1.00 0.00 ATOM 782 O TYR A 100 -1.996 12.092 53.701 1.00 0.00 ATOM 783 C TYR A 100 -2.196 13.246 53.310 1.00 0.00 ATOM 784 N ALA A 101 -1.944 14.329 54.060 1.00 0.00 ATOM 785 CA ALA A 101 -1.372 14.239 55.405 1.00 0.00 ATOM 786 CB ALA A 101 -1.057 15.637 55.938 1.00 0.00 ATOM 787 O ALA A 101 -1.865 12.509 56.982 1.00 0.00 ATOM 788 C ALA A 101 -2.304 13.493 56.378 1.00 0.00 ATOM 789 N ASP A 102 -3.599 13.778 56.285 1.00 0.00 ATOM 790 CA ASP A 102 -4.610 13.195 57.191 1.00 0.00 ATOM 791 CB ASP A 102 -5.911 14.005 57.187 1.00 0.00 ATOM 792 CG ASP A 102 -5.759 15.318 57.956 1.00 0.00 ATOM 793 OD1 ASP A 102 -4.835 15.392 58.775 1.00 0.00 ATOM 794 OD2 ASP A 102 -6.691 16.149 57.906 1.00 0.00 ATOM 795 O ASP A 102 -5.018 10.909 57.825 1.00 0.00 ATOM 796 C ASP A 102 -4.978 11.737 56.916 1.00 0.00 ATOM 797 N HIS A 103 -5.267 11.422 55.632 1.00 0.00 ATOM 798 CA HIS A 103 -5.676 10.076 55.260 1.00 0.00 ATOM 799 CB HIS A 103 -5.897 9.993 53.743 1.00 0.00 ATOM 800 CG HIS A 103 -6.391 8.610 53.316 1.00 0.00 ATOM 801 CD2 HIS A 103 -5.761 7.689 52.584 1.00 0.00 ATOM 802 ND1 HIS A 103 -7.615 8.157 53.565 1.00 0.00 ATOM 803 CE1 HIS A 103 -7.758 6.984 52.968 1.00 0.00 ATOM 804 NE2 HIS A 103 -6.614 6.684 52.371 1.00 0.00 ATOM 805 O HIS A 103 -4.906 8.042 56.307 1.00 0.00 ATOM 806 C HIS A 103 -4.611 9.045 55.639 1.00 0.00 ATOM 807 N CYS A 104 -3.374 9.364 55.269 1.00 0.00 ATOM 808 CA CYS A 104 -2.243 8.492 55.559 1.00 0.00 ATOM 809 CB CYS A 104 -1.011 8.987 54.728 1.00 0.00 ATOM 810 SG CYS A 104 -1.150 8.830 52.937 1.00 0.00 ATOM 811 O CYS A 104 -1.622 7.386 57.572 1.00 0.00 ATOM 812 C CYS A 104 -2.001 8.403 57.058 1.00 0.00 ATOM 813 N GLN A 105 -2.090 9.480 57.797 1.00 0.00 ATOM 814 CA GLN A 105 -1.950 9.363 59.270 1.00 0.00 ATOM 815 CB GLN A 105 -1.951 10.733 59.906 1.00 0.00 ATOM 816 CG GLN A 105 -0.685 11.507 59.576 1.00 0.00 ATOM 817 CD GLN A 105 -0.834 12.911 60.150 1.00 0.00 ATOM 818 OE1 GLN A 105 -1.824 13.364 60.691 1.00 0.00 ATOM 819 NE2 GLN A 105 0.223 13.640 60.013 1.00 0.00 ATOM 820 O GLN A 105 -2.780 7.688 60.791 1.00 0.00 ATOM 821 C GLN A 105 -3.050 8.502 59.904 1.00 0.00 ATOM 822 N ILE A 106 -4.289 8.654 59.418 1.00 0.00 ATOM 823 CA ILE A 106 -5.420 7.856 59.884 1.00 0.00 ATOM 824 CB ILE A 106 -6.732 8.267 59.174 1.00 0.00 ATOM 825 CG1 ILE A 106 -7.127 9.686 59.604 1.00 0.00 ATOM 826 CG2 ILE A 106 -7.887 7.269 59.431 1.00 0.00 ATOM 827 CD1 ILE A 106 -8.257 10.313 58.773 1.00 0.00 ATOM 828 O ILE A 106 -5.440 5.566 60.619 1.00 0.00 ATOM 829 C ILE A 106 -5.164 6.364 59.721 1.00 0.00 ATOM 830 N LYS A 107 -4.662 6.007 58.426 1.00 0.00 ATOM 831 CA LYS A 107 -4.381 4.609 58.149 1.00 0.00 ATOM 832 CB LYS A 107 -5.405 4.210 57.097 1.00 0.00 ATOM 833 CG LYS A 107 -6.765 4.066 57.753 1.00 0.00 ATOM 834 CD LYS A 107 -6.844 2.840 58.641 1.00 0.00 ATOM 835 CE LYS A 107 -8.316 2.508 58.838 1.00 0.00 ATOM 836 NZ LYS A 107 -8.397 1.202 59.495 1.00 0.00 ATOM 837 O LYS A 107 -2.471 5.459 57.008 1.00 0.00 ATOM 838 C LYS A 107 -3.078 4.461 57.358 1.00 0.00 ATOM 839 N THR A 108 -2.661 3.201 57.135 1.00 0.00 ATOM 840 CA THR A 108 -1.429 2.982 56.365 1.00 0.00 ATOM 841 CB THR A 108 -0.735 1.754 56.913 1.00 0.00 ATOM 842 CG2 THR A 108 -0.514 1.878 58.410 1.00 0.00 ATOM 843 OG1 THR A 108 -1.563 0.632 56.673 1.00 0.00 ATOM 844 O THR A 108 -2.799 2.626 54.428 1.00 0.00 ATOM 845 C THR A 108 -1.665 2.862 54.864 1.00 0.00 ATOM 846 N GLY A 109 -0.628 3.131 54.080 1.00 0.00 ATOM 847 CA GLY A 109 -0.817 3.041 52.627 1.00 0.00 ATOM 848 O GLY A 109 -1.351 5.279 52.566 1.00 0.00 ATOM 849 C GLY A 109 -0.781 4.401 51.921 1.00 0.00 ATOM 850 N PRO A 110 -0.030 4.697 50.780 1.00 0.00 ATOM 851 CA PRO A 110 0.695 3.983 49.684 1.00 0.00 ATOM 852 CB PRO A 110 2.133 4.439 49.852 1.00 0.00 ATOM 853 CG PRO A 110 2.021 5.888 50.285 1.00 0.00 ATOM 854 CD PRO A 110 0.592 6.032 50.805 1.00 0.00 ATOM 855 O PRO A 110 0.821 1.977 51.065 1.00 0.00 ATOM 856 C PRO A 110 0.937 2.477 49.921 1.00 0.00 ATOM 857 N PHE A 111 1.258 1.772 48.846 1.00 0.00 ATOM 858 CA PHE A 111 1.350 0.327 48.909 1.00 0.00 ATOM 859 CB PHE A 111 2.075 -0.151 47.699 1.00 0.00 ATOM 860 CG PHE A 111 1.251 0.076 46.470 1.00 0.00 ATOM 861 CD1 PHE A 111 1.683 0.979 45.485 1.00 0.00 ATOM 862 CD2 PHE A 111 0.042 -0.604 46.288 1.00 0.00 ATOM 863 CE1 PHE A 111 0.931 1.190 44.334 1.00 0.00 ATOM 864 CE2 PHE A 111 -0.727 -0.397 45.135 1.00 0.00 ATOM 865 CZ PHE A 111 -0.282 0.504 44.158 1.00 0.00 ATOM 866 O PHE A 111 3.402 1.086 49.876 1.00 0.00 ATOM 867 C PHE A 111 2.508 0.225 49.923 1.00 0.00 ATOM 868 N PRO A 112 2.453 -0.704 50.885 1.00 0.00 ATOM 869 CA PRO A 112 3.455 -0.843 51.956 1.00 0.00 ATOM 870 CB PRO A 112 3.185 -2.230 52.549 1.00 0.00 ATOM 871 CG PRO A 112 1.685 -2.370 52.394 1.00 0.00 ATOM 872 CD PRO A 112 1.397 -1.713 51.057 1.00 0.00 ATOM 873 O PRO A 112 5.787 -0.221 52.209 1.00 0.00 ATOM 874 C PRO A 112 4.934 -0.764 51.526 1.00 0.00 ATOM 875 N GLY A 113 5.245 -1.283 50.343 1.00 0.00 ATOM 876 CA GLY A 113 6.652 -1.371 49.895 1.00 0.00 ATOM 877 O GLY A 113 8.297 -0.186 48.611 1.00 0.00 ATOM 878 C GLY A 113 7.144 -0.199 49.037 1.00 0.00 ATOM 879 N ILE A 114 6.312 0.827 48.821 1.00 0.00 ATOM 880 CA ILE A 114 6.675 1.960 47.929 1.00 0.00 ATOM 881 CB ILE A 114 5.532 2.970 47.672 1.00 0.00 ATOM 882 CG1 ILE A 114 4.384 2.231 46.972 1.00 0.00 ATOM 883 CG2 ILE A 114 5.987 4.200 46.860 1.00 0.00 ATOM 884 CD1 ILE A 114 3.151 3.073 46.639 1.00 0.00 ATOM 885 O ILE A 114 8.852 2.972 47.526 1.00 0.00 ATOM 886 C ILE A 114 7.886 2.824 48.291 1.00 0.00 ATOM 887 N LEU A 115 7.867 3.425 49.519 1.00 0.00 ATOM 888 CA LEU A 115 9.017 4.201 49.978 1.00 0.00 ATOM 889 CB LEU A 115 8.774 4.759 51.390 1.00 0.00 ATOM 890 CG LEU A 115 9.968 5.541 51.974 1.00 0.00 ATOM 891 CD1 LEU A 115 10.273 6.799 51.170 1.00 0.00 ATOM 892 CD2 LEU A 115 9.692 5.905 53.425 1.00 0.00 ATOM 893 O LEU A 115 11.324 3.844 49.467 1.00 0.00 ATOM 894 C LEU A 115 10.304 3.370 49.973 1.00 0.00 ATOM 895 N ASP A 116 10.170 2.102 50.366 1.00 0.00 ATOM 896 CA ASP A 116 11.292 1.149 50.323 1.00 0.00 ATOM 897 CB ASP A 116 10.879 -0.209 50.871 1.00 0.00 ATOM 898 CG ASP A 116 10.632 -0.191 52.382 1.00 0.00 ATOM 899 OD1 ASP A 116 11.061 0.773 53.051 1.00 0.00 ATOM 900 OD2 ASP A 116 10.040 -1.177 52.836 1.00 0.00 ATOM 901 O ASP A 116 12.976 1.002 48.613 1.00 0.00 ATOM 902 C ASP A 116 11.775 0.978 48.881 1.00 0.00 ATOM 903 N LEU A 117 10.830 0.840 47.935 1.00 0.00 ATOM 904 CA LEU A 117 11.187 0.685 46.526 1.00 0.00 ATOM 905 CB LEU A 117 9.810 0.700 45.866 1.00 0.00 ATOM 906 CG LEU A 117 9.829 0.370 44.397 1.00 0.00 ATOM 907 CD1 LEU A 117 9.563 -1.095 44.459 1.00 0.00 ATOM 908 CD2 LEU A 117 8.737 1.106 43.622 1.00 0.00 ATOM 909 O LEU A 117 12.892 1.787 45.253 1.00 0.00 ATOM 910 C LEU A 117 11.868 1.908 45.923 1.00 0.00 ATOM 911 N MET A 118 11.277 3.071 46.143 1.00 0.00 ATOM 912 CA MET A 118 11.831 4.300 45.590 1.00 0.00 ATOM 913 CB MET A 118 10.889 5.456 45.920 1.00 0.00 ATOM 914 CG MET A 118 9.564 5.377 45.172 1.00 0.00 ATOM 915 SD MET A 118 8.439 6.740 45.652 1.00 0.00 ATOM 916 CE MET A 118 9.344 8.110 44.986 1.00 0.00 ATOM 917 O MET A 118 14.158 4.866 45.499 1.00 0.00 ATOM 918 C MET A 118 13.211 4.555 46.204 1.00 0.00 ATOM 919 N LYS A 119 13.343 4.402 47.522 1.00 0.00 ATOM 920 CA LYS A 119 14.622 4.637 48.168 1.00 0.00 ATOM 921 CB LYS A 119 14.469 4.466 49.672 1.00 0.00 ATOM 922 CG LYS A 119 15.780 4.826 50.371 1.00 0.00 ATOM 923 CD LYS A 119 15.574 4.693 51.865 1.00 0.00 ATOM 924 CE LYS A 119 16.832 4.540 52.674 1.00 0.00 ATOM 925 NZ LYS A 119 16.477 4.330 54.086 1.00 0.00 ATOM 926 O LYS A 119 16.831 4.191 47.360 1.00 0.00 ATOM 927 C LYS A 119 15.731 3.709 47.632 1.00 0.00 ATOM 928 N ASN A 120 15.408 2.431 47.467 1.00 0.00 ATOM 929 CA ASN A 120 16.404 1.450 46.989 1.00 0.00 ATOM 930 CB ASN A 120 15.888 0.037 47.058 1.00 0.00 ATOM 931 CG ASN A 120 15.811 -0.538 48.457 1.00 0.00 ATOM 932 ND2 ASN A 120 15.027 -1.578 48.590 1.00 0.00 ATOM 933 OD1 ASN A 120 16.440 -0.126 49.420 1.00 0.00 ATOM 934 O ASN A 120 18.087 1.647 45.326 1.00 0.00 ATOM 935 C ASN A 120 16.887 1.671 45.560 1.00 0.00 ATOM 936 N LEU A 121 15.968 2.003 44.650 1.00 0.00 ATOM 937 CA LEU A 121 16.329 2.268 43.251 1.00 0.00 ATOM 938 CB LEU A 121 15.079 2.558 42.435 1.00 0.00 ATOM 939 CG LEU A 121 14.162 1.363 42.186 1.00 0.00 ATOM 940 CD1 LEU A 121 12.894 1.889 41.522 1.00 0.00 ATOM 941 CD2 LEU A 121 14.828 0.299 41.318 1.00 0.00 ATOM 942 O LEU A 121 18.369 3.373 42.562 1.00 0.00 ATOM 943 C LEU A 121 17.282 3.474 43.154 1.00 0.00 ATOM 944 N ARG A 122 16.933 4.560 43.832 1.00 0.00 ATOM 945 CA ARG A 122 17.823 5.728 43.868 1.00 0.00 ATOM 946 CB ARG A 122 17.193 6.791 44.750 1.00 0.00 ATOM 947 CG ARG A 122 17.965 8.099 44.669 1.00 0.00 ATOM 948 CD ARG A 122 17.360 9.125 45.621 1.00 0.00 ATOM 949 NE ARG A 122 17.427 8.646 47.013 1.00 0.00 ATOM 950 CZ ARG A 122 18.489 8.762 47.822 1.00 0.00 ATOM 951 NH1 ARG A 122 18.427 8.353 49.082 1.00 0.00 ATOM 952 NH2 ARG A 122 19.615 9.279 47.365 1.00 0.00 ATOM 953 O ARG A 122 20.227 5.634 43.822 1.00 0.00 ATOM 954 C ARG A 122 19.188 5.327 44.419 1.00 0.00 ATOM 955 N GLN A 123 19.196 4.635 45.560 1.00 0.00 ATOM 956 CA GLN A 123 20.445 4.252 46.212 1.00 0.00 ATOM 957 CB GLN A 123 20.079 3.545 47.526 1.00 0.00 ATOM 958 CG GLN A 123 21.302 3.179 48.360 1.00 0.00 ATOM 959 CD GLN A 123 22.047 4.407 48.890 1.00 0.00 ATOM 960 OE1 GLN A 123 21.539 5.176 49.686 1.00 0.00 ATOM 961 NE2 GLN A 123 23.233 4.629 48.394 1.00 0.00 ATOM 962 O GLN A 123 22.512 3.354 45.400 1.00 0.00 ATOM 963 C GLN A 123 21.278 3.334 45.329 1.00 0.00 ATOM 964 N LYS A 124 20.612 2.483 44.505 1.00 0.00 ATOM 965 CA LYS A 124 21.330 1.540 43.650 1.00 0.00 ATOM 966 CB LYS A 124 20.992 0.115 44.328 1.00 0.00 ATOM 967 CG LYS A 124 21.882 -1.024 43.982 1.00 0.00 ATOM 968 CD LYS A 124 21.908 -2.069 45.131 1.00 0.00 ATOM 969 CE LYS A 124 23.035 -1.830 46.161 1.00 0.00 ATOM 970 NZ LYS A 124 22.608 -1.189 47.466 1.00 0.00 ATOM 971 O LYS A 124 22.119 1.335 41.404 1.00 0.00 ATOM 972 C LYS A 124 21.725 2.105 42.293 1.00 0.00 ATOM 973 N GLY A 125 21.658 3.430 42.114 1.00 0.00 ATOM 974 CA GLY A 125 22.049 4.111 40.889 1.00 0.00 ATOM 975 O GLY A 125 21.015 4.902 38.890 1.00 0.00 ATOM 976 C GLY A 125 20.856 4.308 39.949 1.00 0.00 ATOM 977 N VAL A 126 19.693 3.761 40.283 1.00 0.00 ATOM 978 CA VAL A 126 18.493 3.996 39.459 1.00 0.00 ATOM 979 CB VAL A 126 17.314 3.083 39.832 1.00 0.00 ATOM 980 CG1 VAL A 126 16.059 3.381 38.988 1.00 0.00 ATOM 981 CG2 VAL A 126 17.709 1.616 39.658 1.00 0.00 ATOM 982 O VAL A 126 17.872 5.968 40.635 1.00 0.00 ATOM 983 C VAL A 126 18.075 5.450 39.548 1.00 0.00 ATOM 984 N LYS A 127 18.028 6.122 38.400 1.00 0.00 ATOM 985 CA LYS A 127 17.589 7.507 38.407 1.00 0.00 ATOM 986 CB LYS A 127 17.922 8.139 37.060 1.00 0.00 ATOM 987 CG LYS A 127 19.417 8.167 36.760 1.00 0.00 ATOM 988 CD LYS A 127 20.165 9.031 37.765 1.00 0.00 ATOM 989 CE LYS A 127 21.614 9.106 37.341 1.00 0.00 ATOM 990 NZ LYS A 127 22.392 9.883 38.305 1.00 0.00 ATOM 991 O LYS A 127 15.426 6.520 38.061 1.00 0.00 ATOM 992 C LYS A 127 16.063 7.415 38.621 1.00 0.00 ATOM 993 N LEU A 128 15.522 8.277 39.471 1.00 0.00 ATOM 994 CA LEU A 128 14.096 8.273 39.793 1.00 0.00 ATOM 995 CB LEU A 128 13.843 8.080 41.293 1.00 0.00 ATOM 996 CG LEU A 128 14.415 6.788 41.878 1.00 0.00 ATOM 997 CD1 LEU A 128 14.090 6.820 43.370 1.00 0.00 ATOM 998 CD2 LEU A 128 13.793 5.549 41.254 1.00 0.00 ATOM 999 O LEU A 128 13.953 10.683 39.752 1.00 0.00 ATOM 1000 C LEU A 128 13.503 9.610 39.353 1.00 0.00 ATOM 1001 N ALA A 129 12.536 9.519 38.451 1.00 0.00 ATOM 1002 CA ALA A 129 11.896 10.713 37.869 1.00 0.00 ATOM 1003 CB ALA A 129 12.459 11.027 36.480 1.00 0.00 ATOM 1004 O ALA A 129 9.753 9.594 37.903 1.00 0.00 ATOM 1005 C ALA A 129 10.373 10.655 37.807 1.00 0.00 ATOM 1006 N VAL A 130 9.797 11.836 37.700 1.00 0.00 ATOM 1007 CA VAL A 130 8.346 11.999 37.553 1.00 0.00 ATOM 1008 CB VAL A 130 7.760 12.846 38.695 1.00 0.00 ATOM 1009 CG1 VAL A 130 6.237 13.056 38.545 1.00 0.00 ATOM 1010 CG2 VAL A 130 8.001 12.174 40.040 1.00 0.00 ATOM 1011 O VAL A 130 8.807 13.608 35.833 1.00 0.00 ATOM 1012 C VAL A 130 8.102 12.678 36.211 1.00 0.00 ATOM 1013 N VAL A 131 7.079 12.182 35.526 1.00 0.00 ATOM 1014 CA VAL A 131 6.618 12.793 34.278 1.00 0.00 ATOM 1015 CB VAL A 131 7.003 11.931 33.071 1.00 0.00 ATOM 1016 CG1 VAL A 131 6.496 12.492 31.768 1.00 0.00 ATOM 1017 CG2 VAL A 131 8.492 12.011 32.872 1.00 0.00 ATOM 1018 O VAL A 131 4.441 11.891 34.595 1.00 0.00 ATOM 1019 C VAL A 131 5.106 12.901 34.401 1.00 0.00 ATOM 1020 N SER A 132 4.638 14.134 34.383 1.00 0.00 ATOM 1021 CA SER A 132 3.224 14.375 34.651 1.00 0.00 ATOM 1022 CB SER A 132 3.035 14.602 36.143 1.00 0.00 ATOM 1023 OG SER A 132 3.719 15.793 36.539 1.00 0.00 ATOM 1024 O SER A 132 3.324 16.553 33.582 1.00 0.00 ATOM 1025 C SER A 132 2.665 15.561 33.866 1.00 0.00 ATOM 1026 N ASN A 133 1.382 15.441 33.595 1.00 0.00 ATOM 1027 CA ASN A 133 0.649 16.530 32.938 1.00 0.00 ATOM 1028 CB ASN A 133 -0.395 15.964 32.005 1.00 0.00 ATOM 1029 CG ASN A 133 -1.249 14.853 32.581 1.00 0.00 ATOM 1030 ND2 ASN A 133 -2.487 14.939 32.227 1.00 0.00 ATOM 1031 OD1 ASN A 133 -0.849 13.878 33.195 1.00 0.00 ATOM 1032 O ASN A 133 -0.940 17.295 34.569 1.00 0.00 ATOM 1033 C ASN A 133 0.187 17.426 34.083 1.00 0.00 ATOM 1034 N LYS A 134 1.060 18.352 34.480 1.00 0.00 ATOM 1035 CA LYS A 134 0.753 19.314 35.550 1.00 0.00 ATOM 1036 CB LYS A 134 1.738 18.764 36.569 1.00 0.00 ATOM 1037 CG LYS A 134 1.329 17.399 37.113 1.00 0.00 ATOM 1038 CD LYS A 134 -0.057 17.191 37.722 1.00 0.00 ATOM 1039 CE LYS A 134 -0.189 15.735 38.178 1.00 0.00 ATOM 1040 NZ LYS A 134 -1.527 15.442 38.700 1.00 0.00 ATOM 1041 O LYS A 134 2.218 21.034 34.807 1.00 0.00 ATOM 1042 C LYS A 134 1.257 20.741 35.517 1.00 0.00 ATOM 1043 N PRO A 135 0.537 21.647 36.319 1.00 0.00 ATOM 1044 CA PRO A 135 1.025 23.026 36.321 1.00 0.00 ATOM 1045 CB PRO A 135 -0.153 23.822 36.877 1.00 0.00 ATOM 1046 CG PRO A 135 -1.062 22.845 37.524 1.00 0.00 ATOM 1047 CD PRO A 135 -0.801 21.490 36.943 1.00 0.00 ATOM 1048 O PRO A 135 2.006 22.490 38.455 1.00 0.00 ATOM 1049 C PRO A 135 2.196 22.933 37.324 1.00 0.00 ATOM 1050 N ASN A 136 3.364 23.386 36.907 1.00 0.00 ATOM 1051 CA ASN A 136 4.607 23.190 37.694 1.00 0.00 ATOM 1052 CB ASN A 136 5.829 23.839 37.041 1.00 0.00 ATOM 1053 CG ASN A 136 6.295 23.076 35.799 1.00 0.00 ATOM 1054 ND2 ASN A 136 7.031 23.784 34.995 1.00 0.00 ATOM 1055 OD1 ASN A 136 5.973 21.929 35.535 1.00 0.00 ATOM 1056 O ASN A 136 4.863 22.969 40.077 1.00 0.00 ATOM 1057 C ASN A 136 4.604 23.703 39.134 1.00 0.00 ATOM 1058 N GLU A 137 4.227 24.962 39.290 1.00 0.00 ATOM 1059 CA GLU A 137 4.230 25.617 40.608 1.00 0.00 ATOM 1060 CB GLU A 137 3.707 27.038 40.460 1.00 0.00 ATOM 1061 CG GLU A 137 3.850 27.873 41.730 1.00 0.00 ATOM 1062 CD GLU A 137 3.374 29.312 41.565 1.00 0.00 ATOM 1063 OE1 GLU A 137 2.902 29.619 40.451 1.00 0.00 ATOM 1064 OE2 GLU A 137 3.287 30.005 42.607 1.00 0.00 ATOM 1065 O GLU A 137 3.597 24.602 42.702 1.00 0.00 ATOM 1066 C GLU A 137 3.247 24.923 41.559 1.00 0.00 ATOM 1067 N ALA A 138 2.031 24.708 41.097 1.00 0.00 ATOM 1068 CA ALA A 138 1.038 24.044 41.938 1.00 0.00 ATOM 1069 CB ALA A 138 -0.328 24.071 41.295 1.00 0.00 ATOM 1070 O ALA A 138 1.304 22.147 43.368 1.00 0.00 ATOM 1071 C ALA A 138 1.494 22.634 42.253 1.00 0.00 ATOM 1072 N VAL A 139 2.069 21.930 41.266 1.00 0.00 ATOM 1073 CA VAL A 139 2.535 20.575 41.485 1.00 0.00 ATOM 1074 CB VAL A 139 2.958 20.009 40.137 1.00 0.00 ATOM 1075 CG1 VAL A 139 3.765 18.720 40.204 1.00 0.00 ATOM 1076 CG2 VAL A 139 1.592 19.733 39.547 1.00 0.00 ATOM 1077 O VAL A 139 3.705 19.580 43.275 1.00 0.00 ATOM 1078 C VAL A 139 3.669 20.521 42.497 1.00 0.00 ATOM 1079 N GLN A 140 4.486 21.556 42.481 1.00 0.00 ATOM 1080 CA GLN A 140 5.615 21.631 43.423 1.00 0.00 ATOM 1081 CB GLN A 140 6.474 22.832 43.106 1.00 0.00 ATOM 1082 CG GLN A 140 7.257 22.706 41.773 1.00 0.00 ATOM 1083 CD GLN A 140 8.108 23.890 41.524 1.00 0.00 ATOM 1084 OE1 GLN A 140 7.669 25.033 41.786 1.00 0.00 ATOM 1085 NE2 GLN A 140 9.318 23.665 40.972 1.00 0.00 ATOM 1086 O GLN A 140 5.646 20.942 45.692 1.00 0.00 ATOM 1087 C GLN A 140 5.115 21.673 44.861 1.00 0.00 ATOM 1088 N VAL A 141 4.040 22.420 45.090 1.00 0.00 ATOM 1089 CA VAL A 141 3.426 22.445 46.422 1.00 0.00 ATOM 1090 CB VAL A 141 2.288 23.477 46.488 1.00 0.00 ATOM 1091 CG1 VAL A 141 1.601 23.466 47.848 1.00 0.00 ATOM 1092 CG2 VAL A 141 2.825 24.894 46.407 1.00 0.00 ATOM 1093 O VAL A 141 3.069 20.574 47.912 1.00 0.00 ATOM 1094 C VAL A 141 2.910 21.037 46.789 1.00 0.00 ATOM 1095 N LEU A 142 2.275 20.395 45.808 1.00 0.00 ATOM 1096 CA LEU A 142 1.730 19.034 45.981 1.00 0.00 ATOM 1097 CB LEU A 142 0.919 18.623 44.752 1.00 0.00 ATOM 1098 CG LEU A 142 0.320 17.202 44.858 1.00 0.00 ATOM 1099 CD1 LEU A 142 -0.670 17.086 46.015 1.00 0.00 ATOM 1100 CD2 LEU A 142 -0.356 16.843 43.538 1.00 0.00 ATOM 1101 O LEU A 142 2.701 17.169 47.166 1.00 0.00 ATOM 1102 C LEU A 142 2.819 17.979 46.249 1.00 0.00 ATOM 1103 N VAL A 143 3.870 17.974 45.447 1.00 0.00 ATOM 1104 CA VAL A 143 4.964 17.028 45.642 1.00 0.00 ATOM 1105 CB VAL A 143 5.924 17.088 44.445 1.00 0.00 ATOM 1106 CG1 VAL A 143 7.072 16.124 44.649 1.00 0.00 ATOM 1107 CG2 VAL A 143 5.194 16.663 43.172 1.00 0.00 ATOM 1108 O VAL A 143 5.915 16.279 47.674 1.00 0.00 ATOM 1109 C VAL A 143 5.665 17.254 46.974 1.00 0.00 ATOM 1110 N GLU A 144 5.820 18.524 47.352 1.00 0.00 ATOM 1111 CA GLU A 144 6.411 18.911 48.646 1.00 0.00 ATOM 1112 CB GLU A 144 6.545 20.417 48.741 1.00 0.00 ATOM 1113 CG GLU A 144 7.290 20.851 50.014 1.00 0.00 ATOM 1114 CD GLU A 144 7.404 22.379 50.151 1.00 0.00 ATOM 1115 OE1 GLU A 144 6.908 23.075 49.251 1.00 0.00 ATOM 1116 OE2 GLU A 144 8.022 22.838 51.130 1.00 0.00 ATOM 1117 O GLU A 144 6.204 17.599 50.626 1.00 0.00 ATOM 1118 C GLU A 144 5.630 18.309 49.803 1.00 0.00 ATOM 1119 N GLU A 145 4.309 18.534 49.819 1.00 0.00 ATOM 1120 CA GLU A 145 3.459 17.968 50.873 1.00 0.00 ATOM 1121 CB GLU A 145 2.011 18.413 50.631 1.00 0.00 ATOM 1122 CG GLU A 145 1.169 18.092 51.870 1.00 0.00 ATOM 1123 CD GLU A 145 1.555 18.889 53.117 1.00 0.00 ATOM 1124 OE1 GLU A 145 1.775 20.118 52.971 1.00 0.00 ATOM 1125 OE2 GLU A 145 1.673 18.231 54.176 1.00 0.00 ATOM 1126 O GLU A 145 3.436 15.853 52.041 1.00 0.00 ATOM 1127 C GLU A 145 3.579 16.443 50.969 1.00 0.00 ATOM 1128 N LEU A 146 3.891 15.840 49.826 1.00 0.00 ATOM 1129 CA LEU A 146 4.191 14.401 49.640 1.00 0.00 ATOM 1130 CB LEU A 146 3.661 13.947 48.261 1.00 0.00 ATOM 1131 CG LEU A 146 2.267 14.298 47.717 1.00 0.00 ATOM 1132 CD1 LEU A 146 2.143 13.751 46.296 1.00 0.00 ATOM 1133 CD2 LEU A 146 1.098 13.721 48.494 1.00 0.00 ATOM 1134 O LEU A 146 5.968 13.059 50.508 1.00 0.00 ATOM 1135 C LEU A 146 5.591 13.777 49.587 1.00 0.00 ATOM 1136 N PHE A 147 6.489 13.951 48.511 1.00 0.00 ATOM 1137 CA PHE A 147 7.780 13.262 48.439 1.00 0.00 ATOM 1138 CB PHE A 147 7.147 12.224 47.505 1.00 0.00 ATOM 1139 CG PHE A 147 6.655 11.008 48.254 1.00 0.00 ATOM 1140 CD1 PHE A 147 5.346 10.979 48.647 1.00 0.00 ATOM 1141 CD2 PHE A 147 7.487 9.944 48.612 1.00 0.00 ATOM 1142 CE1 PHE A 147 4.897 9.943 49.406 1.00 0.00 ATOM 1143 CE2 PHE A 147 6.995 8.881 49.361 1.00 0.00 ATOM 1144 CZ PHE A 147 5.682 8.885 49.784 1.00 0.00 ATOM 1145 O PHE A 147 9.543 13.361 46.768 1.00 0.00 ATOM 1146 C PHE A 147 8.747 14.004 47.473 1.00 0.00 ATOM 1147 N PRO A 148 8.834 15.338 47.511 1.00 0.00 ATOM 1148 CA PRO A 148 9.559 16.135 46.507 1.00 0.00 ATOM 1149 CB PRO A 148 9.423 17.569 46.977 1.00 0.00 ATOM 1150 CG PRO A 148 9.378 17.452 48.507 1.00 0.00 ATOM 1151 CD PRO A 148 8.560 16.183 48.685 1.00 0.00 ATOM 1152 O PRO A 148 11.548 15.551 45.285 1.00 0.00 ATOM 1153 C PRO A 148 11.032 15.740 46.392 1.00 0.00 ATOM 1154 N GLY A 149 11.603 15.503 47.562 1.00 0.00 ATOM 1155 CA GLY A 149 13.028 15.160 47.732 1.00 0.00 ATOM 1156 O GLY A 149 14.557 13.598 46.768 1.00 0.00 ATOM 1157 C GLY A 149 13.398 13.803 47.141 1.00 0.00 ATOM 1158 N SER A 150 12.467 12.851 47.164 1.00 0.00 ATOM 1159 CA SER A 150 12.719 11.475 46.688 1.00 0.00 ATOM 1160 CB SER A 150 11.591 10.510 47.033 1.00 0.00 ATOM 1161 OG SER A 150 10.442 10.795 46.244 1.00 0.00 ATOM 1162 O SER A 150 13.232 10.146 44.768 1.00 0.00 ATOM 1163 C SER A 150 13.032 11.271 45.212 1.00 0.00 ATOM 1164 N PHE A 151 13.052 12.439 44.432 1.00 0.00 ATOM 1165 CA PHE A 151 13.276 12.332 42.999 1.00 0.00 ATOM 1166 CB PHE A 151 12.110 12.963 42.233 1.00 0.00 ATOM 1167 CG PHE A 151 10.756 12.387 42.654 1.00 0.00 ATOM 1168 CD1 PHE A 151 10.458 11.045 42.477 1.00 0.00 ATOM 1169 CD2 PHE A 151 9.794 13.223 43.190 1.00 0.00 ATOM 1170 CE1 PHE A 151 9.203 10.550 42.806 1.00 0.00 ATOM 1171 CE2 PHE A 151 8.542 12.722 43.538 1.00 0.00 ATOM 1172 CZ PHE A 151 8.241 11.385 43.341 1.00 0.00 ATOM 1173 O PHE A 151 14.967 14.042 43.000 1.00 0.00 ATOM 1174 C PHE A 151 14.569 12.985 42.511 1.00 0.00 ATOM 1175 N ASP A 152 15.215 12.336 41.544 1.00 0.00 ATOM 1176 CA ASP A 152 16.379 12.891 40.866 1.00 0.00 ATOM 1177 CB ASP A 152 17.171 11.770 40.187 1.00 0.00 ATOM 1178 CG ASP A 152 17.809 10.794 41.169 1.00 0.00 ATOM 1179 OD1 ASP A 152 18.551 11.218 42.090 1.00 0.00 ATOM 1180 OD2 ASP A 152 17.549 9.580 40.979 1.00 0.00 ATOM 1181 O ASP A 152 16.477 15.014 39.762 1.00 0.00 ATOM 1182 C ASP A 152 15.880 13.938 39.908 1.00 0.00 ATOM 1183 N PHE A 153 14.705 13.674 39.185 1.00 0.00 ATOM 1184 CA PHE A 153 14.108 14.614 38.259 1.00 0.00 ATOM 1185 CB PHE A 153 14.852 14.464 36.911 1.00 0.00 ATOM 1186 CG PHE A 153 16.354 14.631 36.972 1.00 0.00 ATOM 1187 CD1 PHE A 153 16.931 15.816 37.330 1.00 0.00 ATOM 1188 CD2 PHE A 153 17.116 13.524 36.652 1.00 0.00 ATOM 1189 CE1 PHE A 153 18.296 15.829 37.339 1.00 0.00 ATOM 1190 CE2 PHE A 153 18.500 13.561 36.672 1.00 0.00 ATOM 1191 CZ PHE A 153 19.064 14.770 37.037 1.00 0.00 ATOM 1192 O PHE A 153 11.921 13.591 38.479 1.00 0.00 ATOM 1193 C PHE A 153 12.576 14.602 38.262 1.00 0.00 ATOM 1194 N ALA A 154 12.014 15.780 38.022 1.00 0.00 ATOM 1195 CA ALA A 154 10.566 15.964 37.904 1.00 0.00 ATOM 1196 CB ALA A 154 10.072 16.654 39.174 1.00 0.00 ATOM 1197 O ALA A 154 10.941 17.855 36.481 1.00 0.00 ATOM 1198 C ALA A 154 10.289 16.832 36.673 1.00 0.00 ATOM 1199 N LEU A 155 9.508 16.268 35.767 1.00 0.00 ATOM 1200 CA LEU A 155 9.212 16.904 34.477 1.00 0.00 ATOM 1201 CB LEU A 155 9.805 16.067 33.348 1.00 0.00 ATOM 1202 CG LEU A 155 9.514 16.727 32.000 1.00 0.00 ATOM 1203 CD1 LEU A 155 10.362 17.967 31.726 1.00 0.00 ATOM 1204 CD2 LEU A 155 9.771 15.720 30.921 1.00 0.00 ATOM 1205 O LEU A 155 6.949 16.089 34.508 1.00 0.00 ATOM 1206 C LEU A 155 7.706 17.037 34.304 1.00 0.00 ATOM 1207 N GLY A 156 7.313 18.225 33.882 1.00 0.00 ATOM 1208 CA GLY A 156 5.903 18.587 33.725 1.00 0.00 ATOM 1209 O GLY A 156 6.539 19.484 31.597 1.00 0.00 ATOM 1210 C GLY A 156 5.647 18.966 32.264 1.00 0.00 ATOM 1211 N GLU A 157 4.407 18.758 31.843 1.00 0.00 ATOM 1212 CA GLU A 157 3.928 19.241 30.533 1.00 0.00 ATOM 1213 CB GLU A 157 2.444 18.875 30.379 1.00 0.00 ATOM 1214 CG GLU A 157 1.667 19.750 29.390 1.00 0.00 ATOM 1215 CD GLU A 157 0.886 20.874 30.077 1.00 0.00 ATOM 1216 OE1 GLU A 157 1.449 21.553 30.958 1.00 0.00 ATOM 1217 OE2 GLU A 157 -0.311 21.014 29.750 1.00 0.00 ATOM 1218 O GLU A 157 4.419 21.186 29.214 1.00 0.00 ATOM 1219 C GLU A 157 4.181 20.751 30.338 1.00 0.00 ATOM 1220 N LYS A 158 4.214 21.487 31.449 1.00 0.00 ATOM 1221 CA LYS A 158 4.443 22.934 31.391 1.00 0.00 ATOM 1222 CB LYS A 158 4.183 23.560 32.761 1.00 0.00 ATOM 1223 CG LYS A 158 4.323 25.081 32.764 1.00 0.00 ATOM 1224 CD LYS A 158 3.999 25.594 34.160 1.00 0.00 ATOM 1225 CE LYS A 158 4.123 27.107 34.197 1.00 0.00 ATOM 1226 NZ LYS A 158 3.919 27.684 35.520 1.00 0.00 ATOM 1227 O LYS A 158 6.078 24.087 30.057 1.00 0.00 ATOM 1228 C LYS A 158 5.863 23.201 30.886 1.00 0.00 ATOM 1229 N SER A 159 6.782 22.353 31.332 1.00 0.00 ATOM 1230 CA SER A 159 8.198 22.428 30.926 1.00 0.00 ATOM 1231 CB SER A 159 9.098 21.503 31.737 1.00 0.00 ATOM 1232 OG SER A 159 9.133 21.950 33.088 1.00 0.00 ATOM 1233 O SER A 159 8.990 22.630 28.677 1.00 0.00 ATOM 1234 C SER A 159 8.375 21.942 29.489 1.00 0.00 ATOM 1235 N GLY A 160 7.807 20.779 29.205 1.00 0.00 ATOM 1236 CA GLY A 160 7.897 20.196 27.866 1.00 0.00 ATOM 1237 O GLY A 160 7.619 20.858 25.670 1.00 0.00 ATOM 1238 C GLY A 160 7.197 21.020 26.804 1.00 0.00 ATOM 1239 N ILE A 161 6.108 21.721 27.152 1.00 0.00 ATOM 1240 CA ILE A 161 5.248 22.554 26.266 1.00 0.00 ATOM 1241 CB ILE A 161 5.995 23.323 25.148 1.00 0.00 ATOM 1242 CG1 ILE A 161 6.282 22.444 23.895 1.00 0.00 ATOM 1243 CG2 ILE A 161 7.161 24.118 25.752 1.00 0.00 ATOM 1244 CD1 ILE A 161 7.364 22.803 22.899 1.00 0.00 ATOM 1245 O ILE A 161 3.487 22.246 24.664 1.00 0.00 ATOM 1246 C ILE A 161 4.102 21.750 25.615 1.00 0.00 ATOM 1247 N ARG A 162 3.948 20.490 25.983 1.00 0.00 ATOM 1248 CA ARG A 162 2.890 19.614 25.433 1.00 0.00 ATOM 1249 CB ARG A 162 3.342 18.876 24.170 1.00 0.00 ATOM 1250 CG ARG A 162 3.721 19.753 22.984 1.00 0.00 ATOM 1251 CD ARG A 162 4.202 18.849 21.859 1.00 0.00 ATOM 1252 NE ARG A 162 4.480 19.661 20.679 1.00 0.00 ATOM 1253 CZ ARG A 162 4.861 19.161 19.506 1.00 0.00 ATOM 1254 NH1 ARG A 162 5.055 19.962 18.467 1.00 0.00 ATOM 1255 NH2 ARG A 162 4.978 17.856 19.323 1.00 0.00 ATOM 1256 O ARG A 162 3.219 18.090 27.275 1.00 0.00 ATOM 1257 C ARG A 162 2.446 18.571 26.442 1.00 0.00 ATOM 1258 N ARG A 163 1.189 18.178 26.282 1.00 0.00 ATOM 1259 CA ARG A 163 0.579 17.170 27.146 1.00 0.00 ATOM 1260 CB ARG A 163 -0.933 17.340 27.199 1.00 0.00 ATOM 1261 CG ARG A 163 -1.400 18.633 27.831 1.00 0.00 ATOM 1262 CD ARG A 163 -2.884 18.539 28.162 1.00 0.00 ATOM 1263 NE ARG A 163 -3.387 19.764 28.773 1.00 0.00 ATOM 1264 CZ ARG A 163 -4.631 19.930 29.224 1.00 0.00 ATOM 1265 NH1 ARG A 163 -5.519 18.942 29.139 1.00 0.00 ATOM 1266 NH2 ARG A 163 -4.991 21.090 29.757 1.00 0.00 ATOM 1267 O ARG A 163 0.778 15.596 25.329 1.00 0.00 ATOM 1268 C ARG A 163 0.787 15.771 26.547 1.00 0.00 ATOM 1269 N LYS A 164 0.867 14.786 27.431 1.00 0.00 ATOM 1270 CA LYS A 164 0.938 13.374 27.006 1.00 0.00 ATOM 1271 CB LYS A 164 0.953 12.440 28.227 1.00 0.00 ATOM 1272 CG LYS A 164 -0.361 12.315 28.989 1.00 0.00 ATOM 1273 CD LYS A 164 -0.227 11.363 30.166 1.00 0.00 ATOM 1274 CE LYS A 164 -1.564 11.280 30.912 1.00 0.00 ATOM 1275 NZ LYS A 164 -1.493 10.376 32.064 1.00 0.00 ATOM 1276 O LYS A 164 -1.328 13.630 26.284 1.00 0.00 ATOM 1277 C LYS A 164 -0.245 13.071 26.093 1.00 0.00 ATOM 1278 N PRO A 165 -0.136 12.172 25.160 1.00 0.00 ATOM 1279 CA PRO A 165 1.078 11.391 24.909 1.00 0.00 ATOM 1280 CB PRO A 165 0.512 10.047 24.428 1.00 0.00 ATOM 1281 CG PRO A 165 -0.649 10.501 23.595 1.00 0.00 ATOM 1282 CD PRO A 165 -1.295 11.642 24.400 1.00 0.00 ATOM 1283 O PRO A 165 2.841 11.198 23.304 1.00 0.00 ATOM 1284 C PRO A 165 2.005 11.924 23.876 1.00 0.00 ATOM 1285 N ALA A 166 1.987 13.365 23.647 1.00 0.00 ATOM 1286 CA ALA A 166 3.002 13.947 22.773 1.00 0.00 ATOM 1287 CB ALA A 166 2.917 15.468 22.923 1.00 0.00 ATOM 1288 O ALA A 166 4.789 13.393 24.298 1.00 0.00 ATOM 1289 C ALA A 166 4.433 13.488 23.122 1.00 0.00 ATOM 1290 N PRO A 167 5.297 13.266 22.146 1.00 0.00 ATOM 1291 CA PRO A 167 6.648 12.708 22.403 1.00 0.00 ATOM 1292 CB PRO A 167 7.131 12.326 21.016 1.00 0.00 ATOM 1293 CG PRO A 167 6.495 13.377 20.116 1.00 0.00 ATOM 1294 CD PRO A 167 5.102 13.553 20.721 1.00 0.00 ATOM 1295 O PRO A 167 8.453 13.167 23.920 1.00 0.00 ATOM 1296 C PRO A 167 7.611 13.639 23.164 1.00 0.00 ATOM 1297 N ASP A 168 7.393 14.958 23.057 1.00 0.00 ATOM 1298 CA ASP A 168 8.293 15.964 23.662 1.00 0.00 ATOM 1299 CB ASP A 168 7.921 17.411 23.326 1.00 0.00 ATOM 1300 CG ASP A 168 8.104 17.792 21.861 1.00 0.00 ATOM 1301 OD1 ASP A 168 8.839 17.059 21.171 1.00 0.00 ATOM 1302 OD2 ASP A 168 7.508 18.808 21.451 1.00 0.00 ATOM 1303 O ASP A 168 9.523 16.092 25.721 1.00 0.00 ATOM 1304 C ASP A 168 8.434 15.881 25.177 1.00 0.00 ATOM 1305 N MET A 169 7.329 15.587 25.901 1.00 0.00 ATOM 1306 CA MET A 169 7.383 15.405 27.341 1.00 0.00 ATOM 1307 CB MET A 169 5.964 15.227 27.890 1.00 0.00 ATOM 1308 CG MET A 169 5.943 15.136 29.417 1.00 0.00 ATOM 1309 SD MET A 169 4.276 14.808 30.109 1.00 0.00 ATOM 1310 CE MET A 169 4.019 13.107 29.650 1.00 0.00 ATOM 1311 O MET A 169 9.241 14.430 28.493 1.00 0.00 ATOM 1312 C MET A 169 8.297 14.230 27.742 1.00 0.00 ATOM 1313 N THR A 170 8.155 13.101 27.072 1.00 0.00 ATOM 1314 CA THR A 170 9.036 11.943 27.325 1.00 0.00 ATOM 1315 CB THR A 170 8.493 10.707 26.560 1.00 0.00 ATOM 1316 CG2 THR A 170 9.402 9.510 26.775 1.00 0.00 ATOM 1317 OG1 THR A 170 7.175 10.396 27.030 1.00 0.00 ATOM 1318 O THR A 170 11.392 11.980 27.661 1.00 0.00 ATOM 1319 C THR A 170 10.448 12.295 26.925 1.00 0.00 ATOM 1320 N SER A 171 10.630 13.006 25.767 1.00 0.00 ATOM 1321 CA SER A 171 11.974 13.345 25.320 1.00 0.00 ATOM 1322 CB SER A 171 11.903 14.062 23.980 1.00 0.00 ATOM 1323 OG SER A 171 11.470 13.190 22.934 1.00 0.00 ATOM 1324 O SER A 171 13.875 14.089 26.592 1.00 0.00 ATOM 1325 C SER A 171 12.687 14.256 26.319 1.00 0.00 ATOM 1326 N GLU A 172 11.959 15.243 26.894 1.00 0.00 ATOM 1327 CA GLU A 172 12.579 16.160 27.842 1.00 0.00 ATOM 1328 CB GLU A 172 11.599 17.282 28.183 1.00 0.00 ATOM 1329 CG GLU A 172 11.353 18.262 27.038 1.00 0.00 ATOM 1330 CD GLU A 172 12.645 18.933 26.543 1.00 0.00 ATOM 1331 OE1 GLU A 172 13.364 19.523 27.397 1.00 0.00 ATOM 1332 OE2 GLU A 172 12.898 18.847 25.319 1.00 0.00 ATOM 1333 O GLU A 172 14.094 15.682 29.639 1.00 0.00 ATOM 1334 C GLU A 172 13.015 15.430 29.099 1.00 0.00 ATOM 1335 N CYS A 173 12.171 14.491 29.585 1.00 0.00 ATOM 1336 CA CYS A 173 12.506 13.723 30.768 1.00 0.00 ATOM 1337 CB CYS A 173 11.400 12.764 31.175 1.00 0.00 ATOM 1338 SG CYS A 173 11.751 12.201 32.873 1.00 0.00 ATOM 1339 O CYS A 173 14.645 12.820 31.365 1.00 0.00 ATOM 1340 C CYS A 173 13.751 12.876 30.527 1.00 0.00 ATOM 1341 N VAL A 174 13.808 12.221 29.372 1.00 0.00 ATOM 1342 CA VAL A 174 14.958 11.389 29.036 1.00 0.00 ATOM 1343 CB VAL A 174 14.528 10.771 27.697 1.00 0.00 ATOM 1344 CG1 VAL A 174 15.657 10.274 26.822 1.00 0.00 ATOM 1345 CG2 VAL A 174 13.616 9.561 27.929 1.00 0.00 ATOM 1346 O VAL A 174 17.299 11.803 29.453 1.00 0.00 ATOM 1347 C VAL A 174 16.245 12.233 28.980 1.00 0.00 ATOM 1348 N LYS A 175 16.140 13.425 28.389 1.00 0.00 ATOM 1349 CA LYS A 175 17.277 14.351 28.262 1.00 0.00 ATOM 1350 CB LYS A 175 16.937 15.558 27.391 1.00 0.00 ATOM 1351 CG LYS A 175 16.764 15.184 25.920 1.00 0.00 ATOM 1352 CD LYS A 175 16.486 16.430 25.088 1.00 0.00 ATOM 1353 CE LYS A 175 16.281 16.075 23.620 1.00 0.00 ATOM 1354 NZ LYS A 175 15.981 17.262 22.817 1.00 0.00 ATOM 1355 O LYS A 175 18.965 14.780 29.897 1.00 0.00 ATOM 1356 C LYS A 175 17.771 14.869 29.613 1.00 0.00 ATOM 1357 N VAL A 176 16.828 15.184 30.493 1.00 0.00 ATOM 1358 CA VAL A 176 17.207 15.684 31.834 1.00 0.00 ATOM 1359 CB VAL A 176 15.998 16.305 32.527 1.00 0.00 ATOM 1360 CG1 VAL A 176 16.452 16.998 33.795 1.00 0.00 ATOM 1361 CG2 VAL A 176 15.388 17.458 31.733 1.00 0.00 ATOM 1362 O VAL A 176 18.822 14.837 33.427 1.00 0.00 ATOM 1363 C VAL A 176 17.904 14.586 32.655 1.00 0.00 ATOM 1364 N LEU A 177 17.525 13.335 32.406 1.00 0.00 ATOM 1365 CA LEU A 177 18.166 12.186 33.077 1.00 0.00 ATOM 1366 CB LEU A 177 17.219 10.991 33.132 1.00 0.00 ATOM 1367 CG LEU A 177 15.946 11.232 33.940 1.00 0.00 ATOM 1368 CD1 LEU A 177 15.047 10.028 33.833 1.00 0.00 ATOM 1369 CD2 LEU A 177 16.297 11.262 35.405 1.00 0.00 ATOM 1370 O LEU A 177 20.204 10.913 33.007 1.00 0.00 ATOM 1371 C LEU A 177 19.437 11.671 32.411 1.00 0.00 ATOM 1372 N GLY A 178 19.688 12.080 31.136 1.00 0.00 ATOM 1373 CA GLY A 178 20.851 11.664 30.372 1.00 0.00 ATOM 1374 O GLY A 178 21.797 9.482 30.071 1.00 0.00 ATOM 1375 C GLY A 178 20.775 10.184 30.023 1.00 0.00 ATOM 1376 N VAL A 179 19.582 9.691 29.671 1.00 0.00 ATOM 1377 CA VAL A 179 19.427 8.278 29.318 1.00 0.00 ATOM 1378 CB VAL A 179 18.721 7.480 30.401 1.00 0.00 ATOM 1379 CG1 VAL A 179 19.614 7.353 31.632 1.00 0.00 ATOM 1380 CG2 VAL A 179 17.469 8.153 30.794 1.00 0.00 ATOM 1381 O VAL A 179 17.767 8.960 27.775 1.00 0.00 ATOM 1382 C VAL A 179 18.566 8.104 28.073 1.00 0.00 ATOM 1383 N PRO A 180 18.754 7.019 27.331 1.00 0.00 ATOM 1384 CA PRO A 180 17.926 6.804 26.145 1.00 0.00 ATOM 1385 CB PRO A 180 18.678 5.757 25.370 1.00 0.00 ATOM 1386 CG PRO A 180 19.580 5.093 26.372 1.00 0.00 ATOM 1387 CD PRO A 180 20.069 6.260 27.196 1.00 0.00 ATOM 1388 O PRO A 180 16.615 5.540 27.693 1.00 0.00 ATOM 1389 C PRO A 180 16.638 6.164 26.625 1.00 0.00 ATOM 1390 N ARG A 181 15.629 6.222 25.766 1.00 0.00 ATOM 1391 CA ARG A 181 14.310 5.609 26.040 1.00 0.00 ATOM 1392 CB ARG A 181 13.429 5.795 24.816 1.00 0.00 ATOM 1393 CG ARG A 181 12.976 7.253 24.787 1.00 0.00 ATOM 1394 CD ARG A 181 12.212 7.621 23.512 1.00 0.00 ATOM 1395 NE ARG A 181 12.986 7.377 22.287 1.00 0.00 ATOM 1396 CZ ARG A 181 12.520 7.611 21.066 1.00 0.00 ATOM 1397 NH1 ARG A 181 11.261 7.957 20.862 1.00 0.00 ATOM 1398 NH2 ARG A 181 13.329 7.639 20.033 1.00 0.00 ATOM 1399 O ARG A 181 13.795 3.702 27.344 1.00 0.00 ATOM 1400 C ARG A 181 14.449 4.137 26.380 1.00 0.00 ATOM 1401 N ASP A 182 15.267 3.397 25.677 1.00 0.00 ATOM 1402 CA ASP A 182 15.482 1.975 25.949 1.00 0.00 ATOM 1403 CB ASP A 182 16.454 1.428 24.916 1.00 0.00 ATOM 1404 CG ASP A 182 15.816 1.377 23.543 1.00 0.00 ATOM 1405 OD1 ASP A 182 14.600 1.108 23.534 1.00 0.00 ATOM 1406 OD2 ASP A 182 16.578 1.577 22.587 1.00 0.00 ATOM 1407 O ASP A 182 15.950 0.505 27.792 1.00 0.00 ATOM 1408 C ASP A 182 16.013 1.649 27.341 1.00 0.00 ATOM 1409 N LYS A 183 16.700 2.619 27.933 1.00 0.00 ATOM 1410 CA LYS A 183 17.255 2.457 29.290 1.00 0.00 ATOM 1411 CB LYS A 183 18.548 3.260 29.444 1.00 0.00 ATOM 1412 CG LYS A 183 19.706 2.732 28.597 1.00 0.00 ATOM 1413 CD LYS A 183 20.983 3.507 28.928 1.00 0.00 ATOM 1414 CE LYS A 183 22.097 3.150 27.945 1.00 0.00 ATOM 1415 NZ LYS A 183 23.315 3.959 28.044 1.00 0.00 ATOM 1416 O LYS A 183 16.700 3.064 31.548 1.00 0.00 ATOM 1417 C LYS A 183 16.284 2.885 30.396 1.00 0.00 ATOM 1418 N CYS A 184 15.026 3.116 30.033 1.00 0.00 ATOM 1419 CA CYS A 184 14.030 3.653 30.973 1.00 0.00 ATOM 1420 CB CYS A 184 13.550 5.042 30.532 1.00 0.00 ATOM 1421 SG CYS A 184 14.919 6.228 30.376 1.00 0.00 ATOM 1422 O CYS A 184 12.237 2.333 30.052 1.00 0.00 ATOM 1423 C CYS A 184 12.734 2.872 31.038 1.00 0.00 ATOM 1424 N VAL A 185 12.161 2.982 32.223 1.00 0.00 ATOM 1425 CA VAL A 185 10.845 2.431 32.522 1.00 0.00 ATOM 1426 CB VAL A 185 10.937 1.449 33.690 1.00 0.00 ATOM 1427 CG1 VAL A 185 9.562 0.884 33.989 1.00 0.00 ATOM 1428 CG2 VAL A 185 11.849 0.249 33.408 1.00 0.00 ATOM 1429 O VAL A 185 10.338 4.572 33.509 1.00 0.00 ATOM 1430 C VAL A 185 9.915 3.610 32.866 1.00 0.00 ATOM 1431 N TYR A 186 8.670 3.518 32.414 1.00 0.00 ATOM 1432 CA TYR A 186 7.633 4.476 32.809 1.00 0.00 ATOM 1433 CB TYR A 186 7.114 5.247 31.585 1.00 0.00 ATOM 1434 CG TYR A 186 6.086 6.316 31.943 1.00 0.00 ATOM 1435 CD1 TYR A 186 6.462 7.503 32.546 1.00 0.00 ATOM 1436 CD2 TYR A 186 4.754 6.089 31.643 1.00 0.00 ATOM 1437 CE1 TYR A 186 5.509 8.461 32.857 1.00 0.00 ATOM 1438 CE2 TYR A 186 3.793 7.035 31.944 1.00 0.00 ATOM 1439 CZ TYR A 186 4.168 8.228 32.560 1.00 0.00 ATOM 1440 OH TYR A 186 3.265 9.202 32.769 1.00 0.00 ATOM 1441 O TYR A 186 5.958 2.741 32.957 1.00 0.00 ATOM 1442 C TYR A 186 6.494 3.715 33.489 1.00 0.00 ATOM 1443 N ILE A 187 6.135 4.217 34.657 1.00 0.00 ATOM 1444 CA ILE A 187 5.059 3.616 35.460 1.00 0.00 ATOM 1445 CB ILE A 187 5.606 3.194 36.860 1.00 0.00 ATOM 1446 CG1 ILE A 187 6.703 2.136 36.706 1.00 0.00 ATOM 1447 CG2 ILE A 187 4.478 2.688 37.744 1.00 0.00 ATOM 1448 CD1 ILE A 187 7.459 1.829 37.992 1.00 0.00 ATOM 1449 O ILE A 187 4.041 5.696 36.065 1.00 0.00 ATOM 1450 C ILE A 187 3.904 4.599 35.513 1.00 0.00 ATOM 1451 N GLY A 188 2.750 4.101 35.115 1.00 0.00 ATOM 1452 CA GLY A 188 1.563 4.951 35.018 1.00 0.00 ATOM 1453 O GLY A 188 0.268 2.973 35.492 1.00 0.00 ATOM 1454 C GLY A 188 0.277 4.195 35.340 1.00 0.00 ATOM 1455 N ASP A 189 -0.816 4.945 35.279 1.00 0.00 ATOM 1456 CA ASP A 189 -2.124 4.352 35.544 1.00 0.00 ATOM 1457 CB ASP A 189 -2.753 5.034 36.757 1.00 0.00 ATOM 1458 CG ASP A 189 -3.087 6.507 36.494 1.00 0.00 ATOM 1459 OD1 ASP A 189 -2.766 7.057 35.415 1.00 0.00 ATOM 1460 OD2 ASP A 189 -3.706 7.073 37.410 1.00 0.00 ATOM 1461 O ASP A 189 -4.273 4.111 34.641 1.00 0.00 ATOM 1462 C ASP A 189 -3.121 4.446 34.385 1.00 0.00 ATOM 1463 N SER A 190 -2.683 4.948 33.223 1.00 0.00 ATOM 1464 CA SER A 190 -3.528 5.092 32.023 1.00 0.00 ATOM 1465 CB SER A 190 -3.670 6.562 31.609 1.00 0.00 ATOM 1466 OG SER A 190 -4.490 6.701 30.433 1.00 0.00 ATOM 1467 O SER A 190 -1.781 4.526 30.454 1.00 0.00 ATOM 1468 C SER A 190 -2.858 4.193 30.974 1.00 0.00 ATOM 1469 N GLU A 191 -3.571 3.176 30.504 1.00 0.00 ATOM 1470 CA GLU A 191 -3.092 2.297 29.409 1.00 0.00 ATOM 1471 CB GLU A 191 -4.122 1.259 28.941 1.00 0.00 ATOM 1472 CG GLU A 191 -5.251 0.900 29.906 1.00 0.00 ATOM 1473 CD GLU A 191 -6.533 1.731 29.729 1.00 0.00 ATOM 1474 OE1 GLU A 191 -6.667 2.476 28.730 1.00 0.00 ATOM 1475 OE2 GLU A 191 -7.392 1.580 30.613 1.00 0.00 ATOM 1476 O GLU A 191 -1.864 2.824 27.436 1.00 0.00 ATOM 1477 C GLU A 191 -2.866 3.052 28.103 1.00 0.00 ATOM 1478 N ILE A 192 -3.806 3.955 27.716 1.00 0.00 ATOM 1479 CA ILE A 192 -3.681 4.604 26.417 1.00 0.00 ATOM 1480 CB ILE A 192 -4.976 5.349 26.073 1.00 0.00 ATOM 1481 CG1 ILE A 192 -6.166 4.383 25.988 1.00 0.00 ATOM 1482 CG2 ILE A 192 -4.830 5.986 24.695 1.00 0.00 ATOM 1483 CD1 ILE A 192 -7.513 5.126 25.961 1.00 0.00 ATOM 1484 O ILE A 192 -1.591 5.433 25.514 1.00 0.00 ATOM 1485 C ILE A 192 -2.437 5.517 26.401 1.00 0.00 ATOM 1486 N ASP A 193 -2.304 6.293 27.468 1.00 0.00 ATOM 1487 CA ASP A 193 -1.115 7.149 27.660 1.00 0.00 ATOM 1488 CB ASP A 193 -1.254 7.981 28.921 1.00 0.00 ATOM 1489 CG ASP A 193 -2.423 8.962 28.832 1.00 0.00 ATOM 1490 OD1 ASP A 193 -2.518 9.698 27.842 1.00 0.00 ATOM 1491 OD2 ASP A 193 -3.169 9.000 29.827 1.00 0.00 ATOM 1492 O ASP A 193 1.171 6.610 27.100 1.00 0.00 ATOM 1493 C ASP A 193 0.175 6.332 27.787 1.00 0.00 ATOM 1494 N ILE A 194 0.112 5.299 28.619 1.00 0.00 ATOM 1495 CA ILE A 194 1.265 4.417 28.884 1.00 0.00 ATOM 1496 CB ILE A 194 0.971 3.407 30.005 1.00 0.00 ATOM 1497 CG1 ILE A 194 0.739 4.105 31.346 1.00 0.00 ATOM 1498 CG2 ILE A 194 2.167 2.482 30.197 1.00 0.00 ATOM 1499 CD1 ILE A 194 0.082 3.121 32.333 1.00 0.00 ATOM 1500 O ILE A 194 2.830 3.876 27.189 1.00 0.00 ATOM 1501 C ILE A 194 1.674 3.708 27.585 1.00 0.00 ATOM 1502 N GLN A 195 0.678 3.279 26.816 1.00 0.00 ATOM 1503 CA GLN A 195 0.909 2.593 25.543 1.00 0.00 ATOM 1504 CB GLN A 195 -0.425 2.224 24.898 1.00 0.00 ATOM 1505 CG GLN A 195 -0.190 1.421 23.625 1.00 0.00 ATOM 1506 CD GLN A 195 0.453 0.074 23.916 1.00 0.00 ATOM 1507 OE1 GLN A 195 0.040 -0.657 24.799 1.00 0.00 ATOM 1508 NE2 GLN A 195 1.387 -0.299 23.085 1.00 0.00 ATOM 1509 O GLN A 195 2.634 3.048 23.945 1.00 0.00 ATOM 1510 C GLN A 195 1.682 3.487 24.584 1.00 0.00 ATOM 1511 N THR A 196 1.282 4.771 24.483 1.00 0.00 ATOM 1512 CA THR A 196 1.960 5.695 23.589 1.00 0.00 ATOM 1513 CB THR A 196 1.252 7.057 23.550 1.00 0.00 ATOM 1514 CG2 THR A 196 1.958 8.018 22.588 1.00 0.00 ATOM 1515 OG1 THR A 196 -0.096 6.878 23.097 1.00 0.00 ATOM 1516 O THR A 196 4.301 5.973 23.119 1.00 0.00 ATOM 1517 C THR A 196 3.423 5.915 23.991 1.00 0.00 ATOM 1518 N ALA A 197 3.677 5.955 25.296 1.00 0.00 ATOM 1519 CA ALA A 197 5.033 6.141 25.831 1.00 0.00 ATOM 1520 CB ALA A 197 5.017 6.215 27.359 1.00 0.00 ATOM 1521 O ALA A 197 7.154 5.277 25.099 1.00 0.00 ATOM 1522 C ALA A 197 5.989 5.022 25.428 1.00 0.00 ATOM 1523 N ARG A 198 5.503 3.771 25.444 1.00 0.00 ATOM 1524 CA ARG A 198 6.314 2.615 25.088 1.00 0.00 ATOM 1525 CB ARG A 198 5.527 1.331 25.273 1.00 0.00 ATOM 1526 CG ARG A 198 6.365 0.085 25.048 1.00 0.00 ATOM 1527 CD ARG A 198 5.512 -1.115 25.366 1.00 0.00 ATOM 1528 NE ARG A 198 6.217 -2.357 25.054 1.00 0.00 ATOM 1529 CZ ARG A 198 5.668 -3.561 25.208 1.00 0.00 ATOM 1530 NH1 ARG A 198 6.340 -4.646 24.904 1.00 0.00 ATOM 1531 NH2 ARG A 198 4.466 -3.733 25.676 1.00 0.00 ATOM 1532 O ARG A 198 7.814 2.125 23.261 1.00 0.00 ATOM 1533 C ARG A 198 6.765 2.644 23.626 1.00 0.00 ATOM 1534 N ASN A 199 5.915 3.229 22.778 1.00 0.00 ATOM 1535 CA ASN A 199 6.210 3.354 21.336 1.00 0.00 ATOM 1536 CB ASN A 199 5.060 3.983 20.556 1.00 0.00 ATOM 1537 CG ASN A 199 3.896 3.008 20.464 1.00 0.00 ATOM 1538 ND2 ASN A 199 2.767 3.577 20.213 1.00 0.00 ATOM 1539 OD1 ASN A 199 3.985 1.789 20.606 1.00 0.00 ATOM 1540 O ASN A 199 8.103 4.024 20.009 1.00 0.00 ATOM 1541 C ASN A 199 7.453 4.182 21.041 1.00 0.00 ATOM 1542 N SER A 200 7.760 5.072 21.962 1.00 0.00 ATOM 1543 CA SER A 200 9.035 5.786 21.907 1.00 0.00 ATOM 1544 CB SER A 200 8.756 7.215 22.394 1.00 0.00 ATOM 1545 OG SER A 200 8.440 7.277 23.784 1.00 0.00 ATOM 1546 O SER A 200 10.900 5.553 23.419 1.00 0.00 ATOM 1547 C SER A 200 10.104 4.980 22.665 1.00 0.00 ATOM 1548 N GLU A 201 10.086 3.581 22.567 1.00 0.00 ATOM 1549 CA GLU A 201 11.069 2.706 23.223 1.00 0.00 ATOM 1550 CB GLU A 201 12.476 3.048 22.752 1.00 0.00 ATOM 1551 CG GLU A 201 12.627 3.001 21.232 1.00 0.00 ATOM 1552 CD GLU A 201 14.048 3.358 20.742 1.00 0.00 ATOM 1553 OE1 GLU A 201 14.885 3.781 21.566 1.00 0.00 ATOM 1554 OE2 GLU A 201 14.153 3.534 19.505 1.00 0.00 ATOM 1555 O GLU A 201 11.911 1.491 25.134 1.00 0.00 ATOM 1556 C GLU A 201 11.157 2.380 24.736 1.00 0.00 ATOM 1557 N MET A 202 10.449 3.108 25.599 1.00 0.00 ATOM 1558 CA MET A 202 10.462 2.806 27.041 1.00 0.00 ATOM 1559 CB MET A 202 9.982 4.055 27.840 1.00 0.00 ATOM 1560 CG MET A 202 10.631 5.402 27.557 1.00 0.00 ATOM 1561 SD MET A 202 9.720 6.714 28.451 1.00 0.00 ATOM 1562 CE MET A 202 11.020 7.675 29.169 1.00 0.00 ATOM 1563 O MET A 202 8.816 1.075 26.654 1.00 0.00 ATOM 1564 C MET A 202 9.726 1.491 27.376 1.00 0.00 ATOM 1565 N ASP A 203 10.076 0.923 28.523 1.00 0.00 ATOM 1566 CA ASP A 203 9.373 -0.240 29.091 1.00 0.00 ATOM 1567 CB ASP A 203 10.290 -1.004 29.976 1.00 0.00 ATOM 1568 CG ASP A 203 9.591 -2.130 30.710 1.00 0.00 ATOM 1569 OD1 ASP A 203 8.646 -2.752 30.117 1.00 0.00 ATOM 1570 OD2 ASP A 203 9.929 -2.405 31.861 1.00 0.00 ATOM 1571 O ASP A 203 8.509 1.088 30.920 1.00 0.00 ATOM 1572 C ASP A 203 8.267 0.268 30.028 1.00 0.00 ATOM 1573 N GLU A 204 7.048 -0.193 29.779 1.00 0.00 ATOM 1574 CA GLU A 204 5.908 0.330 30.536 1.00 0.00 ATOM 1575 CB GLU A 204 4.850 0.783 29.529 1.00 0.00 ATOM 1576 CG GLU A 204 4.318 -0.330 28.622 1.00 0.00 ATOM 1577 CD GLU A 204 3.404 0.150 27.483 1.00 0.00 ATOM 1578 OE1 GLU A 204 3.400 1.355 27.203 1.00 0.00 ATOM 1579 OE2 GLU A 204 2.855 -0.739 26.799 1.00 0.00 ATOM 1580 O GLU A 204 5.123 -1.805 31.387 1.00 0.00 ATOM 1581 C GLU A 204 5.365 -0.620 31.613 1.00 0.00 ATOM 1582 N ILE A 205 5.176 -0.013 32.782 1.00 0.00 ATOM 1583 CA ILE A 205 4.607 -0.702 33.945 1.00 0.00 ATOM 1584 CB ILE A 205 5.591 -0.786 35.120 1.00 0.00 ATOM 1585 CG1 ILE A 205 6.945 -1.419 34.740 1.00 0.00 ATOM 1586 CG2 ILE A 205 4.894 -1.717 36.110 1.00 0.00 ATOM 1587 CD1 ILE A 205 8.003 -1.372 35.859 1.00 0.00 ATOM 1588 O ILE A 205 3.319 1.157 34.809 1.00 0.00 ATOM 1589 C ILE A 205 3.314 0.015 34.365 1.00 0.00 ATOM 1590 N ALA A 206 2.232 -0.746 34.279 1.00 0.00 ATOM 1591 CA ALA A 206 0.905 -0.252 34.690 1.00 0.00 ATOM 1592 CB ALA A 206 -0.134 -0.925 33.803 1.00 0.00 ATOM 1593 O ALA A 206 0.680 -1.681 36.583 1.00 0.00 ATOM 1594 C ALA A 206 0.619 -0.526 36.165 1.00 0.00 ATOM 1595 N VAL A 207 0.314 0.527 36.975 1.00 0.00 ATOM 1596 CA VAL A 207 -0.131 0.344 38.347 1.00 0.00 ATOM 1597 CB VAL A 207 0.278 1.519 39.245 1.00 0.00 ATOM 1598 CG1 VAL A 207 -0.178 1.339 40.698 1.00 0.00 ATOM 1599 CG2 VAL A 207 1.792 1.635 39.293 1.00 0.00 ATOM 1600 O VAL A 207 -2.390 1.142 38.032 1.00 0.00 ATOM 1601 C VAL A 207 -1.652 0.208 38.347 1.00 0.00 ATOM 1602 N ASN A 208 -2.083 -0.961 38.777 1.00 0.00 ATOM 1603 CA ASN A 208 -3.518 -1.263 38.917 1.00 0.00 ATOM 1604 CB ASN A 208 -3.940 -2.168 37.786 1.00 0.00 ATOM 1605 CG ASN A 208 -5.453 -2.259 37.638 1.00 0.00 ATOM 1606 ND2 ASN A 208 -5.851 -3.235 36.884 1.00 0.00 ATOM 1607 OD1 ASN A 208 -6.277 -1.606 38.273 1.00 0.00 ATOM 1608 O ASN A 208 -3.253 -3.007 40.559 1.00 0.00 ATOM 1609 C ASN A 208 -3.608 -1.843 40.332 1.00 0.00 ATOM 1610 N TRP A 209 -4.087 -1.034 41.271 1.00 0.00 ATOM 1611 CA TRP A 209 -4.162 -1.411 42.672 1.00 0.00 ATOM 1612 CB TRP A 209 -4.706 -0.134 43.347 1.00 0.00 ATOM 1613 CG TRP A 209 -4.277 1.234 42.790 1.00 0.00 ATOM 1614 CD1 TRP A 209 -4.597 1.732 41.586 1.00 0.00 ATOM 1615 CD2 TRP A 209 -3.548 2.209 43.445 1.00 0.00 ATOM 1616 CE2 TRP A 209 -3.434 3.277 42.560 1.00 0.00 ATOM 1617 CE3 TRP A 209 -2.969 2.307 44.708 1.00 0.00 ATOM 1618 NE1 TRP A 209 -4.080 2.961 41.446 1.00 0.00 ATOM 1619 CZ2 TRP A 209 -2.741 4.423 42.932 1.00 0.00 ATOM 1620 CZ3 TRP A 209 -2.262 3.444 45.063 1.00 0.00 ATOM 1621 CH2 TRP A 209 -2.143 4.503 44.174 1.00 0.00 ATOM 1622 O TRP A 209 -5.194 -3.282 43.707 1.00 0.00 ATOM 1623 C TRP A 209 -5.295 -2.396 42.874 1.00 0.00 ATOM 1624 N GLY A 210 -6.388 -2.260 42.196 1.00 0.00 ATOM 1625 CA GLY A 210 -7.570 -3.077 42.405 1.00 0.00 ATOM 1626 O GLY A 210 -9.056 -4.441 41.158 1.00 0.00 ATOM 1627 C GLY A 210 -7.931 -3.959 41.209 1.00 0.00 ATOM 1628 N PHE A 211 -7.039 -4.060 40.228 1.00 0.00 ATOM 1629 CA PHE A 211 -7.263 -4.898 39.032 1.00 0.00 ATOM 1630 CB PHE A 211 -7.378 -6.382 39.403 1.00 0.00 ATOM 1631 CG PHE A 211 -6.120 -6.909 40.081 1.00 0.00 ATOM 1632 CD1 PHE A 211 -6.083 -7.118 41.436 1.00 0.00 ATOM 1633 CD2 PHE A 211 -5.021 -7.219 39.326 1.00 0.00 ATOM 1634 CE1 PHE A 211 -4.914 -7.622 42.002 1.00 0.00 ATOM 1635 CE2 PHE A 211 -3.843 -7.699 39.874 1.00 0.00 ATOM 1636 CZ PHE A 211 -3.802 -7.918 41.226 1.00 0.00 ATOM 1637 O PHE A 211 -9.345 -5.326 37.919 1.00 0.00 ATOM 1638 C PHE A 211 -8.536 -4.479 38.303 1.00 0.00 ATOM 1639 N ARG A 212 -8.724 -3.147 38.141 1.00 0.00 ATOM 1640 CA ARG A 212 -9.907 -2.610 37.470 1.00 0.00 ATOM 1641 CB ARG A 212 -10.213 -1.324 38.212 1.00 0.00 ATOM 1642 CG ARG A 212 -10.729 -1.568 39.631 1.00 0.00 ATOM 1643 CD ARG A 212 -11.037 -0.248 40.305 1.00 0.00 ATOM 1644 NE ARG A 212 -9.854 0.616 40.342 1.00 0.00 ATOM 1645 CZ ARG A 212 -9.879 1.918 40.653 1.00 0.00 ATOM 1646 NH1 ARG A 212 -8.776 2.620 40.771 1.00 0.00 ATOM 1647 NH2 ARG A 212 -11.013 2.538 40.916 1.00 0.00 ATOM 1648 O ARG A 212 -10.773 -1.884 35.360 1.00 0.00 ATOM 1649 C ARG A 212 -9.804 -2.324 35.967 1.00 0.00 ATOM 1650 N SER A 213 -8.592 -2.424 35.423 1.00 0.00 ATOM 1651 CA SER A 213 -8.323 -2.069 34.016 1.00 0.00 ATOM 1652 CB SER A 213 -7.320 -0.916 33.958 1.00 0.00 ATOM 1653 OG SER A 213 -6.108 -1.319 34.594 1.00 0.00 ATOM 1654 O SER A 213 -7.165 -3.036 32.119 1.00 0.00 ATOM 1655 C SER A 213 -7.819 -3.234 33.146 1.00 0.00 ATOM 1656 N VAL A 214 -8.190 -4.459 33.528 1.00 0.00 ATOM 1657 CA VAL A 214 -7.782 -5.681 32.781 1.00 0.00 ATOM 1658 CB VAL A 214 -8.279 -6.994 33.413 1.00 0.00 ATOM 1659 CG1 VAL A 214 -7.988 -8.247 32.567 1.00 0.00 ATOM 1660 CG2 VAL A 214 -7.676 -7.179 34.805 1.00 0.00 ATOM 1661 O VAL A 214 -7.422 -5.923 30.395 1.00 0.00 ATOM 1662 C VAL A 214 -8.231 -5.689 31.308 1.00 0.00 ATOM 1663 N PRO A 215 -9.509 -5.435 31.045 1.00 0.00 ATOM 1664 CA PRO A 215 -9.961 -5.457 29.626 1.00 0.00 ATOM 1665 CB PRO A 215 -11.490 -5.297 29.652 1.00 0.00 ATOM 1666 CG PRO A 215 -11.919 -5.510 31.106 1.00 0.00 ATOM 1667 CD PRO A 215 -10.668 -5.327 32.006 1.00 0.00 ATOM 1668 O PRO A 215 -8.886 -4.778 27.615 1.00 0.00 ATOM 1669 C PRO A 215 -9.299 -4.422 28.725 1.00 0.00 ATOM 1670 N PHE A 216 -9.180 -3.178 29.189 1.00 0.00 ATOM 1671 CA PHE A 216 -8.504 -2.127 28.417 1.00 0.00 ATOM 1672 CB PHE A 216 -8.503 -0.785 29.123 1.00 0.00 ATOM 1673 CG PHE A 216 -9.831 -0.069 29.032 1.00 0.00 ATOM 1674 CD1 PHE A 216 -10.666 -0.083 30.117 1.00 0.00 ATOM 1675 CD2 PHE A 216 -10.188 0.624 27.888 1.00 0.00 ATOM 1676 CE1 PHE A 216 -11.881 0.599 30.076 1.00 0.00 ATOM 1677 CE2 PHE A 216 -11.396 1.291 27.832 1.00 0.00 ATOM 1678 CZ PHE A 216 -12.224 1.287 28.928 1.00 0.00 ATOM 1679 O PHE A 216 -6.621 -2.392 27.009 1.00 0.00 ATOM 1680 C PHE A 216 -7.047 -2.458 28.146 1.00 0.00 ATOM 1681 N LEU A 217 -6.366 -3.017 29.136 1.00 0.00 ATOM 1682 CA LEU A 217 -4.965 -3.437 28.972 1.00 0.00 ATOM 1683 CB LEU A 217 -4.394 -3.876 30.314 1.00 0.00 ATOM 1684 CG LEU A 217 -4.191 -2.746 31.312 1.00 0.00 ATOM 1685 CD1 LEU A 217 -3.744 -3.439 32.573 1.00 0.00 ATOM 1686 CD2 LEU A 217 -3.040 -1.825 30.936 1.00 0.00 ATOM 1687 O LEU A 217 -4.008 -4.609 27.110 1.00 0.00 ATOM 1688 C LEU A 217 -4.864 -4.620 28.014 1.00 0.00 ATOM 1689 N GLN A 218 -5.718 -5.628 28.145 1.00 0.00 ATOM 1690 CA GLN A 218 -5.642 -6.784 27.268 1.00 0.00 ATOM 1691 CB GLN A 218 -6.647 -7.813 27.772 1.00 0.00 ATOM 1692 CG GLN A 218 -6.567 -9.111 26.963 1.00 0.00 ATOM 1693 CD GLN A 218 -7.476 -10.178 27.540 1.00 0.00 ATOM 1694 OE1 GLN A 218 -8.550 -9.954 28.087 1.00 0.00 ATOM 1695 NE2 GLN A 218 -7.050 -11.402 27.383 1.00 0.00 ATOM 1696 O GLN A 218 -5.357 -7.021 24.895 1.00 0.00 ATOM 1697 C GLN A 218 -5.917 -6.415 25.808 1.00 0.00 ATOM 1698 N LYS A 219 -6.769 -5.415 25.611 1.00 0.00 ATOM 1699 CA LYS A 219 -7.145 -4.939 24.264 1.00 0.00 ATOM 1700 CB LYS A 219 -8.607 -4.495 24.227 1.00 0.00 ATOM 1701 CG LYS A 219 -9.582 -5.652 24.457 1.00 0.00 ATOM 1702 CD LYS A 219 -11.002 -5.121 24.273 1.00 0.00 ATOM 1703 CE LYS A 219 -12.014 -6.208 24.615 1.00 0.00 ATOM 1704 NZ LYS A 219 -13.394 -5.750 24.582 1.00 0.00 ATOM 1705 O LYS A 219 -5.905 -3.706 22.623 1.00 0.00 ATOM 1706 C LYS A 219 -6.270 -3.781 23.798 1.00 0.00 ATOM 1707 N HIS A 220 -5.880 -2.842 24.753 1.00 0.00 ATOM 1708 CA HIS A 220 -5.090 -1.666 24.409 1.00 0.00 ATOM 1709 CB HIS A 220 -5.745 -0.424 25.075 1.00 0.00 ATOM 1710 CG HIS A 220 -7.113 -0.105 24.573 1.00 0.00 ATOM 1711 CD2 HIS A 220 -8.310 -0.683 24.826 1.00 0.00 ATOM 1712 ND1 HIS A 220 -7.347 0.863 23.618 1.00 0.00 ATOM 1713 CE1 HIS A 220 -8.629 0.864 23.302 1.00 0.00 ATOM 1714 NE2 HIS A 220 -9.236 -0.065 24.019 1.00 0.00 ATOM 1715 O HIS A 220 -2.904 -0.729 24.456 1.00 0.00 ATOM 1716 C HIS A 220 -3.610 -1.644 24.867 1.00 0.00 ATOM 1717 N GLY A 221 -3.193 -2.565 25.745 1.00 0.00 ATOM 1718 CA GLY A 221 -1.776 -2.764 26.201 1.00 0.00 ATOM 1719 O GLY A 221 -0.927 -1.019 27.572 1.00 0.00 ATOM 1720 C GLY A 221 -0.755 -2.161 27.130 1.00 0.00 ATOM 1721 N ALA A 222 0.363 -2.913 27.525 1.00 0.00 ATOM 1722 CA ALA A 222 1.289 -2.517 28.551 1.00 0.00 ATOM 1723 CB ALA A 222 0.645 -2.543 29.916 1.00 0.00 ATOM 1724 O ALA A 222 2.089 -4.805 28.189 1.00 0.00 ATOM 1725 C ALA A 222 2.321 -3.622 28.499 1.00 0.00 ATOM 1726 N THR A 223 3.777 -3.307 28.960 1.00 0.00 ATOM 1727 CA THR A 223 4.773 -4.363 29.020 1.00 0.00 ATOM 1728 CB THR A 223 6.227 -3.850 29.040 1.00 0.00 ATOM 1729 CG2 THR A 223 7.225 -5.022 29.014 1.00 0.00 ATOM 1730 OG1 THR A 223 6.495 -3.018 27.906 1.00 0.00 ATOM 1731 O THR A 223 4.691 -6.467 30.206 1.00 0.00 ATOM 1732 C THR A 223 4.574 -5.245 30.261 1.00 0.00 ATOM 1733 N VAL A 224 4.355 -4.598 31.392 1.00 0.00 ATOM 1734 CA VAL A 224 4.148 -5.286 32.690 1.00 0.00 ATOM 1735 CB VAL A 224 5.407 -5.206 33.579 1.00 0.00 ATOM 1736 CG1 VAL A 224 5.215 -5.846 34.961 1.00 0.00 ATOM 1737 CG2 VAL A 224 6.600 -5.911 32.929 1.00 0.00 ATOM 1738 O VAL A 224 2.760 -3.450 33.436 1.00 0.00 ATOM 1739 C VAL A 224 2.999 -4.674 33.476 1.00 0.00 ATOM 1740 N ILE A 225 2.231 -5.510 34.194 1.00 0.00 ATOM 1741 CA ILE A 225 1.158 -5.024 35.059 1.00 0.00 ATOM 1742 CB ILE A 225 -0.187 -5.626 34.650 1.00 0.00 ATOM 1743 CG1 ILE A 225 -0.499 -5.289 33.189 1.00 0.00 ATOM 1744 CG2 ILE A 225 -1.324 -5.139 35.567 1.00 0.00 ATOM 1745 CD1 ILE A 225 -1.600 -6.203 32.649 1.00 0.00 ATOM 1746 O ILE A 225 1.825 -6.583 36.772 1.00 0.00 ATOM 1747 C ILE A 225 1.513 -5.426 36.493 1.00 0.00 ATOM 1748 N VAL A 226 1.369 -4.461 37.386 1.00 0.00 ATOM 1749 CA VAL A 226 1.621 -4.644 38.828 1.00 0.00 ATOM 1750 CB VAL A 226 2.917 -3.922 39.260 1.00 0.00 ATOM 1751 CG1 VAL A 226 4.136 -4.476 38.529 1.00 0.00 ATOM 1752 CG2 VAL A 226 2.818 -2.406 39.064 1.00 0.00 ATOM 1753 O VAL A 226 -0.188 -3.123 39.271 1.00 0.00 ATOM 1754 C VAL A 226 0.426 -4.128 39.627 1.00 0.00 ATOM 1755 N ASP A 227 0.214 -4.744 40.767 1.00 0.00 ATOM 1756 CA ASP A 227 -0.802 -4.286 41.734 1.00 0.00 ATOM 1757 CB ASP A 227 -1.675 -5.465 42.196 1.00 0.00 ATOM 1758 CG ASP A 227 -0.916 -6.482 43.052 1.00 0.00 ATOM 1759 OD1 ASP A 227 0.275 -6.217 43.285 1.00 0.00 ATOM 1760 OD2 ASP A 227 -1.413 -7.592 43.301 1.00 0.00 ATOM 1761 O ASP A 227 -0.923 -2.970 43.706 1.00 0.00 ATOM 1762 C ASP A 227 -0.174 -3.557 42.943 1.00 0.00 ATOM 1763 N THR A 228 1.151 -3.603 43.082 1.00 0.00 ATOM 1764 CA THR A 228 1.917 -3.042 44.202 1.00 0.00 ATOM 1765 CB THR A 228 2.256 -4.093 45.278 1.00 0.00 ATOM 1766 CG2 THR A 228 3.054 -3.444 46.395 1.00 0.00 ATOM 1767 OG1 THR A 228 1.067 -4.585 45.884 1.00 0.00 ATOM 1768 O THR A 228 3.886 -3.185 42.840 1.00 0.00 ATOM 1769 C THR A 228 3.207 -2.504 43.607 1.00 0.00 ATOM 1770 N ALA A 229 3.573 -1.321 44.076 1.00 0.00 ATOM 1771 CA ALA A 229 4.796 -0.661 43.594 1.00 0.00 ATOM 1772 CB ALA A 229 4.938 0.760 44.105 1.00 0.00 ATOM 1773 O ALA A 229 7.072 -1.326 43.198 1.00 0.00 ATOM 1774 C ALA A 229 6.073 -1.464 43.901 1.00 0.00 ATOM 1775 N GLU A 230 6.024 -2.314 44.941 1.00 0.00 ATOM 1776 CA GLU A 230 7.206 -3.075 45.354 1.00 0.00 ATOM 1777 CB GLU A 230 7.115 -3.712 46.736 1.00 0.00 ATOM 1778 CG GLU A 230 5.982 -4.724 46.739 1.00 0.00 ATOM 1779 CD GLU A 230 5.845 -5.524 48.023 1.00 0.00 ATOM 1780 OE1 GLU A 230 6.435 -5.097 49.050 1.00 0.00 ATOM 1781 OE2 GLU A 230 4.976 -6.421 47.979 1.00 0.00 ATOM 1782 O GLU A 230 8.843 -4.166 43.960 1.00 0.00 ATOM 1783 C GLU A 230 7.657 -4.048 44.252 1.00 0.00 ATOM 1784 N LYS A 231 6.683 -4.416 43.431 1.00 0.00 ATOM 1785 CA LYS A 231 6.945 -5.232 42.226 1.00 0.00 ATOM 1786 CB LYS A 231 5.638 -5.626 41.538 1.00 0.00 ATOM 1787 CG LYS A 231 4.739 -6.501 42.408 1.00 0.00 ATOM 1788 CD LYS A 231 3.456 -6.885 41.663 1.00 0.00 ATOM 1789 CE LYS A 231 2.635 -7.876 42.473 1.00 0.00 ATOM 1790 NZ LYS A 231 1.409 -8.255 41.760 1.00 0.00 ATOM 1791 O LYS A 231 8.625 -5.048 40.503 1.00 0.00 ATOM 1792 C LYS A 231 7.802 -4.472 41.204 1.00 0.00 ATOM 1793 N LEU A 232 7.621 -3.148 41.155 1.00 0.00 ATOM 1794 CA LEU A 232 8.361 -2.246 40.256 1.00 0.00 ATOM 1795 CB LEU A 232 7.961 -0.766 40.435 1.00 0.00 ATOM 1796 CG LEU A 232 6.444 -0.576 40.410 1.00 0.00 ATOM 1797 CD1 LEU A 232 5.961 0.836 40.695 1.00 0.00 ATOM 1798 CD2 LEU A 232 5.944 -0.922 39.046 1.00 0.00 ATOM 1799 O LEU A 232 10.613 -2.405 39.457 1.00 0.00 ATOM 1800 C LEU A 232 9.880 -2.330 40.435 1.00 0.00 ATOM 1801 N GLU A 233 10.327 -2.417 41.692 1.00 0.00 ATOM 1802 CA GLU A 233 11.779 -2.575 41.974 1.00 0.00 ATOM 1803 CB GLU A 233 12.096 -2.467 43.451 1.00 0.00 ATOM 1804 CG GLU A 233 13.559 -2.392 43.848 1.00 0.00 ATOM 1805 CD GLU A 233 13.734 -2.203 45.356 1.00 0.00 ATOM 1806 OE1 GLU A 233 12.754 -1.995 46.098 1.00 0.00 ATOM 1807 OE2 GLU A 233 14.910 -2.381 45.736 1.00 0.00 ATOM 1808 O GLU A 233 13.357 -4.111 41.022 1.00 0.00 ATOM 1809 C GLU A 233 12.251 -3.963 41.533 1.00 0.00 ATOM 1810 N GLU A 234 11.425 -4.993 41.748 1.00 0.00 ATOM 1811 CA GLU A 234 11.791 -6.341 41.314 1.00 0.00 ATOM 1812 CB GLU A 234 10.710 -7.330 41.695 1.00 0.00 ATOM 1813 CG GLU A 234 10.605 -7.515 43.204 1.00 0.00 ATOM 1814 CD GLU A 234 9.439 -8.428 43.583 1.00 0.00 ATOM 1815 OE1 GLU A 234 8.612 -8.771 42.706 1.00 0.00 ATOM 1816 OE2 GLU A 234 9.356 -8.699 44.789 1.00 0.00 ATOM 1817 O GLU A 234 12.916 -6.940 39.292 1.00 0.00 ATOM 1818 C GLU A 234 11.970 -6.334 39.799 1.00 0.00 ATOM 1819 N ALA A 235 11.074 -5.655 39.074 1.00 0.00 ATOM 1820 CA ALA A 235 11.186 -5.619 37.605 1.00 0.00 ATOM 1821 CB ALA A 235 9.999 -5.015 36.954 1.00 0.00 ATOM 1822 O ALA A 235 13.205 -5.327 36.301 1.00 0.00 ATOM 1823 C ALA A 235 12.448 -4.894 37.179 1.00 0.00 ATOM 1824 N ILE A 236 12.775 -3.748 37.866 1.00 0.00 ATOM 1825 CA ILE A 236 13.976 -3.000 37.519 1.00 0.00 ATOM 1826 CB ILE A 236 13.975 -1.688 38.316 1.00 0.00 ATOM 1827 CG1 ILE A 236 12.852 -0.816 37.762 1.00 0.00 ATOM 1828 CG2 ILE A 236 15.337 -0.974 38.236 1.00 0.00 ATOM 1829 CD1 ILE A 236 12.545 0.419 38.606 1.00 0.00 ATOM 1830 O ILE A 236 16.120 -3.805 36.937 1.00 0.00 ATOM 1831 C ILE A 236 15.235 -3.836 37.756 1.00 0.00 ATOM 1832 N LEU A 237 15.334 -4.486 38.914 1.00 0.00 ATOM 1833 CA LEU A 237 16.515 -5.335 39.208 1.00 0.00 ATOM 1834 CB LEU A 237 16.403 -5.936 40.607 1.00 0.00 ATOM 1835 CG LEU A 237 16.490 -4.911 41.731 1.00 0.00 ATOM 1836 CD1 LEU A 237 16.171 -5.606 43.045 1.00 0.00 ATOM 1837 CD2 LEU A 237 17.886 -4.294 41.828 1.00 0.00 ATOM 1838 O LEU A 237 17.691 -6.773 37.684 1.00 0.00 ATOM 1839 C LEU A 237 16.608 -6.459 38.183 1.00 0.00 ATOM 1840 N GLY A 238 15.440 -7.080 37.866 1.00 0.00 ATOM 1841 CA GLY A 238 15.400 -8.166 36.901 1.00 0.00 ATOM 1842 O GLY A 238 16.218 -8.583 34.707 1.00 0.00 ATOM 1843 C GLY A 238 15.843 -7.735 35.520 1.00 0.00 ATOM 1844 N GLU A 239 15.797 -6.434 35.231 1.00 0.00 ATOM 1845 CA GLU A 239 16.156 -5.920 33.908 1.00 0.00 ATOM 1846 CB GLU A 239 14.825 -5.447 33.352 1.00 0.00 ATOM 1847 CG GLU A 239 13.695 -6.436 33.093 1.00 0.00 ATOM 1848 CD GLU A 239 13.938 -7.572 32.098 1.00 0.00 ATOM 1849 OE1 GLU A 239 14.750 -7.404 31.163 1.00 0.00 ATOM 1850 OE2 GLU A 239 13.255 -8.584 32.293 1.00 0.00 ATOM 1851 O GLU A 239 17.667 -4.498 35.157 1.00 0.00 ATOM 1852 C GLU A 239 17.174 -4.763 34.049 1.00 0.00 ENDMDL EXPDTA 2hi0A MODEL 2 REMARK 44 REMARK 44 model 2 is called 2hi0A ATOM 1 N MET A 1 22.227 -3.253 33.816 1.00 0.00 ATOM 2 CA MET A 1 20.974 -2.807 34.431 1.00 0.00 ATOM 3 CB MET A 1 21.106 -1.366 34.921 1.00 0.00 ATOM 4 CG MET A 1 22.179 -1.250 35.977 1.00 0.00 ATOM 5 SD MET A 1 22.315 0.571 36.589 1.00 0.00 ATOM 6 CE MET A 1 20.534 0.731 37.197 1.00 0.00 ATOM 7 O MET A 1 20.051 -2.408 32.291 1.00 0.00 ATOM 8 C MET A 1 19.880 -2.883 33.417 1.00 0.00 ATOM 9 N LYS A 2 18.742 -3.445 33.795 1.00 0.00 ATOM 10 CA LYS A 2 17.627 -3.467 32.887 1.00 0.00 ATOM 11 CB LYS A 2 16.437 -4.261 33.445 1.00 0.00 ATOM 12 CG LYS A 2 15.411 -4.558 32.377 1.00 0.00 ATOM 13 CD LYS A 2 14.277 -5.429 32.844 1.00 0.00 ATOM 14 CE LYS A 2 13.419 -5.739 31.599 1.00 0.00 ATOM 15 NZ LYS A 2 12.359 -6.754 31.849 1.00 0.00 ATOM 16 O LYS A 2 17.086 -1.700 31.354 1.00 0.00 ATOM 17 C LYS A 2 17.238 -2.022 32.526 1.00 0.00 ATOM 18 N TYR A 3 17.064 -1.171 33.552 1.00 0.00 ATOM 19 CA TYR A 3 16.695 0.208 33.374 1.00 0.00 ATOM 20 CB TYR A 3 15.215 0.454 33.694 1.00 0.00 ATOM 21 CG TYR A 3 14.260 -0.377 32.881 1.00 0.00 ATOM 22 CD1 TYR A 3 14.202 -0.254 31.484 1.00 0.00 ATOM 23 CD2 TYR A 3 13.452 -1.339 33.484 1.00 0.00 ATOM 24 CE1 TYR A 3 13.298 -1.018 30.743 1.00 0.00 ATOM 25 CE2 TYR A 3 12.598 -2.126 32.735 1.00 0.00 ATOM 26 CZ TYR A 3 12.535 -1.969 31.368 1.00 0.00 ATOM 27 OH TYR A 3 11.668 -2.749 30.605 1.00 0.00 ATOM 28 O TYR A 3 17.729 0.789 35.472 1.00 0.00 ATOM 29 C TYR A 3 17.587 1.051 34.268 1.00 0.00 ATOM 30 N LYS A 4 18.194 2.079 33.673 1.00 0.00 ATOM 31 CA LYS A 4 18.975 3.065 34.410 1.00 0.00 ATOM 32 CB LYS A 4 20.100 3.588 33.511 1.00 0.00 ATOM 33 CG LYS A 4 21.093 2.511 33.130 1.00 0.00 ATOM 34 CD LYS A 4 22.164 3.088 32.218 1.00 0.00 ATOM 35 CE LYS A 4 23.057 2.035 31.580 1.00 0.00 ATOM 36 NZ LYS A 4 23.764 2.695 30.419 1.00 0.00 ATOM 37 O LYS A 4 18.531 5.017 35.751 1.00 0.00 ATOM 38 C LYS A 4 18.098 4.241 34.912 1.00 0.00 ATOM 39 N ALA A 5 16.880 4.374 34.389 1.00 0.00 ATOM 40 CA ALA A 5 15.950 5.424 34.834 1.00 0.00 ATOM 41 CB ALA A 5 15.986 6.651 33.911 1.00 0.00 ATOM 42 O ALA A 5 14.122 4.132 34.058 1.00 0.00 ATOM 43 C ALA A 5 14.543 4.868 34.928 1.00 0.00 ATOM 44 N ALA A 6 13.822 5.239 35.994 1.00 0.00 ATOM 45 CA ALA A 6 12.401 4.848 36.186 1.00 0.00 ATOM 46 CB ALA A 6 12.199 3.946 37.453 1.00 0.00 ATOM 47 O ALA A 6 11.957 6.957 37.203 1.00 0.00 ATOM 48 C ALA A 6 11.647 6.150 36.335 1.00 0.00 ATOM 49 N ILE A 7 10.701 6.346 35.424 1.00 0.00 ATOM 50 CA ILE A 7 9.917 7.571 35.291 1.00 0.00 ATOM 51 CB ILE A 7 9.976 8.109 33.862 1.00 0.00 ATOM 52 CG1 ILE A 7 11.410 8.302 33.407 1.00 0.00 ATOM 53 CG2 ILE A 7 9.227 9.446 33.777 1.00 0.00 ATOM 54 CD1 ILE A 7 11.471 8.639 31.867 1.00 0.00 ATOM 55 O ILE A 7 7.868 6.343 35.017 1.00 0.00 ATOM 56 C ILE A 7 8.487 7.201 35.673 1.00 0.00 ATOM 57 N PHE A 8 7.981 7.829 36.741 1.00 0.00 ATOM 58 CA PHE A 8 6.693 7.493 37.333 1.00 0.00 ATOM 59 CB PHE A 8 6.782 7.400 38.853 1.00 0.00 ATOM 60 CG PHE A 8 7.702 6.322 39.352 1.00 0.00 ATOM 61 CD1 PHE A 8 9.066 6.516 39.389 1.00 0.00 ATOM 62 CD2 PHE A 8 7.199 5.096 39.713 1.00 0.00 ATOM 63 CE1 PHE A 8 9.899 5.523 39.846 1.00 0.00 ATOM 64 CE2 PHE A 8 8.057 4.107 40.192 1.00 0.00 ATOM 65 CZ PHE A 8 9.387 4.330 40.232 1.00 0.00 ATOM 66 O PHE A 8 5.923 9.797 37.160 1.00 0.00 ATOM 67 C PHE A 8 5.652 8.587 37.058 1.00 0.00 ATOM 68 N ASP A 9 4.451 8.142 36.758 1.00 0.00 ATOM 69 CA ASP A 9 3.255 9.008 36.936 1.00 0.00 ATOM 70 CB ASP A 9 2.036 8.353 36.310 1.00 0.00 ATOM 71 CG ASP A 9 0.841 9.289 36.234 1.00 0.00 ATOM 72 OD1 ASP A 9 0.990 10.525 36.102 1.00 0.00 ATOM 73 OD2 ASP A 9 -0.271 8.757 36.345 1.00 0.00 ATOM 74 O ASP A 9 3.603 8.499 39.294 1.00 0.00 ATOM 75 C ASP A 9 3.021 9.206 38.458 1.00 0.00 ATOM 76 N MET A 10 2.246 10.215 38.837 1.00 0.00 ATOM 77 CA MET A 10 1.992 10.531 40.239 1.00 0.00 ATOM 78 CB MET A 10 2.023 12.045 40.471 1.00 0.00 ATOM 79 CG MET A 10 1.622 12.439 41.847 1.00 0.00 ATOM 80 SD MET A 10 2.158 14.231 42.253 1.00 0.00 ATOM 81 CE MET A 10 4.007 14.047 42.799 1.00 0.00 ATOM 82 O MET A 10 0.674 9.017 41.575 1.00 0.00 ATOM 83 C MET A 10 0.659 9.922 40.711 1.00 0.00 ATOM 84 N ASP A 11 -0.459 10.416 40.151 1.00 0.00 ATOM 85 CA ASP A 11 -1.808 10.006 40.579 1.00 0.00 ATOM 86 CB ASP A 11 -2.899 10.740 39.792 1.00 0.00 ATOM 87 CG ASP A 11 -2.998 12.182 40.116 1.00 0.00 ATOM 88 OD1 ASP A 11 -3.308 12.549 41.246 1.00 0.00 ATOM 89 OD2 ASP A 11 -2.807 12.993 39.178 1.00 0.00 ATOM 90 O ASP A 11 -1.786 8.016 39.297 1.00 0.00 ATOM 91 C ASP A 11 -2.031 8.523 40.387 1.00 0.00 ATOM 92 N GLY A 12 -2.418 7.807 41.439 1.00 0.00 ATOM 93 CA GLY A 12 -2.746 6.381 41.278 1.00 0.00 ATOM 94 O GLY A 12 -1.689 4.262 40.980 1.00 0.00 ATOM 95 C GLY A 12 -1.548 5.466 41.153 1.00 0.00 ATOM 96 N THR A 13 -0.349 6.030 41.230 1.00 0.00 ATOM 97 CA THR A 13 0.866 5.308 40.956 1.00 0.00 ATOM 98 CB THR A 13 1.559 5.794 39.653 1.00 0.00 ATOM 99 CG2 THR A 13 2.741 4.975 39.357 1.00 0.00 ATOM 100 OG1 THR A 13 0.612 5.696 38.560 1.00 0.00 ATOM 101 O THR A 13 2.005 4.455 42.874 1.00 0.00 ATOM 102 C THR A 13 1.761 5.431 42.172 1.00 0.00 ATOM 103 N ILE A 14 2.265 6.634 42.455 1.00 0.00 ATOM 104 CA ILE A 14 3.069 6.807 43.662 1.00 0.00 ATOM 105 CB ILE A 14 4.409 7.493 43.384 1.00 0.00 ATOM 106 CG1 ILE A 14 4.223 8.955 42.909 1.00 0.00 ATOM 107 CG2 ILE A 14 5.258 6.624 42.402 1.00 0.00 ATOM 108 CD1 ILE A 14 5.576 9.742 42.714 1.00 0.00 ATOM 109 O ILE A 14 2.661 7.235 45.975 1.00 0.00 ATOM 110 C ILE A 14 2.335 7.473 44.840 1.00 0.00 ATOM 111 N LEU A 15 1.304 8.260 44.513 1.00 0.00 ATOM 112 CA LEU A 15 0.500 9.000 45.489 1.00 0.00 ATOM 113 CB LEU A 15 0.652 10.520 45.332 1.00 0.00 ATOM 114 CG LEU A 15 1.996 11.070 45.835 1.00 0.00 ATOM 115 CD1 LEU A 15 2.000 12.570 45.682 1.00 0.00 ATOM 116 CD2 LEU A 15 2.264 10.731 47.303 1.00 0.00 ATOM 117 O LEU A 15 -1.545 8.593 44.277 1.00 0.00 ATOM 118 C LEU A 15 -0.981 8.632 45.375 1.00 0.00 ATOM 119 N ASP A 16 -1.590 8.411 46.546 1.00 0.00 ATOM 120 CA ASP A 16 -2.992 8.071 46.712 1.00 0.00 ATOM 121 CB ASP A 16 -3.113 7.253 47.988 1.00 0.00 ATOM 122 CG ASP A 16 -4.468 6.682 48.212 1.00 0.00 ATOM 123 OD1 ASP A 16 -5.438 7.078 47.527 1.00 0.00 ATOM 124 OD2 ASP A 16 -4.503 5.827 49.124 1.00 0.00 ATOM 125 O ASP A 16 -3.909 10.009 47.876 1.00 0.00 ATOM 126 C ASP A 16 -3.746 9.422 46.794 1.00 0.00 ATOM 127 N THR A 17 -4.194 9.917 45.628 1.00 0.00 ATOM 128 CA THR A 17 -4.719 11.295 45.481 1.00 0.00 ATOM 129 CB THR A 17 -4.061 11.962 44.232 1.00 0.00 ATOM 130 CG2 THR A 17 -2.545 12.205 44.408 1.00 0.00 ATOM 131 OG1 THR A 17 -4.244 11.125 43.122 1.00 0.00 ATOM 132 O THR A 17 -6.752 12.536 45.252 1.00 0.00 ATOM 133 C THR A 17 -6.225 11.413 45.300 1.00 0.00 ATOM 134 N SER A 18 -6.923 10.269 45.105 1.00 0.00 ATOM 135 CA SER A 18 -8.317 10.368 44.653 1.00 0.00 ATOM 136 CB SER A 18 -8.843 8.986 44.311 1.00 0.00 ATOM 137 OG SER A 18 -8.643 8.057 45.347 1.00 0.00 ATOM 138 O SER A 18 -10.109 11.781 45.249 1.00 0.00 ATOM 139 C SER A 18 -9.236 11.055 45.645 1.00 0.00 ATOM 140 N ALA A 19 -8.998 10.878 46.941 1.00 0.00 ATOM 141 CA ALA A 19 -9.865 11.564 47.917 1.00 0.00 ATOM 142 CB ALA A 19 -9.581 11.111 49.358 1.00 0.00 ATOM 143 O ALA A 19 -10.791 13.768 47.805 1.00 0.00 ATOM 144 C ALA A 19 -9.764 13.076 47.834 1.00 0.00 ATOM 145 N ASP A 20 -8.539 13.616 47.793 1.00 0.00 ATOM 146 CA ASP A 20 -8.331 15.071 47.771 1.00 0.00 ATOM 147 CB ASP A 20 -6.854 15.436 48.017 1.00 0.00 ATOM 148 CG ASP A 20 -6.433 15.315 49.494 1.00 0.00 ATOM 149 OD1 ASP A 20 -7.286 15.248 50.410 1.00 0.00 ATOM 150 OD2 ASP A 20 -5.208 15.299 49.779 1.00 0.00 ATOM 151 O ASP A 20 -9.367 16.737 46.358 1.00 0.00 ATOM 152 C ASP A 20 -8.814 15.630 46.435 1.00 0.00 ATOM 153 N LEU A 21 -8.627 14.861 45.360 1.00 0.00 ATOM 154 CA LEU A 21 -9.148 15.308 44.052 1.00 0.00 ATOM 155 CB LEU A 21 -8.705 14.349 42.918 1.00 0.00 ATOM 156 CG LEU A 21 -7.259 14.437 42.467 1.00 0.00 ATOM 157 CD1 LEU A 21 -6.975 13.213 41.579 1.00 0.00 ATOM 158 CD2 LEU A 21 -6.882 15.706 41.729 1.00 0.00 ATOM 159 O LEU A 21 -11.278 16.393 43.492 1.00 0.00 ATOM 160 C LEU A 21 -10.694 15.449 44.050 1.00 0.00 ATOM 161 N THR A 22 -11.326 14.470 44.702 1.00 0.00 ATOM 162 CA THR A 22 -12.784 14.382 44.820 1.00 0.00 ATOM 163 CB THR A 22 -13.174 13.026 45.468 1.00 0.00 ATOM 164 CG2 THR A 22 -14.676 12.913 45.670 1.00 0.00 ATOM 165 OG1 THR A 22 -12.769 11.960 44.596 1.00 0.00 ATOM 166 O THR A 22 -14.206 16.255 45.185 1.00 0.00 ATOM 167 C THR A 22 -13.302 15.575 45.607 1.00 0.00 ATOM 168 N SER A 23 -12.706 15.822 46.769 1.00 0.00 ATOM 169 CA SER A 23 -13.097 16.946 47.601 1.00 0.00 ATOM 170 CB SER A 23 -12.244 16.951 48.875 1.00 0.00 ATOM 171 OG SER A 23 -12.665 17.993 49.726 1.00 0.00 ATOM 172 O SER A 23 -13.835 19.145 46.907 1.00 0.00 ATOM 173 C SER A 23 -12.953 18.278 46.850 1.00 0.00 ATOM 174 N ALA A 24 -11.829 18.469 46.158 1.00 0.00 ATOM 175 CA ALA A 24 -11.561 19.705 45.440 1.00 0.00 ATOM 176 CB ALA A 24 -10.106 19.769 45.005 1.00 0.00 ATOM 177 O ALA A 24 -12.998 20.958 43.964 1.00 0.00 ATOM 178 C ALA A 24 -12.506 19.862 44.242 1.00 0.00 ATOM 179 N LEU A 25 -12.773 18.777 43.507 1.00 0.00 ATOM 180 CA LEU A 25 -13.704 18.825 42.370 1.00 0.00 ATOM 181 CB LEU A 25 -13.769 17.523 41.505 1.00 0.00 ATOM 182 CG LEU A 25 -14.376 17.644 40.077 1.00 0.00 ATOM 183 CD1 LEU A 25 -13.571 18.614 39.227 1.00 0.00 ATOM 184 CD2 LEU A 25 -14.407 16.232 39.465 1.00 0.00 ATOM 185 O LEU A 25 -15.770 20.030 42.260 1.00 0.00 ATOM 186 C LEU A 25 -15.102 19.192 42.855 1.00 0.00 ATOM 187 N ASN A 26 -15.569 18.538 43.904 1.00 0.00 ATOM 188 CA ASN A 26 -16.878 18.830 44.436 1.00 0.00 ATOM 189 CB ASN A 26 -17.290 17.842 45.529 1.00 0.00 ATOM 190 CG ASN A 26 -17.725 16.490 44.975 1.00 0.00 ATOM 191 ND2 ASN A 26 -17.460 15.429 45.738 1.00 0.00 ATOM 192 OD1 ASN A 26 -18.273 16.399 43.877 1.00 0.00 ATOM 193 O ASN A 26 -17.997 20.939 44.702 1.00 0.00 ATOM 194 C ASN A 26 -16.996 20.263 44.953 1.00 0.00 ATOM 195 N TYR A 27 -15.937 20.752 45.621 1.00 0.00 ATOM 196 CA TYR A 27 -15.870 22.167 46.030 1.00 0.00 ATOM 197 CB TYR A 27 -14.562 22.464 46.765 1.00 0.00 ATOM 198 CG TYR A 27 -14.444 23.930 47.210 1.00 0.00 ATOM 199 CD1 TYR A 27 -14.953 24.346 48.438 1.00 0.00 ATOM 200 CD2 TYR A 27 -13.802 24.837 46.429 1.00 0.00 ATOM 201 CE1 TYR A 27 -14.848 25.660 48.825 1.00 0.00 ATOM 202 CE2 TYR A 27 -13.707 26.157 46.792 1.00 0.00 ATOM 203 CZ TYR A 27 -14.227 26.563 48.010 1.00 0.00 ATOM 204 OH TYR A 27 -14.108 27.868 48.423 1.00 0.00 ATOM 205 O TYR A 27 -16.868 24.060 44.911 1.00 0.00 ATOM 206 C TYR A 27 -16.060 23.139 44.855 1.00 0.00 ATOM 207 N ALA A 28 -15.269 22.926 43.790 1.00 0.00 ATOM 208 CA ALA A 28 -15.259 23.770 42.588 1.00 0.00 ATOM 209 CB ALA A 28 -14.171 23.261 41.612 1.00 0.00 ATOM 210 O ALA A 28 -17.152 24.792 41.438 1.00 0.00 ATOM 211 C ALA A 28 -16.625 23.770 41.898 1.00 0.00 ATOM 212 N PHE A 29 -17.192 22.579 41.751 1.00 0.00 ATOM 213 CA PHE A 29 -18.519 22.384 41.172 1.00 0.00 ATOM 214 CB PHE A 29 -18.870 20.887 41.019 1.00 0.00 ATOM 215 CG PHE A 29 -18.530 20.329 39.620 1.00 0.00 ATOM 216 CD1 PHE A 29 -17.248 20.441 39.154 1.00 0.00 ATOM 217 CD2 PHE A 29 -19.499 19.785 38.774 1.00 0.00 ATOM 218 CE1 PHE A 29 -16.863 20.000 37.917 1.00 0.00 ATOM 219 CE2 PHE A 29 -19.127 19.349 37.497 1.00 0.00 ATOM 220 CZ PHE A 29 -17.802 19.466 37.081 1.00 0.00 ATOM 221 O PHE A 29 -20.391 23.849 41.477 1.00 0.00 ATOM 222 C PHE A 29 -19.574 23.112 41.992 1.00 0.00 ATOM 223 N GLU A 30 -19.536 22.914 43.295 1.00 0.00 ATOM 224 CA GLU A 30 -20.519 23.585 44.149 1.00 0.00 ATOM 225 CB GLU A 30 -20.290 23.171 45.609 1.00 0.00 ATOM 226 CG GLU A 30 -21.249 23.830 46.593 1.00 0.00 ATOM 227 CD GLU A 30 -21.131 23.312 48.015 1.00 0.00 ATOM 228 OE1 GLU A 30 -20.015 23.293 48.586 1.00 0.00 ATOM 229 OE2 GLU A 30 -22.216 22.987 48.560 1.00 0.00 ATOM 230 O GLU A 30 -21.432 25.827 43.927 1.00 0.00 ATOM 231 C GLU A 30 -20.408 25.123 44.027 1.00 0.00 ATOM 232 N GLN A 31 -19.165 25.631 44.069 1.00 0.00 ATOM 233 CA GLN A 31 -18.934 27.059 43.934 1.00 0.00 ATOM 234 CB GLN A 31 -17.455 27.434 44.110 1.00 0.00 ATOM 235 CG GLN A 31 -16.975 27.288 45.518 1.00 0.00 ATOM 236 CD GLN A 31 -17.609 28.275 46.451 1.00 0.00 ATOM 237 OE1 GLN A 31 -17.608 29.483 46.169 1.00 0.00 ATOM 238 NE2 GLN A 31 -18.159 27.793 47.577 1.00 0.00 ATOM 239 O GLN A 31 -19.669 28.876 42.548 1.00 0.00 ATOM 240 C GLN A 31 -19.434 27.682 42.623 1.00 0.00 ATOM 241 N THR A 32 -19.537 26.865 41.586 1.00 0.00 ATOM 242 CA THR A 32 -19.959 27.307 40.267 1.00 0.00 ATOM 243 CB THR A 32 -18.924 26.902 39.223 1.00 0.00 ATOM 244 CG2 THR A 32 -17.609 27.634 39.422 1.00 0.00 ATOM 245 OG1 THR A 32 -18.712 25.484 39.269 1.00 0.00 ATOM 246 O THR A 32 -21.822 26.982 38.746 1.00 0.00 ATOM 247 C THR A 32 -21.388 26.843 39.893 1.00 0.00 ATOM 248 N GLY A 33 -22.141 26.374 40.884 1.00 0.00 ATOM 249 CA GLY A 33 -23.556 26.095 40.690 1.00 0.00 ATOM 250 O GLY A 33 -25.068 24.510 39.725 1.00 0.00 ATOM 251 C GLY A 33 -23.911 24.726 40.144 1.00 0.00 ATOM 252 N HIS A 34 -22.975 23.782 40.188 1.00 0.00 ATOM 253 CA HIS A 34 -23.168 22.448 39.613 1.00 0.00 ATOM 254 CB HIS A 34 -21.943 22.008 38.842 1.00 0.00 ATOM 255 CG HIS A 34 -21.747 22.781 37.586 1.00 0.00 ATOM 256 CD2 HIS A 34 -21.042 23.906 37.324 1.00 0.00 ATOM 257 ND1 HIS A 34 -22.411 22.460 36.424 1.00 0.00 ATOM 258 CE1 HIS A 34 -22.086 23.324 35.480 1.00 0.00 ATOM 259 NE2 HIS A 34 -21.272 24.226 36.000 1.00 0.00 ATOM 260 O HIS A 34 -23.313 21.752 41.882 1.00 0.00 ATOM 261 C HIS A 34 -23.455 21.432 40.713 1.00 0.00 ATOM 262 N ARG A 35 -23.919 20.240 40.331 1.00 0.00 ATOM 263 CA ARG A 35 -24.004 19.055 41.193 1.00 0.00 ATOM 264 CB ARG A 35 -24.431 17.804 40.364 1.00 0.00 ATOM 265 CG ARG A 35 -23.439 16.622 40.294 1.00 0.00 ATOM 266 CD ARG A 35 -23.942 15.482 39.402 1.00 0.00 ATOM 267 NE ARG A 35 -23.586 14.164 39.943 1.00 0.00 ATOM 268 CZ ARG A 35 -23.781 12.995 39.328 1.00 0.00 ATOM 269 NH1 ARG A 35 -24.297 12.922 38.116 1.00 0.00 ATOM 270 NH2 ARG A 35 -23.427 11.870 39.936 1.00 0.00 ATOM 271 O ARG A 35 -21.626 19.050 41.115 1.00 0.00 ATOM 272 C ARG A 35 -22.632 18.840 41.800 1.00 0.00 ATOM 273 N HIS A 36 -22.563 18.380 43.040 1.00 0.00 ATOM 274 CA HIS A 36 -21.278 18.297 43.734 1.00 0.00 ATOM 275 CB HIS A 36 -21.025 19.638 44.481 1.00 0.00 ATOM 276 CG HIS A 36 -22.195 20.130 45.267 1.00 0.00 ATOM 277 CD2 HIS A 36 -22.582 19.886 46.542 1.00 0.00 ATOM 278 ND1 HIS A 36 -23.142 20.975 44.731 1.00 0.00 ATOM 279 CE1 HIS A 36 -24.064 21.224 45.653 1.00 0.00 ATOM 280 NE2 HIS A 36 -23.742 20.582 46.762 1.00 0.00 ATOM 281 O HIS A 36 -20.705 17.261 45.846 1.00 0.00 ATOM 282 C HIS A 36 -21.203 17.131 44.712 1.00 0.00 ATOM 283 N ASP A 37 -21.663 15.990 44.235 1.00 0.00 ATOM 284 CA ASP A 37 -21.653 14.751 45.007 1.00 0.00 ATOM 285 CB ASP A 37 -23.092 14.310 45.255 1.00 0.00 ATOM 286 CG ASP A 37 -23.858 14.075 43.931 1.00 0.00 ATOM 287 OD1 ASP A 37 -23.271 14.317 42.836 1.00 0.00 ATOM 288 OD2 ASP A 37 -25.033 13.645 43.990 1.00 0.00 ATOM 289 O ASP A 37 -21.274 12.490 44.329 1.00 0.00 ATOM 290 C ASP A 37 -20.898 13.648 44.263 1.00 0.00 ATOM 291 N PHE A 38 -19.835 13.998 43.541 1.00 0.00 ATOM 292 CA PHE A 38 -19.003 12.969 42.891 1.00 0.00 ATOM 293 CB PHE A 38 -17.934 13.556 41.984 1.00 0.00 ATOM 294 CG PHE A 38 -18.473 14.375 40.829 1.00 0.00 ATOM 295 CD1 PHE A 38 -19.237 13.782 39.833 1.00 0.00 ATOM 296 CD2 PHE A 38 -18.149 15.717 40.704 1.00 0.00 ATOM 297 CE1 PHE A 38 -19.683 14.506 38.727 1.00 0.00 ATOM 298 CE2 PHE A 38 -18.582 16.464 39.615 1.00 0.00 ATOM 299 CZ PHE A 38 -19.367 15.839 38.611 1.00 0.00 ATOM 300 O PHE A 38 -17.980 12.569 45.029 1.00 0.00 ATOM 301 C PHE A 38 -18.319 12.097 43.934 1.00 0.00 ATOM 302 N THR A 39 -18.145 10.828 43.568 1.00 0.00 ATOM 303 CA THR A 39 -17.498 9.836 44.406 1.00 0.00 ATOM 304 CB THR A 39 -18.168 8.436 44.224 1.00 0.00 ATOM 305 CG2 THR A 39 -19.706 8.466 44.561 1.00 0.00 ATOM 306 OG1 THR A 39 -18.012 8.041 42.861 1.00 0.00 ATOM 307 O THR A 39 -15.649 10.156 42.888 1.00 0.00 ATOM 308 C THR A 39 -16.039 9.712 43.975 1.00 0.00 ATOM 309 N VAL A 40 -15.226 9.082 44.822 1.00 0.00 ATOM 310 CA VAL A 40 -13.849 8.727 44.439 1.00 0.00 ATOM 311 CB VAL A 40 -13.085 8.003 45.564 1.00 0.00 ATOM 312 CG1 VAL A 40 -11.879 7.271 45.015 1.00 0.00 ATOM 313 CG2 VAL A 40 -12.742 8.968 46.691 1.00 0.00 ATOM 314 O VAL A 40 -12.910 8.044 42.341 1.00 0.00 ATOM 315 C VAL A 40 -13.809 7.874 43.170 1.00 0.00 ATOM 316 N GLU A 41 -14.785 6.987 42.993 1.00 0.00 ATOM 317 CA GLU A 41 -14.815 6.167 41.783 1.00 0.00 ATOM 318 CB GLU A 41 -15.851 5.025 41.862 1.00 0.00 ATOM 319 CG GLU A 41 -15.495 3.870 42.812 1.00 0.00 ATOM 320 CD GLU A 41 -14.097 3.248 42.601 1.00 0.00 ATOM 321 OE1 GLU A 41 -13.925 2.497 41.616 1.00 0.00 ATOM 322 OE2 GLU A 41 -13.173 3.492 43.433 1.00 0.00 ATOM 323 O GLU A 41 -14.564 6.736 39.456 1.00 0.00 ATOM 324 C GLU A 41 -15.084 7.027 40.538 1.00 0.00 ATOM 325 N ASP A 42 -15.891 8.082 40.686 1.00 0.00 ATOM 326 CA ASP A 42 -16.149 9.003 39.579 1.00 0.00 ATOM 327 CB ASP A 42 -17.170 10.081 39.960 1.00 0.00 ATOM 328 CG ASP A 42 -18.591 9.554 40.119 1.00 0.00 ATOM 329 OD1 ASP A 42 -18.983 8.581 39.425 1.00 0.00 ATOM 330 OD2 ASP A 42 -19.320 10.176 40.928 1.00 0.00 ATOM 331 O ASP A 42 -14.438 9.774 38.027 1.00 0.00 ATOM 332 C ASP A 42 -14.815 9.665 39.208 1.00 0.00 ATOM 333 N ILE A 43 -14.114 10.139 40.229 1.00 0.00 ATOM 334 CA ILE A 43 -12.861 10.860 39.982 1.00 0.00 ATOM 335 CB ILE A 43 -12.272 11.462 41.326 1.00 0.00 ATOM 336 CG1 ILE A 43 -12.710 12.920 41.473 1.00 0.00 ATOM 337 CG2 ILE A 43 -10.775 11.316 41.421 1.00 0.00 ATOM 338 CD1 ILE A 43 -14.216 13.106 41.648 1.00 0.00 ATOM 339 O ILE A 43 -11.059 10.496 38.433 1.00 0.00 ATOM 340 C ILE A 43 -11.830 9.994 39.244 1.00 0.00 ATOM 341 N LYS A 44 -11.801 8.698 39.543 1.00 0.00 ATOM 342 CA LYS A 44 -10.903 7.761 38.842 1.00 0.00 ATOM 343 CB LYS A 44 -10.940 6.401 39.527 1.00 0.00 ATOM 344 CG LYS A 44 -10.388 6.410 40.940 1.00 0.00 ATOM 345 CD LYS A 44 -10.523 5.071 41.604 1.00 0.00 ATOM 346 CE LYS A 44 -9.746 5.048 42.903 1.00 0.00 ATOM 347 NZ LYS A 44 -10.077 3.828 43.726 1.00 0.00 ATOM 348 O LYS A 44 -10.318 7.275 36.563 1.00 0.00 ATOM 349 C LYS A 44 -11.203 7.638 37.356 1.00 0.00 ATOM 350 N ASN A 45 -12.432 7.984 36.982 1.00 0.00 ATOM 351 CA ASN A 45 -12.847 8.062 35.567 1.00 0.00 ATOM 352 CB ASN A 45 -14.332 7.723 35.406 1.00 0.00 ATOM 353 CG ASN A 45 -14.613 6.261 35.522 1.00 0.00 ATOM 354 ND2 ASN A 45 -14.806 5.804 36.749 1.00 0.00 ATOM 355 OD1 ASN A 45 -14.642 5.533 34.513 1.00 0.00 ATOM 356 O ASN A 45 -12.590 9.607 33.720 1.00 0.00 ATOM 357 C ASN A 45 -12.601 9.446 34.948 1.00 0.00 ATOM 358 N PHE A 46 -12.440 10.473 35.767 1.00 0.00 ATOM 359 CA PHE A 46 -12.235 11.808 35.205 1.00 0.00 ATOM 360 CB PHE A 46 -12.852 12.886 36.081 1.00 0.00 ATOM 361 CG PHE A 46 -14.342 12.707 36.386 1.00 0.00 ATOM 362 CD1 PHE A 46 -15.191 12.014 35.538 1.00 0.00 ATOM 363 CD2 PHE A 46 -14.869 13.309 37.536 1.00 0.00 ATOM 364 CE1 PHE A 46 -16.526 11.866 35.866 1.00 0.00 ATOM 365 CE2 PHE A 46 -16.174 13.193 37.846 1.00 0.00 ATOM 366 CZ PHE A 46 -17.016 12.472 36.996 1.00 0.00 ATOM 367 O PHE A 46 -10.467 12.764 33.953 1.00 0.00 ATOM 368 C PHE A 46 -10.791 12.173 34.952 1.00 0.00 ATOM 369 N PHE A 47 -9.925 11.814 35.880 1.00 0.00 ATOM 370 CA PHE A 47 -8.521 12.250 35.798 1.00 0.00 ATOM 371 CB PHE A 47 -8.022 12.504 37.227 1.00 0.00 ATOM 372 CG PHE A 47 -8.583 13.768 37.813 1.00 0.00 ATOM 373 CD1 PHE A 47 -7.953 14.981 37.576 1.00 0.00 ATOM 374 CD2 PHE A 47 -9.761 13.790 38.533 1.00 0.00 ATOM 375 CE1 PHE A 47 -8.468 16.139 38.063 1.00 0.00 ATOM 376 CE2 PHE A 47 -10.275 14.977 39.013 1.00 0.00 ATOM 377 CZ PHE A 47 -9.630 16.135 38.771 1.00 0.00 ATOM 378 O PHE A 47 -8.120 10.174 34.635 1.00 0.00 ATOM 379 C PHE A 47 -7.654 11.265 34.961 1.00 0.00 ATOM 380 N GLY A 48 -6.445 11.696 34.561 1.00 0.00 ATOM 381 CA GLY A 48 -5.514 10.923 33.724 1.00 0.00 ATOM 382 O GLY A 48 -3.842 11.578 32.076 1.00 0.00 ATOM 383 C GLY A 48 -4.994 11.724 32.531 1.00 0.00 ATOM 384 N SER A 49 -5.848 12.590 32.044 1.00 0.00 ATOM 385 CA SER A 49 -5.574 13.348 30.830 1.00 0.00 ATOM 386 CB SER A 49 -6.631 13.034 29.762 1.00 0.00 ATOM 387 OG SER A 49 -6.523 11.693 29.305 1.00 0.00 ATOM 388 O SER A 49 -5.696 15.629 30.130 1.00 0.00 ATOM 389 C SER A 49 -5.492 14.850 31.061 1.00 0.00 ATOM 390 N GLY A 50 -5.230 15.208 32.309 1.00 0.00 ATOM 391 CA GLY A 50 -5.138 16.622 32.699 1.00 0.00 ATOM 392 O GLY A 50 -7.540 16.631 32.962 1.00 0.00 ATOM 393 C GLY A 50 -6.445 17.203 33.172 1.00 0.00 ATOM 394 N VAL A 51 -6.330 18.380 33.755 1.00 0.00 ATOM 395 CA VAL A 51 -7.479 18.978 34.404 1.00 0.00 ATOM 396 CB VAL A 51 -7.086 20.143 35.364 1.00 0.00 ATOM 397 CG1 VAL A 51 -6.274 19.590 36.525 1.00 0.00 ATOM 398 CG2 VAL A 51 -6.393 21.269 34.643 1.00 0.00 ATOM 399 O VAL A 51 -9.714 19.439 33.810 1.00 0.00 ATOM 400 C VAL A 51 -8.568 19.469 33.462 1.00 0.00 ATOM 401 N VAL A 52 -8.206 19.901 32.276 1.00 0.00 ATOM 402 CA VAL A 52 -9.225 20.341 31.272 1.00 0.00 ATOM 403 CB VAL A 52 -8.558 21.020 30.028 1.00 0.00 ATOM 404 CG1 VAL A 52 -9.571 21.273 28.919 1.00 0.00 ATOM 405 CG2 VAL A 52 -7.829 22.320 30.425 1.00 0.00 ATOM 406 O VAL A 52 -11.325 19.240 30.890 1.00 0.00 ATOM 407 C VAL A 52 -10.098 19.153 30.866 1.00 0.00 ATOM 408 N VAL A 53 -9.455 18.043 30.512 1.00 0.00 ATOM 409 CA VAL A 53 -10.241 16.837 30.170 1.00 0.00 ATOM 410 CB VAL A 53 -9.342 15.719 29.543 1.00 0.00 ATOM 411 CG1 VAL A 53 -10.109 14.422 29.442 1.00 0.00 ATOM 412 CG2 VAL A 53 -8.770 16.164 28.160 1.00 0.00 ATOM 413 O VAL A 53 -12.148 15.873 31.216 1.00 0.00 ATOM 414 C VAL A 53 -11.034 16.321 31.373 1.00 0.00 ATOM 415 N ALA A 54 -10.448 16.395 32.558 1.00 0.00 ATOM 416 CA ALA A 54 -11.109 15.922 33.786 1.00 0.00 ATOM 417 CB ALA A 54 -10.155 16.038 35.016 1.00 0.00 ATOM 418 O ALA A 54 -13.476 16.123 34.315 1.00 0.00 ATOM 419 C ALA A 54 -12.404 16.712 34.032 1.00 0.00 ATOM 420 N VAL A 55 -12.339 18.044 33.939 1.00 0.00 ATOM 421 CA VAL A 55 -13.552 18.875 34.168 1.00 0.00 ATOM 422 CB VAL A 55 -13.202 20.321 34.466 1.00 0.00 ATOM 423 CG1 VAL A 55 -14.439 21.218 34.512 1.00 0.00 ATOM 424 CG2 VAL A 55 -12.457 20.384 35.788 1.00 0.00 ATOM 425 O VAL A 55 -15.775 18.639 33.220 1.00 0.00 ATOM 426 C VAL A 55 -14.554 18.700 33.002 1.00 0.00 ATOM 427 N THR A 56 -14.045 18.528 31.798 1.00 0.00 ATOM 428 CA THR A 56 -14.936 18.288 30.646 1.00 0.00 ATOM 429 CB THR A 56 -14.119 18.193 29.323 1.00 0.00 ATOM 430 CG2 THR A 56 -15.034 17.990 28.075 1.00 0.00 ATOM 431 OG1 THR A 56 -13.328 19.375 29.147 1.00 0.00 ATOM 432 O THR A 56 -16.940 16.899 30.670 1.00 0.00 ATOM 433 C THR A 56 -15.732 16.976 30.869 1.00 0.00 ATOM 434 N ARG A 57 -15.015 15.912 31.257 1.00 0.00 ATOM 435 CA ARG A 57 -15.621 14.632 31.631 1.00 0.00 ATOM 436 CB ARG A 57 -14.520 13.658 31.990 1.00 0.00 ATOM 437 CG ARG A 57 -13.786 13.010 30.792 1.00 0.00 ATOM 438 CD ARG A 57 -12.641 12.145 31.354 1.00 0.00 ATOM 439 NE ARG A 57 -11.976 11.390 30.306 1.00 0.00 ATOM 440 CZ ARG A 57 -10.781 10.835 30.439 1.00 0.00 ATOM 441 NH1 ARG A 57 -10.072 11.052 31.549 1.00 0.00 ATOM 442 NH2 ARG A 57 -10.277 10.142 29.445 1.00 0.00 ATOM 443 O ARG A 57 -17.768 14.209 32.691 1.00 0.00 ATOM 444 C ARG A 57 -16.644 14.785 32.761 1.00 0.00 ATOM 445 N ALA A 58 -16.267 15.534 33.791 1.00 0.00 ATOM 446 CA ALA A 58 -17.158 15.687 34.967 1.00 0.00 ATOM 447 CB ALA A 58 -16.446 16.435 36.145 1.00 0.00 ATOM 448 O ALA A 58 -19.519 16.026 35.036 1.00 0.00 ATOM 449 C ALA A 58 -18.442 16.428 34.610 1.00 0.00 ATOM 450 N LEU A 59 -18.327 17.454 33.786 1.00 0.00 ATOM 451 CA LEU A 59 -19.497 18.191 33.308 1.00 0.00 ATOM 452 CB LEU A 59 -19.094 19.474 32.565 1.00 0.00 ATOM 453 CG LEU A 59 -18.528 20.618 33.396 1.00 0.00 ATOM 454 CD1 LEU A 59 -17.931 21.742 32.504 1.00 0.00 ATOM 455 CD2 LEU A 59 -19.649 21.203 34.327 1.00 0.00 ATOM 456 O LEU A 59 -21.600 17.359 32.521 1.00 0.00 ATOM 457 C LEU A 59 -20.383 17.298 32.433 1.00 0.00 ATOM 458 N ALA A 60 -19.768 16.472 31.588 1.00 0.00 ATOM 459 CA ALA A 60 -20.553 15.559 30.727 1.00 0.00 ATOM 460 CB ALA A 60 -19.612 14.855 29.737 1.00 0.00 ATOM 461 O ALA A 60 -22.434 14.188 31.328 1.00 0.00 ATOM 462 C ALA A 60 -21.269 14.523 31.583 1.00 0.00 ATOM 463 N TYR A 61 -20.568 14.021 32.597 1.00 0.00 ATOM 464 CA TYR A 61 -21.166 13.055 33.500 1.00 0.00 ATOM 465 CB TYR A 61 -20.108 12.515 34.459 1.00 0.00 ATOM 466 CG TYR A 61 -20.551 11.278 35.140 1.00 0.00 ATOM 467 CD1 TYR A 61 -20.666 10.100 34.422 1.00 0.00 ATOM 468 CD2 TYR A 61 -20.847 11.273 36.501 1.00 0.00 ATOM 469 CE1 TYR A 61 -21.064 8.910 35.038 1.00 0.00 ATOM 470 CE2 TYR A 61 -21.248 10.084 37.135 1.00 0.00 ATOM 471 CZ TYR A 61 -21.374 8.907 36.375 1.00 0.00 ATOM 472 OH TYR A 61 -21.782 7.724 36.952 1.00 0.00 ATOM 473 O TYR A 61 -23.436 13.065 34.350 1.00 0.00 ATOM 474 C TYR A 61 -22.345 13.690 34.249 1.00 0.00 ATOM 475 N GLU A 62 -22.189 14.923 34.729 1.00 0.00 ATOM 476 CA GLU A 62 -23.313 15.632 35.357 1.00 0.00 ATOM 477 CB GLU A 62 -22.939 17.047 35.782 1.00 0.00 ATOM 478 CG GLU A 62 -24.087 17.844 36.378 1.00 0.00 ATOM 479 CD GLU A 62 -23.747 19.320 36.627 1.00 0.00 ATOM 480 OE1 GLU A 62 -22.953 19.927 35.851 1.00 0.00 ATOM 481 OE2 GLU A 62 -24.327 19.882 37.581 1.00 0.00 ATOM 482 O GLU A 62 -25.673 15.567 34.778 1.00 0.00 ATOM 483 C GLU A 62 -24.513 15.707 34.379 1.00 0.00 ATOM 484 N ALA A 63 -24.214 15.902 33.094 1.00 0.00 ATOM 485 CA ALA A 63 -25.238 16.059 32.044 1.00 0.00 ATOM 486 CB ALA A 63 -24.644 16.798 30.862 1.00 0.00 ATOM 487 O ALA A 63 -26.807 14.737 30.789 1.00 0.00 ATOM 488 C ALA A 63 -25.872 14.729 31.581 1.00 0.00 ATOM 489 N GLY A 64 -25.333 13.600 32.044 1.00 0.00 ATOM 490 CA GLY A 64 -25.923 12.278 31.809 1.00 0.00 ATOM 491 O GLY A 64 -25.608 10.239 30.622 1.00 0.00 ATOM 492 C GLY A 64 -25.102 11.318 30.968 1.00 0.00 ATOM 493 N SER A 65 -23.877 11.697 30.627 1.00 0.00 ATOM 494 CA SER A 65 -22.967 10.838 29.854 1.00 0.00 ATOM 495 CB SER A 65 -21.694 11.594 29.410 1.00 0.00 ATOM 496 OG SER A 65 -22.033 12.633 28.518 1.00 0.00 ATOM 497 O SER A 65 -22.444 9.570 31.843 1.00 0.00 ATOM 498 C SER A 65 -22.583 9.568 30.621 1.00 0.00 ATOM 499 N SER A 66 -22.455 8.474 29.885 1.00 0.00 ATOM 500 CA SER A 66 -21.976 7.209 30.425 1.00 0.00 ATOM 501 CB SER A 66 -22.185 6.091 29.428 1.00 0.00 ATOM 502 OG SER A 66 -21.301 6.261 28.341 1.00 0.00 ATOM 503 O SER A 66 -19.721 8.054 30.237 1.00 0.00 ATOM 504 C SER A 66 -20.505 7.264 30.803 1.00 0.00 ATOM 505 N ARG A 67 -20.090 6.405 31.722 1.00 0.00 ATOM 506 CA ARG A 67 -18.646 6.311 32.021 1.00 0.00 ATOM 507 CB ARG A 67 -18.335 5.331 33.153 1.00 0.00 ATOM 508 CG ARG A 67 -18.900 5.779 34.429 1.00 0.00 ATOM 509 CD ARG A 67 -18.457 4.932 35.555 1.00 0.00 ATOM 510 NE ARG A 67 -18.554 5.657 36.814 1.00 0.00 ATOM 511 CZ ARG A 67 -18.378 5.081 38.000 1.00 0.00 ATOM 512 NH1 ARG A 67 -18.097 3.778 38.078 1.00 0.00 ATOM 513 NH2 ARG A 67 -18.484 5.811 39.108 1.00 0.00 ATOM 514 O ARG A 67 -16.777 6.410 30.562 1.00 0.00 ATOM 515 C ARG A 67 -17.858 5.902 30.806 1.00 0.00 ATOM 516 N GLU A 68 -18.398 4.972 30.016 1.00 0.00 ATOM 517 CA GLU A 68 -17.738 4.502 28.785 1.00 0.00 ATOM 518 CB GLU A 68 -18.637 3.552 27.975 1.00 0.00 ATOM 519 CG GLU A 68 -17.967 2.947 26.710 1.00 0.00 ATOM 520 CD GLU A 68 -18.215 3.685 25.350 1.00 0.00 ATOM 521 OE1 GLU A 68 -19.003 4.668 25.219 1.00 0.00 ATOM 522 OE2 GLU A 68 -17.574 3.240 24.363 1.00 0.00 ATOM 523 O GLU A 68 -16.313 5.674 27.265 1.00 0.00 ATOM 524 C GLU A 68 -17.388 5.644 27.870 1.00 0.00 ATOM 525 N SER A 69 -18.348 6.561 27.717 1.00 0.00 ATOM 526 CA SER A 69 -18.219 7.639 26.752 1.00 0.00 ATOM 527 CB SER A 69 -19.527 8.427 26.556 1.00 0.00 ATOM 528 OG SER A 69 -19.874 9.236 27.677 1.00 0.00 ATOM 529 O SER A 69 -16.608 9.359 26.262 1.00 0.00 ATOM 530 C SER A 69 -17.118 8.599 27.130 1.00 0.00 ATOM 531 N LEU A 70 -16.760 8.631 28.412 1.00 0.00 ATOM 532 CA LEU A 70 -15.755 9.579 28.861 1.00 0.00 ATOM 533 CB LEU A 70 -15.815 9.692 30.354 1.00 0.00 ATOM 534 CG LEU A 70 -17.152 10.046 30.994 1.00 0.00 ATOM 535 CD1 LEU A 70 -16.969 10.115 32.507 1.00 0.00 ATOM 536 CD2 LEU A 70 -17.806 11.264 30.447 1.00 0.00 ATOM 537 O LEU A 70 -13.453 10.058 28.331 1.00 0.00 ATOM 538 C LEU A 70 -14.331 9.194 28.421 1.00 0.00 ATOM 539 N VAL A 71 -14.090 7.918 28.150 1.00 0.00 ATOM 540 CA VAL A 71 -12.722 7.449 27.896 1.00 0.00 ATOM 541 CB VAL A 71 -12.655 5.928 27.704 1.00 0.00 ATOM 542 CG1 VAL A 71 -11.237 5.482 27.379 1.00 0.00 ATOM 543 CG2 VAL A 71 -13.195 5.169 28.955 1.00 0.00 ATOM 544 O VAL A 71 -10.910 8.680 26.841 1.00 0.00 ATOM 545 C VAL A 71 -12.071 8.215 26.729 1.00 0.00 ATOM 546 N ALA A 72 -12.840 8.434 25.666 1.00 0.00 ATOM 547 CA ALA A 72 -12.337 9.072 24.431 1.00 0.00 ATOM 548 CB ALA A 72 -13.250 8.705 23.239 1.00 0.00 ATOM 549 O ALA A 72 -11.634 11.254 23.653 1.00 0.00 ATOM 550 C ALA A 72 -12.189 10.611 24.542 1.00 0.00 ATOM 551 N PHE A 73 -12.720 11.211 25.608 1.00 0.00 ATOM 552 CA PHE A 73 -12.462 12.617 25.823 1.00 0.00 ATOM 553 CB PHE A 73 -13.092 13.132 27.098 1.00 0.00 ATOM 554 CG PHE A 73 -14.601 13.291 27.070 1.00 0.00 ATOM 555 CD1 PHE A 73 -15.417 12.482 26.313 1.00 0.00 ATOM 556 CD2 PHE A 73 -15.196 14.213 27.930 1.00 0.00 ATOM 557 CE1 PHE A 73 -16.836 12.632 26.356 1.00 0.00 ATOM 558 CE2 PHE A 73 -16.532 14.396 27.999 1.00 0.00 ATOM 559 CZ PHE A 73 -17.399 13.567 27.229 1.00 0.00 ATOM 560 O PHE A 73 -10.202 12.205 26.463 1.00 0.00 ATOM 561 C PHE A 73 -10.978 12.896 25.828 1.00 0.00 ATOM 562 N GLY A 74 -10.600 13.945 25.128 1.00 0.00 ATOM 563 CA GLY A 74 -9.189 14.313 25.046 1.00 0.00 ATOM 564 O GLY A 74 -7.330 13.958 23.626 1.00 0.00 ATOM 565 C GLY A 74 -8.509 13.710 23.822 1.00 0.00 ATOM 566 N THR A 75 -9.225 12.883 23.056 1.00 0.00 ATOM 567 CA THR A 75 -8.721 12.222 21.835 1.00 0.00 ATOM 568 CB THR A 75 -8.878 10.653 21.907 1.00 0.00 ATOM 569 CG2 THR A 75 -8.366 10.058 23.237 1.00 0.00 ATOM 570 OG1 THR A 75 -10.238 10.248 21.626 1.00 0.00 ATOM 571 O THR A 75 -10.595 13.315 20.708 1.00 0.00 ATOM 572 C THR A 75 -9.511 12.702 20.604 1.00 0.00 ATOM 573 N LYS A 76 -8.981 12.379 19.429 1.00 0.00 ATOM 574 CA LYS A 76 -9.647 12.702 18.165 1.00 0.00 ATOM 575 CB LYS A 76 -8.758 12.318 16.965 1.00 0.00 ATOM 576 CG LYS A 76 -8.596 10.828 16.761 1.00 0.00 ATOM 577 O LYS A 76 -11.835 12.581 17.276 1.00 0.00 ATOM 578 C LYS A 76 -11.025 12.085 18.037 1.00 0.00 ATOM 579 N ASP A 77 -11.319 11.047 18.812 1.00 0.00 ATOM 580 CA ASP A 77 -12.603 10.374 18.734 1.00 0.00 ATOM 581 CB ASP A 77 -12.416 8.861 18.898 1.00 0.00 ATOM 582 CG ASP A 77 -11.522 8.270 17.818 1.00 0.00 ATOM 583 OD1 ASP A 77 -11.783 8.542 16.628 1.00 0.00 ATOM 584 OD2 ASP A 77 -10.560 7.555 18.180 1.00 0.00 ATOM 585 O ASP A 77 -14.650 10.256 19.968 1.00 0.00 ATOM 586 C ASP A 77 -13.584 10.859 19.795 1.00 0.00 ATOM 587 N GLU A 78 -13.240 11.918 20.523 1.00 0.00 ATOM 588 CA GLU A 78 -14.156 12.374 21.577 1.00 0.00 ATOM 589 CB GLU A 78 -13.552 13.542 22.364 1.00 0.00 ATOM 590 CG GLU A 78 -13.380 14.810 21.561 1.00 0.00 ATOM 591 CD GLU A 78 -12.592 15.896 22.287 1.00 0.00 ATOM 592 OE1 GLU A 78 -12.053 15.666 23.417 1.00 0.00 ATOM 593 OE2 GLU A 78 -12.528 17.020 21.701 1.00 0.00 ATOM 594 O GLU A 78 -15.679 13.347 19.999 1.00 0.00 ATOM 595 C GLU A 78 -15.552 12.758 21.064 1.00 0.00 ATOM 596 N GLN A 79 -16.576 12.393 21.833 1.00 0.00 ATOM 597 CA GLN A 79 -17.967 12.769 21.570 1.00 0.00 ATOM 598 CB GLN A 79 -18.839 11.518 21.519 1.00 0.00 ATOM 599 CG GLN A 79 -18.400 10.493 20.489 1.00 0.00 ATOM 600 CD GLN A 79 -19.117 10.693 19.228 1.00 0.00 ATOM 601 OE1 GLN A 79 -18.644 11.399 18.342 1.00 0.00 ATOM 602 NE2 GLN A 79 -20.308 10.127 19.143 1.00 0.00 ATOM 603 O GLN A 79 -19.083 13.090 23.648 1.00 0.00 ATOM 604 C GLN A 79 -18.449 13.623 22.730 1.00 0.00 ATOM 605 N ILE A 80 -18.093 14.901 22.717 1.00 0.00 ATOM 606 CA ILE A 80 -18.429 15.784 23.844 1.00 0.00 ATOM 607 CB ILE A 80 -17.409 16.926 24.022 1.00 0.00 ATOM 608 CG1 ILE A 80 -16.040 16.315 24.425 1.00 0.00 ATOM 609 CG2 ILE A 80 -17.904 17.922 25.085 1.00 0.00 ATOM 610 CD1 ILE A 80 -14.961 17.222 24.219 1.00 0.00 ATOM 611 O ILE A 80 -20.243 16.837 22.632 1.00 0.00 ATOM 612 C ILE A 80 -19.894 16.276 23.666 1.00 0.00 ATOM 613 N PRO A 81 -20.754 16.065 24.691 1.00 0.00 ATOM 614 CA PRO A 81 -22.136 16.525 24.594 1.00 0.00 ATOM 615 CB PRO A 81 -22.747 16.170 25.957 1.00 0.00 ATOM 616 CG PRO A 81 -21.789 15.288 26.625 1.00 0.00 ATOM 617 CD PRO A 81 -20.466 15.404 25.974 1.00 0.00 ATOM 618 O PRO A 81 -21.427 18.791 24.904 1.00 0.00 ATOM 619 C PRO A 81 -22.239 18.024 24.371 1.00 0.00 ATOM 620 N GLU A 82 -23.271 18.418 23.635 1.00 0.00 ATOM 621 CA GLU A 82 -23.528 19.811 23.366 1.00 0.00 ATOM 622 CB GLU A 82 -24.702 19.974 22.390 1.00 0.00 ATOM 623 CG GLU A 82 -24.285 19.661 21.015 1.00 0.00 ATOM 624 CD GLU A 82 -25.389 19.863 19.990 1.00 0.00 ATOM 625 OE1 GLU A 82 -26.550 20.230 20.357 1.00 0.00 ATOM 626 OE2 GLU A 82 -25.067 19.692 18.792 1.00 0.00 ATOM 627 O GLU A 82 -23.660 21.857 24.572 1.00 0.00 ATOM 628 C GLU A 82 -23.787 20.632 24.614 1.00 0.00 ATOM 629 N ALA A 83 -24.105 19.987 25.734 1.00 0.00 ATOM 630 CA ALA A 83 -24.265 20.683 27.010 1.00 0.00 ATOM 631 CB ALA A 83 -24.907 19.756 28.009 1.00 0.00 ATOM 632 O ALA A 83 -22.976 22.094 28.504 1.00 0.00 ATOM 633 C ALA A 83 -22.968 21.229 27.613 1.00 0.00 ATOM 634 N VAL A 84 -21.834 20.678 27.173 1.00 0.00 ATOM 635 CA VAL A 84 -20.546 20.978 27.790 1.00 0.00 ATOM 636 CB VAL A 84 -19.714 19.662 28.128 1.00 0.00 ATOM 637 CG1 VAL A 84 -18.358 20.019 28.735 1.00 0.00 ATOM 638 CG2 VAL A 84 -20.532 18.750 29.050 1.00 0.00 ATOM 639 O VAL A 84 -19.446 21.646 25.759 1.00 0.00 ATOM 640 C VAL A 84 -19.752 21.950 26.911 1.00 0.00 ATOM 641 N THR A 85 -19.346 23.065 27.497 1.00 0.00 ATOM 642 CA THR A 85 -18.511 24.042 26.790 1.00 0.00 ATOM 643 CB THR A 85 -19.250 25.391 26.666 1.00 0.00 ATOM 644 CG2 THR A 85 -20.684 25.116 26.267 1.00 0.00 ATOM 645 OG1 THR A 85 -19.178 26.089 27.909 1.00 0.00 ATOM 646 O THR A 85 -17.040 24.187 28.679 1.00 0.00 ATOM 647 C THR A 85 -17.164 24.260 27.477 1.00 0.00 ATOM 648 N GLN A 86 -16.145 24.564 26.687 1.00 0.00 ATOM 649 CA GLN A 86 -14.859 24.961 27.277 1.00 0.00 ATOM 650 CB GLN A 86 -13.741 24.947 26.274 1.00 0.00 ATOM 651 CG GLN A 86 -13.496 23.551 25.719 1.00 0.00 ATOM 652 CD GLN A 86 -13.074 22.503 26.801 1.00 0.00 ATOM 653 OE1 GLN A 86 -12.151 22.768 27.562 1.00 0.00 ATOM 654 NE2 GLN A 86 -13.805 21.389 26.921 1.00 0.00 ATOM 655 O GLN A 86 -14.105 26.390 29.031 1.00 0.00 ATOM 656 C GLN A 86 -14.875 26.249 28.098 1.00 0.00 ATOM 657 N THR A 87 -15.790 27.152 27.782 1.00 0.00 ATOM 658 CA THR A 87 -15.970 28.313 28.600 1.00 0.00 ATOM 659 CB THR A 87 -16.999 29.271 27.950 1.00 0.00 ATOM 660 CG2 THR A 87 -17.299 30.501 28.813 1.00 0.00 ATOM 661 OG1 THR A 87 -16.501 29.703 26.678 1.00 0.00 ATOM 662 O THR A 87 -15.842 28.429 30.990 1.00 0.00 ATOM 663 C THR A 87 -16.388 27.905 30.007 1.00 0.00 ATOM 664 N GLU A 88 -17.335 26.988 30.124 1.00 0.00 ATOM 665 CA GLU A 88 -17.703 26.522 31.448 1.00 0.00 ATOM 666 CB GLU A 88 -18.993 25.717 31.379 1.00 0.00 ATOM 667 CG GLU A 88 -19.592 25.399 32.751 1.00 0.00 ATOM 668 CD GLU A 88 -20.029 26.609 33.567 1.00 0.00 ATOM 669 OE1 GLU A 88 -20.156 27.738 33.026 1.00 0.00 ATOM 670 OE2 GLU A 88 -20.273 26.416 34.785 1.00 0.00 ATOM 671 O GLU A 88 -16.381 25.865 33.340 1.00 0.00 ATOM 672 C GLU A 88 -16.578 25.727 32.130 1.00 0.00 ATOM 673 N VAL A 89 -15.867 24.890 31.368 1.00 0.00 ATOM 674 CA VAL A 89 -14.680 24.187 31.889 1.00 0.00 ATOM 675 CB VAL A 89 -13.991 23.364 30.790 1.00 0.00 ATOM 676 CG1 VAL A 89 -12.615 22.833 31.272 1.00 0.00 ATOM 677 CG2 VAL A 89 -14.898 22.193 30.398 1.00 0.00 ATOM 678 O VAL A 89 -13.269 24.998 33.733 1.00 0.00 ATOM 679 C VAL A 89 -13.709 25.197 32.562 1.00 0.00 ATOM 680 N ASN A 90 -13.387 26.271 31.837 1.00 0.00 ATOM 681 CA ASN A 90 -12.418 27.274 32.286 1.00 0.00 ATOM 682 CB ASN A 90 -12.064 28.265 31.186 1.00 0.00 ATOM 683 CG ASN A 90 -11.301 27.628 30.058 1.00 0.00 ATOM 684 ND2 ASN A 90 -11.306 28.275 28.890 1.00 0.00 ATOM 685 OD1 ASN A 90 -10.712 26.571 30.230 1.00 0.00 ATOM 686 O ASN A 90 -12.181 28.323 34.439 1.00 0.00 ATOM 687 C ASN A 90 -12.947 27.982 33.538 1.00 0.00 ATOM 688 N ARG A 91 -14.263 28.142 33.622 1.00 0.00 ATOM 689 CA ARG A 91 -14.864 28.849 34.787 1.00 0.00 ATOM 690 CB ARG A 91 -16.312 29.221 34.532 1.00 0.00 ATOM 691 CG ARG A 91 -16.884 30.130 35.565 1.00 0.00 ATOM 692 CD ARG A 91 -18.236 30.680 35.109 1.00 0.00 ATOM 693 NE ARG A 91 -19.313 29.700 35.297 1.00 0.00 ATOM 694 CZ ARG A 91 -20.006 29.521 36.426 1.00 0.00 ATOM 695 NH1 ARG A 91 -19.763 30.225 37.508 1.00 0.00 ATOM 696 NH2 ARG A 91 -20.965 28.617 36.464 1.00 0.00 ATOM 697 O ARG A 91 -14.406 28.417 37.124 1.00 0.00 ATOM 698 C ARG A 91 -14.744 27.955 36.021 1.00 0.00 ATOM 699 N VAL A 92 -14.984 26.655 35.848 1.00 0.00 ATOM 700 CA VAL A 92 -14.816 25.700 36.957 1.00 0.00 ATOM 701 CB VAL A 92 -15.408 24.303 36.598 1.00 0.00 ATOM 702 CG1 VAL A 92 -15.076 23.290 37.663 1.00 0.00 ATOM 703 CG2 VAL A 92 -16.913 24.385 36.415 1.00 0.00 ATOM 704 O VAL A 92 -12.973 25.598 38.526 1.00 0.00 ATOM 705 C VAL A 92 -13.321 25.601 37.355 1.00 0.00 ATOM 706 N LEU A 93 -12.438 25.530 36.350 1.00 0.00 ATOM 707 CA LEU A 93 -10.986 25.402 36.628 1.00 0.00 ATOM 708 CB LEU A 93 -10.215 25.206 35.334 1.00 0.00 ATOM 709 CG LEU A 93 -10.303 23.808 34.714 1.00 0.00 ATOM 710 CD1 LEU A 93 -9.592 23.785 33.370 1.00 0.00 ATOM 711 CD2 LEU A 93 -9.652 22.807 35.639 1.00 0.00 ATOM 712 O LEU A 93 -9.466 26.484 38.167 1.00 0.00 ATOM 713 C LEU A 93 -10.440 26.590 37.394 1.00 0.00 ATOM 714 N GLU A 94 -11.047 27.764 37.190 1.00 0.00 ATOM 715 CA GLU A 94 -10.615 28.968 37.887 1.00 0.00 ATOM 716 CB GLU A 94 -11.506 30.129 37.455 1.00 0.00 ATOM 717 CG GLU A 94 -11.111 31.456 38.077 1.00 0.00 ATOM 718 CD GLU A 94 -11.963 32.632 37.602 1.00 0.00 ATOM 719 OE1 GLU A 94 -13.085 32.418 37.088 1.00 0.00 ATOM 720 OE2 GLU A 94 -11.507 33.780 37.778 1.00 0.00 ATOM 721 O GLU A 94 -9.864 29.346 40.168 1.00 0.00 ATOM 722 C GLU A 94 -10.688 28.790 39.425 1.00 0.00 ATOM 723 N VAL A 95 -11.674 28.032 39.877 1.00 0.00 ATOM 724 CA VAL A 95 -11.824 27.665 41.281 1.00 0.00 ATOM 725 CB VAL A 95 -13.322 27.425 41.644 1.00 0.00 ATOM 726 CG1 VAL A 95 -13.486 27.025 43.139 1.00 0.00 ATOM 727 CG2 VAL A 95 -14.161 28.683 41.231 1.00 0.00 ATOM 728 O VAL A 95 -10.288 26.391 42.580 1.00 0.00 ATOM 729 C VAL A 95 -11.018 26.419 41.611 1.00 0.00 ATOM 730 N PHE A 96 -11.150 25.384 40.788 1.00 0.00 ATOM 731 CA PHE A 96 -10.507 24.097 41.090 1.00 0.00 ATOM 732 CB PHE A 96 -10.851 23.082 40.019 1.00 0.00 ATOM 733 CG PHE A 96 -10.195 21.738 40.233 1.00 0.00 ATOM 734 CD1 PHE A 96 -10.719 20.816 41.144 1.00 0.00 ATOM 735 CD2 PHE A 96 -9.071 21.403 39.529 1.00 0.00 ATOM 736 CE1 PHE A 96 -10.083 19.600 41.348 1.00 0.00 ATOM 737 CE2 PHE A 96 -8.432 20.199 39.759 1.00 0.00 ATOM 738 CZ PHE A 96 -8.945 19.288 40.655 1.00 0.00 ATOM 739 O PHE A 96 -8.379 23.527 42.151 1.00 0.00 ATOM 740 C PHE A 96 -8.963 24.136 41.217 1.00 0.00 ATOM 741 N LYS A 97 -8.296 24.789 40.260 1.00 0.00 ATOM 742 CA LYS A 97 -6.827 24.721 40.245 1.00 0.00 ATOM 743 CB LYS A 97 -6.279 25.388 38.984 1.00 0.00 ATOM 744 CG LYS A 97 -6.601 24.565 37.746 1.00 0.00 ATOM 745 CD LYS A 97 -5.829 25.003 36.492 1.00 0.00 ATOM 746 CE LYS A 97 -4.320 25.158 36.746 1.00 0.00 ATOM 747 NZ LYS A 97 -3.528 25.153 35.475 1.00 0.00 ATOM 748 O LYS A 97 -5.432 24.592 42.209 1.00 0.00 ATOM 749 C LYS A 97 -6.190 25.270 41.533 1.00 0.00 ATOM 750 N PRO A 98 -6.525 26.488 41.916 1.00 0.00 ATOM 751 CA PRO A 98 -5.950 27.006 43.162 1.00 0.00 ATOM 752 CB PRO A 98 -6.389 28.466 43.188 1.00 0.00 ATOM 753 CG PRO A 98 -7.521 28.542 42.244 1.00 0.00 ATOM 754 CD PRO A 98 -7.360 27.488 41.219 1.00 0.00 ATOM 755 O PRO A 98 -5.657 26.009 45.349 1.00 0.00 ATOM 756 C PRO A 98 -6.446 26.281 44.413 1.00 0.00 ATOM 757 N TYR A 99 -7.721 25.894 44.398 1.00 0.00 ATOM 758 CA TYR A 99 -8.238 25.168 45.568 1.00 0.00 ATOM 759 CB TYR A 99 -9.716 24.918 45.449 1.00 0.00 ATOM 760 CG TYR A 99 -10.258 24.314 46.720 1.00 0.00 ATOM 761 CD1 TYR A 99 -10.694 25.147 47.756 1.00 0.00 ATOM 762 CD2 TYR A 99 -10.298 22.919 46.912 1.00 0.00 ATOM 763 CE1 TYR A 99 -11.200 24.592 48.945 1.00 0.00 ATOM 764 CE2 TYR A 99 -10.789 22.366 48.077 1.00 0.00 ATOM 765 CZ TYR A 99 -11.233 23.203 49.095 1.00 0.00 ATOM 766 OH TYR A 99 -11.730 22.630 50.267 1.00 0.00 ATOM 767 O TYR A 99 -7.004 23.565 46.862 1.00 0.00 ATOM 768 C TYR A 99 -7.492 23.865 45.772 1.00 0.00 ATOM 769 N TYR A 100 -7.404 23.082 44.699 1.00 0.00 ATOM 770 CA TYR A 100 -6.665 21.830 44.756 1.00 0.00 ATOM 771 CB TYR A 100 -6.766 21.075 43.428 1.00 0.00 ATOM 772 CG TYR A 100 -5.982 19.788 43.527 1.00 0.00 ATOM 773 CD1 TYR A 100 -6.385 18.774 44.369 1.00 0.00 ATOM 774 CD2 TYR A 100 -4.854 19.597 42.792 1.00 0.00 ATOM 775 CE1 TYR A 100 -5.668 17.602 44.472 1.00 0.00 ATOM 776 CE2 TYR A 100 -4.130 18.441 42.886 1.00 0.00 ATOM 777 CZ TYR A 100 -4.527 17.437 43.730 1.00 0.00 ATOM 778 OH TYR A 100 -3.765 16.288 43.830 1.00 0.00 ATOM 779 O TYR A 100 -4.705 21.310 46.102 1.00 0.00 ATOM 780 C TYR A 100 -5.190 22.028 45.201 1.00 0.00 ATOM 781 N ALA A 101 -4.484 22.955 44.565 1.00 0.00 ATOM 782 CA ALA A 101 -3.127 23.279 44.951 1.00 0.00 ATOM 783 CB ALA A 101 -2.589 24.509 44.131 1.00 0.00 ATOM 784 O ALA A 101 -1.984 23.094 47.076 1.00 0.00 ATOM 785 C ALA A 101 -2.961 23.527 46.467 1.00 0.00 ATOM 786 N ASP A 102 -3.918 24.229 47.059 1.00 0.00 ATOM 787 CA ASP A 102 -3.884 24.539 48.489 1.00 0.00 ATOM 788 CB ASP A 102 -4.706 25.809 48.748 1.00 0.00 ATOM 789 CG ASP A 102 -4.110 27.040 48.079 1.00 0.00 ATOM 790 OD1 ASP A 102 -2.878 27.041 47.815 1.00 0.00 ATOM 791 OD2 ASP A 102 -4.877 27.988 47.798 1.00 0.00 ATOM 792 O ASP A 102 -4.412 23.533 50.616 1.00 0.00 ATOM 793 C ASP A 102 -4.459 23.428 49.381 1.00 0.00 ATOM 794 N HIS A 103 -5.043 22.403 48.770 1.00 0.00 ATOM 795 CA HIS A 103 -5.649 21.315 49.530 1.00 0.00 ATOM 796 CB HIS A 103 -7.172 21.450 49.500 1.00 0.00 ATOM 797 CG HIS A 103 -7.666 22.718 50.129 1.00 0.00 ATOM 798 CD2 HIS A 103 -8.184 22.927 51.363 1.00 0.00 ATOM 799 ND1 HIS A 103 -7.721 23.941 49.478 1.00 0.00 ATOM 800 CE1 HIS A 103 -8.239 24.843 50.293 1.00 0.00 ATOM 801 NE2 HIS A 103 -8.496 24.261 51.450 1.00 0.00 ATOM 802 O HIS A 103 -6.052 19.005 49.033 1.00 0.00 ATOM 803 C HIS A 103 -5.238 19.931 49.019 1.00 0.00 ATOM 804 N CYS A 104 -4.049 19.813 48.459 1.00 0.00 ATOM 805 CA CYS A 104 -3.670 18.552 47.831 1.00 0.00 ATOM 806 CB CYS A 104 -2.806 18.783 46.575 1.00 0.00 ATOM 807 SG CYS A 104 -1.286 19.654 46.896 1.00 0.00 ATOM 808 O CYS A 104 -2.482 16.549 48.376 1.00 0.00 ATOM 809 C CYS A 104 -2.938 17.608 48.805 1.00 0.00 ATOM 810 N GLN A 105 -2.841 17.952 50.097 1.00 0.00 ATOM 811 CA GLN A 105 -2.089 17.127 51.037 1.00 0.00 ATOM 812 CB GLN A 105 -0.723 17.755 51.267 1.00 0.00 ATOM 813 CG GLN A 105 0.331 16.750 51.635 1.00 0.00 ATOM 814 CD GLN A 105 1.552 17.432 52.246 1.00 0.00 ATOM 815 OE1 GLN A 105 1.962 18.520 51.798 1.00 0.00 ATOM 816 NE2 GLN A 105 2.121 16.813 53.281 1.00 0.00 ATOM 817 O GLN A 105 -2.294 17.035 53.422 1.00 0.00 ATOM 818 C GLN A 105 -2.845 16.925 52.341 1.00 0.00 ATOM 819 N ILE A 106 -4.120 16.640 52.241 1.00 0.00 ATOM 820 CA ILE A 106 -4.968 16.432 53.413 1.00 0.00 ATOM 821 CB ILE A 106 -6.360 17.125 53.253 1.00 0.00 ATOM 822 CG1 ILE A 106 -6.214 18.638 53.040 1.00 0.00 ATOM 823 CG2 ILE A 106 -7.303 16.839 54.462 1.00 0.00 ATOM 824 CD1 ILE A 106 -7.512 19.347 52.769 1.00 0.00 ATOM 825 O ILE A 106 -4.472 14.344 54.509 1.00 0.00 ATOM 826 C ILE A 106 -5.076 14.899 53.583 1.00 0.00 ATOM 827 N LYS A 107 -5.784 14.212 52.691 1.00 0.00 ATOM 828 CA LYS A 107 -5.837 12.748 52.705 1.00 0.00 ATOM 829 CB LYS A 107 -7.177 12.287 52.129 1.00 0.00 ATOM 830 CG LYS A 107 -8.396 12.777 52.891 1.00 0.00 ATOM 831 CD LYS A 107 -8.319 12.450 54.360 1.00 0.00 ATOM 832 CE LYS A 107 -9.696 12.558 55.038 1.00 0.00 ATOM 833 NZ LYS A 107 -10.439 11.258 54.953 1.00 0.00 ATOM 834 O LYS A 107 -4.455 10.876 51.963 1.00 0.00 ATOM 835 C LYS A 107 -4.689 12.092 51.876 1.00 0.00 ATOM 836 N THR A 108 -3.970 12.894 51.095 1.00 0.00 ATOM 837 CA THR A 108 -2.993 12.348 50.154 1.00 0.00 ATOM 838 CB THR A 108 -2.691 13.315 48.977 1.00 0.00 ATOM 839 CG2 THR A 108 -1.657 12.685 48.037 1.00 0.00 ATOM 840 OG1 THR A 108 -3.901 13.607 48.264 1.00 0.00 ATOM 841 O THR A 108 -1.095 12.675 51.561 1.00 0.00 ATOM 842 C THR A 108 -1.700 11.917 50.847 1.00 0.00 ATOM 843 N GLY A 109 -1.286 10.683 50.563 1.00 0.00 ATOM 844 CA GLY A 109 0.015 10.145 50.961 1.00 0.00 ATOM 845 O GLY A 109 -0.193 8.779 49.000 1.00 0.00 ATOM 846 C GLY A 109 0.509 9.130 49.945 1.00 0.00 ATOM 847 N PRO A 110 1.713 8.596 50.176 1.00 0.00 ATOM 848 CA PRO A 110 2.256 7.563 49.293 1.00 0.00 ATOM 849 CB PRO A 110 3.688 7.378 49.815 1.00 0.00 ATOM 850 CG PRO A 110 3.616 7.810 51.251 1.00 0.00 ATOM 851 CD PRO A 110 2.600 8.905 51.310 1.00 0.00 ATOM 852 O PRO A 110 0.915 6.041 50.548 1.00 0.00 ATOM 853 C PRO A 110 1.439 6.287 49.474 1.00 0.00 ATOM 854 N PHE A 111 1.319 5.486 48.431 1.00 0.00 ATOM 855 CA PHE A 111 0.779 4.132 48.617 1.00 0.00 ATOM 856 CB PHE A 111 0.532 3.413 47.271 1.00 0.00 ATOM 857 CG PHE A 111 -0.605 3.989 46.464 1.00 0.00 ATOM 858 CD1 PHE A 111 -1.940 3.624 46.717 1.00 0.00 ATOM 859 CD2 PHE A 111 -0.345 4.854 45.417 1.00 0.00 ATOM 860 CE1 PHE A 111 -2.973 4.148 45.943 1.00 0.00 ATOM 861 CE2 PHE A 111 -1.371 5.380 44.688 1.00 0.00 ATOM 862 CZ PHE A 111 -2.677 4.999 44.933 1.00 0.00 ATOM 863 O PHE A 111 2.983 3.522 49.427 1.00 0.00 ATOM 864 C PHE A 111 1.747 3.314 49.467 1.00 0.00 ATOM 865 N PRO A 112 1.218 2.343 50.214 1.00 0.00 ATOM 866 CA PRO A 112 2.069 1.412 50.976 1.00 0.00 ATOM 867 CB PRO A 112 1.088 0.335 51.431 1.00 0.00 ATOM 868 CG PRO A 112 -0.237 1.078 51.479 1.00 0.00 ATOM 869 CD PRO A 112 -0.214 2.027 50.334 1.00 0.00 ATOM 870 O PRO A 112 2.993 0.355 49.018 1.00 0.00 ATOM 871 C PRO A 112 3.207 0.816 50.131 1.00 0.00 ATOM 872 N GLY A 113 4.419 0.867 50.654 1.00 0.00 ATOM 873 CA GLY A 113 5.532 0.331 49.905 1.00 0.00 ATOM 874 O GLY A 113 7.391 0.928 48.580 1.00 0.00 ATOM 875 C GLY A 113 6.314 1.265 49.022 1.00 0.00 ATOM 876 N ILE A 114 5.724 2.392 48.636 1.00 0.00 ATOM 877 CA ILE A 114 6.355 3.306 47.669 1.00 0.00 ATOM 878 CB ILE A 114 5.313 4.309 47.154 1.00 0.00 ATOM 879 CG1 ILE A 114 4.227 3.613 46.280 1.00 0.00 ATOM 880 CG2 ILE A 114 5.998 5.564 46.498 1.00 0.00 ATOM 881 CD1 ILE A 114 4.788 2.824 45.085 1.00 0.00 ATOM 882 O ILE A 114 8.628 4.097 47.472 1.00 0.00 ATOM 883 C ILE A 114 7.638 4.010 48.179 1.00 0.00 ATOM 884 N LEU A 115 7.599 4.504 49.403 1.00 0.00 ATOM 885 CA LEU A 115 8.808 5.080 50.041 1.00 0.00 ATOM 886 CB LEU A 115 8.475 5.645 51.426 1.00 0.00 ATOM 887 CG LEU A 115 7.568 6.876 51.430 1.00 0.00 ATOM 888 CD1 LEU A 115 7.203 7.325 52.845 1.00 0.00 ATOM 889 CD2 LEU A 115 8.204 8.035 50.638 1.00 0.00 ATOM 890 O LEU A 115 11.132 4.408 49.737 1.00 0.00 ATOM 891 C LEU A 115 9.979 4.065 50.076 1.00 0.00 ATOM 892 N ASP A 116 9.686 2.818 50.425 1.00 0.00 ATOM 893 CA ASP A 116 10.703 1.783 50.413 1.00 0.00 ATOM 894 CB ASP A 116 10.185 0.439 50.971 1.00 0.00 ATOM 895 CG ASP A 116 9.921 0.430 52.510 1.00 0.00 ATOM 896 OD1 ASP A 116 10.369 1.318 53.253 1.00 0.00 ATOM 897 OD2 ASP A 116 9.237 -0.517 52.965 1.00 0.00 ATOM 898 O ASP A 116 12.398 1.358 48.765 1.00 0.00 ATOM 899 C ASP A 116 11.216 1.529 48.980 1.00 0.00 ATOM 900 N LEU A 117 10.309 1.482 48.021 1.00 0.00 ATOM 901 CA LEU A 117 10.694 1.305 46.622 1.00 0.00 ATOM 902 CB LEU A 117 9.437 1.350 45.728 1.00 0.00 ATOM 903 CG LEU A 117 9.577 1.348 44.185 1.00 0.00 ATOM 904 CD1 LEU A 117 10.137 0.057 43.649 1.00 0.00 ATOM 905 CD2 LEU A 117 8.203 1.702 43.512 1.00 0.00 ATOM 906 O LEU A 117 12.709 2.015 45.551 1.00 0.00 ATOM 907 C LEU A 117 11.700 2.337 46.176 1.00 0.00 ATOM 908 N MET A 118 11.405 3.596 46.461 1.00 0.00 ATOM 909 CA MET A 118 12.301 4.700 46.036 1.00 0.00 ATOM 910 CB MET A 118 11.657 6.089 46.245 1.00 0.00 ATOM 911 CG MET A 118 10.319 6.267 45.478 1.00 0.00 ATOM 912 SD MET A 118 10.342 5.752 43.590 1.00 0.00 ATOM 913 CE MET A 118 8.447 5.974 43.198 1.00 0.00 ATOM 914 O MET A 118 14.729 4.796 46.009 1.00 0.00 ATOM 915 C MET A 118 13.694 4.621 46.676 1.00 0.00 ATOM 916 N LYS A 119 13.716 4.323 47.959 1.00 0.00 ATOM 917 CA LYS A 119 14.969 4.136 48.684 1.00 0.00 ATOM 918 CB LYS A 119 14.640 3.831 50.153 1.00 0.00 ATOM 919 CG LYS A 119 15.825 3.586 51.063 1.00 0.00 ATOM 920 CD LYS A 119 15.372 3.499 52.538 1.00 0.00 ATOM 921 O LYS A 119 17.003 3.147 47.855 1.00 0.00 ATOM 922 C LYS A 119 15.780 3.013 48.055 1.00 0.00 ATOM 923 N ASN A 120 15.100 1.893 47.766 1.00 0.00 ATOM 924 CA ASN A 120 15.767 0.705 47.277 1.00 0.00 ATOM 925 CB ASN A 120 14.821 -0.496 47.263 1.00 0.00 ATOM 926 CG ASN A 120 14.459 -1.005 48.666 1.00 0.00 ATOM 927 ND2 ASN A 120 13.440 -1.867 48.732 1.00 0.00 ATOM 928 OD1 ASN A 120 15.059 -0.601 49.673 1.00 0.00 ATOM 929 O ASN A 120 17.400 0.528 45.528 1.00 0.00 ATOM 930 C ASN A 120 16.283 0.942 45.873 1.00 0.00 ATOM 931 N LEU A 121 15.472 1.588 45.029 1.00 0.00 ATOM 932 CA LEU A 121 15.935 1.820 43.641 1.00 0.00 ATOM 933 CB LEU A 121 14.798 2.342 42.762 1.00 0.00 ATOM 934 CG LEU A 121 13.636 1.378 42.442 1.00 0.00 ATOM 935 CD1 LEU A 121 12.566 2.182 41.725 1.00 0.00 ATOM 936 CD2 LEU A 121 14.037 0.145 41.634 1.00 0.00 ATOM 937 O LEU A 121 18.068 2.562 42.811 1.00 0.00 ATOM 938 C LEU A 121 17.143 2.764 43.607 1.00 0.00 ATOM 939 N ARG A 122 17.143 3.805 44.427 1.00 0.00 ATOM 940 CA ARG A 122 18.259 4.755 44.438 1.00 0.00 ATOM 941 CB ARG A 122 17.977 5.940 45.352 1.00 0.00 ATOM 942 CG ARG A 122 16.832 6.805 44.872 1.00 0.00 ATOM 943 CD ARG A 122 16.396 7.803 45.941 1.00 0.00 ATOM 944 NE ARG A 122 17.551 8.524 46.480 1.00 0.00 ATOM 945 CZ ARG A 122 18.219 9.477 45.830 1.00 0.00 ATOM 946 NH1 ARG A 122 17.860 9.863 44.598 1.00 0.00 ATOM 947 NH2 ARG A 122 19.248 10.071 46.425 1.00 0.00 ATOM 948 O ARG A 122 20.588 4.220 44.379 1.00 0.00 ATOM 949 C ARG A 122 19.504 4.004 44.916 1.00 0.00 ATOM 950 N GLN A 123 19.338 3.090 45.871 1.00 0.00 ATOM 951 CA GLN A 123 20.482 2.293 46.375 1.00 0.00 ATOM 952 CB GLN A 123 20.095 1.439 47.597 1.00 0.00 ATOM 953 O GLN A 123 22.279 1.130 45.298 1.00 0.00 ATOM 954 C GLN A 123 21.082 1.418 45.269 1.00 0.00 ATOM 955 N LYS A 124 20.257 0.983 44.311 1.00 0.00 ATOM 956 CA LYS A 124 20.694 0.160 43.182 1.00 0.00 ATOM 957 CB LYS A 124 19.583 -0.787 42.747 1.00 0.00 ATOM 958 CG LYS A 124 19.108 -1.815 43.801 1.00 0.00 ATOM 959 CD LYS A 124 19.999 -3.047 43.785 1.00 0.00 ATOM 960 CE LYS A 124 19.664 -4.047 44.895 1.00 0.00 ATOM 961 O LYS A 124 21.498 0.437 40.956 1.00 0.00 ATOM 962 C LYS A 124 21.142 0.998 41.986 1.00 0.00 ATOM 963 N GLY A 125 21.166 2.326 42.148 1.00 0.00 ATOM 964 CA GLY A 125 21.708 3.258 41.165 1.00 0.00 ATOM 965 O GLY A 125 21.192 4.172 39.052 1.00 0.00 ATOM 966 C GLY A 125 20.756 3.658 40.058 1.00 0.00 ATOM 967 N VAL A 126 19.465 3.443 40.240 1.00 0.00 ATOM 968 CA VAL A 126 18.455 3.799 39.226 1.00 0.00 ATOM 969 CB VAL A 126 17.170 2.907 39.326 1.00 0.00 ATOM 970 CG1 VAL A 126 16.143 3.288 38.247 1.00 0.00 ATOM 971 CG2 VAL A 126 17.539 1.409 39.258 1.00 0.00 ATOM 972 O VAL A 126 17.799 5.671 40.588 1.00 0.00 ATOM 973 C VAL A 126 18.085 5.252 39.447 1.00 0.00 ATOM 974 N LYS A 127 18.090 6.045 38.370 1.00 0.00 ATOM 975 CA LYS A 127 17.638 7.428 38.421 1.00 0.00 ATOM 976 CB LYS A 127 18.154 8.175 37.189 1.00 0.00 ATOM 977 CG LYS A 127 19.641 8.321 37.113 1.00 0.00 ATOM 978 CD LYS A 127 20.064 9.296 36.048 1.00 0.00 ATOM 979 CE LYS A 127 21.558 9.547 36.077 1.00 0.00 ATOM 980 NZ LYS A 127 21.801 10.974 35.701 1.00 0.00 ATOM 981 O LYS A 127 15.482 6.671 37.753 1.00 0.00 ATOM 982 C LYS A 127 16.116 7.457 38.450 1.00 0.00 ATOM 983 N LEU A 128 15.523 8.368 39.238 1.00 0.00 ATOM 984 CA LEU A 128 14.091 8.391 39.456 1.00 0.00 ATOM 985 CB LEU A 128 13.722 8.095 40.899 1.00 0.00 ATOM 986 CG LEU A 128 14.309 6.853 41.593 1.00 0.00 ATOM 987 CD1 LEU A 128 13.882 6.883 43.106 1.00 0.00 ATOM 988 CD2 LEU A 128 13.871 5.536 40.877 1.00 0.00 ATOM 989 O LEU A 128 14.081 10.774 39.334 1.00 0.00 ATOM 990 C LEU A 128 13.524 9.749 39.067 1.00 0.00 ATOM 991 N ALA A 129 12.383 9.726 38.401 1.00 0.00 ATOM 992 CA ALA A 129 11.671 10.948 37.941 1.00 0.00 ATOM 993 CB ALA A 129 12.073 11.297 36.496 1.00 0.00 ATOM 994 O ALA A 129 9.654 9.666 38.132 1.00 0.00 ATOM 995 C ALA A 129 10.169 10.782 38.055 1.00 0.00 ATOM 996 N VAL A 130 9.487 11.923 38.112 1.00 0.00 ATOM 997 CA VAL A 130 8.026 12.030 38.060 1.00 0.00 ATOM 998 CB VAL A 130 7.436 12.678 39.311 1.00 0.00 ATOM 999 CG1 VAL A 130 5.855 12.843 39.165 1.00 0.00 ATOM 1000 CG2 VAL A 130 7.820 11.923 40.537 1.00 0.00 ATOM 1001 O VAL A 130 8.222 13.981 36.696 1.00 0.00 ATOM 1002 C VAL A 130 7.668 12.907 36.865 1.00 0.00 ATOM 1003 N VAL A 131 6.797 12.391 36.024 1.00 0.00 ATOM 1004 CA VAL A 131 6.227 13.144 34.900 1.00 0.00 ATOM 1005 CB VAL A 131 6.882 12.784 33.557 1.00 0.00 ATOM 1006 CG1 VAL A 131 6.171 13.528 32.400 1.00 0.00 ATOM 1007 CG2 VAL A 131 8.370 13.102 33.594 1.00 0.00 ATOM 1008 O VAL A 131 4.278 11.720 34.747 1.00 0.00 ATOM 1009 C VAL A 131 4.728 12.858 34.932 1.00 0.00 ATOM 1010 N SER A 132 3.946 13.893 35.185 1.00 0.00 ATOM 1011 CA SER A 132 2.514 13.768 35.550 1.00 0.00 ATOM 1012 CB SER A 132 2.415 13.965 37.060 1.00 0.00 ATOM 1013 OG SER A 132 1.091 14.087 37.530 1.00 0.00 ATOM 1014 O SER A 132 2.127 15.967 34.603 1.00 0.00 ATOM 1015 C SER A 132 1.673 14.840 34.820 1.00 0.00 ATOM 1016 N ASN A 133 0.418 14.499 34.536 1.00 0.00 ATOM 1017 CA ASN A 133 -0.565 15.467 34.002 1.00 0.00 ATOM 1018 CB ASN A 133 -1.682 14.780 33.147 1.00 0.00 ATOM 1019 CG ASN A 133 -1.255 14.575 31.677 1.00 0.00 ATOM 1020 ND2 ASN A 133 -1.981 13.719 30.961 1.00 0.00 ATOM 1021 OD1 ASN A 133 -0.264 15.174 31.229 1.00 0.00 ATOM 1022 O ASN A 133 -2.005 17.190 34.779 1.00 0.00 ATOM 1023 C ASN A 133 -1.239 16.285 35.098 1.00 0.00 ATOM 1024 N LYS A 134 -0.866 16.046 36.356 1.00 0.00 ATOM 1025 CA LYS A 134 -1.272 16.937 37.461 1.00 0.00 ATOM 1026 CB LYS A 134 -0.842 16.353 38.796 1.00 0.00 ATOM 1027 CG LYS A 134 -1.214 17.223 39.994 1.00 0.00 ATOM 1028 CD LYS A 134 -0.754 16.582 41.338 1.00 0.00 ATOM 1029 CE LYS A 134 -1.330 15.199 41.616 1.00 0.00 ATOM 1030 NZ LYS A 134 -2.826 15.153 41.607 1.00 0.00 ATOM 1031 O LYS A 134 0.526 18.395 36.824 1.00 0.00 ATOM 1032 C LYS A 134 -0.634 18.313 37.255 1.00 0.00 ATOM 1033 N PRO A 135 -1.369 19.394 37.486 1.00 0.00 ATOM 1034 CA PRO A 135 -0.684 20.667 37.303 1.00 0.00 ATOM 1035 CB PRO A 135 -1.686 21.701 37.865 1.00 0.00 ATOM 1036 CG PRO A 135 -3.007 21.022 37.672 1.00 0.00 ATOM 1037 CD PRO A 135 -2.753 19.577 37.965 1.00 0.00 ATOM 1038 O PRO A 135 0.761 20.299 39.210 1.00 0.00 ATOM 1039 C PRO A 135 0.639 20.757 38.050 1.00 0.00 ATOM 1040 N ASN A 136 1.636 21.329 37.382 1.00 0.00 ATOM 1041 CA ASN A 136 2.982 21.385 37.931 1.00 0.00 ATOM 1042 CB ASN A 136 3.900 22.164 37.000 1.00 0.00 ATOM 1043 CG ASN A 136 5.370 22.045 37.383 1.00 0.00 ATOM 1044 ND2 ASN A 136 6.021 23.175 37.585 1.00 0.00 ATOM 1045 OD1 ASN A 136 5.921 20.962 37.476 1.00 0.00 ATOM 1046 O ASN A 136 3.867 21.516 40.131 1.00 0.00 ATOM 1047 C ASN A 136 3.088 21.979 39.348 1.00 0.00 ATOM 1048 N GLU A 137 2.331 23.024 39.651 1.00 0.00 ATOM 1049 CA GLU A 137 2.413 23.665 40.959 1.00 0.00 ATOM 1050 CB GLU A 137 1.460 24.851 40.995 1.00 0.00 ATOM 1051 CG GLU A 137 -0.026 24.498 40.803 1.00 0.00 ATOM 1052 CD GLU A 137 -0.535 24.555 39.341 1.00 0.00 ATOM 1053 OE1 GLU A 137 0.303 24.603 38.348 1.00 0.00 ATOM 1054 OE2 GLU A 137 -1.810 24.551 39.231 1.00 0.00 ATOM 1055 O GLU A 137 2.800 22.630 43.111 1.00 0.00 ATOM 1056 C GLU A 137 2.111 22.658 42.077 1.00 0.00 ATOM 1057 N ALA A 138 1.118 21.791 41.849 1.00 0.00 ATOM 1058 CA ALA A 138 0.722 20.779 42.827 1.00 0.00 ATOM 1059 CB ALA A 138 -0.669 20.227 42.524 1.00 0.00 ATOM 1060 O ALA A 138 2.138 19.132 43.900 1.00 0.00 ATOM 1061 C ALA A 138 1.753 19.617 42.838 1.00 0.00 ATOM 1062 N VAL A 139 2.270 19.232 41.677 1.00 0.00 ATOM 1063 CA VAL A 139 3.314 18.231 41.617 1.00 0.00 ATOM 1064 CB VAL A 139 3.781 17.954 40.158 1.00 0.00 ATOM 1065 CG1 VAL A 139 5.116 17.083 40.147 1.00 0.00 ATOM 1066 CG2 VAL A 139 2.643 17.220 39.354 1.00 0.00 ATOM 1067 O VAL A 139 5.085 17.850 43.228 1.00 0.00 ATOM 1068 C VAL A 139 4.538 18.651 42.464 1.00 0.00 ATOM 1069 N GLN A 140 5.014 19.872 42.254 1.00 0.00 ATOM 1070 CA GLN A 140 6.188 20.367 42.966 1.00 0.00 ATOM 1071 CB GLN A 140 6.610 21.741 42.419 1.00 0.00 ATOM 1072 CG GLN A 140 7.019 21.785 40.944 1.00 0.00 ATOM 1073 CD GLN A 140 8.092 20.804 40.585 1.00 0.00 ATOM 1074 OE1 GLN A 140 8.997 20.502 41.386 1.00 0.00 ATOM 1075 NE2 GLN A 140 8.000 20.284 39.380 1.00 0.00 ATOM 1076 O GLN A 140 6.903 19.965 45.250 1.00 0.00 ATOM 1077 C GLN A 140 6.001 20.392 44.504 1.00 0.00 ATOM 1078 N VAL A 141 4.840 20.840 44.978 1.00 0.00 ATOM 1079 CA VAL A 141 4.544 20.838 46.398 1.00 0.00 ATOM 1080 CB VAL A 141 3.161 21.453 46.737 1.00 0.00 ATOM 1081 CG1 VAL A 141 2.791 21.201 48.198 1.00 0.00 ATOM 1082 CG2 VAL A 141 3.193 22.931 46.544 1.00 0.00 ATOM 1083 O VAL A 141 5.158 19.152 48.016 1.00 0.00 ATOM 1084 C VAL A 141 4.596 19.411 46.961 1.00 0.00 ATOM 1085 N LEU A 142 3.982 18.492 46.263 1.00 0.00 ATOM 1086 CA LEU A 142 3.868 17.142 46.746 1.00 0.00 ATOM 1087 CB LEU A 142 2.812 16.412 45.913 1.00 0.00 ATOM 1088 CG LEU A 142 1.345 16.845 46.196 1.00 0.00 ATOM 1089 CD1 LEU A 142 0.412 16.242 45.167 1.00 0.00 ATOM 1090 CD2 LEU A 142 0.937 16.412 47.660 1.00 0.00 ATOM 1091 O LEU A 142 5.515 15.652 47.728 1.00 0.00 ATOM 1092 C LEU A 142 5.210 16.408 46.785 1.00 0.00 ATOM 1093 N VAL A 143 6.026 16.622 45.755 1.00 0.00 ATOM 1094 CA VAL A 143 7.320 15.975 45.701 1.00 0.00 ATOM 1095 CB VAL A 143 8.021 16.159 44.340 1.00 0.00 ATOM 1096 CG1 VAL A 143 9.512 15.823 44.477 1.00 0.00 ATOM 1097 CG2 VAL A 143 7.354 15.271 43.322 1.00 0.00 ATOM 1098 O VAL A 143 8.876 15.768 47.504 1.00 0.00 ATOM 1099 C VAL A 143 8.177 16.532 46.826 1.00 0.00 ATOM 1100 N GLU A 144 8.125 17.846 47.034 1.00 0.00 ATOM 1101 CA GLU A 144 8.959 18.480 48.058 1.00 0.00 ATOM 1102 CB GLU A 144 8.888 20.017 47.974 1.00 0.00 ATOM 1103 CG GLU A 144 9.629 20.783 49.103 1.00 0.00 ATOM 1104 O GLU A 144 9.441 17.836 50.298 1.00 0.00 ATOM 1105 C GLU A 144 8.571 18.031 49.455 1.00 0.00 ATOM 1106 N GLU A 145 7.277 17.848 49.684 1.00 0.00 ATOM 1107 CA GLU A 145 6.786 17.527 51.008 1.00 0.00 ATOM 1108 CB GLU A 145 5.359 18.020 51.228 1.00 0.00 ATOM 1109 CG GLU A 145 5.237 19.566 51.229 1.00 0.00 ATOM 1110 CD GLU A 145 6.230 20.262 52.189 1.00 0.00 ATOM 1111 OE1 GLU A 145 6.252 19.924 53.407 1.00 0.00 ATOM 1112 OE2 GLU A 145 7.006 21.128 51.716 1.00 0.00 ATOM 1113 O GLU A 145 7.198 15.673 52.419 1.00 0.00 ATOM 1114 C GLU A 145 6.837 16.058 51.300 1.00 0.00 ATOM 1115 N LEU A 146 6.516 15.222 50.316 1.00 0.00 ATOM 1116 CA LEU A 146 6.410 13.770 50.549 1.00 0.00 ATOM 1117 CB LEU A 146 5.103 13.232 49.972 1.00 0.00 ATOM 1118 CG LEU A 146 3.809 13.892 50.439 1.00 0.00 ATOM 1119 CD1 LEU A 146 2.584 13.383 49.690 1.00 0.00 ATOM 1120 CD2 LEU A 146 3.615 13.702 51.941 1.00 0.00 ATOM 1121 O LEU A 146 7.843 11.851 50.484 1.00 0.00 ATOM 1122 C LEU A 146 7.607 12.968 50.012 1.00 0.00 ATOM 1123 N PHE A 147 8.368 13.524 49.058 1.00 0.00 ATOM 1124 CA PHE A 147 9.541 12.814 48.524 1.00 0.00 ATOM 1125 CB PHE A 147 9.210 12.235 47.142 1.00 0.00 ATOM 1126 CG PHE A 147 8.021 11.331 47.099 1.00 0.00 ATOM 1127 CD1 PHE A 147 8.143 9.974 47.378 1.00 0.00 ATOM 1128 CD2 PHE A 147 6.801 11.800 46.620 1.00 0.00 ATOM 1129 CE1 PHE A 147 7.030 9.145 47.246 1.00 0.00 ATOM 1130 CE2 PHE A 147 5.705 10.966 46.492 1.00 0.00 ATOM 1131 CZ PHE A 147 5.821 9.649 46.803 1.00 0.00 ATOM 1132 O PHE A 147 11.434 13.707 47.322 1.00 0.00 ATOM 1133 C PHE A 147 10.791 13.686 48.381 1.00 0.00 ATOM 1134 N PRO A 148 11.161 14.411 49.444 1.00 0.00 ATOM 1135 CA PRO A 148 12.323 15.313 49.336 1.00 0.00 ATOM 1136 CB PRO A 148 12.355 16.032 50.693 1.00 0.00 ATOM 1137 CG PRO A 148 11.575 15.148 51.616 1.00 0.00 ATOM 1138 CD PRO A 148 10.558 14.425 50.791 1.00 0.00 ATOM 1139 O PRO A 148 13.877 13.512 49.729 1.00 0.00 ATOM 1140 C PRO A 148 13.621 14.543 49.091 1.00 0.00 ATOM 1141 N GLY A 149 14.405 15.018 48.134 1.00 0.00 ATOM 1142 CA GLY A 149 15.642 14.342 47.748 1.00 0.00 ATOM 1143 O GLY A 149 16.606 12.446 46.653 1.00 0.00 ATOM 1144 C GLY A 149 15.562 13.021 46.981 1.00 0.00 ATOM 1145 N SER A 150 14.358 12.541 46.680 1.00 0.00 ATOM 1146 CA SER A 150 14.177 11.231 46.023 1.00 0.00 ATOM 1147 CB SER A 150 12.786 10.660 46.313 1.00 0.00 ATOM 1148 OG SER A 150 12.762 10.115 47.612 1.00 0.00 ATOM 1149 O SER A 150 14.939 10.335 43.920 1.00 0.00 ATOM 1150 C SER A 150 14.368 11.269 44.511 1.00 0.00 ATOM 1151 N PHE A 151 13.892 12.347 43.893 1.00 0.00 ATOM 1152 CA PHE A 151 13.783 12.417 42.447 1.00 0.00 ATOM 1153 CB PHE A 151 12.348 12.873 42.043 1.00 0.00 ATOM 1154 CG PHE A 151 11.294 11.882 42.393 1.00 0.00 ATOM 1155 CD1 PHE A 151 11.215 10.666 41.716 1.00 0.00 ATOM 1156 CD2 PHE A 151 10.387 12.129 43.418 1.00 0.00 ATOM 1157 CE1 PHE A 151 10.234 9.706 42.046 1.00 0.00 ATOM 1158 CE2 PHE A 151 9.421 11.154 43.762 1.00 0.00 ATOM 1159 CZ PHE A 151 9.344 9.962 43.077 1.00 0.00 ATOM 1160 O PHE A 151 15.132 14.405 42.317 1.00 0.00 ATOM 1161 C PHE A 151 14.813 13.313 41.815 1.00 0.00 ATOM 1162 N ASP A 152 15.348 12.854 40.704 1.00 0.00 ATOM 1163 CA ASP A 152 16.285 13.633 39.946 1.00 0.00 ATOM 1164 CB ASP A 152 17.106 12.692 39.073 1.00 0.00 ATOM 1165 CG ASP A 152 17.886 11.679 39.910 1.00 0.00 ATOM 1166 OD1 ASP A 152 18.555 12.108 40.851 1.00 0.00 ATOM 1167 OD2 ASP A 152 17.783 10.448 39.686 1.00 0.00 ATOM 1168 O ASP A 152 16.230 15.592 38.597 1.00 0.00 ATOM 1169 C ASP A 152 15.588 14.672 39.079 1.00 0.00 ATOM 1170 N PHE A 153 14.274 14.485 38.869 1.00 0.00 ATOM 1171 CA PHE A 153 13.488 15.311 37.986 1.00 0.00 ATOM 1172 CB PHE A 153 13.726 14.901 36.526 1.00 0.00 ATOM 1173 CG PHE A 153 12.941 15.722 35.509 1.00 0.00 ATOM 1174 CD1 PHE A 153 13.464 16.910 35.014 1.00 0.00 ATOM 1175 CD2 PHE A 153 11.704 15.301 35.051 1.00 0.00 ATOM 1176 CE1 PHE A 153 12.753 17.649 34.087 1.00 0.00 ATOM 1177 CE2 PHE A 153 11.014 16.041 34.129 1.00 0.00 ATOM 1178 CZ PHE A 153 11.535 17.213 33.659 1.00 0.00 ATOM 1179 O PHE A 153 11.572 14.025 38.560 1.00 0.00 ATOM 1180 C PHE A 153 12.019 15.137 38.334 1.00 0.00 ATOM 1181 N ALA A 154 11.272 16.231 38.344 1.00 0.00 ATOM 1182 CA ALA A 154 9.838 16.168 38.588 1.00 0.00 ATOM 1183 CB ALA A 154 9.485 16.296 40.085 1.00 0.00 ATOM 1184 O ALA A 154 9.668 18.414 37.780 1.00 0.00 ATOM 1185 C ALA A 154 9.190 17.272 37.780 1.00 0.00 ATOM 1186 N LEU A 155 8.164 16.911 37.020 1.00 0.00 ATOM 1187 CA LEU A 155 7.443 17.873 36.191 1.00 0.00 ATOM 1188 CB LEU A 155 8.026 17.872 34.784 1.00 0.00 ATOM 1189 CG LEU A 155 7.395 18.860 33.787 1.00 0.00 ATOM 1190 CD1 LEU A 155 7.600 20.317 34.246 1.00 0.00 ATOM 1191 CD2 LEU A 155 8.003 18.576 32.381 1.00 0.00 ATOM 1192 O LEU A 155 5.617 16.352 35.820 1.00 0.00 ATOM 1193 C LEU A 155 5.962 17.502 36.101 1.00 0.00 ATOM 1194 N GLY A 156 5.089 18.499 36.302 1.00 0.00 ATOM 1195 CA GLY A 156 3.694 18.399 35.977 1.00 0.00 ATOM 1196 O GLY A 156 4.102 19.941 34.203 1.00 0.00 ATOM 1197 C GLY A 156 3.286 19.274 34.791 1.00 0.00 ATOM 1198 N GLU A 157 2.000 19.279 34.476 1.00 0.00 ATOM 1199 CA GLU A 157 1.464 19.976 33.345 1.00 0.00 ATOM 1200 CB GLU A 157 0.029 19.503 33.098 1.00 0.00 ATOM 1201 CG GLU A 157 -0.694 20.162 31.931 1.00 0.00 ATOM 1202 CD GLU A 157 -1.434 21.442 32.312 1.00 0.00 ATOM 1203 OE1 GLU A 157 -2.128 21.466 33.392 1.00 0.00 ATOM 1204 OE2 GLU A 157 -1.310 22.421 31.521 1.00 0.00 ATOM 1205 O GLU A 157 1.303 22.043 34.631 1.00 0.00 ATOM 1206 C GLU A 157 1.556 21.498 33.532 1.00 0.00 ATOM 1207 N LYS A 158 1.909 22.178 32.438 1.00 0.00 ATOM 1208 CA LYS A 158 2.067 23.627 32.398 1.00 0.00 ATOM 1209 CB LYS A 158 3.544 24.028 32.351 1.00 0.00 ATOM 1210 CG LYS A 158 4.301 23.695 33.626 1.00 0.00 ATOM 1211 CD LYS A 158 5.632 24.420 33.764 1.00 0.00 ATOM 1212 CE LYS A 158 6.777 23.697 33.133 1.00 0.00 ATOM 1213 NZ LYS A 158 8.090 24.053 33.816 1.00 0.00 ATOM 1214 O LYS A 158 1.604 23.473 30.067 1.00 0.00 ATOM 1215 C LYS A 158 1.437 24.102 31.109 1.00 0.00 ATOM 1216 N SER A 159 0.766 25.238 31.192 1.00 0.00 ATOM 1217 CA SER A 159 0.294 25.970 30.033 1.00 0.00 ATOM 1218 CB SER A 159 -0.244 27.342 30.447 1.00 0.00 ATOM 1219 OG SER A 159 -1.395 27.627 29.670 1.00 0.00 ATOM 1220 O SER A 159 2.488 26.620 29.338 1.00 0.00 ATOM 1221 C SER A 159 1.383 26.184 29.005 1.00 0.00 ATOM 1222 N GLY A 160 1.071 25.863 27.759 1.00 0.00 ATOM 1223 CA GLY A 160 1.993 26.092 26.674 1.00 0.00 ATOM 1224 O GLY A 160 3.689 25.002 25.386 1.00 0.00 ATOM 1225 C GLY A 160 2.922 24.933 26.344 1.00 0.00 ATOM 1226 N ILE A 161 2.850 23.862 27.144 1.00 0.00 ATOM 1227 CA ILE A 161 3.603 22.647 26.881 1.00 0.00 ATOM 1228 CB ILE A 161 4.623 22.414 27.985 1.00 0.00 ATOM 1229 CG1 ILE A 161 5.575 23.622 28.066 1.00 0.00 ATOM 1230 CG2 ILE A 161 5.419 21.095 27.767 1.00 0.00 ATOM 1231 CD1 ILE A 161 6.501 23.754 26.831 1.00 0.00 ATOM 1232 O ILE A 161 1.784 21.307 27.739 1.00 0.00 ATOM 1233 C ILE A 161 2.624 21.469 26.827 1.00 0.00 ATOM 1234 N ARG A 162 2.701 20.669 25.777 1.00 0.00 ATOM 1235 CA ARG A 162 1.730 19.571 25.620 1.00 0.00 ATOM 1236 CB ARG A 162 1.895 18.827 24.292 1.00 0.00 ATOM 1237 CG ARG A 162 1.706 19.695 23.091 1.00 0.00 ATOM 1238 CD ARG A 162 1.724 18.920 21.829 1.00 0.00 ATOM 1239 NE ARG A 162 3.019 18.264 21.551 1.00 0.00 ATOM 1240 CZ ARG A 162 3.280 17.561 20.448 1.00 0.00 ATOM 1241 NH1 ARG A 162 2.328 17.375 19.545 1.00 0.00 ATOM 1242 NH2 ARG A 162 4.452 16.987 20.272 1.00 0.00 ATOM 1243 O ARG A 162 2.786 18.136 27.285 1.00 0.00 ATOM 1244 C ARG A 162 1.727 18.559 26.786 1.00 0.00 ATOM 1245 N ARG A 163 0.503 18.165 27.175 1.00 0.00 ATOM 1246 CA ARG A 163 0.313 17.163 28.179 1.00 0.00 ATOM 1247 CB ARG A 163 -1.123 17.239 28.688 1.00 0.00 ATOM 1248 CG ARG A 163 -2.146 16.872 27.585 1.00 0.00 ATOM 1249 CD ARG A 163 -3.522 16.656 28.222 1.00 0.00 ATOM 1250 NE ARG A 163 -4.576 16.435 27.219 1.00 0.00 ATOM 1251 CZ ARG A 163 -4.911 15.263 26.696 1.00 0.00 ATOM 1252 NH1 ARG A 163 -4.273 14.140 27.003 1.00 0.00 ATOM 1253 NH2 ARG A 163 -5.916 15.216 25.835 1.00 0.00 ATOM 1254 O ARG A 163 0.733 15.585 26.440 1.00 0.00 ATOM 1255 C ARG A 163 0.636 15.780 27.640 1.00 0.00 ATOM 1256 N LYS A 164 0.775 14.839 28.550 1.00 0.00 ATOM 1257 CA LYS A 164 0.873 13.421 28.191 1.00 0.00 ATOM 1258 CB LYS A 164 1.045 12.528 29.436 1.00 0.00 ATOM 1259 CG LYS A 164 2.335 12.666 30.262 1.00 0.00 ATOM 1260 CD LYS A 164 2.097 12.254 31.733 1.00 0.00 ATOM 1261 CE LYS A 164 1.685 10.801 31.825 1.00 0.00 ATOM 1262 NZ LYS A 164 1.281 10.408 33.214 1.00 0.00 ATOM 1263 O LYS A 164 -1.551 13.603 27.959 1.00 0.00 ATOM 1264 C LYS A 164 -0.480 13.107 27.511 1.00 0.00 ATOM 1265 N PRO A 165 -0.478 12.238 26.498 1.00 0.00 ATOM 1266 CA PRO A 165 0.606 11.380 26.026 1.00 0.00 ATOM 1267 CB PRO A 165 -0.156 10.146 25.540 1.00 0.00 ATOM 1268 CG PRO A 165 -1.419 10.686 24.953 1.00 0.00 ATOM 1269 CD PRO A 165 -1.757 11.910 25.804 1.00 0.00 ATOM 1270 O PRO A 165 2.288 11.125 24.402 1.00 0.00 ATOM 1271 C PRO A 165 1.515 11.927 24.935 1.00 0.00 ATOM 1272 N ALA A 166 1.507 13.255 24.674 1.00 0.00 ATOM 1273 CA ALA A 166 2.552 13.830 23.812 1.00 0.00 ATOM 1274 CB ALA A 166 2.386 15.349 23.628 1.00 0.00 ATOM 1275 O ALA A 166 3.951 13.434 25.711 1.00 0.00 ATOM 1276 C ALA A 166 3.887 13.534 24.467 1.00 0.00 ATOM 1277 N PRO A 167 4.949 13.384 23.657 1.00 0.00 ATOM 1278 CA PRO A 167 6.237 13.040 24.277 1.00 0.00 ATOM 1279 CB PRO A 167 7.078 12.569 23.091 1.00 0.00 ATOM 1280 CG PRO A 167 6.475 13.212 21.922 1.00 0.00 ATOM 1281 CD PRO A 167 5.011 13.348 22.197 1.00 0.00 ATOM 1282 O PRO A 167 8.006 13.939 25.610 1.00 0.00 ATOM 1283 C PRO A 167 6.970 14.191 24.976 1.00 0.00 ATOM 1284 N ASP A 168 6.478 15.422 24.860 1.00 0.00 ATOM 1285 CA ASP A 168 7.285 16.555 25.210 1.00 0.00 ATOM 1286 CB ASP A 168 6.501 17.852 24.995 1.00 0.00 ATOM 1287 CG ASP A 168 5.974 18.030 23.571 1.00 0.00 ATOM 1288 OD1 ASP A 168 5.379 17.090 23.023 1.00 0.00 ATOM 1289 OD2 ASP A 168 6.105 19.132 23.016 1.00 0.00 ATOM 1290 O ASP A 168 8.967 16.826 26.949 1.00 0.00 ATOM 1291 C ASP A 168 7.802 16.529 26.662 1.00 0.00 ATOM 1292 N MET A 169 6.914 16.263 27.608 1.00 0.00 ATOM 1293 CA MET A 169 7.328 16.342 29.030 1.00 0.00 ATOM 1294 CB MET A 169 6.128 16.282 29.948 1.00 0.00 ATOM 1295 CG MET A 169 5.073 17.368 29.664 1.00 0.00 ATOM 1296 SD MET A 169 3.424 17.070 30.671 1.00 0.00 ATOM 1297 CE MET A 169 4.220 17.592 32.124 1.00 0.00 ATOM 1298 O MET A 169 9.286 15.474 30.078 1.00 0.00 ATOM 1299 C MET A 169 8.335 15.247 29.359 1.00 0.00 ATOM 1300 N THR A 170 8.116 14.045 28.854 1.00 0.00 ATOM 1301 CA THR A 170 9.052 12.936 29.082 1.00 0.00 ATOM 1302 CB THR A 170 8.400 11.583 28.699 1.00 0.00 ATOM 1303 CG2 THR A 170 9.411 10.401 28.805 1.00 0.00 ATOM 1304 OG1 THR A 170 7.280 11.372 29.588 1.00 0.00 ATOM 1305 O THR A 170 11.444 12.773 28.833 1.00 0.00 ATOM 1306 C THR A 170 10.386 13.186 28.351 1.00 0.00 ATOM 1307 N SER A 171 10.351 13.897 27.214 1.00 0.00 ATOM 1308 CA SER A 171 11.584 14.256 26.513 1.00 0.00 ATOM 1309 CB SER A 171 11.324 14.835 25.141 1.00 0.00 ATOM 1310 OG SER A 171 10.823 13.843 24.250 1.00 0.00 ATOM 1311 O SER A 171 13.635 15.197 27.385 1.00 0.00 ATOM 1312 C SER A 171 12.401 15.268 27.362 1.00 0.00 ATOM 1313 N GLU A 172 11.706 16.188 28.057 1.00 0.00 ATOM 1314 CA GLU A 172 12.326 17.101 29.059 1.00 0.00 ATOM 1315 CB GLU A 172 11.305 18.040 29.730 1.00 0.00 ATOM 1316 CG GLU A 172 10.786 19.246 28.910 1.00 0.00 ATOM 1317 CD GLU A 172 11.893 20.123 28.383 1.00 0.00 ATOM 1318 OE1 GLU A 172 12.715 20.603 29.203 1.00 0.00 ATOM 1319 OE2 GLU A 172 11.952 20.315 27.151 1.00 0.00 ATOM 1320 O GLU A 172 14.112 16.746 30.670 1.00 0.00 ATOM 1321 C GLU A 172 13.048 16.334 30.189 1.00 0.00 ATOM 1322 N CYS A 173 12.404 15.264 30.648 1.00 0.00 ATOM 1323 CA CYS A 173 12.973 14.358 31.639 1.00 0.00 ATOM 1324 CB CYS A 173 11.887 13.419 32.092 1.00 0.00 ATOM 1325 SG CYS A 173 12.465 12.219 33.276 1.00 0.00 ATOM 1326 O CYS A 173 15.275 13.554 31.749 1.00 0.00 ATOM 1327 C CYS A 173 14.223 13.590 31.110 1.00 0.00 ATOM 1328 N VAL A 174 14.059 12.956 29.953 1.00 0.00 ATOM 1329 CA VAL A 174 15.119 12.215 29.273 1.00 0.00 ATOM 1330 CB VAL A 174 14.563 11.597 27.935 1.00 0.00 ATOM 1331 CG1 VAL A 174 15.668 11.280 26.935 1.00 0.00 ATOM 1332 CG2 VAL A 174 13.697 10.371 28.294 1.00 0.00 ATOM 1333 O VAL A 174 17.483 12.609 29.340 1.00 0.00 ATOM 1334 C VAL A 174 16.369 13.074 29.076 1.00 0.00 ATOM 1335 N LYS A 175 16.173 14.311 28.631 1.00 0.00 ATOM 1336 CA LYS A 175 17.231 15.295 28.456 1.00 0.00 ATOM 1337 CB LYS A 175 16.610 16.543 27.852 1.00 0.00 ATOM 1338 CG LYS A 175 17.396 17.762 27.677 1.00 0.00 ATOM 1339 CD LYS A 175 16.502 18.703 26.775 1.00 0.00 ATOM 1340 CE LYS A 175 16.244 20.076 27.378 1.00 0.00 ATOM 1341 NZ LYS A 175 15.071 20.795 26.757 1.00 0.00 ATOM 1342 O LYS A 175 19.204 15.400 29.807 1.00 0.00 ATOM 1343 C LYS A 175 17.976 15.520 29.771 1.00 0.00 ATOM 1344 N VAL A 176 17.239 15.738 30.862 1.00 0.00 ATOM 1345 CA VAL A 176 17.896 16.029 32.125 1.00 0.00 ATOM 1346 CB VAL A 176 16.882 16.548 33.159 1.00 0.00 ATOM 1347 CG1 VAL A 176 17.497 16.635 34.618 1.00 0.00 ATOM 1348 CG2 VAL A 176 16.362 17.905 32.692 1.00 0.00 ATOM 1349 O VAL A 176 19.756 14.864 33.190 1.00 0.00 ATOM 1350 C VAL A 176 18.641 14.771 32.682 1.00 0.00 ATOM 1351 N LEU A 177 17.991 13.618 32.623 1.00 0.00 ATOM 1352 CA LEU A 177 18.560 12.395 33.197 1.00 0.00 ATOM 1353 CB LEU A 177 17.566 11.223 33.276 1.00 0.00 ATOM 1354 CG LEU A 177 16.400 11.453 34.234 1.00 0.00 ATOM 1355 CD1 LEU A 177 15.549 10.177 34.437 1.00 0.00 ATOM 1356 CD2 LEU A 177 16.812 11.992 35.573 1.00 0.00 ATOM 1357 O LEU A 177 20.667 11.336 32.918 1.00 0.00 ATOM 1358 C LEU A 177 19.757 11.943 32.379 1.00 0.00 ATOM 1359 N GLY A 178 19.753 12.182 31.074 1.00 0.00 ATOM 1360 CA GLY A 178 20.873 11.762 30.236 1.00 0.00 ATOM 1361 O GLY A 178 22.012 9.761 29.542 1.00 0.00 ATOM 1362 C GLY A 178 20.959 10.258 29.946 1.00 0.00 ATOM 1363 N VAL A 179 19.837 9.550 30.119 1.00 0.00 ATOM 1364 CA VAL A 179 19.766 8.097 29.925 1.00 0.00 ATOM 1365 CB VAL A 179 18.958 7.427 31.101 1.00 0.00 ATOM 1366 CG1 VAL A 179 18.850 5.955 30.895 1.00 0.00 ATOM 1367 CG2 VAL A 179 19.635 7.732 32.396 1.00 0.00 ATOM 1368 O VAL A 179 18.118 8.433 28.210 1.00 0.00 ATOM 1369 C VAL A 179 19.118 7.798 28.578 1.00 0.00 ATOM 1370 N PRO A 180 19.694 6.844 27.807 1.00 0.00 ATOM 1371 CA PRO A 180 19.071 6.468 26.552 1.00 0.00 ATOM 1372 CB PRO A 180 20.005 5.374 25.999 1.00 0.00 ATOM 1373 CG PRO A 180 21.324 5.625 26.667 1.00 0.00 ATOM 1374 CD PRO A 180 20.951 6.116 28.047 1.00 0.00 ATOM 1375 O PRO A 180 17.382 5.266 27.805 1.00 0.00 ATOM 1376 C PRO A 180 17.659 5.926 26.782 1.00 0.00 ATOM 1377 N ARG A 181 16.763 6.225 25.856 1.00 0.00 ATOM 1378 CA ARG A 181 15.361 5.801 25.988 1.00 0.00 ATOM 1379 CB ARG A 181 14.541 6.318 24.821 1.00 0.00 ATOM 1380 CG ARG A 181 14.419 7.821 24.827 1.00 0.00 ATOM 1381 CD ARG A 181 13.925 8.410 23.487 1.00 0.00 ATOM 1382 NE ARG A 181 14.006 9.883 23.534 1.00 0.00 ATOM 1383 CZ ARG A 181 13.017 10.653 23.955 1.00 0.00 ATOM 1384 NH1 ARG A 181 11.879 10.108 24.373 1.00 0.00 ATOM 1385 NH2 ARG A 181 13.165 11.964 24.006 1.00 0.00 ATOM 1386 O ARG A 181 14.185 3.803 26.797 1.00 0.00 ATOM 1387 C ARG A 181 15.168 4.268 26.145 1.00 0.00 ATOM 1388 N ASP A 182 16.089 3.492 25.596 1.00 0.00 ATOM 1389 CA ASP A 182 15.987 2.031 25.701 1.00 0.00 ATOM 1390 CB ASP A 182 16.843 1.365 24.602 1.00 0.00 ATOM 1391 CG ASP A 182 18.310 1.730 24.713 1.00 0.00 ATOM 1392 OD1 ASP A 182 18.680 2.850 24.286 1.00 0.00 ATOM 1393 OD2 ASP A 182 19.094 0.904 25.239 1.00 0.00 ATOM 1394 O ASP A 182 16.199 0.335 27.409 1.00 0.00 ATOM 1395 C ASP A 182 16.381 1.517 27.108 1.00 0.00 ATOM 1396 N LYS A 183 16.948 2.405 27.940 1.00 0.00 ATOM 1397 CA LYS A 183 17.283 2.111 29.335 1.00 0.00 ATOM 1398 CB LYS A 183 18.768 2.463 29.641 1.00 0.00 ATOM 1399 CG LYS A 183 19.819 1.493 28.996 1.00 0.00 ATOM 1400 CD LYS A 183 19.814 0.091 29.683 1.00 0.00 ATOM 1401 CE LYS A 183 20.976 -0.777 29.248 1.00 0.00 ATOM 1402 NZ LYS A 183 20.795 -2.234 29.610 1.00 0.00 ATOM 1403 O LYS A 183 16.671 2.977 31.481 1.00 0.00 ATOM 1404 C LYS A 183 16.357 2.853 30.290 1.00 0.00 ATOM 1405 N CYS A 184 15.247 3.374 29.765 1.00 0.00 ATOM 1406 CA CYS A 184 14.207 4.007 30.588 1.00 0.00 ATOM 1407 CB CYS A 184 13.789 5.360 29.994 1.00 0.00 ATOM 1408 SG CYS A 184 15.024 6.602 30.022 1.00 0.00 ATOM 1409 O CYS A 184 12.650 2.385 29.727 1.00 0.00 ATOM 1410 C CYS A 184 12.955 3.115 30.664 1.00 0.00 ATOM 1411 N VAL A 185 12.235 3.169 31.786 1.00 0.00 ATOM 1412 CA VAL A 185 10.910 2.566 31.857 1.00 0.00 ATOM 1413 CB VAL A 185 10.934 1.218 32.648 1.00 0.00 ATOM 1414 CG1 VAL A 185 11.355 1.441 34.102 1.00 0.00 ATOM 1415 CG2 VAL A 185 9.583 0.484 32.577 1.00 0.00 ATOM 1416 O VAL A 185 10.305 4.396 33.316 1.00 0.00 ATOM 1417 C VAL A 185 9.932 3.598 32.468 1.00 0.00 ATOM 1418 N TYR A 186 8.718 3.605 31.951 1.00 0.00 ATOM 1419 CA TYR A 186 7.678 4.496 32.446 1.00 0.00 ATOM 1420 CB TYR A 186 6.956 5.206 31.287 1.00 0.00 ATOM 1421 CG TYR A 186 6.156 6.390 31.776 1.00 0.00 ATOM 1422 CD1 TYR A 186 6.708 7.663 31.939 1.00 0.00 ATOM 1423 CD2 TYR A 186 4.863 6.187 32.216 1.00 0.00 ATOM 1424 CE1 TYR A 186 5.949 8.713 32.487 1.00 0.00 ATOM 1425 CE2 TYR A 186 4.109 7.228 32.746 1.00 0.00 ATOM 1426 CZ TYR A 186 4.658 8.479 32.877 1.00 0.00 ATOM 1427 OH TYR A 186 3.878 9.489 33.443 1.00 0.00 ATOM 1428 O TYR A 186 6.346 2.542 32.811 1.00 0.00 ATOM 1429 C TYR A 186 6.706 3.632 33.239 1.00 0.00 ATOM 1430 N ILE A 187 6.256 4.130 34.374 1.00 0.00 ATOM 1431 CA ILE A 187 5.405 3.363 35.312 1.00 0.00 ATOM 1432 CB ILE A 187 6.081 3.130 36.636 1.00 0.00 ATOM 1433 CG1 ILE A 187 7.440 2.409 36.467 1.00 0.00 ATOM 1434 CG2 ILE A 187 5.112 2.382 37.599 1.00 0.00 ATOM 1435 CD1 ILE A 187 8.605 3.353 36.642 1.00 0.00 ATOM 1436 O ILE A 187 4.201 5.330 35.935 1.00 0.00 ATOM 1437 C ILE A 187 4.141 4.176 35.539 1.00 0.00 ATOM 1438 N GLY A 188 2.983 3.575 35.301 1.00 0.00 ATOM 1439 CA GLY A 188 1.734 4.322 35.555 1.00 0.00 ATOM 1440 O GLY A 188 0.594 2.222 35.478 1.00 0.00 ATOM 1441 C GLY A 188 0.498 3.434 35.650 1.00 0.00 ATOM 1442 N ASP A 189 -0.653 4.041 35.941 1.00 0.00 ATOM 1443 CA ASP A 189 -1.870 3.292 36.207 1.00 0.00 ATOM 1444 CB ASP A 189 -2.466 3.779 37.535 1.00 0.00 ATOM 1445 CG ASP A 189 -2.914 5.251 37.466 1.00 0.00 ATOM 1446 OD1 ASP A 189 -2.217 6.048 36.795 1.00 0.00 ATOM 1447 OD2 ASP A 189 -3.954 5.644 38.049 1.00 0.00 ATOM 1448 O ASP A 189 -4.057 2.912 35.323 1.00 0.00 ATOM 1449 C ASP A 189 -2.960 3.414 35.125 1.00 0.00 ATOM 1450 N SER A 190 -2.657 4.068 34.010 1.00 0.00 ATOM 1451 CA SER A 190 -3.686 4.329 33.017 1.00 0.00 ATOM 1452 CB SER A 190 -4.184 5.763 33.166 1.00 0.00 ATOM 1453 OG SER A 190 -3.338 6.672 32.471 1.00 0.00 ATOM 1454 O SER A 190 -2.044 3.858 31.273 1.00 0.00 ATOM 1455 C SER A 190 -3.236 4.083 31.582 1.00 0.00 ATOM 1456 N GLU A 191 -4.222 4.170 30.684 1.00 0.00 ATOM 1457 CA GLU A 191 -3.973 4.112 29.225 1.00 0.00 ATOM 1458 CB GLU A 191 -5.302 4.060 28.449 1.00 0.00 ATOM 1459 CG GLU A 191 -6.092 5.364 28.330 1.00 0.00 ATOM 1460 CD GLU A 191 -6.886 5.859 29.557 1.00 0.00 ATOM 1461 OE1 GLU A 191 -6.657 5.375 30.688 1.00 0.00 ATOM 1462 OE2 GLU A 191 -7.754 6.761 29.339 1.00 0.00 ATOM 1463 O GLU A 191 -2.377 5.113 27.747 1.00 0.00 ATOM 1464 C GLU A 191 -3.102 5.261 28.725 1.00 0.00 ATOM 1465 N ILE A 192 -3.185 6.421 29.385 1.00 0.00 ATOM 1466 CA ILE A 192 -2.363 7.588 29.010 1.00 0.00 ATOM 1467 CB ILE A 192 -2.794 8.862 29.774 1.00 0.00 ATOM 1468 CG1 ILE A 192 -4.267 9.157 29.500 1.00 0.00 ATOM 1469 CG2 ILE A 192 -1.847 10.076 29.499 1.00 0.00 ATOM 1470 CD1 ILE A 192 -4.567 9.251 28.045 1.00 0.00 ATOM 1471 O ILE A 192 -0.035 7.697 28.466 1.00 0.00 ATOM 1472 C ILE A 192 -0.888 7.261 29.251 1.00 0.00 ATOM 1473 N ASP A 193 -0.588 6.508 30.325 1.00 0.00 ATOM 1474 CA ASP A 193 0.774 6.067 30.626 1.00 0.00 ATOM 1475 CB ASP A 193 0.841 5.551 32.065 1.00 0.00 ATOM 1476 CG ASP A 193 0.345 6.594 33.056 1.00 0.00 ATOM 1477 OD1 ASP A 193 0.693 7.784 32.869 1.00 0.00 ATOM 1478 OD2 ASP A 193 -0.499 6.258 33.887 1.00 0.00 ATOM 1479 O ASP A 193 2.425 5.171 29.111 1.00 0.00 ATOM 1480 C ASP A 193 1.304 5.047 29.598 1.00 0.00 ATOM 1481 N ILE A 194 0.446 4.090 29.251 1.00 0.00 ATOM 1482 CA ILE A 194 0.738 3.166 28.155 1.00 0.00 ATOM 1483 CB ILE A 194 -0.445 2.197 27.901 1.00 0.00 ATOM 1484 CG1 ILE A 194 -0.698 1.314 29.135 1.00 0.00 ATOM 1485 CG2 ILE A 194 -0.170 1.293 26.686 1.00 0.00 ATOM 1486 CD1 ILE A 194 -1.968 0.551 29.165 1.00 0.00 ATOM 1487 O ILE A 194 2.152 3.644 26.243 1.00 0.00 ATOM 1488 C ILE A 194 1.134 3.932 26.878 1.00 0.00 ATOM 1489 N GLN A 195 0.308 4.914 26.506 1.00 0.00 ATOM 1490 CA GLN A 195 0.564 5.695 25.309 1.00 0.00 ATOM 1491 CB GLN A 195 -0.655 6.536 25.016 1.00 0.00 ATOM 1492 CG GLN A 195 -1.883 5.709 24.670 1.00 0.00 ATOM 1493 CD GLN A 195 -3.124 6.577 24.601 1.00 0.00 ATOM 1494 OE1 GLN A 195 -3.056 7.751 24.168 1.00 0.00 ATOM 1495 NE2 GLN A 195 -4.270 6.018 25.008 1.00 0.00 ATOM 1496 O GLN A 195 2.589 6.744 24.435 1.00 0.00 ATOM 1497 C GLN A 195 1.815 6.599 25.394 1.00 0.00 ATOM 1498 N THR A 196 1.986 7.218 26.541 1.00 0.00 ATOM 1499 CA THR A 196 3.114 8.095 26.768 1.00 0.00 ATOM 1500 CB THR A 196 3.075 8.628 28.191 1.00 0.00 ATOM 1501 CG2 THR A 196 4.353 9.423 28.501 1.00 0.00 ATOM 1502 OG1 THR A 196 1.933 9.497 28.337 1.00 0.00 ATOM 1503 O THR A 196 5.362 7.803 25.852 1.00 0.00 ATOM 1504 C THR A 196 4.437 7.314 26.535 1.00 0.00 ATOM 1505 N ALA A 197 4.508 6.114 27.115 1.00 0.00 ATOM 1506 CA ALA A 197 5.700 5.228 26.951 1.00 0.00 ATOM 1507 CB ALA A 197 5.543 3.946 27.751 1.00 0.00 ATOM 1508 O ALA A 197 7.096 5.111 25.004 1.00 0.00 ATOM 1509 C ALA A 197 5.983 4.924 25.482 1.00 0.00 ATOM 1510 N ARG A 198 4.951 4.476 24.769 1.00 0.00 ATOM 1511 CA ARG A 198 5.133 4.141 23.341 1.00 0.00 ATOM 1512 CB ARG A 198 3.858 3.554 22.750 1.00 0.00 ATOM 1513 CG ARG A 198 4.062 3.070 21.280 1.00 0.00 ATOM 1514 CD ARG A 198 3.552 1.696 21.115 1.00 0.00 ATOM 1515 NE ARG A 198 3.887 1.105 19.823 1.00 0.00 ATOM 1516 CZ ARG A 198 3.769 -0.199 19.580 1.00 0.00 ATOM 1517 NH1 ARG A 198 3.383 -1.012 20.561 1.00 0.00 ATOM 1518 NH2 ARG A 198 4.050 -0.713 18.378 1.00 0.00 ATOM 1519 O ARG A 198 6.428 5.254 21.665 1.00 0.00 ATOM 1520 C ARG A 198 5.561 5.352 22.525 1.00 0.00 ATOM 1521 N ASN A 199 4.939 6.501 22.812 1.00 0.00 ATOM 1522 CA ASN A 199 5.249 7.765 22.139 1.00 0.00 ATOM 1523 CB ASN A 199 4.155 8.861 22.388 1.00 0.00 ATOM 1524 CG ASN A 199 2.768 8.445 21.894 1.00 0.00 ATOM 1525 ND2 ASN A 199 1.712 9.109 22.400 1.00 0.00 ATOM 1526 OD1 ASN A 199 2.645 7.507 21.106 1.00 0.00 ATOM 1527 O ASN A 199 7.250 9.053 21.684 1.00 0.00 ATOM 1528 C ASN A 199 6.651 8.297 22.467 1.00 0.00 ATOM 1529 N SER A 200 7.214 7.801 23.574 1.00 0.00 ATOM 1530 CA SER A 200 8.550 8.184 24.019 1.00 0.00 ATOM 1531 CB SER A 200 8.530 8.525 25.500 1.00 0.00 ATOM 1532 OG SER A 200 7.629 9.607 25.778 1.00 0.00 ATOM 1533 O SER A 200 10.702 7.198 24.237 1.00 0.00 ATOM 1534 C SER A 200 9.583 7.086 23.769 1.00 0.00 ATOM 1535 N GLU A 201 9.201 6.060 23.024 1.00 0.00 ATOM 1536 CA GLU A 201 10.090 4.999 22.591 1.00 0.00 ATOM 1537 CB GLU A 201 11.128 5.515 21.584 1.00 0.00 ATOM 1538 CG GLU A 201 10.526 6.221 20.325 1.00 0.00 ATOM 1539 CD GLU A 201 9.676 5.330 19.380 1.00 0.00 ATOM 1540 OE1 GLU A 201 9.752 4.078 19.427 1.00 0.00 ATOM 1541 OE2 GLU A 201 8.928 5.911 18.563 1.00 0.00 ATOM 1542 O GLU A 201 11.946 3.982 23.809 1.00 0.00 ATOM 1543 C GLU A 201 10.748 4.294 23.810 1.00 0.00 ATOM 1544 N MET A 202 9.928 4.049 24.832 1.00 0.00 ATOM 1545 CA MET A 202 10.397 3.326 26.021 1.00 0.00 ATOM 1546 CB MET A 202 10.762 4.304 27.109 1.00 0.00 ATOM 1547 CG MET A 202 9.590 5.026 27.651 1.00 0.00 ATOM 1548 SD MET A 202 10.153 6.284 29.050 1.00 0.00 ATOM 1549 CE MET A 202 11.284 7.427 28.097 1.00 0.00 ATOM 1550 O MET A 202 8.183 2.332 26.175 1.00 0.00 ATOM 1551 C MET A 202 9.371 2.301 26.521 1.00 0.00 ATOM 1552 N ASP A 203 9.882 1.335 27.283 1.00 0.00 ATOM 1553 CA ASP A 203 9.059 0.315 27.908 1.00 0.00 ATOM 1554 CB ASP A 203 9.958 -0.751 28.599 1.00 0.00 ATOM 1555 CG ASP A 203 10.804 -1.574 27.630 1.00 0.00 ATOM 1556 OD1 ASP A 203 10.604 -1.490 26.414 1.00 0.00 ATOM 1557 OD2 ASP A 203 11.684 -2.348 28.081 1.00 0.00 ATOM 1558 O ASP A 203 8.386 2.027 29.488 1.00 0.00 ATOM 1559 C ASP A 203 8.151 0.931 28.970 1.00 0.00 ATOM 1560 N GLU A 204 7.132 0.159 29.335 1.00 0.00 ATOM 1561 CA GLU A 204 6.128 0.580 30.338 1.00 0.00 ATOM 1562 CB GLU A 204 4.857 1.163 29.660 1.00 0.00 ATOM 1563 CG GLU A 204 4.017 2.109 30.512 1.00 0.00 ATOM 1564 CD GLU A 204 2.732 1.503 31.141 1.00 0.00 ATOM 1565 OE1 GLU A 204 2.422 0.282 31.018 1.00 0.00 ATOM 1566 OE2 GLU A 204 2.010 2.333 31.777 1.00 0.00 ATOM 1567 O GLU A 204 5.630 -1.713 30.877 1.00 0.00 ATOM 1568 C GLU A 204 5.740 -0.559 31.280 1.00 0.00 ATOM 1569 N ILE A 205 5.562 -0.220 32.544 1.00 0.00 ATOM 1570 CA ILE A 205 5.030 -1.107 33.554 1.00 0.00 ATOM 1571 CB ILE A 205 6.048 -1.287 34.720 1.00 0.00 ATOM 1572 CG1 ILE A 205 7.329 -1.937 34.235 1.00 0.00 ATOM 1573 CG2 ILE A 205 5.404 -2.046 35.887 1.00 0.00 ATOM 1574 CD1 ILE A 205 8.496 -1.781 35.255 1.00 0.00 ATOM 1575 O ILE A 205 3.722 0.793 34.316 1.00 0.00 ATOM 1576 C ILE A 205 3.745 -0.451 34.066 1.00 0.00 ATOM 1577 N ALA A 206 2.681 -1.251 34.143 1.00 0.00 ATOM 1578 CA ALA A 206 1.392 -0.788 34.645 1.00 0.00 ATOM 1579 CB ALA A 206 0.214 -1.255 33.701 1.00 0.00 ATOM 1580 O ALA A 206 1.528 -2.403 36.410 1.00 0.00 ATOM 1581 C ALA A 206 1.160 -1.289 36.076 1.00 0.00 ATOM 1582 N VAL A 207 0.572 -0.461 36.925 1.00 0.00 ATOM 1583 CA VAL A 207 0.260 -0.813 38.312 1.00 0.00 ATOM 1584 CB VAL A 207 0.855 0.229 39.322 1.00 0.00 ATOM 1585 CG1 VAL A 207 2.348 0.396 39.006 1.00 0.00 ATOM 1586 CG2 VAL A 207 0.104 1.594 39.321 1.00 0.00 ATOM 1587 O VAL A 207 -2.005 -0.260 37.722 1.00 0.00 ATOM 1588 C VAL A 207 -1.270 -0.949 38.421 1.00 0.00 ATOM 1589 N ASN A 208 -1.729 -1.831 39.302 1.00 0.00 ATOM 1590 CA ASN A 208 -3.177 -2.107 39.419 1.00 0.00 ATOM 1591 CB ASN A 208 -3.434 -3.622 39.503 1.00 0.00 ATOM 1592 CG ASN A 208 -3.330 -4.153 40.929 1.00 0.00 ATOM 1593 ND2 ASN A 208 -4.121 -5.174 41.238 1.00 0.00 ATOM 1594 OD1 ASN A 208 -2.578 -3.648 41.736 1.00 0.00 ATOM 1595 O ASN A 208 -5.025 -1.586 40.889 1.00 0.00 ATOM 1596 C ASN A 208 -3.846 -1.372 40.599 1.00 0.00 ATOM 1597 N TRP A 209 -3.084 -0.544 41.310 1.00 0.00 ATOM 1598 CA TRP A 209 -3.613 0.099 42.515 1.00 0.00 ATOM 1599 CB TRP A 209 -2.613 0.036 43.674 1.00 0.00 ATOM 1600 CG TRP A 209 -1.283 0.608 43.403 1.00 0.00 ATOM 1601 CD1 TRP A 209 -0.931 1.913 43.489 1.00 0.00 ATOM 1602 CD2 TRP A 209 -0.101 -0.119 43.056 1.00 0.00 ATOM 1603 CE2 TRP A 209 0.936 0.827 42.935 1.00 0.00 ATOM 1604 CE3 TRP A 209 0.176 -1.472 42.786 1.00 0.00 ATOM 1605 NE1 TRP A 209 0.395 2.070 43.177 1.00 0.00 ATOM 1606 CZ2 TRP A 209 2.233 0.446 42.589 1.00 0.00 ATOM 1607 CZ3 TRP A 209 1.412 -1.835 42.503 1.00 0.00 ATOM 1608 CH2 TRP A 209 2.453 -0.885 42.371 1.00 0.00 ATOM 1609 O TRP A 209 -4.376 2.269 43.211 1.00 0.00 ATOM 1610 C TRP A 209 -4.063 1.535 42.243 1.00 0.00 ATOM 1611 N GLY A 210 -4.161 1.899 40.966 1.00 0.00 ATOM 1612 CA GLY A 210 -4.541 3.226 40.584 1.00 0.00 ATOM 1613 O GLY A 210 -6.873 2.690 40.500 1.00 0.00 ATOM 1614 C GLY A 210 -5.952 3.368 40.012 1.00 0.00 ATOM 1615 N PHE A 211 -6.106 4.244 39.019 1.00 0.00 ATOM 1616 CA PHE A 211 -7.415 4.683 38.598 1.00 0.00 ATOM 1617 CB PHE A 211 -7.376 6.106 38.071 1.00 0.00 ATOM 1618 CG PHE A 211 -7.046 7.158 39.110 1.00 0.00 ATOM 1619 CD1 PHE A 211 -6.635 6.853 40.387 1.00 0.00 ATOM 1620 CD2 PHE A 211 -7.145 8.495 38.753 1.00 0.00 ATOM 1621 CE1 PHE A 211 -6.314 7.848 41.295 1.00 0.00 ATOM 1622 CE2 PHE A 211 -6.841 9.487 39.638 1.00 0.00 ATOM 1623 CZ PHE A 211 -6.443 9.195 40.911 1.00 0.00 ATOM 1624 O PHE A 211 -9.317 3.942 37.329 1.00 0.00 ATOM 1625 C PHE A 211 -8.096 3.779 37.560 1.00 0.00 ATOM 1626 N ARG A 212 -7.355 2.852 36.910 1.00 0.00 ATOM 1627 CA ARG A 212 -7.958 1.927 35.931 1.00 0.00 ATOM 1628 CB ARG A 212 -7.256 2.045 34.589 1.00 0.00 ATOM 1629 CG ARG A 212 -7.289 3.410 33.900 1.00 0.00 ATOM 1630 CD ARG A 212 -8.696 3.921 33.663 1.00 0.00 ATOM 1631 NE ARG A 212 -8.800 4.960 32.648 1.00 0.00 ATOM 1632 CZ ARG A 212 -9.935 5.614 32.352 1.00 0.00 ATOM 1633 NH1 ARG A 212 -11.059 5.384 33.041 1.00 0.00 ATOM 1634 NH2 ARG A 212 -9.944 6.504 31.350 1.00 0.00 ATOM 1635 O ARG A 212 -6.899 0.100 37.143 1.00 0.00 ATOM 1636 C ARG A 212 -7.851 0.493 36.429 1.00 0.00 ATOM 1637 N SER A 213 -8.814 -0.305 36.006 1.00 0.00 ATOM 1638 CA SER A 213 -8.912 -1.711 36.329 1.00 0.00 ATOM 1639 CB SER A 213 -10.335 -2.207 36.076 1.00 0.00 ATOM 1640 OG SER A 213 -10.572 -2.394 34.684 1.00 0.00 ATOM 1641 O SER A 213 -7.479 -2.131 34.409 1.00 0.00 ATOM 1642 C SER A 213 -7.950 -2.552 35.472 1.00 0.00 ATOM 1643 N VAL A 214 -7.708 -3.774 35.923 1.00 0.00 ATOM 1644 CA VAL A 214 -6.853 -4.681 35.181 1.00 0.00 ATOM 1645 CB VAL A 214 -6.500 -5.934 36.032 1.00 0.00 ATOM 1646 CG1 VAL A 214 -5.876 -7.046 35.162 1.00 0.00 ATOM 1647 CG2 VAL A 214 -5.567 -5.510 37.162 1.00 0.00 ATOM 1648 O VAL A 214 -6.757 -4.963 32.811 1.00 0.00 ATOM 1649 C VAL A 214 -7.464 -5.023 33.815 1.00 0.00 ATOM 1650 N PRO A 215 -8.764 -5.380 33.759 1.00 0.00 ATOM 1651 CA PRO A 215 -9.312 -5.626 32.416 1.00 0.00 ATOM 1652 CB PRO A 215 -10.768 -5.975 32.684 1.00 0.00 ATOM 1653 CG PRO A 215 -10.827 -6.366 34.104 1.00 0.00 ATOM 1654 CD PRO A 215 -9.755 -5.647 34.814 1.00 0.00 ATOM 1655 O PRO A 215 -8.992 -4.577 30.268 1.00 0.00 ATOM 1656 C PRO A 215 -9.229 -4.423 31.466 1.00 0.00 ATOM 1657 N PHE A 216 -9.383 -3.222 32.014 1.00 0.00 ATOM 1658 CA PHE A 216 -9.190 -1.995 31.215 1.00 0.00 ATOM 1659 CB PHE A 216 -9.603 -0.785 32.022 1.00 0.00 ATOM 1660 CG PHE A 216 -9.492 0.513 31.276 1.00 0.00 ATOM 1661 CD1 PHE A 216 -8.270 1.127 31.137 1.00 0.00 ATOM 1662 CD2 PHE A 216 -10.618 1.091 30.691 1.00 0.00 ATOM 1663 CE1 PHE A 216 -8.169 2.327 30.465 1.00 0.00 ATOM 1664 CE2 PHE A 216 -10.536 2.287 29.999 1.00 0.00 ATOM 1665 CZ PHE A 216 -9.288 2.900 29.880 1.00 0.00 ATOM 1666 O PHE A 216 -7.494 -1.639 29.564 1.00 0.00 ATOM 1667 C PHE A 216 -7.751 -1.878 30.734 1.00 0.00 ATOM 1668 N LEU A 217 -6.794 -2.045 31.640 1.00 0.00 ATOM 1669 CA LEU A 217 -5.411 -1.912 31.245 1.00 0.00 ATOM 1670 CB LEU A 217 -4.494 -2.005 32.467 1.00 0.00 ATOM 1671 CG LEU A 217 -4.612 -0.827 33.453 1.00 0.00 ATOM 1672 CD1 LEU A 217 -3.943 -1.156 34.795 1.00 0.00 ATOM 1673 CD2 LEU A 217 -4.018 0.432 32.869 1.00 0.00 ATOM 1674 O LEU A 217 -4.257 -2.600 29.258 1.00 0.00 ATOM 1675 C LEU A 217 -5.006 -2.911 30.182 1.00 0.00 ATOM 1676 N GLN A 218 -5.457 -4.144 30.341 1.00 0.00 ATOM 1677 CA GLN A 218 -5.206 -5.176 29.346 1.00 0.00 ATOM 1678 CB GLN A 218 -5.720 -6.520 29.834 1.00 0.00 ATOM 1679 CG GLN A 218 -4.925 -7.027 31.018 1.00 0.00 ATOM 1680 CD GLN A 218 -5.421 -8.359 31.551 1.00 0.00 ATOM 1681 OE1 GLN A 218 -6.603 -8.531 31.805 1.00 0.00 ATOM 1682 NE2 GLN A 218 -4.504 -9.279 31.762 1.00 0.00 ATOM 1683 O GLN A 218 -5.149 -4.980 26.965 1.00 0.00 ATOM 1684 C GLN A 218 -5.803 -4.817 27.986 1.00 0.00 ATOM 1685 N LYS A 219 -7.047 -4.342 27.976 1.00 0.00 ATOM 1686 CA LYS A 219 -7.716 -3.909 26.757 1.00 0.00 ATOM 1687 CB LYS A 219 -9.118 -3.406 27.119 1.00 0.00 ATOM 1688 CG LYS A 219 -9.949 -2.902 25.958 1.00 0.00 ATOM 1689 CD LYS A 219 -11.374 -2.584 26.405 1.00 0.00 ATOM 1690 CE LYS A 219 -11.410 -1.516 27.523 1.00 0.00 ATOM 1691 O LYS A 219 -6.921 -2.731 24.830 1.00 0.00 ATOM 1692 C LYS A 219 -6.935 -2.810 26.051 1.00 0.00 ATOM 1693 N HIS A 220 -6.289 -1.951 26.841 1.00 0.00 ATOM 1694 CA HIS A 220 -5.584 -0.770 26.334 1.00 0.00 ATOM 1695 CB HIS A 220 -5.893 0.409 27.262 1.00 0.00 ATOM 1696 CG HIS A 220 -7.202 1.039 26.957 1.00 0.00 ATOM 1697 CD2 HIS A 220 -7.522 2.018 26.081 1.00 0.00 ATOM 1698 ND1 HIS A 220 -8.394 0.571 27.466 1.00 0.00 ATOM 1699 CE1 HIS A 220 -9.388 1.293 26.974 1.00 0.00 ATOM 1700 NE2 HIS A 220 -8.883 2.173 26.129 1.00 0.00 ATOM 1701 O HIS A 220 -3.367 0.006 25.914 1.00 0.00 ATOM 1702 C HIS A 220 -4.098 -0.954 26.101 1.00 0.00 ATOM 1703 N GLY A 221 -3.640 -2.187 26.125 1.00 0.00 ATOM 1704 CA GLY A 221 -2.264 -2.505 25.726 1.00 0.00 ATOM 1705 O GLY A 221 0.014 -2.667 26.406 1.00 0.00 ATOM 1706 C GLY A 221 -1.164 -2.667 26.757 1.00 0.00 ATOM 1707 N ALA A 222 -1.517 -2.803 28.032 1.00 0.00 ATOM 1708 CA ALA A 222 -0.538 -3.014 29.065 1.00 0.00 ATOM 1709 CB ALA A 222 -1.182 -2.891 30.413 1.00 0.00 ATOM 1710 O ALA A 222 -0.745 -5.324 28.526 1.00 0.00 ATOM 1711 C ALA A 222 0.012 -4.406 28.887 1.00 0.00 ATOM 1712 N THR A 223 1.311 -4.582 29.094 1.00 0.00 ATOM 1713 CA THR A 223 1.906 -5.911 28.965 1.00 0.00 ATOM 1714 CB THR A 223 2.986 -5.957 27.862 1.00 0.00 ATOM 1715 CG2 THR A 223 2.370 -5.647 26.504 1.00 0.00 ATOM 1716 OG1 THR A 223 4.021 -5.012 28.158 1.00 0.00 ATOM 1717 O THR A 223 2.532 -7.690 30.396 1.00 0.00 ATOM 1718 C THR A 223 2.497 -6.474 30.248 1.00 0.00 ATOM 1719 N VAL A 224 3.030 -5.620 31.110 1.00 0.00 ATOM 1720 CA VAL A 224 3.480 -5.991 32.455 1.00 0.00 ATOM 1721 CB VAL A 224 4.950 -5.637 32.693 1.00 0.00 ATOM 1722 CG1 VAL A 224 5.311 -5.943 34.129 1.00 0.00 ATOM 1723 CG2 VAL A 224 5.853 -6.436 31.730 1.00 0.00 ATOM 1724 O VAL A 224 2.548 -4.002 33.425 1.00 0.00 ATOM 1725 C VAL A 224 2.601 -5.225 33.446 1.00 0.00 ATOM 1726 N ILE A 225 1.865 -5.967 34.276 1.00 0.00 ATOM 1727 CA ILE A 225 0.987 -5.348 35.267 1.00 0.00 ATOM 1728 CB ILE A 225 -0.536 -5.558 34.991 1.00 0.00 ATOM 1729 CG1 ILE A 225 -0.937 -5.046 33.598 1.00 0.00 ATOM 1730 CG2 ILE A 225 -1.389 -4.831 36.048 1.00 0.00 ATOM 1731 CD1 ILE A 225 -2.374 -5.459 33.187 1.00 0.00 ATOM 1732 O ILE A 225 1.413 -7.137 36.786 1.00 0.00 ATOM 1733 C ILE A 225 1.370 -5.914 36.618 1.00 0.00 ATOM 1734 N VAL A 226 1.672 -5.048 37.575 1.00 0.00 ATOM 1735 CA VAL A 226 2.131 -5.490 38.893 1.00 0.00 ATOM 1736 CB VAL A 226 3.555 -4.928 39.189 1.00 0.00 ATOM 1737 CG1 VAL A 226 4.606 -5.436 38.185 1.00 0.00 ATOM 1738 CG2 VAL A 226 3.562 -3.392 39.201 1.00 0.00 ATOM 1739 O VAL A 226 0.400 -4.053 39.732 1.00 0.00 ATOM 1740 C VAL A 226 1.105 -5.050 39.931 1.00 0.00 ATOM 1741 N ASP A 227 1.047 -5.757 41.060 1.00 0.00 ATOM 1742 CA ASP A 227 0.082 -5.376 42.114 1.00 0.00 ATOM 1743 CB ASP A 227 -1.083 -6.376 42.178 1.00 0.00 ATOM 1744 CG ASP A 227 -0.663 -7.754 42.571 1.00 0.00 ATOM 1745 OD1 ASP A 227 0.523 -7.982 42.891 1.00 0.00 ATOM 1746 OD2 ASP A 227 -1.567 -8.625 42.555 1.00 0.00 ATOM 1747 O ASP A 227 -0.071 -4.876 44.452 1.00 0.00 ATOM 1748 C ASP A 227 0.666 -5.124 43.510 1.00 0.00 ATOM 1749 N THR A 228 1.984 -5.171 43.649 1.00 0.00 ATOM 1750 CA THR A 228 2.615 -4.636 44.848 1.00 0.00 ATOM 1751 CB THR A 228 3.053 -5.755 45.817 1.00 0.00 ATOM 1752 CG2 THR A 228 1.931 -6.740 46.059 1.00 0.00 ATOM 1753 OG1 THR A 228 4.158 -6.450 45.249 1.00 0.00 ATOM 1754 O THR A 228 4.414 -4.011 43.431 1.00 0.00 ATOM 1755 C THR A 228 3.831 -3.813 44.496 1.00 0.00 ATOM 1756 N ALA A 229 4.247 -2.944 45.422 1.00 0.00 ATOM 1757 CA ALA A 229 5.498 -2.153 45.286 1.00 0.00 ATOM 1758 CB ALA A 229 5.638 -1.154 46.458 1.00 0.00 ATOM 1759 O ALA A 229 7.658 -2.774 44.385 1.00 0.00 ATOM 1760 C ALA A 229 6.740 -3.083 45.159 1.00 0.00 ATOM 1761 N GLU A 230 6.736 -4.207 45.869 1.00 0.00 ATOM 1762 CA GLU A 230 7.843 -5.170 45.777 1.00 0.00 ATOM 1763 CB GLU A 230 7.686 -6.306 46.777 1.00 0.00 ATOM 1764 CG GLU A 230 8.698 -7.407 46.571 1.00 0.00 ATOM 1765 O GLU A 230 9.016 -5.846 43.820 1.00 0.00 ATOM 1766 C GLU A 230 7.933 -5.747 44.372 1.00 0.00 ATOM 1767 N LYS A 231 6.795 -6.128 43.803 1.00 0.00 ATOM 1768 CA LYS A 231 6.748 -6.643 42.432 1.00 0.00 ATOM 1769 CB LYS A 231 5.389 -7.256 42.116 1.00 0.00 ATOM 1770 CG LYS A 231 5.101 -8.578 42.875 1.00 0.00 ATOM 1771 CD LYS A 231 6.399 -9.426 43.120 1.00 0.00 ATOM 1772 CE LYS A 231 6.219 -10.556 44.157 1.00 0.00 ATOM 1773 NZ LYS A 231 7.424 -10.713 45.061 1.00 0.00 ATOM 1774 O LYS A 231 7.824 -5.883 40.434 1.00 0.00 ATOM 1775 C LYS A 231 7.151 -5.590 41.402 1.00 0.00 ATOM 1776 N LEU A 232 6.793 -4.358 41.669 1.00 0.00 ATOM 1777 CA LEU A 232 7.190 -3.234 40.832 1.00 0.00 ATOM 1778 CB LEU A 232 6.457 -1.945 41.254 1.00 0.00 ATOM 1779 CG LEU A 232 6.870 -0.649 40.576 1.00 0.00 ATOM 1780 CD1 LEU A 232 6.798 -0.809 39.052 1.00 0.00 ATOM 1781 CD2 LEU A 232 5.998 0.507 41.057 1.00 0.00 ATOM 1782 O LEU A 232 9.330 -2.894 39.823 1.00 0.00 ATOM 1783 C LEU A 232 8.697 -3.062 40.890 1.00 0.00 ATOM 1784 N GLU A 233 9.291 -3.162 42.095 1.00 0.00 ATOM 1785 CA GLU A 233 10.765 -3.133 42.212 1.00 0.00 ATOM 1786 CB GLU A 233 11.191 -3.308 43.687 1.00 0.00 ATOM 1787 CG GLU A 233 12.696 -3.138 43.917 1.00 0.00 ATOM 1788 CD GLU A 233 13.121 -3.165 45.376 1.00 0.00 ATOM 1789 OE1 GLU A 233 12.401 -2.626 46.254 1.00 0.00 ATOM 1790 OE2 GLU A 233 14.219 -3.690 45.631 1.00 0.00 ATOM 1791 O GLU A 233 12.376 -4.039 40.596 1.00 0.00 ATOM 1792 C GLU A 233 11.416 -4.255 41.360 1.00 0.00 ATOM 1793 N GLU A 234 10.890 -5.458 41.484 1.00 0.00 ATOM 1794 CA GLU A 234 11.408 -6.581 40.708 1.00 0.00 ATOM 1795 CB GLU A 234 10.713 -7.875 41.134 1.00 0.00 ATOM 1796 CG GLU A 234 11.006 -8.233 42.586 1.00 0.00 ATOM 1797 CD GLU A 234 10.203 -9.416 43.085 1.00 0.00 ATOM 1798 OE1 GLU A 234 9.597 -10.122 42.243 1.00 0.00 ATOM 1799 OE2 GLU A 234 10.192 -9.632 44.318 1.00 0.00 ATOM 1800 O GLU A 234 12.214 -6.672 38.438 1.00 0.00 ATOM 1801 C GLU A 234 11.295 -6.346 39.197 1.00 0.00 ATOM 1802 N ALA A 235 10.185 -5.730 38.769 1.00 0.00 ATOM 1803 CA ALA A 235 9.962 -5.415 37.349 1.00 0.00 ATOM 1804 CB ALA A 235 8.569 -4.907 37.119 1.00 0.00 ATOM 1805 O ALA A 235 11.524 -4.507 35.736 1.00 0.00 ATOM 1806 C ALA A 235 10.981 -4.393 36.863 1.00 0.00 ATOM 1807 N ILE A 236 11.274 -3.403 37.698 1.00 0.00 ATOM 1808 CA ILE A 236 12.204 -2.348 37.294 1.00 0.00 ATOM 1809 CB ILE A 236 12.099 -1.087 38.207 1.00 0.00 ATOM 1810 CG1 ILE A 236 10.762 -0.376 38.003 1.00 0.00 ATOM 1811 CG2 ILE A 236 13.281 -0.117 37.943 1.00 0.00 ATOM 1812 CD1 ILE A 236 10.371 0.577 39.102 1.00 0.00 ATOM 1813 O ILE A 236 14.401 -2.544 36.364 1.00 0.00 ATOM 1814 C ILE A 236 13.628 -2.919 37.244 1.00 0.00 ATOM 1815 N LEU A 237 13.975 -3.831 38.166 1.00 0.00 ATOM 1816 CA LEU A 237 15.332 -4.396 38.279 1.00 0.00 ATOM 1817 CB LEU A 237 15.651 -4.759 39.745 1.00 0.00 ATOM 1818 CG LEU A 237 15.691 -3.569 40.711 1.00 0.00 ATOM 1819 CD1 LEU A 237 15.883 -4.073 42.162 1.00 0.00 ATOM 1820 CD2 LEU A 237 16.744 -2.527 40.313 1.00 0.00 ATOM 1821 O LEU A 237 16.651 -6.044 37.134 1.00 0.00 ATOM 1822 C LEU A 237 15.528 -5.609 37.362 1.00 0.00 ATOM 1823 N GLY A 238 14.434 -6.120 36.806 1.00 0.00 ATOM 1824 CA GLY A 238 14.454 -7.325 35.980 1.00 0.00 ATOM 1825 O GLY A 238 15.094 -9.633 36.165 1.00 0.00 ATOM 1826 C GLY A 238 14.707 -8.604 36.752 1.00 0.00 ATOM 1827 N GLU A 239 14.504 -8.553 38.065 1.00 0.00 ATOM 1828 CA GLU A 239 14.629 -9.729 38.907 1.00 0.00 ATOM 1829 CB GLU A 239 15.188 -9.366 40.304 1.00 0.00 ATOM 1830 CG GLU A 239 14.590 -8.159 40.995 1.00 0.00 ATOM 1831 O GLU A 239 13.179 -11.672 39.300 1.00 0.00 ATOM 1832 C GLU A 239 13.271 -10.477 38.963 1.00 0.00 ENDMDL # command:# Prefix for output files set to decoys/ # command:# request to SCWRL produces command: ulimit -t 216 ; scwrl3 -i /var/tmp/to_scwrl_1103454350.pdb -s /var/tmp/to_scwrl_1103454350.seq -o /var/tmp/from_scwrl_1103454350.pdb > /var/tmp/scwrl_1103454350.log sh: /var/tmp/scwrl_1103454350.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1103454350.pdb or /var/tmp/from_scwrl_1103454350.pdb.gz for input Warning: Couldn't open file /var/tmp/from_scwrl_1103454350_b.pdb or /var/tmp/from_scwrl_1103454350_b.pdb.gz for input Trying /var/tmp/from_scwrl_1103454350_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1103454350_b.pdb or /var/tmp/from_scwrl_1103454350_b.pdb.gz for input Warning: Couldn't open file /var/tmp/from_scwrl_1103454350_a.pdb or /var/tmp/from_scwrl_1103454350_a.pdb.gz for input Trying /var/tmp/from_scwrl_1103454350_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1103454350_a.pdb or /var/tmp/from_scwrl_1103454350_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1103454350.pdb or /var/tmp/from_scwrl_1103454350_b.pdb or /var/tmp/from_scwrl_1103454350_a.pdb Error: no new SCWRL conformation added # command:# naming current conformation model1-scwrl # command:# ReadConformPDB reading from PDB file model2.ts-submitted looking for model 1 # Found a chain break before 229 # 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 = -64.017 # GDT_score(maxd=8.000,maxw=2.900)= -65.925 # GDT_score(maxd=8.000,maxw=3.200)= -62.640 # GDT_score(maxd=8.000,maxw=3.500)= -59.480 # GDT_score(maxd=10.000,maxw=3.800)= -62.455 # GDT_score(maxd=10.000,maxw=4.000)= -60.450 # GDT_score(maxd=10.000,maxw=4.200)= -58.486 # GDT_score(maxd=12.000,maxw=4.300)= -62.149 # GDT_score(maxd=12.000,maxw=4.500)= -60.220 # GDT_score(maxd=12.000,maxw=4.700)= -58.377 # GDT_score(maxd=14.000,maxw=5.200)= -57.571 # GDT_score(maxd=14.000,maxw=5.500)= -55.006 # command:# request to SCWRL produces command: ulimit -t 216 ; scwrl3 -i /var/tmp/to_scwrl_1920899125.pdb -s /var/tmp/to_scwrl_1920899125.seq -o /var/tmp/from_scwrl_1920899125.pdb > /var/tmp/scwrl_1920899125.log sh: /var/tmp/scwrl_1920899125.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1920899125.pdb or /var/tmp/from_scwrl_1920899125.pdb.gz for input Warning: Couldn't open file /var/tmp/from_scwrl_1920899125_b.pdb or /var/tmp/from_scwrl_1920899125_b.pdb.gz for input Trying /var/tmp/from_scwrl_1920899125_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1920899125_b.pdb or /var/tmp/from_scwrl_1920899125_b.pdb.gz for input Warning: Couldn't open file /var/tmp/from_scwrl_1920899125_a.pdb or /var/tmp/from_scwrl_1920899125_a.pdb.gz for input Trying /var/tmp/from_scwrl_1920899125_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1920899125_a.pdb or /var/tmp/from_scwrl_1920899125_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1920899125.pdb or /var/tmp/from_scwrl_1920899125_b.pdb or /var/tmp/from_scwrl_1920899125_a.pdb Error: no new SCWRL conformation added # command:# naming current conformation model2-scwrl # command:# ReadConformPDB reading from PDB file model3.ts-submitted looking for model 1 # Found a chain break before 223 # 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 = -64.121 # GDT_score(maxd=8.000,maxw=2.900)= -66.261 # GDT_score(maxd=8.000,maxw=3.200)= -63.024 # GDT_score(maxd=8.000,maxw=3.500)= -59.774 # GDT_score(maxd=10.000,maxw=3.800)= -62.739 # GDT_score(maxd=10.000,maxw=4.000)= -60.623 # GDT_score(maxd=10.000,maxw=4.200)= -58.582 # GDT_score(maxd=12.000,maxw=4.300)= -62.301 # GDT_score(maxd=12.000,maxw=4.500)= -60.304 # GDT_score(maxd=12.000,maxw=4.700)= -58.378 # GDT_score(maxd=14.000,maxw=5.200)= -57.506 # GDT_score(maxd=14.000,maxw=5.500)= -54.888 # command:# request to SCWRL produces command: ulimit -t 216 ; scwrl3 -i /var/tmp/to_scwrl_1074879746.pdb -s /var/tmp/to_scwrl_1074879746.seq -o /var/tmp/from_scwrl_1074879746.pdb > /var/tmp/scwrl_1074879746.log sh: /var/tmp/scwrl_1074879746.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1074879746.pdb or /var/tmp/from_scwrl_1074879746.pdb.gz for input Warning: Couldn't open file /var/tmp/from_scwrl_1074879746_b.pdb or /var/tmp/from_scwrl_1074879746_b.pdb.gz for input Trying /var/tmp/from_scwrl_1074879746_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1074879746_b.pdb or /var/tmp/from_scwrl_1074879746_b.pdb.gz for input Warning: Couldn't open file /var/tmp/from_scwrl_1074879746_a.pdb or /var/tmp/from_scwrl_1074879746_a.pdb.gz for input Trying /var/tmp/from_scwrl_1074879746_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1074879746_a.pdb or /var/tmp/from_scwrl_1074879746_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1074879746.pdb or /var/tmp/from_scwrl_1074879746_b.pdb or /var/tmp/from_scwrl_1074879746_a.pdb Error: no new SCWRL conformation added # command:# naming current conformation model3-scwrl # command:# ReadConformPDB reading from PDB file model4.ts-submitted looking for model 1 # WARNING: incomplete conformation T0329 can't currently be optimized by undertaker # command:Warning: Couldn't open file decoys/model4.gdt for output # fraction of real conformation used = 0.824 # GDT_score = -64.435 # GDT_score(maxd=8.000,maxw=2.900)= -68.803 # GDT_score(maxd=8.000,maxw=3.200)= -65.395 # GDT_score(maxd=8.000,maxw=3.500)= -61.890 # GDT_score(maxd=10.000,maxw=3.800)= -63.862 # GDT_score(maxd=10.000,maxw=4.000)= -61.691 # GDT_score(maxd=10.000,maxw=4.200)= -59.569 # GDT_score(maxd=12.000,maxw=4.300)= -62.585 # GDT_score(maxd=12.000,maxw=4.500)= -60.542 # GDT_score(maxd=12.000,maxw=4.700)= -58.538 # GDT_score(maxd=14.000,maxw=5.200)= -56.936 # GDT_score(maxd=14.000,maxw=5.500)= -54.244 # command:# request to SCWRL produces command: ulimit -t 216 ; scwrl3 -i /var/tmp/to_scwrl_602140116.pdb -s /var/tmp/to_scwrl_602140116.seq -o /var/tmp/from_scwrl_602140116.pdb > /var/tmp/scwrl_602140116.log sh: /var/tmp/scwrl_602140116.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_602140116.pdb or /var/tmp/from_scwrl_602140116.pdb.gz for input Warning: Couldn't open file /var/tmp/from_scwrl_602140116_b.pdb or /var/tmp/from_scwrl_602140116_b.pdb.gz for input Trying /var/tmp/from_scwrl_602140116_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_602140116_b.pdb or /var/tmp/from_scwrl_602140116_b.pdb.gz for input Warning: Couldn't open file /var/tmp/from_scwrl_602140116_a.pdb or /var/tmp/from_scwrl_602140116_a.pdb.gz for input Trying /var/tmp/from_scwrl_602140116_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_602140116_a.pdb or /var/tmp/from_scwrl_602140116_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_602140116.pdb or /var/tmp/from_scwrl_602140116_b.pdb or /var/tmp/from_scwrl_602140116_a.pdb Error: no new SCWRL conformation added # command:# naming current conformation model4-scwrl # command:# ReadConformPDB reading from PDB file model5.ts-submitted looking for model 1 # WARNING: incomplete conformation T0329 can't currently be optimized by undertaker # command:Warning: Couldn't open file decoys/model5.gdt for output # fraction of real conformation used = 0.946 # GDT_score = -62.238 # GDT_score(maxd=8.000,maxw=2.900)= -65.548 # GDT_score(maxd=8.000,maxw=3.200)= -62.201 # GDT_score(maxd=8.000,maxw=3.500)= -58.852 # GDT_score(maxd=10.000,maxw=3.800)= -61.416 # GDT_score(maxd=10.000,maxw=4.000)= -59.296 # GDT_score(maxd=10.000,maxw=4.200)= -57.252 # GDT_score(maxd=12.000,maxw=4.300)= -60.647 # GDT_score(maxd=12.000,maxw=4.500)= -58.656 # GDT_score(maxd=12.000,maxw=4.700)= -56.765 # GDT_score(maxd=14.000,maxw=5.200)= -55.727 # GDT_score(maxd=14.000,maxw=5.500)= -53.195 # command:# request to SCWRL produces command: ulimit -t 216 ; scwrl3 -i /var/tmp/to_scwrl_634279842.pdb -s /var/tmp/to_scwrl_634279842.seq -o /var/tmp/from_scwrl_634279842.pdb > /var/tmp/scwrl_634279842.log sh: /var/tmp/scwrl_634279842.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_634279842.pdb or /var/tmp/from_scwrl_634279842.pdb.gz for input Warning: Couldn't open file /var/tmp/from_scwrl_634279842_b.pdb or /var/tmp/from_scwrl_634279842_b.pdb.gz for input Trying /var/tmp/from_scwrl_634279842_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_634279842_b.pdb or /var/tmp/from_scwrl_634279842_b.pdb.gz for input Warning: Couldn't open file /var/tmp/from_scwrl_634279842_a.pdb or /var/tmp/from_scwrl_634279842_a.pdb.gz for input Trying /var/tmp/from_scwrl_634279842_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_634279842_a.pdb or /var/tmp/from_scwrl_634279842_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_634279842.pdb or /var/tmp/from_scwrl_634279842_b.pdb or /var/tmp/from_scwrl_634279842_a.pdb Error: no new SCWRL conformation added # command:# naming current conformation model5-scwrl # command:# Prefix for input files set to decoys/ # command:Warning: Couldn't open file decoys/T0329.try1-opt2.pdb or decoys/T0329.try1-opt2.pdb.gz for input Trying T0329.try1-opt2.pdb Error: Couldn't open file T0329.try1-opt2.pdb or T0329.try1-opt2.pdb.gz for input Error: can't open file T0329.try1-opt2.pdb in ReadConformPDB # command:Warning: Couldn't open file decoys/try1.gdt for output # fraction of real conformation used = 0.946 # GDT_score = -62.238 # GDT_score(maxd=8.000,maxw=2.900)= -65.548 # GDT_score(maxd=8.000,maxw=3.200)= -62.201 # GDT_score(maxd=8.000,maxw=3.500)= -58.852 # GDT_score(maxd=10.000,maxw=3.800)= -61.416 # GDT_score(maxd=10.000,maxw=4.000)= -59.296 # GDT_score(maxd=10.000,maxw=4.200)= -57.252 # GDT_score(maxd=12.000,maxw=4.300)= -60.647 # GDT_score(maxd=12.000,maxw=4.500)= -58.656 # GDT_score(maxd=12.000,maxw=4.700)= -56.765 # GDT_score(maxd=14.000,maxw=5.200)= -55.727 # GDT_score(maxd=14.000,maxw=5.500)= -53.195 # command:# Prefix for output files set to # command:Warning: Couldn't open file T0329.try1-real.pdb for output Error: Couldn't open file T0329.try1-real.pdb for output superimposing iter= 0 total_weight= 2634.000 rmsd (weighted)= 6.709 (unweighted)= 19.325 superimposing iter= 1 total_weight= 9935.804 rmsd (weighted)= 2.227 (unweighted)= 19.299 superimposing iter= 2 total_weight= 4059.456 rmsd (weighted)= 1.417 (unweighted)= 19.288 superimposing iter= 3 total_weight= 2260.216 rmsd (weighted)= 1.229 (unweighted)= 19.285 superimposing iter= 4 total_weight= 1847.907 rmsd (weighted)= 1.182 (unweighted)= 19.283 superimposing iter= 5 total_weight= 1755.206 rmsd (weighted)= 1.168 (unweighted)= 19.282 EXPDTA model5-scwrl MODEL 1 REMARK 44 REMARK 44 model 1 is called model5-scwrl ATOM 1 N TYR 3 18.251 -0.949 32.230 1.00 0.00 ATOM 2 CA TYR 3 17.342 0.127 32.584 1.00 0.00 ATOM 3 CB TYR 3 16.126 -0.424 33.331 1.00 0.00 ATOM 4 CG TYR 3 15.197 -1.245 32.466 1.00 0.00 ATOM 5 CD1 TYR 3 15.225 -2.633 32.509 1.00 0.00 ATOM 6 CD2 TYR 3 14.294 -0.629 31.608 1.00 0.00 ATOM 7 CE1 TYR 3 14.379 -3.391 31.722 1.00 0.00 ATOM 8 CE2 TYR 3 13.440 -1.372 30.813 1.00 0.00 ATOM 9 CZ TYR 3 13.491 -2.764 30.878 1.00 0.00 ATOM 10 OH TYR 3 12.648 -3.517 30.092 1.00 0.00 ATOM 11 O TYR 3 18.646 0.670 34.542 1.00 0.00 ATOM 12 C TYR 3 18.156 1.066 33.478 1.00 0.00 ATOM 13 N LYS 4 18.353 2.289 33.009 1.00 0.00 ATOM 14 CA LYS 4 19.125 3.275 33.750 1.00 0.00 ATOM 15 CB LYS 4 19.991 4.102 32.797 1.00 0.00 ATOM 16 CG LYS 4 21.042 3.293 32.054 1.00 0.00 ATOM 17 CD LYS 4 21.911 4.186 31.182 1.00 0.00 ATOM 18 CE LYS 4 22.993 3.383 30.476 1.00 0.00 ATOM 19 NZ LYS 4 23.829 4.239 29.589 1.00 0.00 ATOM 20 O LYS 4 18.717 4.924 35.433 1.00 0.00 ATOM 21 C LYS 4 18.248 4.244 34.520 1.00 0.00 ATOM 22 N ALA 5 16.971 4.314 34.147 1.00 0.00 ATOM 23 CA ALA 5 16.030 5.205 34.821 1.00 0.00 ATOM 24 CB ALA 5 16.048 6.582 34.176 1.00 0.00 ATOM 25 O ALA 5 14.187 3.956 33.887 1.00 0.00 ATOM 26 C ALA 5 14.583 4.716 34.777 1.00 0.00 ATOM 27 N ALA 6 13.822 5.110 35.794 1.00 0.00 ATOM 28 CA ALA 6 12.402 4.781 35.884 1.00 0.00 ATOM 29 CB ALA 6 12.134 3.918 37.108 1.00 0.00 ATOM 30 O ALA 6 12.101 6.998 36.732 1.00 0.00 ATOM 31 C ALA 6 11.671 6.119 35.994 1.00 0.00 ATOM 32 N ILE 7 10.636 6.318 35.186 1.00 0.00 ATOM 33 CA ILE 7 9.870 7.565 35.253 1.00 0.00 ATOM 34 CB ILE 7 9.623 8.151 33.849 1.00 0.00 ATOM 35 CG1 ILE 7 10.952 8.446 33.152 1.00 0.00 ATOM 36 CG2 ILE 7 8.833 9.447 33.946 1.00 0.00 ATOM 37 CD1 ILE 7 10.806 8.829 31.695 1.00 0.00 ATOM 38 O ILE 7 7.725 6.492 35.387 1.00 0.00 ATOM 39 C ILE 7 8.524 7.256 35.917 1.00 0.00 ATOM 40 N PHE 8 8.299 7.824 37.093 1.00 0.00 ATOM 41 CA PHE 8 7.073 7.577 37.835 1.00 0.00 ATOM 42 CB PHE 8 7.364 7.487 39.335 1.00 0.00 ATOM 43 CG PHE 8 8.178 6.285 39.722 1.00 0.00 ATOM 44 CD1 PHE 8 9.554 6.376 39.853 1.00 0.00 ATOM 45 CD2 PHE 8 7.570 5.065 39.956 1.00 0.00 ATOM 46 CE1 PHE 8 10.301 5.270 40.209 1.00 0.00 ATOM 47 CE2 PHE 8 8.320 3.959 40.313 1.00 0.00 ATOM 48 CZ PHE 8 9.680 4.058 40.439 1.00 0.00 ATOM 49 O PHE 8 6.296 9.818 37.625 1.00 0.00 ATOM 50 C PHE 8 6.009 8.630 37.685 1.00 0.00 ATOM 51 N ASP 9 4.763 8.175 37.657 1.00 0.00 ATOM 52 CA ASP 9 3.623 9.073 37.637 1.00 0.00 ATOM 53 CB ASP 9 2.367 8.334 37.172 1.00 0.00 ATOM 54 CG ASP 9 1.318 9.268 36.603 1.00 0.00 ATOM 55 OD1 ASP 9 1.544 10.497 36.623 1.00 0.00 ATOM 56 OD2 ASP 9 0.270 8.773 36.135 1.00 0.00 ATOM 57 O ASP 9 4.279 9.014 39.965 1.00 0.00 ATOM 58 C ASP 9 3.539 9.518 39.111 1.00 0.00 ATOM 59 N MET 10 2.672 10.474 39.417 1.00 0.00 ATOM 60 CA MET 10 2.534 10.904 40.800 1.00 0.00 ATOM 61 CB MET 10 2.497 12.432 40.885 1.00 0.00 ATOM 62 CG MET 10 3.798 13.107 40.482 1.00 0.00 ATOM 63 SD MET 10 3.722 14.903 40.623 1.00 0.00 ATOM 64 CE MET 10 5.344 15.359 40.015 1.00 0.00 ATOM 65 O MET 10 1.284 9.330 42.092 1.00 0.00 ATOM 66 C MET 10 1.258 10.386 41.460 1.00 0.00 ATOM 67 N ASP 11 0.150 11.113 41.310 1.00 0.00 ATOM 68 CA ASP 11 -1.126 10.701 41.903 1.00 0.00 ATOM 69 CB ASP 11 -2.251 11.634 41.451 1.00 0.00 ATOM 70 CG ASP 11 -3.559 11.357 42.166 1.00 0.00 ATOM 71 OD1 ASP 11 -3.613 10.388 42.951 1.00 0.00 ATOM 72 OD2 ASP 11 -4.530 12.109 41.939 1.00 0.00 ATOM 73 O ASP 11 -1.253 8.924 40.307 1.00 0.00 ATOM 74 C ASP 11 -1.449 9.277 41.458 1.00 0.00 ATOM 75 N GLY 12 -1.874 8.446 42.399 1.00 0.00 ATOM 76 CA GLY 12 -2.199 7.063 42.086 1.00 0.00 ATOM 77 O GLY 12 -1.239 4.978 41.438 1.00 0.00 ATOM 78 C GLY 12 -1.020 6.143 41.787 1.00 0.00 ATOM 79 N THR 13 0.210 6.656 41.891 1.00 0.00 ATOM 80 CA THR 13 1.403 5.851 41.629 1.00 0.00 ATOM 81 CB THR 13 2.101 6.282 40.325 1.00 0.00 ATOM 82 CG2 THR 13 3.308 5.400 40.049 1.00 0.00 ATOM 83 OG1 THR 13 1.183 6.171 39.228 1.00 0.00 ATOM 84 O THR 13 2.934 4.938 43.228 1.00 0.00 ATOM 85 C THR 13 2.445 5.963 42.746 1.00 0.00 ATOM 86 N ILE 14 2.780 7.188 43.163 1.00 0.00 ATOM 87 CA ILE 14 3.739 7.371 44.262 1.00 0.00 ATOM 88 CB ILE 14 4.880 8.324 43.860 1.00 0.00 ATOM 89 CG1 ILE 14 5.611 7.792 42.625 1.00 0.00 ATOM 90 CG2 ILE 14 5.886 8.458 44.994 1.00 0.00 ATOM 91 CD1 ILE 14 6.238 6.431 42.827 1.00 0.00 ATOM 92 O ILE 14 3.473 7.669 46.612 1.00 0.00 ATOM 93 C ILE 14 3.067 7.958 45.489 1.00 0.00 ATOM 94 N LEU 15 2.050 8.791 45.264 1.00 0.00 ATOM 95 CA LEU 15 1.287 9.424 46.340 1.00 0.00 ATOM 96 CB LEU 15 1.637 10.910 46.439 1.00 0.00 ATOM 97 CG LEU 15 1.451 11.738 45.166 1.00 0.00 ATOM 98 CD1 LEU 15 -0.014 12.084 44.959 1.00 0.00 ATOM 99 CD2 LEU 15 2.240 13.035 45.247 1.00 0.00 ATOM 100 O LEU 15 -0.623 8.943 44.967 1.00 0.00 ATOM 101 C LEU 15 -0.215 9.293 46.075 1.00 0.00 ATOM 102 N ASP 16 -1.028 9.529 47.108 1.00 0.00 ATOM 103 CA ASP 16 -2.491 9.488 46.997 1.00 0.00 ATOM 104 CB ASP 16 -2.982 10.519 45.977 1.00 0.00 ATOM 105 CG ASP 16 -4.465 10.797 46.098 1.00 0.00 ATOM 106 OD1 ASP 16 -5.070 10.376 47.105 1.00 0.00 ATOM 107 OD2 ASP 16 -5.026 11.438 45.183 1.00 0.00 ATOM 108 O ASP 16 -3.357 7.933 45.369 1.00 0.00 ATOM 109 C ASP 16 -3.034 8.123 46.544 1.00 0.00 ATOM 110 N THR 17 -5.268 5.497 45.409 1.00 0.00 ATOM 111 CA THR 17 -6.567 5.534 44.761 1.00 0.00 ATOM 112 CB THR 17 -7.712 5.377 45.780 1.00 0.00 ATOM 113 CG2 THR 17 -7.615 4.033 46.484 1.00 0.00 ATOM 114 OG1 THR 17 -7.629 6.421 46.759 1.00 0.00 ATOM 115 O THR 17 -7.938 6.965 43.442 1.00 0.00 ATOM 116 C THR 17 -6.857 6.820 44.010 1.00 0.00 ATOM 117 N SER 18 -5.897 7.744 44.003 1.00 0.00 ATOM 118 CA SER 18 -6.036 9.041 43.329 1.00 0.00 ATOM 119 CB SER 18 -5.972 8.866 41.810 1.00 0.00 ATOM 120 OG SER 18 -4.726 8.321 41.411 1.00 0.00 ATOM 121 O SER 18 -8.133 10.042 42.766 1.00 0.00 ATOM 122 C SER 18 -7.365 9.724 43.660 1.00 0.00 ATOM 123 N ALA 19 -7.629 9.953 44.944 1.00 0.00 ATOM 124 CA ALA 19 -8.881 10.576 45.384 1.00 0.00 ATOM 125 CB ALA 19 -9.200 10.172 46.815 1.00 0.00 ATOM 126 O ALA 19 -10.038 12.662 45.248 1.00 0.00 ATOM 127 C ALA 19 -8.952 12.098 45.386 1.00 0.00 ATOM 128 N ASP 20 -7.803 12.763 45.506 1.00 0.00 ATOM 129 CA ASP 20 -7.762 14.225 45.525 1.00 0.00 ATOM 130 CB ASP 20 -6.332 14.723 45.316 1.00 0.00 ATOM 131 CG ASP 20 -6.218 16.232 45.424 1.00 0.00 ATOM 132 OD1 ASP 20 -6.538 16.776 46.501 1.00 0.00 ATOM 133 OD2 ASP 20 -5.810 16.869 44.430 1.00 0.00 ATOM 134 O ASP 20 -9.470 15.741 44.759 1.00 0.00 ATOM 135 C ASP 20 -8.618 14.906 44.443 1.00 0.00 ATOM 136 N LEU 21 -8.427 14.537 43.163 1.00 0.00 ATOM 137 CA LEU 21 -9.220 15.166 42.102 1.00 0.00 ATOM 138 CB LEU 21 -8.472 15.110 40.769 1.00 0.00 ATOM 139 CG LEU 21 -7.145 15.868 40.705 1.00 0.00 ATOM 140 CD1 LEU 21 -6.464 15.646 39.361 1.00 0.00 ATOM 141 CD2 LEU 21 -7.370 17.362 40.882 1.00 0.00 ATOM 142 O LEU 21 -11.386 15.175 41.086 1.00 0.00 ATOM 143 C LEU 21 -10.601 14.561 41.805 1.00 0.00 ATOM 144 N THR 22 -10.915 13.393 42.370 1.00 0.00 ATOM 145 CA THR 22 -12.204 12.757 42.113 1.00 0.00 ATOM 146 CB THR 22 -12.343 11.432 42.883 1.00 0.00 ATOM 147 CG2 THR 22 -13.704 10.804 42.623 1.00 0.00 ATOM 148 OG1 THR 22 -11.322 10.521 42.460 1.00 0.00 ATOM 149 O THR 22 -14.208 13.971 41.631 1.00 0.00 ATOM 150 C THR 22 -13.428 13.584 42.503 1.00 0.00 ATOM 151 N SER 23 -13.610 13.856 43.795 1.00 0.00 ATOM 152 CA SER 23 -14.776 14.638 44.226 1.00 0.00 ATOM 153 CB SER 23 -14.832 14.722 45.752 1.00 0.00 ATOM 154 OG SER 23 -13.738 15.466 46.262 1.00 0.00 ATOM 155 O SER 23 -15.854 16.676 43.601 1.00 0.00 ATOM 156 C SER 23 -14.786 16.071 43.712 1.00 0.00 ATOM 157 N ALA 24 -13.610 16.612 43.392 1.00 0.00 ATOM 158 CA ALA 24 -13.524 17.978 42.879 1.00 0.00 ATOM 159 CB ALA 24 -12.074 18.427 42.807 1.00 0.00 ATOM 160 O ALA 24 -14.863 18.933 41.124 1.00 0.00 ATOM 161 C ALA 24 -14.138 18.004 41.478 1.00 0.00 ATOM 162 N LEU 25 -13.851 16.966 40.697 1.00 0.00 ATOM 163 CA LEU 25 -14.393 16.859 39.352 1.00 0.00 ATOM 164 CB LEU 25 -13.837 15.621 38.647 1.00 0.00 ATOM 165 CG LEU 25 -12.352 15.661 38.278 1.00 0.00 ATOM 166 CD1 LEU 25 -11.892 14.312 37.752 1.00 0.00 ATOM 167 CD2 LEU 25 -12.097 16.703 37.198 1.00 0.00 ATOM 168 O LEU 25 -16.619 17.389 38.621 1.00 0.00 ATOM 169 C LEU 25 -15.913 16.745 39.400 1.00 0.00 ATOM 170 N ASN 26 -16.415 15.955 40.342 1.00 0.00 ATOM 171 CA ASN 26 -17.852 15.779 40.488 1.00 0.00 ATOM 172 CB ASN 26 -18.155 14.631 41.454 1.00 0.00 ATOM 173 CG ASN 26 -17.860 13.271 40.854 1.00 0.00 ATOM 174 ND2 ASN 26 -17.675 12.274 41.713 1.00 0.00 ATOM 175 OD1 ASN 26 -17.799 13.119 39.634 1.00 0.00 ATOM 176 O ASN 26 -19.595 17.430 40.568 1.00 0.00 ATOM 177 C ASN 26 -18.524 17.037 41.032 1.00 0.00 ATOM 178 N TYR 27 -17.858 17.692 41.977 1.00 0.00 ATOM 179 CA TYR 27 -18.357 18.920 42.591 1.00 0.00 ATOM 180 CB TYR 27 -17.338 19.470 43.591 1.00 0.00 ATOM 181 CG TYR 27 -17.760 20.768 44.243 1.00 0.00 ATOM 182 CD1 TYR 27 -18.660 20.770 45.300 1.00 0.00 ATOM 183 CD2 TYR 27 -17.255 21.983 43.802 1.00 0.00 ATOM 184 CE1 TYR 27 -19.052 21.950 45.904 1.00 0.00 ATOM 185 CE2 TYR 27 -17.636 23.174 44.393 1.00 0.00 ATOM 186 CZ TYR 27 -18.542 23.148 45.451 1.00 0.00 ATOM 187 OH TYR 27 -18.930 24.324 46.051 1.00 0.00 ATOM 188 O TYR 27 -19.723 20.619 41.568 1.00 0.00 ATOM 189 C TYR 27 -18.635 20.032 41.568 1.00 0.00 ATOM 190 N ALA 28 -17.680 20.290 40.676 1.00 0.00 ATOM 191 CA ALA 28 -17.841 21.350 39.675 1.00 0.00 ATOM 192 CB ALA 28 -16.562 21.520 38.870 1.00 0.00 ATOM 193 O ALA 28 -19.546 22.078 38.148 1.00 0.00 ATOM 194 C ALA 28 -18.955 21.120 38.650 1.00 0.00 ATOM 195 N PHE 29 -19.241 19.859 38.335 1.00 0.00 ATOM 196 CA PHE 29 -20.302 19.538 37.383 1.00 0.00 ATOM 197 CB PHE 29 -20.043 18.179 36.729 1.00 0.00 ATOM 198 CG PHE 29 -18.842 18.160 35.826 1.00 0.00 ATOM 199 CD1 PHE 29 -17.630 17.666 36.275 1.00 0.00 ATOM 200 CD2 PHE 29 -18.924 18.637 34.530 1.00 0.00 ATOM 201 CE1 PHE 29 -16.524 17.648 35.445 1.00 0.00 ATOM 202 CE2 PHE 29 -17.820 18.618 33.701 1.00 0.00 ATOM 203 CZ PHE 29 -16.624 18.127 34.152 1.00 0.00 ATOM 204 O PHE 29 -22.683 19.821 37.449 1.00 0.00 ATOM 205 C PHE 29 -21.670 19.476 38.054 1.00 0.00 ATOM 206 N GLU 30 -21.676 19.061 39.318 1.00 0.00 ATOM 207 CA GLU 30 -22.891 18.945 40.116 1.00 0.00 ATOM 208 CB GLU 30 -22.555 18.514 41.545 1.00 0.00 ATOM 209 CG GLU 30 -23.771 18.306 42.433 1.00 0.00 ATOM 210 CD GLU 30 -23.403 17.825 43.823 1.00 0.00 ATOM 211 OE1 GLU 30 -22.195 17.636 44.084 1.00 0.00 ATOM 212 OE2 GLU 30 -24.320 17.637 44.649 1.00 0.00 ATOM 213 O GLU 30 -24.905 20.265 40.190 1.00 0.00 ATOM 214 C GLU 30 -23.671 20.261 40.211 1.00 0.00 ATOM 215 N GLN 31 -22.943 21.371 40.306 1.00 0.00 ATOM 216 CA GLN 31 -23.547 22.696 40.396 1.00 0.00 ATOM 217 CB GLN 31 -22.466 23.767 40.556 1.00 0.00 ATOM 218 CG GLN 31 -21.773 23.755 41.907 1.00 0.00 ATOM 219 CD GLN 31 -20.636 24.752 41.987 1.00 0.00 ATOM 220 OE1 GLN 31 -20.295 25.403 40.998 1.00 0.00 ATOM 221 NE2 GLN 31 -20.040 24.876 43.170 1.00 0.00 ATOM 222 O GLN 31 -25.440 23.645 39.279 1.00 0.00 ATOM 223 C GLN 31 -24.364 23.062 39.162 1.00 0.00 ATOM 224 N THR 32 -23.853 22.728 37.982 1.00 0.00 ATOM 225 CA THR 32 -24.545 23.044 36.733 1.00 0.00 ATOM 226 CB THR 32 -23.627 22.842 35.514 1.00 0.00 ATOM 227 CG2 THR 32 -22.420 23.763 35.597 1.00 0.00 ATOM 228 OG1 THR 32 -23.171 21.484 35.475 1.00 0.00 ATOM 229 O THR 32 -26.519 22.333 35.562 1.00 0.00 ATOM 230 C THR 32 -25.770 22.159 36.530 1.00 0.00 ATOM 231 N GLY 33 -25.970 21.215 37.449 1.00 0.00 ATOM 232 CA GLY 33 -27.090 20.294 37.351 1.00 0.00 ATOM 233 O GLY 33 -27.438 18.012 36.673 1.00 0.00 ATOM 234 C GLY 33 -26.694 19.001 36.656 1.00 0.00 ATOM 235 N HIS 34 -25.506 19.010 36.050 1.00 0.00 ATOM 236 CA HIS 34 -24.982 17.853 35.343 1.00 0.00 ATOM 237 CB HIS 34 -24.081 18.294 34.187 1.00 0.00 ATOM 238 CG HIS 34 -24.810 19.018 33.098 1.00 0.00 ATOM 239 CD2 HIS 34 -24.887 20.396 32.637 1.00 0.00 ATOM 240 ND1 HIS 34 -25.658 18.379 32.218 1.00 0.00 ATOM 241 CE1 HIS 34 -26.160 19.284 31.359 1.00 0.00 ATOM 242 NE2 HIS 34 -25.701 20.497 31.605 1.00 0.00 ATOM 243 O HIS 34 -22.962 17.180 36.436 1.00 0.00 ATOM 244 C HIS 34 -24.163 16.976 36.274 1.00 0.00 ATOM 245 N ARG 35 -24.809 16.005 36.901 1.00 0.00 ATOM 246 CA ARG 35 -24.088 15.123 37.801 1.00 0.00 ATOM 247 CB ARG 35 -25.039 14.523 38.839 1.00 0.00 ATOM 248 CG ARG 35 -24.352 13.655 39.882 1.00 0.00 ATOM 249 CD ARG 35 -25.350 13.112 40.890 1.00 0.00 ATOM 250 NE ARG 35 -24.703 12.288 41.910 1.00 0.00 ATOM 251 CZ ARG 35 -25.356 11.571 42.816 1.00 0.00 ATOM 252 NH1 ARG 35 -24.686 10.851 43.706 1.00 0.00 ATOM 253 NH2 ARG 35 -26.684 11.570 42.831 1.00 0.00 ATOM 254 O ARG 35 -24.126 13.300 36.241 1.00 0.00 ATOM 255 C ARG 35 -23.451 13.994 37.001 1.00 0.00 ATOM 256 N PHE 38 -22.140 13.854 37.129 1.00 0.00 ATOM 257 CA PHE 38 -21.411 12.813 36.420 1.00 0.00 ATOM 258 CB PHE 38 -20.094 13.362 35.868 1.00 0.00 ATOM 259 CG PHE 38 -20.272 14.395 34.792 1.00 0.00 ATOM 260 CD1 PHE 38 -21.501 14.576 34.182 1.00 0.00 ATOM 261 CD2 PHE 38 -19.209 15.183 34.388 1.00 0.00 ATOM 262 CE1 PHE 38 -21.664 15.526 33.192 1.00 0.00 ATOM 263 CE2 PHE 38 -19.372 16.134 33.397 1.00 0.00 ATOM 264 CZ PHE 38 -20.592 16.306 32.801 1.00 0.00 ATOM 265 O PHE 38 -21.245 11.825 38.595 1.00 0.00 ATOM 266 C PHE 38 -21.111 11.668 37.379 1.00 0.00 ATOM 267 N THR 39 -20.736 10.511 36.839 1.00 0.00 ATOM 268 CA THR 39 -20.413 9.366 37.683 1.00 0.00 ATOM 269 CB THR 39 -20.763 8.036 36.988 1.00 0.00 ATOM 270 CG2 THR 39 -22.236 8.006 36.606 1.00 0.00 ATOM 271 OG1 THR 39 -19.973 7.893 35.802 1.00 0.00 ATOM 272 O THR 39 -18.129 10.034 37.371 1.00 0.00 ATOM 273 C THR 39 -18.926 9.342 38.014 1.00 0.00 ATOM 274 N VAL 40 -18.556 8.555 39.021 1.00 0.00 ATOM 275 CA VAL 40 -17.153 8.445 39.425 1.00 0.00 ATOM 276 CB VAL 40 -16.996 7.583 40.690 1.00 0.00 ATOM 277 CG1 VAL 40 -17.798 8.173 41.841 1.00 0.00 ATOM 278 CG2 VAL 40 -17.493 6.169 40.437 1.00 0.00 ATOM 279 O VAL 40 -15.162 8.152 38.113 1.00 0.00 ATOM 280 C VAL 40 -16.325 7.801 38.313 1.00 0.00 ATOM 281 N GLU 41 -16.954 6.908 37.553 1.00 0.00 ATOM 282 CA GLU 41 -16.295 6.206 36.454 1.00 0.00 ATOM 283 CB GLU 41 -17.193 5.090 35.917 1.00 0.00 ATOM 284 CG GLU 41 -17.363 3.918 36.869 1.00 0.00 ATOM 285 CD GLU 41 -18.353 2.889 36.359 1.00 0.00 ATOM 286 OE1 GLU 41 -18.961 3.128 35.295 1.00 0.00 ATOM 287 OE2 GLU 41 -18.522 1.845 37.023 1.00 0.00 ATOM 288 O GLU 41 -14.925 7.048 34.668 1.00 0.00 ATOM 289 C GLU 41 -15.978 7.157 35.295 1.00 0.00 ATOM 290 N ASP 42 -16.888 8.083 35.012 1.00 0.00 ATOM 291 CA ASP 42 -16.650 9.043 33.943 1.00 0.00 ATOM 292 CB ASP 42 -17.923 9.834 33.640 1.00 0.00 ATOM 293 CG ASP 42 -18.963 9.005 32.913 1.00 0.00 ATOM 294 OD1 ASP 42 -18.617 7.908 32.428 1.00 0.00 ATOM 295 OD2 ASP 42 -20.127 9.454 32.828 1.00 0.00 ATOM 296 O ASP 42 -14.613 10.281 33.661 1.00 0.00 ATOM 297 C ASP 42 -15.551 9.992 34.404 1.00 0.00 ATOM 298 N ILE 43 -15.654 10.437 35.653 1.00 0.00 ATOM 299 CA ILE 43 -14.679 11.351 36.232 1.00 0.00 ATOM 300 CB ILE 43 -14.990 11.645 37.711 1.00 0.00 ATOM 301 CG1 ILE 43 -16.278 12.462 37.834 1.00 0.00 ATOM 302 CG2 ILE 43 -13.857 12.435 38.345 1.00 0.00 ATOM 303 CD1 ILE 43 -16.798 12.573 39.251 1.00 0.00 ATOM 304 O ILE 43 -12.305 11.545 36.040 1.00 0.00 ATOM 305 C ILE 43 -13.263 10.792 36.173 1.00 0.00 ATOM 306 N LYS 44 -13.144 9.473 36.292 1.00 0.00 ATOM 307 CA LYS 44 -11.849 8.807 36.265 1.00 0.00 ATOM 308 CB LYS 44 -11.920 7.464 36.996 1.00 0.00 ATOM 309 CG LYS 44 -12.233 7.580 38.478 1.00 0.00 ATOM 310 CD LYS 44 -11.103 8.266 39.229 1.00 0.00 ATOM 311 CE LYS 44 -11.361 8.273 40.727 1.00 0.00 ATOM 312 NZ LYS 44 -10.263 8.944 41.477 1.00 0.00 ATOM 313 O LYS 44 -10.097 8.303 34.712 1.00 0.00 ATOM 314 C LYS 44 -11.303 8.495 34.874 1.00 0.00 ATOM 315 N ASN 45 -12.178 8.486 33.872 1.00 0.00 ATOM 316 CA ASN 45 -11.758 8.162 32.518 1.00 0.00 ATOM 317 CB ASN 45 -12.878 8.471 31.522 1.00 0.00 ATOM 318 CG ASN 45 -14.038 7.503 31.629 1.00 0.00 ATOM 319 ND2 ASN 45 -15.184 7.890 31.080 1.00 0.00 ATOM 320 OD1 ASN 45 -13.903 6.419 32.199 1.00 0.00 ATOM 321 O ASN 45 -9.557 8.278 31.580 1.00 0.00 ATOM 322 C ASN 45 -10.527 8.914 32.001 1.00 0.00 ATOM 323 N PHE 46 -10.540 10.261 32.015 1.00 0.00 ATOM 324 CA PHE 46 -9.339 10.937 31.512 1.00 0.00 ATOM 325 CB PHE 46 -9.706 12.279 30.879 1.00 0.00 ATOM 326 CG PHE 46 -10.516 12.155 29.621 1.00 0.00 ATOM 327 CD1 PHE 46 -11.894 12.281 29.653 1.00 0.00 ATOM 328 CD2 PHE 46 -9.901 11.913 28.405 1.00 0.00 ATOM 329 CE1 PHE 46 -12.641 12.167 28.495 1.00 0.00 ATOM 330 CE2 PHE 46 -10.647 11.798 27.248 1.00 0.00 ATOM 331 CZ PHE 46 -12.011 11.923 27.289 1.00 0.00 ATOM 332 O PHE 46 -7.379 12.065 32.322 1.00 0.00 ATOM 333 C PHE 46 -8.267 11.251 32.568 1.00 0.00 ATOM 334 N PHE 47 -8.304 10.541 33.698 1.00 0.00 ATOM 335 CA PHE 47 -7.328 10.747 34.770 1.00 0.00 ATOM 336 CB PHE 47 -7.563 9.751 35.906 1.00 0.00 ATOM 337 CG PHE 47 -6.633 9.933 37.073 1.00 0.00 ATOM 338 CD1 PHE 47 -6.849 10.939 37.998 1.00 0.00 ATOM 339 CD2 PHE 47 -5.545 9.096 37.244 1.00 0.00 ATOM 340 CE1 PHE 47 -5.994 11.105 39.070 1.00 0.00 ATOM 341 CE2 PHE 47 -4.690 9.262 38.317 1.00 0.00 ATOM 342 CZ PHE 47 -4.910 10.261 39.228 1.00 0.00 ATOM 343 O PHE 47 -5.599 9.551 33.593 1.00 0.00 ATOM 344 C PHE 47 -5.903 10.554 34.251 1.00 0.00 ATOM 345 N GLY 48 -5.047 11.533 34.525 1.00 0.00 ATOM 346 CA GLY 48 -3.674 11.464 34.068 1.00 0.00 ATOM 347 O GLY 48 -2.163 13.132 33.274 1.00 0.00 ATOM 348 C GLY 48 -3.296 12.650 33.207 1.00 0.00 ATOM 349 N SER 49 -4.242 13.109 32.386 1.00 0.00 ATOM 350 CA SER 49 -4.014 14.260 31.517 1.00 0.00 ATOM 351 CB SER 49 -5.159 14.407 30.512 1.00 0.00 ATOM 352 OG SER 49 -6.365 14.767 31.161 1.00 0.00 ATOM 353 O SER 49 -4.338 15.457 33.566 1.00 0.00 ATOM 354 C SER 49 -3.939 15.497 32.398 1.00 0.00 ATOM 355 N GLY 50 -3.462 16.601 31.825 1.00 0.00 ATOM 356 CA GLY 50 -3.391 17.874 32.538 1.00 0.00 ATOM 357 O GLY 50 -5.792 17.914 32.308 1.00 0.00 ATOM 358 C GLY 50 -4.816 18.155 33.025 1.00 0.00 ATOM 359 N VAL 51 -4.924 18.628 34.260 1.00 0.00 ATOM 360 CA VAL 51 -6.214 18.894 34.872 1.00 0.00 ATOM 361 CB VAL 51 -6.068 19.731 36.158 1.00 0.00 ATOM 362 CG1 VAL 51 -7.434 20.174 36.663 1.00 0.00 ATOM 363 CG2 VAL 51 -5.392 18.915 37.250 1.00 0.00 ATOM 364 O VAL 51 -8.418 19.279 34.025 1.00 0.00 ATOM 365 C VAL 51 -7.237 19.659 34.040 1.00 0.00 ATOM 366 N VAL 52 -6.799 20.699 33.322 1.00 0.00 ATOM 367 CA VAL 52 -7.715 21.484 32.485 1.00 0.00 ATOM 368 CB VAL 52 -7.049 22.775 31.974 1.00 0.00 ATOM 369 CG1 VAL 52 -7.945 23.472 30.962 1.00 0.00 ATOM 370 CG2 VAL 52 -6.790 23.733 33.127 1.00 0.00 ATOM 371 O VAL 52 -9.318 20.769 30.833 1.00 0.00 ATOM 372 C VAL 52 -8.165 20.678 31.263 1.00 0.00 ATOM 373 N VAL 53 -7.261 19.866 30.725 1.00 0.00 ATOM 374 CA VAL 53 -7.587 19.021 29.582 1.00 0.00 ATOM 375 CB VAL 53 -6.342 18.294 29.045 1.00 0.00 ATOM 376 CG1 VAL 53 -6.734 17.284 27.975 1.00 0.00 ATOM 377 CG2 VAL 53 -5.367 19.288 28.433 1.00 0.00 ATOM 378 O VAL 53 -9.457 17.551 29.278 1.00 0.00 ATOM 379 C VAL 53 -8.615 17.993 30.049 1.00 0.00 ATOM 380 N ALA 54 -8.519 17.615 31.323 1.00 0.00 ATOM 381 CA ALA 54 -9.406 16.638 31.939 1.00 0.00 ATOM 382 CB ALA 54 -8.950 16.327 33.357 1.00 0.00 ATOM 383 O ALA 54 -11.790 16.443 31.720 1.00 0.00 ATOM 384 C ALA 54 -10.839 17.172 31.998 1.00 0.00 ATOM 385 N VAL 55 -10.976 18.437 32.398 1.00 0.00 ATOM 386 CA VAL 55 -12.268 19.116 32.473 1.00 0.00 ATOM 387 CB VAL 55 -12.112 20.573 32.948 1.00 0.00 ATOM 388 CG1 VAL 55 -13.434 21.317 32.827 1.00 0.00 ATOM 389 CG2 VAL 55 -11.668 20.614 34.403 1.00 0.00 ATOM 390 O VAL 55 -14.088 18.789 30.929 1.00 0.00 ATOM 391 C VAL 55 -12.913 19.121 31.080 1.00 0.00 ATOM 392 N THR 56 -12.121 19.471 30.068 1.00 0.00 ATOM 393 CA THR 56 -12.589 19.506 28.681 1.00 0.00 ATOM 394 CB THR 56 -11.486 19.999 27.727 1.00 0.00 ATOM 395 CG2 THR 56 -11.981 19.987 26.289 1.00 0.00 ATOM 396 OG1 THR 56 -11.112 21.339 28.076 1.00 0.00 ATOM 397 O THR 56 -14.078 17.968 27.604 1.00 0.00 ATOM 398 C THR 56 -13.020 18.122 28.203 1.00 0.00 ATOM 399 N ARG 57 -12.187 17.120 28.468 1.00 0.00 ATOM 400 CA ARG 57 -12.498 15.753 28.070 1.00 0.00 ATOM 401 CB ARG 57 -11.429 14.789 28.588 1.00 0.00 ATOM 402 CG ARG 57 -11.679 13.334 28.229 1.00 0.00 ATOM 403 CD ARG 57 -11.652 13.123 26.723 1.00 0.00 ATOM 404 NE ARG 57 -11.835 11.719 26.363 1.00 0.00 ATOM 405 CZ ARG 57 -12.045 11.287 25.123 1.00 0.00 ATOM 406 NH1 ARG 57 -12.201 9.991 24.891 1.00 0.00 ATOM 407 NH2 ARG 57 -12.097 12.153 24.121 1.00 0.00 ATOM 408 O ARG 57 -14.643 14.709 27.962 1.00 0.00 ATOM 409 C ARG 57 -13.850 15.345 28.646 1.00 0.00 ATOM 410 N ALA 58 -14.120 15.740 29.891 1.00 0.00 ATOM 411 CA ALA 58 -15.395 15.415 30.520 1.00 0.00 ATOM 412 CB ALA 58 -15.414 15.898 31.963 1.00 0.00 ATOM 413 O ALA 58 -17.577 15.432 29.530 1.00 0.00 ATOM 414 C ALA 58 -16.560 16.079 29.776 1.00 0.00 ATOM 415 N LEU 59 -16.402 17.347 29.384 1.00 0.00 ATOM 416 CA LEU 59 -17.464 18.040 28.653 1.00 0.00 ATOM 417 CB LEU 59 -17.152 19.535 28.542 1.00 0.00 ATOM 418 CG LEU 59 -17.138 20.321 29.854 1.00 0.00 ATOM 419 CD1 LEU 59 -16.699 21.759 29.612 1.00 0.00 ATOM 420 CD2 LEU 59 -18.521 20.346 30.483 1.00 0.00 ATOM 421 O LEU 59 -18.605 17.747 26.558 1.00 0.00 ATOM 422 C LEU 59 -17.614 17.479 27.237 1.00 0.00 ATOM 423 N ALA 60 -16.625 16.699 26.802 1.00 0.00 ATOM 424 CA ALA 60 -16.616 16.085 25.471 1.00 0.00 ATOM 425 CB ALA 60 -15.194 15.728 25.063 1.00 0.00 ATOM 426 O ALA 60 -18.005 14.434 24.402 1.00 0.00 ATOM 427 C ALA 60 -17.452 14.803 25.441 1.00 0.00 ATOM 428 N TYR 61 -17.496 14.110 26.576 1.00 0.00 ATOM 429 CA TYR 61 -18.248 12.870 26.702 1.00 0.00 ATOM 430 CB TYR 61 -18.162 12.336 28.132 1.00 0.00 ATOM 431 CG TYR 61 -18.879 11.020 28.338 1.00 0.00 ATOM 432 CD1 TYR 61 -18.353 9.837 27.837 1.00 0.00 ATOM 433 CD2 TYR 61 -20.080 10.966 29.034 1.00 0.00 ATOM 434 CE1 TYR 61 -19.001 8.631 28.020 1.00 0.00 ATOM 435 CE2 TYR 61 -20.742 9.769 29.228 1.00 0.00 ATOM 436 CZ TYR 61 -20.191 8.596 28.712 1.00 0.00 ATOM 437 OH TYR 61 -20.838 7.394 28.897 1.00 0.00 ATOM 438 O TYR 61 -20.404 13.893 26.981 1.00 0.00 ATOM 439 C TYR 61 -19.721 13.075 26.363 1.00 0.00 ATOM 440 N GLU 62 -20.231 12.316 25.379 1.00 0.00 ATOM 441 CA GLU 62 -21.617 12.361 24.897 1.00 0.00 ATOM 442 CB GLU 62 -21.949 11.094 24.107 1.00 0.00 ATOM 443 CG GLU 62 -23.338 11.097 23.485 1.00 0.00 ATOM 444 CD GLU 62 -23.591 9.877 22.621 1.00 0.00 ATOM 445 OE1 GLU 62 -22.691 9.016 22.529 1.00 0.00 ATOM 446 OE2 GLU 62 -24.691 9.781 22.038 1.00 0.00 ATOM 447 O GLU 62 -23.448 13.398 26.038 1.00 0.00 ATOM 448 C GLU 62 -22.647 12.468 26.013 1.00 0.00 ATOM 449 N GLY 64 -22.577 11.531 26.953 1.00 0.00 ATOM 450 CA GLY 64 -23.487 11.480 28.093 1.00 0.00 ATOM 451 O GLY 64 -24.577 13.278 29.273 1.00 0.00 ATOM 452 C GLY 64 -23.510 12.788 28.893 1.00 0.00 ATOM 453 N SER 65 -22.326 13.339 29.158 1.00 0.00 ATOM 454 CA SER 65 -22.195 14.583 29.914 1.00 0.00 ATOM 455 CB SER 65 -20.754 14.769 30.393 1.00 0.00 ATOM 456 OG SER 65 -20.380 13.745 31.298 1.00 0.00 ATOM 457 O SER 65 -23.140 16.761 29.540 1.00 0.00 ATOM 458 C SER 65 -22.572 15.785 29.048 1.00 0.00 ATOM 459 N SER 66 -22.276 15.698 27.752 1.00 0.00 ATOM 460 CA SER 66 -22.592 16.765 26.812 1.00 0.00 ATOM 461 CB SER 66 -21.902 16.518 25.469 1.00 0.00 ATOM 462 OG SER 66 -22.217 17.538 24.538 1.00 0.00 ATOM 463 O SER 66 -24.674 17.922 26.612 1.00 0.00 ATOM 464 C SER 66 -24.097 16.838 26.579 1.00 0.00 ATOM 465 N ARG 67 -24.727 15.683 26.362 1.00 0.00 ATOM 466 CA ARG 67 -26.175 15.605 26.134 1.00 0.00 ATOM 467 CB ARG 67 -26.617 14.147 25.994 1.00 0.00 ATOM 468 CG ARG 67 -28.096 13.971 25.689 1.00 0.00 ATOM 469 CD ARG 67 -28.483 12.504 25.654 1.00 0.00 ATOM 470 NE ARG 67 -28.355 11.873 26.966 1.00 0.00 ATOM 471 CZ ARG 67 -29.236 12.012 27.951 1.00 0.00 ATOM 472 NH1 ARG 67 -29.037 11.400 29.109 1.00 0.00 ATOM 473 NH2 ARG 67 -30.316 12.763 27.774 1.00 0.00 ATOM 474 O ARG 67 -27.771 17.093 27.142 1.00 0.00 ATOM 475 C ARG 67 -26.902 16.232 27.314 1.00 0.00 ATOM 476 N GLU 68 -26.521 15.784 28.505 1.00 0.00 ATOM 477 CA GLU 68 -27.072 16.271 29.759 1.00 0.00 ATOM 478 CB GLU 68 -26.278 15.717 30.943 1.00 0.00 ATOM 479 CG GLU 68 -26.499 14.234 31.201 1.00 0.00 ATOM 480 CD GLU 68 -25.735 13.733 32.410 1.00 0.00 ATOM 481 OE1 GLU 68 -24.962 14.521 32.993 1.00 0.00 ATOM 482 OE2 GLU 68 -25.908 12.550 32.773 1.00 0.00 ATOM 483 O GLU 68 -28.040 18.471 29.776 1.00 0.00 ATOM 484 C GLU 68 -27.009 17.803 29.796 1.00 0.00 ATOM 485 N SER 69 -25.788 18.336 29.758 1.00 0.00 ATOM 486 CA SER 69 -25.516 19.775 29.790 1.00 0.00 ATOM 487 CB SER 69 -24.038 20.047 29.499 1.00 0.00 ATOM 488 OG SER 69 -23.761 21.437 29.520 1.00 0.00 ATOM 489 O SER 69 -26.859 21.656 29.119 1.00 0.00 ATOM 490 C SER 69 -26.306 20.608 28.775 1.00 0.00 ATOM 491 N LEU 70 -26.293 20.179 27.517 1.00 0.00 ATOM 492 CA LEU 70 -27.006 20.879 26.453 1.00 0.00 ATOM 493 CB LEU 70 -26.827 20.151 25.118 1.00 0.00 ATOM 494 CG LEU 70 -27.511 20.783 23.905 1.00 0.00 ATOM 495 CD1 LEU 70 -26.964 22.179 23.646 1.00 0.00 ATOM 496 CD2 LEU 70 -27.277 19.943 22.659 1.00 0.00 ATOM 497 O LEU 70 -29.125 21.982 26.614 1.00 0.00 ATOM 498 C LEU 70 -28.487 20.944 26.775 1.00 0.00 ATOM 499 N VAL 71 -29.013 19.823 27.255 1.00 0.00 ATOM 500 CA VAL 71 -30.418 19.706 27.609 1.00 0.00 ATOM 501 CB VAL 71 -30.797 18.249 27.931 1.00 0.00 ATOM 502 CG1 VAL 71 -30.560 17.356 26.725 1.00 0.00 ATOM 503 CG2 VAL 71 -29.963 17.725 29.091 1.00 0.00 ATOM 504 O VAL 71 -31.968 20.615 29.217 1.00 0.00 ATOM 505 C VAL 71 -30.796 20.543 28.844 1.00 0.00 ATOM 506 N ALA 72 -29.808 21.195 29.453 1.00 0.00 ATOM 507 CA ALA 72 -30.041 22.037 30.629 1.00 0.00 ATOM 508 CB ALA 72 -29.015 21.735 31.710 1.00 0.00 ATOM 509 O ALA 72 -30.911 24.259 30.327 1.00 0.00 ATOM 510 C ALA 72 -29.933 23.516 30.259 1.00 0.00 ATOM 511 N PHE 73 -28.736 23.923 29.851 1.00 0.00 ATOM 512 CA PHE 73 -28.466 25.306 29.468 1.00 0.00 ATOM 513 CB PHE 73 -26.961 25.584 29.491 1.00 0.00 ATOM 514 CG PHE 73 -26.370 25.606 30.871 1.00 0.00 ATOM 515 CD1 PHE 73 -25.690 24.507 31.366 1.00 0.00 ATOM 516 CD2 PHE 73 -26.491 26.726 31.675 1.00 0.00 ATOM 517 CE1 PHE 73 -25.144 24.527 32.636 1.00 0.00 ATOM 518 CE2 PHE 73 -25.947 26.747 32.945 1.00 0.00 ATOM 519 CZ PHE 73 -25.275 25.653 33.425 1.00 0.00 ATOM 520 O PHE 73 -28.788 26.757 27.583 1.00 0.00 ATOM 521 C PHE 73 -28.967 25.637 28.066 1.00 0.00 ATOM 522 N GLY 74 -29.611 24.658 27.431 1.00 0.00 ATOM 523 CA GLY 74 -30.159 24.796 26.080 1.00 0.00 ATOM 524 O GLY 74 -29.358 25.205 23.843 1.00 0.00 ATOM 525 C GLY 74 -29.066 24.931 25.014 1.00 0.00 ATOM 526 N THR 75 -27.817 24.712 25.427 1.00 0.00 ATOM 527 CA THR 75 -26.656 24.785 24.536 1.00 0.00 ATOM 528 CB THR 75 -26.107 26.220 24.438 1.00 0.00 ATOM 529 CG2 THR 75 -25.522 26.660 25.772 1.00 0.00 ATOM 530 OG1 THR 75 -25.079 26.275 23.441 1.00 0.00 ATOM 531 O THR 75 -25.483 23.435 26.171 1.00 0.00 ATOM 532 C THR 75 -25.502 23.892 25.021 1.00 0.00 ATOM 533 N ALA 83 -24.545 23.650 24.129 1.00 0.00 ATOM 534 CA ALA 83 -23.383 22.822 24.433 1.00 0.00 ATOM 535 CB ALA 83 -22.811 22.222 23.158 1.00 0.00 ATOM 536 O ALA 83 -22.128 24.833 24.832 1.00 0.00 ATOM 537 C ALA 83 -22.282 23.641 25.110 1.00 0.00 ATOM 538 N VAL 84 -21.484 23.001 25.987 1.00 0.00 ATOM 539 CA VAL 84 -20.380 23.621 26.734 1.00 0.00 ATOM 540 CB VAL 84 -19.542 22.568 27.482 1.00 0.00 ATOM 541 CG1 VAL 84 -18.350 23.222 28.165 1.00 0.00 ATOM 542 CG2 VAL 84 -20.381 21.874 28.544 1.00 0.00 ATOM 543 O VAL 84 -18.806 23.866 24.928 1.00 0.00 ATOM 544 C VAL 84 -19.386 24.406 25.872 1.00 0.00 ATOM 545 N THR 85 -19.190 25.678 26.215 1.00 0.00 ATOM 546 CA THR 85 -18.264 26.541 25.483 1.00 0.00 ATOM 547 CB THR 85 -18.888 27.918 25.190 1.00 0.00 ATOM 548 CG2 THR 85 -20.184 27.761 24.410 1.00 0.00 ATOM 549 OG1 THR 85 -19.167 28.591 26.425 1.00 0.00 ATOM 550 O THR 85 -17.010 26.464 27.525 1.00 0.00 ATOM 551 C THR 85 -17.005 26.740 26.324 1.00 0.00 ATOM 552 N GLN 86 -15.929 27.208 25.690 1.00 0.00 ATOM 553 CA GLN 86 -14.653 27.461 26.366 1.00 0.00 ATOM 554 CB GLN 86 -13.698 28.218 25.442 1.00 0.00 ATOM 555 CG GLN 86 -13.106 27.368 24.330 1.00 0.00 ATOM 556 CD GLN 86 -12.227 28.168 23.388 1.00 0.00 ATOM 557 OE1 GLN 86 -12.029 29.369 23.580 1.00 0.00 ATOM 558 NE2 GLN 86 -11.696 27.504 22.368 1.00 0.00 ATOM 559 O GLN 86 -13.951 28.303 28.519 1.00 0.00 ATOM 560 C GLN 86 -14.820 28.300 27.639 1.00 0.00 ATOM 561 N THR 87 -15.942 29.011 27.720 1.00 0.00 ATOM 562 CA THR 87 -16.263 29.834 28.875 1.00 0.00 ATOM 563 CB THR 87 -17.465 30.755 28.597 1.00 0.00 ATOM 564 CG2 THR 87 -17.806 31.576 29.830 1.00 0.00 ATOM 565 OG1 THR 87 -17.149 31.646 27.518 1.00 0.00 ATOM 566 O THR 87 -16.135 29.135 31.169 1.00 0.00 ATOM 567 C THR 87 -16.605 28.924 30.052 1.00 0.00 ATOM 568 N GLU 88 -17.406 27.901 29.776 1.00 0.00 ATOM 569 CA GLU 88 -17.839 26.937 30.782 1.00 0.00 ATOM 570 CB GLU 88 -18.921 26.016 30.210 1.00 0.00 ATOM 571 CG GLU 88 -20.254 26.702 29.965 1.00 0.00 ATOM 572 CD GLU 88 -21.271 25.785 29.315 1.00 0.00 ATOM 573 OE1 GLU 88 -20.912 24.630 29.000 1.00 0.00 ATOM 574 OE2 GLU 88 -22.425 26.220 29.122 1.00 0.00 ATOM 575 O GLU 88 -16.748 25.544 32.407 1.00 0.00 ATOM 576 C GLU 88 -16.704 26.041 31.281 1.00 0.00 ATOM 577 N VAL 89 -15.709 25.805 30.432 1.00 0.00 ATOM 578 CA VAL 89 -14.583 24.965 30.806 1.00 0.00 ATOM 579 CB VAL 89 -13.778 24.516 29.571 1.00 0.00 ATOM 580 CG1 VAL 89 -12.532 23.755 29.996 1.00 0.00 ATOM 581 CG2 VAL 89 -14.620 23.610 28.688 1.00 0.00 ATOM 582 O VAL 89 -13.366 25.323 32.848 1.00 0.00 ATOM 583 C VAL 89 -13.663 25.758 31.731 1.00 0.00 ATOM 584 N ASN 90 -13.275 26.949 31.283 1.00 0.00 ATOM 585 CA ASN 90 -12.385 27.835 32.037 1.00 0.00 ATOM 586 CB ASN 90 -12.200 29.163 31.300 1.00 0.00 ATOM 587 CG ASN 90 -11.324 29.029 30.069 1.00 0.00 ATOM 588 ND2 ASN 90 -11.434 29.991 29.160 1.00 0.00 ATOM 589 OD1 ASN 90 -10.560 28.073 29.940 1.00 0.00 ATOM 590 O ASN 90 -12.198 28.160 34.427 1.00 0.00 ATOM 591 C ASN 90 -12.935 28.147 33.429 1.00 0.00 ATOM 592 N ARG 91 -14.246 28.376 33.472 1.00 0.00 ATOM 593 CA ARG 91 -14.981 28.695 34.690 1.00 0.00 ATOM 594 CB ARG 91 -16.431 29.056 34.361 1.00 0.00 ATOM 595 CG ARG 91 -17.256 29.467 35.569 1.00 0.00 ATOM 596 CD ARG 91 -18.646 29.928 35.158 1.00 0.00 ATOM 597 NE ARG 91 -19.453 30.327 36.308 1.00 0.00 ATOM 598 CZ ARG 91 -20.722 30.711 36.232 1.00 0.00 ATOM 599 NH1 ARG 91 -21.378 31.056 37.332 1.00 0.00 ATOM 600 NH2 ARG 91 -21.337 30.746 35.057 1.00 0.00 ATOM 601 O ARG 91 -14.878 27.737 36.884 1.00 0.00 ATOM 602 C ARG 91 -15.012 27.531 35.676 1.00 0.00 ATOM 603 N VAL 92 -15.216 26.316 35.175 1.00 0.00 ATOM 604 CA VAL 92 -15.240 25.140 36.043 1.00 0.00 ATOM 605 CB VAL 92 -15.803 23.909 35.310 1.00 0.00 ATOM 606 CG1 VAL 92 -15.643 22.661 36.163 1.00 0.00 ATOM 607 CG2 VAL 92 -17.283 24.099 35.008 1.00 0.00 ATOM 608 O VAL 92 -13.669 24.347 37.668 1.00 0.00 ATOM 609 C VAL 92 -13.841 24.780 36.530 1.00 0.00 ATOM 610 N LEU 93 -12.849 24.935 35.659 1.00 0.00 ATOM 611 CA LEU 93 -11.476 24.625 36.018 1.00 0.00 ATOM 612 CB LEU 93 -10.559 24.759 34.801 1.00 0.00 ATOM 613 CG LEU 93 -10.758 23.733 33.685 1.00 0.00 ATOM 614 CD1 LEU 93 -9.897 24.074 32.479 1.00 0.00 ATOM 615 CD2 LEU 93 -10.376 22.339 34.162 1.00 0.00 ATOM 616 O LEU 93 -10.220 25.265 37.978 1.00 0.00 ATOM 617 C LEU 93 -11.027 25.599 37.102 1.00 0.00 ATOM 618 N GLU 94 -11.589 26.800 37.032 1.00 0.00 ATOM 619 CA GLU 94 -11.325 27.881 37.965 1.00 0.00 ATOM 620 CB GLU 94 -12.150 29.119 37.600 1.00 0.00 ATOM 621 CG GLU 94 -11.901 30.316 38.502 1.00 0.00 ATOM 622 CD GLU 94 -12.709 31.531 38.089 1.00 0.00 ATOM 623 OE1 GLU 94 -13.452 31.442 37.091 1.00 0.00 ATOM 624 OE2 GLU 94 -12.596 32.576 38.767 1.00 0.00 ATOM 625 O GLU 94 -10.891 27.497 40.289 1.00 0.00 ATOM 626 C GLU 94 -11.702 27.421 39.365 1.00 0.00 ATOM 627 N VAL 95 -12.926 26.917 39.501 1.00 0.00 ATOM 628 CA VAL 95 -13.418 26.417 40.779 1.00 0.00 ATOM 629 CB VAL 95 -14.915 26.061 40.706 1.00 0.00 ATOM 630 CG1 VAL 95 -15.360 25.368 41.985 1.00 0.00 ATOM 631 CG2 VAL 95 -15.753 27.316 40.523 1.00 0.00 ATOM 632 O VAL 95 -12.395 24.909 42.336 1.00 0.00 ATOM 633 C VAL 95 -12.636 25.170 41.156 1.00 0.00 ATOM 634 N PHE 96 -12.278 24.383 40.142 1.00 0.00 ATOM 635 CA PHE 96 -11.509 23.164 40.348 1.00 0.00 ATOM 636 CB PHE 96 -11.133 22.533 39.005 1.00 0.00 ATOM 637 CG PHE 96 -10.305 21.286 39.132 1.00 0.00 ATOM 638 CD1 PHE 96 -10.902 20.066 39.400 1.00 0.00 ATOM 639 CD2 PHE 96 -8.931 21.333 38.982 1.00 0.00 ATOM 640 CE1 PHE 96 -10.141 18.919 39.515 1.00 0.00 ATOM 641 CE2 PHE 96 -8.170 20.185 39.098 1.00 0.00 ATOM 642 CZ PHE 96 -8.769 18.983 39.364 1.00 0.00 ATOM 643 O PHE 96 -9.880 22.807 42.062 1.00 0.00 ATOM 644 C PHE 96 -10.228 23.500 41.120 1.00 0.00 ATOM 645 N LYS 97 -9.559 24.587 40.748 1.00 0.00 ATOM 646 CA LYS 97 -8.332 24.980 41.434 1.00 0.00 ATOM 647 CB LYS 97 -7.648 26.132 40.693 1.00 0.00 ATOM 648 CG LYS 97 -6.333 26.576 41.314 1.00 0.00 ATOM 649 CD LYS 97 -5.669 27.660 40.482 1.00 0.00 ATOM 650 CE LYS 97 -4.370 28.128 41.121 1.00 0.00 ATOM 651 NZ LYS 97 -3.736 29.230 40.344 1.00 0.00 ATOM 652 O LYS 97 -7.822 25.054 43.775 1.00 0.00 ATOM 653 C LYS 97 -8.553 25.452 42.867 1.00 0.00 ATOM 654 N PRO 98 -9.558 26.300 43.061 1.00 0.00 ATOM 655 CA PRO 98 -9.882 26.837 44.377 1.00 0.00 ATOM 656 CB PRO 98 -11.134 27.683 44.136 1.00 0.00 ATOM 657 CG PRO 98 -11.022 28.116 42.713 1.00 0.00 ATOM 658 CD PRO 98 -10.445 26.947 41.965 1.00 0.00 ATOM 659 O PRO 98 -9.751 25.834 46.552 1.00 0.00 ATOM 660 C PRO 98 -10.156 25.734 45.394 1.00 0.00 ATOM 661 N TYR 99 -10.837 24.682 44.954 1.00 0.00 ATOM 662 CA TYR 99 -11.168 23.563 45.830 1.00 0.00 ATOM 663 CB TYR 99 -12.376 22.798 45.288 1.00 0.00 ATOM 664 CG TYR 99 -12.823 21.655 46.171 1.00 0.00 ATOM 665 CD1 TYR 99 -13.530 21.895 47.341 1.00 0.00 ATOM 666 CD2 TYR 99 -12.537 20.340 45.830 1.00 0.00 ATOM 667 CE1 TYR 99 -13.942 20.858 48.156 1.00 0.00 ATOM 668 CE2 TYR 99 -12.942 19.288 46.632 1.00 0.00 ATOM 669 CZ TYR 99 -13.651 19.558 47.801 1.00 0.00 ATOM 670 OH TYR 99 -14.061 18.522 48.611 1.00 0.00 ATOM 671 O TYR 99 -9.752 22.044 47.041 1.00 0.00 ATOM 672 C TYR 99 -10.009 22.574 45.956 1.00 0.00 ATOM 673 N TYR 100 -9.299 22.352 44.853 1.00 0.00 ATOM 674 CA TYR 100 -8.171 21.428 44.842 1.00 0.00 ATOM 675 CB TYR 100 -7.610 21.287 43.426 1.00 0.00 ATOM 676 CG TYR 100 -6.407 20.374 43.332 1.00 0.00 ATOM 677 CD1 TYR 100 -6.563 18.993 43.312 1.00 0.00 ATOM 678 CD2 TYR 100 -5.123 20.897 43.267 1.00 0.00 ATOM 679 CE1 TYR 100 -5.470 18.153 43.227 1.00 0.00 ATOM 680 CE2 TYR 100 -4.018 20.070 43.182 1.00 0.00 ATOM 681 CZ TYR 100 -4.201 18.688 43.162 1.00 0.00 ATOM 682 OH TYR 100 -3.110 17.853 43.078 1.00 0.00 ATOM 683 O TYR 100 -6.572 21.173 46.606 1.00 0.00 ATOM 684 C TYR 100 -7.046 21.921 45.752 1.00 0.00 ATOM 685 N ALA 101 -6.650 23.181 45.589 1.00 0.00 ATOM 686 CA ALA 101 -5.568 23.770 46.386 1.00 0.00 ATOM 687 CB ALA 101 -5.434 25.253 46.081 1.00 0.00 ATOM 688 O ALA 101 -4.724 23.517 48.611 1.00 0.00 ATOM 689 C ALA 101 -5.714 23.680 47.903 1.00 0.00 ATOM 690 N ASP 102 -6.944 23.776 48.400 1.00 0.00 ATOM 691 CA ASP 102 -7.205 23.723 49.838 1.00 0.00 ATOM 692 CB ASP 102 -8.657 24.107 50.133 1.00 0.00 ATOM 693 CG ASP 102 -8.916 25.589 49.955 1.00 0.00 ATOM 694 OD1 ASP 102 -7.935 26.355 49.847 1.00 0.00 ATOM 695 OD2 ASP 102 -10.100 25.987 49.926 1.00 0.00 ATOM 696 O ASP 102 -6.476 22.242 51.585 1.00 0.00 ATOM 697 C ASP 102 -6.985 22.342 50.468 1.00 0.00 ATOM 698 N HIS 103 -7.363 21.286 49.752 1.00 0.00 ATOM 699 CA HIS 103 -7.212 19.918 50.247 1.00 0.00 ATOM 700 CB HIS 103 -8.387 19.051 49.793 1.00 0.00 ATOM 701 CG HIS 103 -9.705 19.470 50.367 1.00 0.00 ATOM 702 CD2 HIS 103 -10.913 20.093 49.845 1.00 0.00 ATOM 703 ND1 HIS 103 -10.025 19.301 51.695 1.00 0.00 ATOM 704 CE1 HIS 103 -11.267 19.770 51.908 1.00 0.00 ATOM 705 NE2 HIS 103 -11.806 20.246 50.804 1.00 0.00 ATOM 706 O HIS 103 -5.541 18.205 50.338 1.00 0.00 ATOM 707 C HIS 103 -5.944 19.215 49.770 1.00 0.00 ATOM 708 N CYS 104 -5.306 19.773 48.748 1.00 0.00 ATOM 709 CA CYS 104 -4.106 19.193 48.149 1.00 0.00 ATOM 710 CB CYS 104 -3.388 20.226 47.277 1.00 0.00 ATOM 711 SG CYS 104 -1.907 19.605 46.447 1.00 0.00 ATOM 712 O CYS 104 -2.450 17.591 48.879 1.00 0.00 ATOM 713 C CYS 104 -3.021 18.665 49.112 1.00 0.00 ATOM 714 N GLN 105 -2.712 19.412 50.193 1.00 0.00 ATOM 715 CA GLN 105 -1.692 18.959 51.149 1.00 0.00 ATOM 716 CB GLN 105 -1.540 19.968 52.289 1.00 0.00 ATOM 717 CG GLN 105 -0.887 21.277 51.876 1.00 0.00 ATOM 718 CD GLN 105 -0.789 22.266 53.020 1.00 0.00 ATOM 719 OE1 GLN 105 -1.171 21.963 54.151 1.00 0.00 ATOM 720 NE2 GLN 105 -0.276 23.456 52.731 1.00 0.00 ATOM 721 O GLN 105 -1.097 16.890 52.235 1.00 0.00 ATOM 722 C GLN 105 -2.010 17.605 51.799 1.00 0.00 ATOM 723 N ILE 106 -3.299 17.261 51.854 1.00 0.00 ATOM 724 CA ILE 106 -3.745 16.009 52.457 1.00 0.00 ATOM 725 CB ILE 106 -5.225 16.079 52.875 1.00 0.00 ATOM 726 CG1 ILE 106 -6.118 16.265 51.645 1.00 0.00 ATOM 727 CG2 ILE 106 -5.456 17.249 53.819 1.00 0.00 ATOM 728 CD1 ILE 106 -7.598 16.162 51.947 1.00 0.00 ATOM 729 O ILE 106 -3.821 13.665 51.950 1.00 0.00 ATOM 730 C ILE 106 -3.619 14.805 51.523 1.00 0.00 ATOM 731 N LYS 107 -3.310 15.053 50.252 1.00 0.00 ATOM 732 CA LYS 107 -3.182 13.969 49.276 1.00 0.00 ATOM 733 CB LYS 107 -4.178 14.161 48.129 1.00 0.00 ATOM 734 CG LYS 107 -5.635 14.100 48.555 1.00 0.00 ATOM 735 CD LYS 107 -6.000 12.721 49.081 1.00 0.00 ATOM 736 CE LYS 107 -7.453 12.666 49.525 1.00 0.00 ATOM 737 NZ LYS 107 -7.808 11.337 50.095 1.00 0.00 ATOM 738 O LYS 107 -1.648 13.743 47.432 1.00 0.00 ATOM 739 C LYS 107 -1.794 13.873 48.647 1.00 0.00 ATOM 740 N THR 108 -0.775 13.944 49.490 1.00 0.00 ATOM 741 CA THR 108 0.601 13.842 49.044 1.00 0.00 ATOM 742 CB THR 108 1.350 15.178 49.212 1.00 0.00 ATOM 743 CG2 THR 108 0.702 16.260 48.362 1.00 0.00 ATOM 744 OG1 THR 108 1.312 15.581 50.585 1.00 0.00 ATOM 745 O THR 108 2.553 12.789 49.977 1.00 0.00 ATOM 746 C THR 108 1.328 12.773 49.868 1.00 0.00 ATOM 747 N GLY 109 0.572 11.851 50.454 1.00 0.00 ATOM 748 CA GLY 109 1.171 10.779 51.249 1.00 0.00 ATOM 749 O GLY 109 0.846 8.979 49.702 1.00 0.00 ATOM 750 C GLY 109 1.647 9.619 50.395 1.00 0.00 ATOM 751 N PRO 110 2.952 9.301 50.464 1.00 0.00 ATOM 752 CA PRO 110 3.562 8.203 49.709 1.00 0.00 ATOM 753 CB PRO 110 4.987 8.117 50.264 1.00 0.00 ATOM 754 CG PRO 110 5.287 9.501 50.732 1.00 0.00 ATOM 755 CD PRO 110 4.011 10.028 51.327 1.00 0.00 ATOM 756 O PRO 110 2.485 6.541 51.068 1.00 0.00 ATOM 757 C PRO 110 2.793 6.900 49.930 1.00 0.00 ATOM 758 N PHE 111 2.447 6.233 48.830 1.00 0.00 ATOM 759 CA PHE 111 1.722 4.966 48.869 1.00 0.00 ATOM 760 CB PHE 111 1.409 4.485 47.451 1.00 0.00 ATOM 761 CG PHE 111 0.616 3.211 47.404 1.00 0.00 ATOM 762 CD1 PHE 111 -0.748 3.219 47.632 1.00 0.00 ATOM 763 CD2 PHE 111 1.234 2.002 47.133 1.00 0.00 ATOM 764 CE1 PHE 111 -1.480 2.048 47.589 1.00 0.00 ATOM 765 CE2 PHE 111 0.504 0.831 47.092 1.00 0.00 ATOM 766 CZ PHE 111 -0.847 0.849 47.318 1.00 0.00 ATOM 767 O PHE 111 3.754 3.738 49.335 1.00 0.00 ATOM 768 C PHE 111 2.563 3.877 49.578 1.00 0.00 ATOM 769 N PRO 112 1.920 3.186 50.514 1.00 0.00 ATOM 770 CA PRO 112 2.495 2.122 51.350 1.00 0.00 ATOM 771 CB PRO 112 1.604 0.910 51.070 1.00 0.00 ATOM 772 CG PRO 112 0.298 1.496 50.649 1.00 0.00 ATOM 773 CD PRO 112 0.631 2.731 49.860 1.00 0.00 ATOM 774 O PRO 112 4.807 1.979 52.002 1.00 0.00 ATOM 775 C PRO 112 3.947 1.661 51.162 1.00 0.00 ATOM 776 N GLY 113 4.243 0.913 50.101 1.00 0.00 ATOM 777 CA GLY 113 5.617 0.441 49.940 1.00 0.00 ATOM 778 O GLY 113 7.545 0.485 48.519 1.00 0.00 ATOM 779 C GLY 113 6.500 1.049 48.859 1.00 0.00 ATOM 780 N ILE 114 6.098 2.194 48.321 1.00 0.00 ATOM 781 CA ILE 114 6.847 2.856 47.263 1.00 0.00 ATOM 782 CB ILE 114 6.114 4.111 46.753 1.00 0.00 ATOM 783 CG1 ILE 114 4.782 3.725 46.103 1.00 0.00 ATOM 784 CG2 ILE 114 6.960 4.841 45.722 1.00 0.00 ATOM 785 CD1 ILE 114 4.932 2.820 44.899 1.00 0.00 ATOM 786 O ILE 114 9.189 3.193 46.902 1.00 0.00 ATOM 787 C ILE 114 8.238 3.330 47.671 1.00 0.00 ATOM 788 N LEU 115 8.362 3.875 48.873 1.00 0.00 ATOM 789 CA LEU 115 9.647 4.388 49.330 1.00 0.00 ATOM 790 CB LEU 115 9.520 4.977 50.736 1.00 0.00 ATOM 791 CG LEU 115 10.795 5.572 51.340 1.00 0.00 ATOM 792 CD1 LEU 115 11.301 6.731 50.493 1.00 0.00 ATOM 793 CD2 LEU 115 10.532 6.091 52.746 1.00 0.00 ATOM 794 O LEU 115 11.910 3.683 49.087 1.00 0.00 ATOM 795 C LEU 115 10.762 3.362 49.407 1.00 0.00 ATOM 796 N ASP 116 10.448 2.136 49.817 1.00 0.00 ATOM 797 CA ASP 116 11.493 1.123 49.872 1.00 0.00 ATOM 798 CB ASP 116 10.976 -0.143 50.559 1.00 0.00 ATOM 799 CG ASP 116 10.818 0.030 52.057 1.00 0.00 ATOM 800 OD1 ASP 116 11.332 1.032 52.597 1.00 0.00 ATOM 801 OD2 ASP 116 10.180 -0.837 52.691 1.00 0.00 ATOM 802 O ASP 116 13.124 0.547 48.214 1.00 0.00 ATOM 803 C ASP 116 11.943 0.766 48.452 1.00 0.00 ATOM 804 N LEU 117 11.016 0.772 47.498 1.00 0.00 ATOM 805 CA LEU 117 11.369 0.464 46.113 1.00 0.00 ATOM 806 CB LEU 117 10.112 0.393 45.243 1.00 0.00 ATOM 807 CG LEU 117 10.328 0.047 43.769 1.00 0.00 ATOM 808 CD1 LEU 117 10.977 -1.320 43.624 1.00 0.00 ATOM 809 CD2 LEU 117 9.002 0.027 43.022 1.00 0.00 ATOM 810 O LEU 117 13.293 1.255 44.926 1.00 0.00 ATOM 811 C LEU 117 12.287 1.550 45.570 1.00 0.00 ATOM 812 N MET 118 11.957 2.805 45.862 1.00 0.00 ATOM 813 CA MET 118 12.755 3.940 45.408 1.00 0.00 ATOM 814 CB MET 118 12.150 5.253 45.907 1.00 0.00 ATOM 815 CG MET 118 10.824 5.613 45.256 1.00 0.00 ATOM 816 SD MET 118 10.082 7.096 45.963 1.00 0.00 ATOM 817 CE MET 118 11.230 8.352 45.402 1.00 0.00 ATOM 818 O MET 118 15.149 4.059 45.183 1.00 0.00 ATOM 819 C MET 118 14.194 3.855 45.929 1.00 0.00 ATOM 820 N LYS 119 14.327 3.564 47.219 1.00 0.00 ATOM 821 CA LYS 119 15.624 3.434 47.858 1.00 0.00 ATOM 822 CB LYS 119 15.461 3.216 49.363 1.00 0.00 ATOM 823 CG LYS 119 14.963 4.437 50.119 1.00 0.00 ATOM 824 CD LYS 119 14.827 4.151 51.606 1.00 0.00 ATOM 825 CE LYS 119 14.307 5.366 52.355 1.00 0.00 ATOM 826 NZ LYS 119 14.136 5.089 53.809 1.00 0.00 ATOM 827 O LYS 119 17.583 2.271 47.100 1.00 0.00 ATOM 828 C LYS 119 16.369 2.243 47.260 1.00 0.00 ATOM 829 N ASN 120 15.640 1.190 46.924 1.00 0.00 ATOM 830 CA ASN 120 16.281 0.030 46.327 1.00 0.00 ATOM 831 CB ASN 120 15.281 -1.115 46.171 1.00 0.00 ATOM 832 CG ASN 120 14.924 -1.763 47.496 1.00 0.00 ATOM 833 ND2 ASN 120 13.784 -2.443 47.531 1.00 0.00 ATOM 834 OD1 ASN 120 15.665 -1.650 48.471 1.00 0.00 ATOM 835 O ASN 120 17.948 -0.025 44.599 1.00 0.00 ATOM 836 C ASN 120 16.836 0.379 44.948 1.00 0.00 ATOM 837 N LEU 121 16.074 1.156 44.180 1.00 0.00 ATOM 838 CA LEU 121 16.503 1.558 42.847 1.00 0.00 ATOM 839 CB LEU 121 15.393 2.338 42.139 1.00 0.00 ATOM 840 CG LEU 121 14.150 1.541 41.744 1.00 0.00 ATOM 841 CD1 LEU 121 13.062 2.463 41.218 1.00 0.00 ATOM 842 CD2 LEU 121 14.482 0.530 40.657 1.00 0.00 ATOM 843 O LEU 121 18.648 2.327 42.078 1.00 0.00 ATOM 844 C LEU 121 17.748 2.456 42.902 1.00 0.00 ATOM 845 N ARG 122 17.807 3.355 43.875 1.00 0.00 ATOM 846 CA ARG 122 18.962 4.246 44.001 1.00 0.00 ATOM 847 CB ARG 122 18.713 5.297 45.085 1.00 0.00 ATOM 848 CG ARG 122 17.683 6.349 44.706 1.00 0.00 ATOM 849 CD ARG 122 17.427 7.311 45.854 1.00 0.00 ATOM 850 NE ARG 122 16.436 8.326 45.507 1.00 0.00 ATOM 851 CZ ARG 122 15.973 9.239 46.355 1.00 0.00 ATOM 852 NH1 ARG 122 15.072 10.123 45.951 1.00 0.00 ATOM 853 NH2 ARG 122 16.414 9.266 47.606 1.00 0.00 ATOM 854 O ARG 122 21.310 3.815 43.840 1.00 0.00 ATOM 855 C ARG 122 20.247 3.506 44.377 1.00 0.00 ATOM 856 N GLN 123 20.142 2.518 45.271 1.00 0.00 ATOM 857 CA GLN 123 21.288 1.692 45.672 1.00 0.00 ATOM 858 CB GLN 123 20.826 0.520 46.539 1.00 0.00 ATOM 859 CG GLN 123 21.957 -0.359 47.049 1.00 0.00 ATOM 860 CD GLN 123 21.463 -1.496 47.923 1.00 0.00 ATOM 861 OE1 GLN 123 20.259 -1.698 48.073 1.00 0.00 ATOM 862 NE2 GLN 123 22.396 -2.243 48.502 1.00 0.00 ATOM 863 O GLN 123 23.199 1.054 44.372 1.00 0.00 ATOM 864 C GLN 123 21.979 1.144 44.423 1.00 0.00 ATOM 865 N LYS 124 21.179 0.763 43.430 1.00 0.00 ATOM 866 CA LYS 124 21.678 0.227 42.164 1.00 0.00 ATOM 867 CB LYS 124 20.591 -0.593 41.465 1.00 0.00 ATOM 868 CG LYS 124 20.200 -1.861 42.205 1.00 0.00 ATOM 869 CD LYS 124 19.115 -2.624 41.461 1.00 0.00 ATOM 870 CE LYS 124 18.729 -3.894 42.197 1.00 0.00 ATOM 871 NZ LYS 124 17.640 -4.633 41.498 1.00 0.00 ATOM 872 O LYS 124 22.659 1.044 40.119 1.00 0.00 ATOM 873 C LYS 124 22.117 1.330 41.188 1.00 0.00 ATOM 874 N GLY 125 21.893 2.586 41.554 1.00 0.00 ATOM 875 CA GLY 125 22.292 3.677 40.681 1.00 0.00 ATOM 876 O GLY 125 21.676 4.571 38.551 1.00 0.00 ATOM 877 C GLY 125 21.302 4.005 39.573 1.00 0.00 ATOM 878 N VAL 126 20.039 3.654 39.771 1.00 0.00 ATOM 879 CA VAL 126 19.003 3.940 38.787 1.00 0.00 ATOM 880 CB VAL 126 17.870 2.899 38.841 1.00 0.00 ATOM 881 CG1 VAL 126 16.767 3.261 37.858 1.00 0.00 ATOM 882 CG2 VAL 126 18.397 1.518 38.485 1.00 0.00 ATOM 883 O VAL 126 17.963 5.613 40.163 1.00 0.00 ATOM 884 C VAL 126 18.395 5.320 39.049 1.00 0.00 ATOM 885 N LYS 127 18.400 6.167 38.020 1.00 0.00 ATOM 886 CA LYS 127 17.841 7.526 38.099 1.00 0.00 ATOM 887 CB LYS 127 18.068 8.276 36.785 1.00 0.00 ATOM 888 CG LYS 127 19.533 8.512 36.451 1.00 0.00 ATOM 889 CD LYS 127 20.169 9.499 37.415 1.00 0.00 ATOM 890 CE LYS 127 21.611 9.790 37.038 1.00 0.00 ATOM 891 NZ LYS 127 22.290 10.641 38.052 1.00 0.00 ATOM 892 O LYS 127 15.678 6.515 37.932 1.00 0.00 ATOM 893 C LYS 127 16.337 7.454 38.370 1.00 0.00 ATOM 894 N LEU 128 15.806 8.438 39.091 1.00 0.00 ATOM 895 CA LEU 128 14.381 8.489 39.426 1.00 0.00 ATOM 896 CB LEU 128 14.187 8.538 40.942 1.00 0.00 ATOM 897 CG LEU 128 14.751 7.358 41.736 1.00 0.00 ATOM 898 CD1 LEU 128 14.613 7.602 43.232 1.00 0.00 ATOM 899 CD2 LEU 128 14.010 6.075 41.393 1.00 0.00 ATOM 900 O LEU 128 13.918 10.842 39.298 1.00 0.00 ATOM 901 C LEU 128 13.722 9.731 38.817 1.00 0.00 ATOM 902 N ALA 129 12.945 9.540 37.753 1.00 0.00 ATOM 903 CA ALA 129 12.268 10.658 37.105 1.00 0.00 ATOM 904 CB ALA 129 12.505 10.622 35.603 1.00 0.00 ATOM 905 O ALA 129 10.269 9.690 37.999 1.00 0.00 ATOM 906 C ALA 129 10.768 10.610 37.345 1.00 0.00 ATOM 907 N VAL 130 10.049 11.627 36.883 1.00 0.00 ATOM 908 CA VAL 130 8.602 11.638 37.063 1.00 0.00 ATOM 909 CB VAL 130 8.216 12.003 38.509 1.00 0.00 ATOM 910 CG1 VAL 130 8.656 13.421 38.836 1.00 0.00 ATOM 911 CG2 VAL 130 6.710 11.910 38.697 1.00 0.00 ATOM 912 O VAL 130 8.386 13.658 35.818 1.00 0.00 ATOM 913 C VAL 130 7.852 12.618 36.190 1.00 0.00 ATOM 914 N VAL 131 6.628 12.239 35.824 1.00 0.00 ATOM 915 CA VAL 131 5.756 13.062 34.995 1.00 0.00 ATOM 916 CB VAL 131 5.486 12.401 33.630 1.00 0.00 ATOM 917 CG1 VAL 131 6.782 12.238 32.851 1.00 0.00 ATOM 918 CG2 VAL 131 4.862 11.027 33.818 1.00 0.00 ATOM 919 O VAL 131 4.198 12.411 36.689 1.00 0.00 ATOM 920 C VAL 131 4.467 13.203 35.785 1.00 0.00 ATOM 921 N SER 132 3.646 14.179 35.432 1.00 0.00 ATOM 922 CA SER 132 2.430 14.402 36.195 1.00 0.00 ATOM 923 CB SER 132 2.678 15.416 37.315 1.00 0.00 ATOM 924 OG SER 132 2.954 16.700 36.787 1.00 0.00 ATOM 925 O SER 132 1.363 15.333 34.240 1.00 0.00 ATOM 926 C SER 132 1.242 14.942 35.409 1.00 0.00 ATOM 927 N ASN 133 0.094 14.941 36.080 1.00 0.00 ATOM 928 CA ASN 133 -1.125 15.470 35.510 1.00 0.00 ATOM 929 CB ASN 133 -2.307 14.552 35.825 1.00 0.00 ATOM 930 CG ASN 133 -2.585 14.447 37.312 1.00 0.00 ATOM 931 ND2 ASN 133 -3.844 14.625 37.693 1.00 0.00 ATOM 932 OD1 ASN 133 -1.675 14.208 38.107 1.00 0.00 ATOM 933 O ASN 133 -2.013 17.692 35.561 1.00 0.00 ATOM 934 C ASN 133 -1.341 16.839 36.131 1.00 0.00 ATOM 935 N LYS 134 -0.755 17.034 37.310 1.00 0.00 ATOM 936 CA LYS 134 -0.845 18.287 38.058 1.00 0.00 ATOM 937 CB LYS 134 -0.358 18.090 39.495 1.00 0.00 ATOM 938 CG LYS 134 -1.250 17.190 40.335 1.00 0.00 ATOM 939 CD LYS 134 -0.728 17.067 41.756 1.00 0.00 ATOM 940 CE LYS 134 -1.621 16.168 42.597 1.00 0.00 ATOM 941 NZ LYS 134 -1.125 16.045 43.995 1.00 0.00 ATOM 942 O LYS 134 1.043 19.108 36.825 1.00 0.00 ATOM 943 C LYS 134 0.004 19.386 37.425 1.00 0.00 ATOM 944 N PRO 135 -0.427 20.635 37.584 1.00 0.00 ATOM 945 CA PRO 135 0.316 21.776 37.057 1.00 0.00 ATOM 946 CB PRO 135 -0.701 22.918 37.070 1.00 0.00 ATOM 947 CG PRO 135 -1.592 22.613 38.228 1.00 0.00 ATOM 948 CD PRO 135 -1.745 21.117 38.253 1.00 0.00 ATOM 949 O PRO 135 1.574 21.490 39.086 1.00 0.00 ATOM 950 C PRO 135 1.507 22.034 37.982 1.00 0.00 ATOM 951 N ASN 136 2.426 22.887 37.538 1.00 0.00 ATOM 952 CA ASN 136 3.615 23.245 38.321 1.00 0.00 ATOM 953 CB ASN 136 4.454 24.284 37.576 1.00 0.00 ATOM 954 CG ASN 136 5.189 23.697 36.388 1.00 0.00 ATOM 955 ND2 ASN 136 5.600 24.557 35.462 1.00 0.00 ATOM 956 OD1 ASN 136 5.386 22.484 36.305 1.00 0.00 ATOM 957 O ASN 136 3.775 23.453 40.714 1.00 0.00 ATOM 958 C ASN 136 3.220 23.833 39.680 1.00 0.00 ATOM 959 N GLU 137 2.232 24.725 39.663 1.00 0.00 ATOM 960 CA GLU 137 1.722 25.383 40.873 1.00 0.00 ATOM 961 CB GLU 137 0.555 26.311 40.530 1.00 0.00 ATOM 962 CG GLU 137 -0.006 27.070 41.721 1.00 0.00 ATOM 963 CD GLU 137 -1.137 28.005 41.336 1.00 0.00 ATOM 964 OE1 GLU 137 -1.474 28.065 40.135 1.00 0.00 ATOM 965 OE2 GLU 137 -1.687 28.673 42.236 1.00 0.00 ATOM 966 O GLU 137 1.550 24.403 43.054 1.00 0.00 ATOM 967 C GLU 137 1.238 24.339 41.869 1.00 0.00 ATOM 968 N ALA 138 0.490 23.364 41.363 1.00 0.00 ATOM 969 CA ALA 138 -0.028 22.275 42.174 1.00 0.00 ATOM 970 CB ALA 138 -0.967 21.403 41.352 1.00 0.00 ATOM 971 O ALA 138 1.049 20.949 43.848 1.00 0.00 ATOM 972 C ALA 138 1.098 21.385 42.704 1.00 0.00 ATOM 973 N VAL 139 2.105 21.124 41.868 1.00 0.00 ATOM 974 CA VAL 139 3.225 20.275 42.254 1.00 0.00 ATOM 975 CB VAL 139 4.139 19.968 41.052 1.00 0.00 ATOM 976 CG1 VAL 139 5.392 19.237 41.510 1.00 0.00 ATOM 977 CG2 VAL 139 3.414 19.092 40.042 1.00 0.00 ATOM 978 O VAL 139 4.744 20.120 44.084 1.00 0.00 ATOM 979 C VAL 139 4.129 20.868 43.315 1.00 0.00 ATOM 980 N GLN 140 4.232 22.200 43.354 1.00 0.00 ATOM 981 CA GLN 140 5.053 22.863 44.368 1.00 0.00 ATOM 982 CB GLN 140 5.020 24.379 44.177 1.00 0.00 ATOM 983 CG GLN 140 5.763 24.866 42.943 1.00 0.00 ATOM 984 CD GLN 140 5.644 26.364 42.744 1.00 0.00 ATOM 985 OE1 GLN 140 4.966 27.050 43.509 1.00 0.00 ATOM 986 NE2 GLN 140 6.305 26.876 41.712 1.00 0.00 ATOM 987 O GLN 140 5.210 22.415 46.724 1.00 0.00 ATOM 988 C GLN 140 4.483 22.501 45.736 1.00 0.00 ATOM 989 N VAL 141 3.176 22.260 45.768 1.00 0.00 ATOM 990 CA VAL 141 2.477 21.877 46.981 1.00 0.00 ATOM 991 CB VAL 141 0.974 22.206 46.895 1.00 0.00 ATOM 992 CG1 VAL 141 0.241 21.677 48.117 1.00 0.00 ATOM 993 CG2 VAL 141 0.762 23.711 46.822 1.00 0.00 ATOM 994 O VAL 141 3.059 19.954 48.283 1.00 0.00 ATOM 995 C VAL 141 2.625 20.372 47.213 1.00 0.00 ATOM 996 N LEU 142 2.318 19.573 46.190 1.00 0.00 ATOM 997 CA LEU 142 2.410 18.120 46.276 1.00 0.00 ATOM 998 CB LEU 142 1.957 17.477 44.964 1.00 0.00 ATOM 999 CG LEU 142 2.016 15.949 44.902 1.00 0.00 ATOM 1000 CD1 LEU 142 1.099 15.333 45.948 1.00 0.00 ATOM 1001 CD2 LEU 142 1.581 15.448 43.534 1.00 0.00 ATOM 1002 O LEU 142 4.034 16.777 47.446 1.00 0.00 ATOM 1003 C LEU 142 3.836 17.606 46.557 1.00 0.00 ATOM 1004 N VAL 143 4.822 18.114 45.818 1.00 0.00 ATOM 1005 CA VAL 143 6.208 17.690 45.989 1.00 0.00 ATOM 1006 CB VAL 143 7.124 18.312 44.919 1.00 0.00 ATOM 1007 CG1 VAL 143 8.584 18.011 45.227 1.00 0.00 ATOM 1008 CG2 VAL 143 6.798 17.750 43.544 1.00 0.00 ATOM 1009 O VAL 143 7.520 17.289 47.958 1.00 0.00 ATOM 1010 C VAL 143 6.797 18.082 47.344 1.00 0.00 ATOM 1011 N GLU 144 6.502 19.299 47.801 1.00 0.00 ATOM 1012 CA GLU 144 6.982 19.765 49.103 1.00 0.00 ATOM 1013 CB GLU 144 6.504 21.194 49.369 1.00 0.00 ATOM 1014 CG GLU 144 6.995 21.778 50.684 1.00 0.00 ATOM 1015 CD GLU 144 6.530 23.204 50.898 1.00 0.00 ATOM 1016 OE1 GLU 144 5.833 23.743 50.010 1.00 0.00 ATOM 1017 OE2 GLU 144 6.862 23.786 51.952 1.00 0.00 ATOM 1018 O GLU 144 7.206 18.343 51.059 1.00 0.00 ATOM 1019 C GLU 144 6.446 18.849 50.216 1.00 0.00 ATOM 1020 N GLU 145 5.129 18.631 50.187 1.00 0.00 ATOM 1021 CA GLU 145 4.443 17.793 51.161 1.00 0.00 ATOM 1022 CB GLU 145 2.934 17.805 50.910 1.00 0.00 ATOM 1023 CG GLU 145 2.258 19.122 51.257 1.00 0.00 ATOM 1024 CD GLU 145 2.447 19.510 52.710 1.00 0.00 ATOM 1025 OE1 GLU 145 2.153 18.676 53.591 1.00 0.00 ATOM 1026 OE2 GLU 145 2.893 20.648 52.967 1.00 0.00 ATOM 1027 O GLU 145 5.034 15.670 52.142 1.00 0.00 ATOM 1028 C GLU 145 4.906 16.326 51.110 1.00 0.00 ATOM 1029 N LEU 146 5.137 15.812 49.904 1.00 0.00 ATOM 1030 CA LEU 146 5.601 14.441 49.723 1.00 0.00 ATOM 1031 CB LEU 146 5.621 14.075 48.237 1.00 0.00 ATOM 1032 CG LEU 146 4.282 14.157 47.500 1.00 0.00 ATOM 1033 CD1 LEU 146 4.463 13.868 46.019 1.00 0.00 ATOM 1034 CD2 LEU 146 3.295 13.147 48.065 1.00 0.00 ATOM 1035 O LEU 146 7.340 13.292 50.889 1.00 0.00 ATOM 1036 C LEU 146 7.010 14.306 50.285 1.00 0.00 ATOM 1037 N PHE 147 8.329 16.055 52.703 1.00 0.00 ATOM 1038 CA PHE 147 8.218 16.092 54.158 1.00 0.00 ATOM 1039 CB PHE 147 7.080 17.024 54.584 1.00 0.00 ATOM 1040 CG PHE 147 6.982 17.219 56.069 1.00 0.00 ATOM 1041 CD1 PHE 147 7.898 18.010 56.740 1.00 0.00 ATOM 1042 CD2 PHE 147 5.974 16.613 56.798 1.00 0.00 ATOM 1043 CE1 PHE 147 7.809 18.193 58.107 1.00 0.00 ATOM 1044 CE2 PHE 147 5.883 16.794 58.165 1.00 0.00 ATOM 1045 CZ PHE 147 6.796 17.580 58.819 1.00 0.00 ATOM 1046 O PHE 147 8.361 14.330 55.764 1.00 0.00 ATOM 1047 C PHE 147 7.933 14.692 54.679 1.00 0.00 ATOM 1048 N PRO 148 7.210 13.917 53.873 1.00 0.00 ATOM 1049 CA PRO 148 6.825 12.558 54.211 1.00 0.00 ATOM 1050 CB PRO 148 5.453 12.389 53.555 1.00 0.00 ATOM 1051 CG PRO 148 5.546 13.169 52.286 1.00 0.00 ATOM 1052 CD PRO 148 6.370 14.386 52.605 1.00 0.00 ATOM 1053 O PRO 148 7.466 10.301 53.683 1.00 0.00 ATOM 1054 C PRO 148 7.787 11.489 53.695 1.00 0.00 ATOM 1055 N GLY 149 8.960 11.920 53.255 1.00 0.00 ATOM 1056 CA GLY 149 9.963 10.971 52.791 1.00 0.00 ATOM 1057 O GLY 149 10.573 9.555 50.987 1.00 0.00 ATOM 1058 C GLY 149 10.043 10.615 51.321 1.00 0.00 ATOM 1059 N SER 150 9.570 11.491 50.439 1.00 0.00 ATOM 1060 CA SER 150 9.632 11.199 49.015 1.00 0.00 ATOM 1061 CB SER 150 8.290 10.657 48.521 1.00 0.00 ATOM 1062 OG SER 150 8.009 9.392 49.095 1.00 0.00 ATOM 1063 O SER 150 9.207 13.357 48.030 1.00 0.00 ATOM 1064 C SER 150 9.954 12.379 48.118 1.00 0.00 ATOM 1065 N PHE 151 11.755 12.704 44.085 1.00 0.00 ATOM 1066 CA PHE 151 12.415 12.102 42.919 1.00 0.00 ATOM 1067 CB PHE 151 11.457 12.053 41.726 1.00 0.00 ATOM 1068 CG PHE 151 10.353 11.047 41.876 1.00 0.00 ATOM 1069 CD1 PHE 151 9.082 11.444 42.250 1.00 0.00 ATOM 1070 CD2 PHE 151 10.586 9.703 41.643 1.00 0.00 ATOM 1071 CE1 PHE 151 8.064 10.519 42.389 1.00 0.00 ATOM 1072 CE2 PHE 151 9.569 8.776 41.781 1.00 0.00 ATOM 1073 CZ PHE 151 8.313 9.180 42.152 1.00 0.00 ATOM 1074 O PHE 151 13.844 14.021 42.997 1.00 0.00 ATOM 1075 C PHE 151 13.647 12.909 42.508 1.00 0.00 ATOM 1076 N ASP 152 14.466 12.353 41.614 1.00 0.00 ATOM 1077 CA ASP 152 15.658 13.044 41.116 1.00 0.00 ATOM 1078 CB ASP 152 16.533 12.086 40.304 1.00 0.00 ATOM 1079 CG ASP 152 17.260 11.080 41.176 1.00 0.00 ATOM 1080 OD1 ASP 152 17.286 11.272 42.407 1.00 0.00 ATOM 1081 OD2 ASP 152 17.805 10.101 40.622 1.00 0.00 ATOM 1082 O ASP 152 15.895 15.231 40.143 1.00 0.00 ATOM 1083 C ASP 152 15.222 14.205 40.226 1.00 0.00 ATOM 1084 N PHE 153 14.099 14.026 39.541 1.00 0.00 ATOM 1085 CA PHE 153 13.591 15.061 38.657 1.00 0.00 ATOM 1086 CB PHE 153 14.191 14.914 37.258 1.00 0.00 ATOM 1087 CG PHE 153 15.688 15.033 37.224 1.00 0.00 ATOM 1088 CD1 PHE 153 16.487 13.906 37.287 1.00 0.00 ATOM 1089 CD2 PHE 153 16.296 16.273 37.130 1.00 0.00 ATOM 1090 CE1 PHE 153 17.865 14.016 37.257 1.00 0.00 ATOM 1091 CE2 PHE 153 17.673 16.382 37.102 1.00 0.00 ATOM 1092 CZ PHE 153 18.457 15.261 37.163 1.00 0.00 ATOM 1093 O PHE 153 11.498 13.911 38.872 1.00 0.00 ATOM 1094 C PHE 153 12.077 14.950 38.557 1.00 0.00 ATOM 1095 N ALA 154 11.452 16.025 38.093 1.00 0.00 ATOM 1096 CA ALA 154 10.007 16.106 37.959 1.00 0.00 ATOM 1097 CB ALA 154 9.378 16.572 39.264 1.00 0.00 ATOM 1098 O ALA 154 10.153 18.236 36.843 1.00 0.00 ATOM 1099 C ALA 154 9.663 17.107 36.849 1.00 0.00 ATOM 1100 N LEU 155 8.819 16.687 35.918 1.00 0.00 ATOM 1101 CA LEU 155 8.413 17.548 34.820 1.00 0.00 ATOM 1102 CB LEU 155 8.968 17.023 33.493 1.00 0.00 ATOM 1103 CG LEU 155 10.493 16.988 33.363 1.00 0.00 ATOM 1104 CD1 LEU 155 10.908 16.281 32.084 1.00 0.00 ATOM 1105 CD2 LEU 155 11.061 18.399 33.333 1.00 0.00 ATOM 1106 O LEU 155 6.273 16.496 34.976 1.00 0.00 ATOM 1107 C LEU 155 6.893 17.543 34.789 1.00 0.00 ATOM 1108 N GLY 156 6.297 18.721 34.616 1.00 0.00 ATOM 1109 CA GLY 156 4.844 18.846 34.550 1.00 0.00 ATOM 1110 O GLY 156 5.344 19.687 32.355 1.00 0.00 ATOM 1111 C GLY 156 4.473 19.298 33.138 1.00 0.00 ATOM 1112 N GLU 157 3.182 19.223 32.780 1.00 0.00 ATOM 1113 CA GLU 157 2.784 19.651 31.435 1.00 0.00 ATOM 1114 CB GLU 157 1.273 19.499 31.250 1.00 0.00 ATOM 1115 CG GLU 157 0.447 20.457 32.095 1.00 0.00 ATOM 1116 CD GLU 157 0.229 19.952 33.507 1.00 0.00 ATOM 1117 OE1 GLU 157 0.826 18.914 33.865 1.00 0.00 ATOM 1118 OE2 GLU 157 -0.535 20.593 34.257 1.00 0.00 ATOM 1119 O GLU 157 3.222 21.497 29.976 1.00 0.00 ATOM 1120 C GLU 157 3.125 21.115 31.136 1.00 0.00 ATOM 1121 N LYS 158 3.358 21.912 32.178 1.00 0.00 ATOM 1122 CA LYS 158 3.706 23.327 32.008 1.00 0.00 ATOM 1123 CB LYS 158 3.654 24.058 33.350 1.00 0.00 ATOM 1124 CG LYS 158 2.265 24.129 33.965 1.00 0.00 ATOM 1125 CD LYS 158 1.324 24.957 33.106 1.00 0.00 ATOM 1126 CE LYS 158 -0.035 25.115 33.769 1.00 0.00 ATOM 1127 NZ LYS 158 -0.985 25.878 32.914 1.00 0.00 ATOM 1128 O LYS 158 5.425 24.575 30.895 1.00 0.00 ATOM 1129 C LYS 158 5.109 23.515 31.439 1.00 0.00 ATOM 1130 N SER 159 5.946 22.486 31.592 1.00 0.00 ATOM 1131 CA SER 159 7.325 22.508 31.116 1.00 0.00 ATOM 1132 CB SER 159 8.177 21.506 31.898 1.00 0.00 ATOM 1133 OG SER 159 7.772 20.175 31.631 1.00 0.00 ATOM 1134 O SER 159 8.492 22.438 29.034 1.00 0.00 ATOM 1135 C SER 159 7.469 22.154 29.646 1.00 0.00 ATOM 1136 N GLY 160 6.457 21.517 29.080 1.00 0.00 ATOM 1137 CA GLY 160 6.516 21.095 27.683 1.00 0.00 ATOM 1138 O GLY 160 4.370 22.143 27.490 1.00 0.00 ATOM 1139 C GLY 160 5.291 21.573 26.903 1.00 0.00 ATOM 1140 N ILE 161 5.270 21.359 25.572 1.00 0.00 ATOM 1141 CA ILE 161 4.138 21.789 24.735 1.00 0.00 ATOM 1142 CB ILE 161 4.327 21.362 23.268 1.00 0.00 ATOM 1143 CG1 ILE 161 5.482 22.137 22.631 1.00 0.00 ATOM 1144 CG2 ILE 161 3.064 21.635 22.466 1.00 0.00 ATOM 1145 CD1 ILE 161 5.907 21.600 21.282 1.00 0.00 ATOM 1146 O ILE 161 1.726 21.850 24.819 1.00 0.00 ATOM 1147 C ILE 161 2.757 21.240 25.131 1.00 0.00 ATOM 1148 N ARG 162 2.733 20.090 25.799 1.00 0.00 ATOM 1149 CA ARG 162 1.467 19.469 26.189 1.00 0.00 ATOM 1150 CB ARG 162 0.700 18.994 24.952 1.00 0.00 ATOM 1151 CG ARG 162 1.419 17.922 24.150 1.00 0.00 ATOM 1152 CD ARG 162 0.619 17.524 22.919 1.00 0.00 ATOM 1153 NE ARG 162 0.575 18.595 21.926 1.00 0.00 ATOM 1154 CZ ARG 162 -0.171 18.563 20.827 1.00 0.00 ATOM 1155 NH1 ARG 162 -0.146 19.584 19.979 1.00 0.00 ATOM 1156 NH2 ARG 162 -0.938 17.512 20.575 1.00 0.00 ATOM 1157 O ARG 162 2.787 17.666 27.020 1.00 0.00 ATOM 1158 C ARG 162 1.721 18.270 27.087 1.00 0.00 ATOM 1159 N ARG 163 0.740 17.938 27.926 1.00 0.00 ATOM 1160 CA ARG 163 0.873 16.804 28.832 1.00 0.00 ATOM 1161 CB ARG 163 -0.074 16.957 30.024 1.00 0.00 ATOM 1162 CG ARG 163 0.279 18.107 30.953 1.00 0.00 ATOM 1163 CD ARG 163 -0.535 18.051 32.235 1.00 0.00 ATOM 1164 NE ARG 163 -1.967 18.196 31.981 1.00 0.00 ATOM 1165 CZ ARG 163 -2.589 19.366 31.861 1.00 0.00 ATOM 1166 NH1 ARG 163 -3.894 19.400 31.631 1.00 0.00 ATOM 1167 NH2 ARG 163 -1.904 20.495 31.972 1.00 0.00 ATOM 1168 O ARG 163 0.609 15.374 26.950 1.00 0.00 ATOM 1169 C ARG 163 0.549 15.479 28.172 1.00 0.00 ATOM 1170 N LYS 164 0.194 14.472 28.968 1.00 0.00 ATOM 1171 CA LYS 164 -0.144 13.160 28.421 1.00 0.00 ATOM 1172 CB LYS 164 -0.557 12.203 29.541 1.00 0.00 ATOM 1173 CG LYS 164 0.569 11.839 30.494 1.00 0.00 ATOM 1174 CD LYS 164 0.086 10.895 31.584 1.00 0.00 ATOM 1175 CE LYS 164 1.228 10.481 32.500 1.00 0.00 ATOM 1176 NZ LYS 164 0.769 9.560 33.575 1.00 0.00 ATOM 1177 O LYS 164 -2.090 14.258 27.563 1.00 0.00 ATOM 1178 C LYS 164 -1.304 13.323 27.438 1.00 0.00 ATOM 1179 N PRO 165 -1.449 12.403 26.468 1.00 0.00 ATOM 1180 CA PRO 165 -0.662 11.200 26.186 1.00 0.00 ATOM 1181 CB PRO 165 -1.573 10.364 25.286 1.00 0.00 ATOM 1182 CG PRO 165 -2.384 11.367 24.539 1.00 0.00 ATOM 1183 CD PRO 165 -2.636 12.496 25.498 1.00 0.00 ATOM 1184 O PRO 165 1.370 10.536 25.123 1.00 0.00 ATOM 1185 C PRO 165 0.661 11.475 25.483 1.00 0.00 ATOM 1186 N ALA 166 0.988 12.747 25.279 1.00 0.00 ATOM 1187 CA ALA 166 2.218 13.109 24.595 1.00 0.00 ATOM 1188 CB ALA 166 2.266 14.609 24.350 1.00 0.00 ATOM 1189 O ALA 166 3.451 12.804 26.619 1.00 0.00 ATOM 1190 C ALA 166 3.452 12.736 25.389 1.00 0.00 ATOM 1191 N PRO 167 4.508 12.295 24.690 1.00 0.00 ATOM 1192 CA PRO 167 5.793 11.876 25.256 1.00 0.00 ATOM 1193 CB PRO 167 6.399 10.979 24.174 1.00 0.00 ATOM 1194 CG PRO 167 5.914 11.565 22.889 1.00 0.00 ATOM 1195 CD PRO 167 4.509 12.034 23.148 1.00 0.00 ATOM 1196 O PRO 167 7.888 12.756 25.994 1.00 0.00 ATOM 1197 C PRO 167 6.753 13.007 25.581 1.00 0.00 ATOM 1198 N ASP 168 6.283 14.244 25.452 1.00 0.00 ATOM 1199 CA ASP 168 7.127 15.402 25.718 1.00 0.00 ATOM 1200 CB ASP 168 6.310 16.693 25.615 1.00 0.00 ATOM 1201 CG ASP 168 5.950 17.040 24.184 1.00 0.00 ATOM 1202 OD1 ASP 168 6.524 16.427 23.260 1.00 0.00 ATOM 1203 OD2 ASP 168 5.093 17.928 23.987 1.00 0.00 ATOM 1204 O ASP 168 8.972 15.461 27.229 1.00 0.00 ATOM 1205 C ASP 168 7.759 15.383 27.112 1.00 0.00 ATOM 1206 N MET 169 6.951 15.232 28.159 1.00 0.00 ATOM 1207 CA MET 169 7.484 15.202 29.517 1.00 0.00 ATOM 1208 CB MET 169 6.361 14.961 30.528 1.00 0.00 ATOM 1209 CG MET 169 5.410 16.134 30.691 1.00 0.00 ATOM 1210 SD MET 169 4.260 15.915 32.062 1.00 0.00 ATOM 1211 CE MET 169 3.144 14.692 31.375 1.00 0.00 ATOM 1212 O MET 169 9.486 14.299 30.480 1.00 0.00 ATOM 1213 C MET 169 8.525 14.102 29.739 1.00 0.00 ATOM 1214 N THR 170 8.334 12.942 29.121 1.00 0.00 ATOM 1215 CA THR 170 9.293 11.851 29.290 1.00 0.00 ATOM 1216 CB THR 170 8.779 10.543 28.660 1.00 0.00 ATOM 1217 CG2 THR 170 9.807 9.435 28.815 1.00 0.00 ATOM 1218 OG1 THR 170 7.565 10.142 29.309 1.00 0.00 ATOM 1219 O THR 170 11.685 11.880 29.169 1.00 0.00 ATOM 1220 C THR 170 10.627 12.195 28.628 1.00 0.00 ATOM 1221 N SER 171 10.570 12.861 27.473 1.00 0.00 ATOM 1222 CA SER 171 11.778 13.259 26.739 1.00 0.00 ATOM 1223 CB SER 171 11.404 13.901 25.401 1.00 0.00 ATOM 1224 OG SER 171 10.768 12.967 24.546 1.00 0.00 ATOM 1225 O SER 171 13.809 14.273 27.490 1.00 0.00 ATOM 1226 C SER 171 12.576 14.260 27.551 1.00 0.00 ATOM 1227 N GLU 172 11.871 15.111 28.297 1.00 0.00 ATOM 1228 CA GLU 172 12.537 16.098 29.135 1.00 0.00 ATOM 1229 CB GLU 172 11.535 17.135 29.642 1.00 0.00 ATOM 1230 CG GLU 172 11.011 18.071 28.563 1.00 0.00 ATOM 1231 CD GLU 172 9.953 19.025 29.083 1.00 0.00 ATOM 1232 OE1 GLU 172 9.584 18.913 30.270 1.00 0.00 ATOM 1233 OE2 GLU 172 9.493 19.885 28.302 1.00 0.00 ATOM 1234 O GLU 172 14.247 15.808 30.785 1.00 0.00 ATOM 1235 C GLU 172 13.181 15.406 30.341 1.00 0.00 ATOM 1236 N CYS 173 12.545 14.358 30.861 1.00 0.00 ATOM 1237 CA CYS 173 13.133 13.620 31.977 1.00 0.00 ATOM 1238 CB CYS 173 12.208 12.482 32.411 1.00 0.00 ATOM 1239 SG CYS 173 10.675 13.024 33.201 1.00 0.00 ATOM 1240 O CYS 173 15.493 13.283 32.143 1.00 0.00 ATOM 1241 C CYS 173 14.475 13.044 31.521 1.00 0.00 ATOM 1242 N VAL 174 14.463 12.335 30.397 1.00 0.00 ATOM 1243 CA VAL 174 15.664 11.726 29.821 1.00 0.00 ATOM 1244 CB VAL 174 15.385 11.141 28.422 1.00 0.00 ATOM 1245 CG1 VAL 174 16.683 10.705 27.759 1.00 0.00 ATOM 1246 CG2 VAL 174 14.469 9.931 28.525 1.00 0.00 ATOM 1247 O VAL 174 17.950 12.471 30.043 1.00 0.00 ATOM 1248 C VAL 174 16.804 12.736 29.665 1.00 0.00 ATOM 1249 N LYS 175 16.463 13.898 29.121 1.00 0.00 ATOM 1250 CA LYS 175 17.400 14.982 28.888 1.00 0.00 ATOM 1251 CB LYS 175 16.671 16.217 28.354 1.00 0.00 ATOM 1252 CG LYS 175 17.583 17.391 28.043 1.00 0.00 ATOM 1253 CD LYS 175 16.804 18.553 27.452 1.00 0.00 ATOM 1254 CE LYS 175 17.708 19.746 27.186 1.00 0.00 ATOM 1255 NZ LYS 175 16.955 20.902 26.628 1.00 0.00 ATOM 1256 O LYS 175 19.359 15.500 30.138 1.00 0.00 ATOM 1257 C LYS 175 18.136 15.412 30.134 1.00 0.00 ATOM 1258 N VAL 176 17.373 15.750 31.165 1.00 0.00 ATOM 1259 CA VAL 176 17.935 16.218 32.419 1.00 0.00 ATOM 1260 CB VAL 176 16.863 16.868 33.311 1.00 0.00 ATOM 1261 CG1 VAL 176 16.223 18.052 32.600 1.00 0.00 ATOM 1262 CG2 VAL 176 15.772 15.864 33.650 1.00 0.00 ATOM 1263 O VAL 176 19.372 15.381 34.157 1.00 0.00 ATOM 1264 C VAL 176 18.576 15.104 33.260 1.00 0.00 ATOM 1265 N LEU 177 18.255 13.850 32.948 1.00 0.00 ATOM 1266 CA LEU 177 18.821 12.707 33.674 1.00 0.00 ATOM 1267 CB LEU 177 17.782 11.594 33.813 1.00 0.00 ATOM 1268 CG LEU 177 16.509 11.947 34.586 1.00 0.00 ATOM 1269 CD1 LEU 177 15.531 10.781 34.575 1.00 0.00 ATOM 1270 CD2 LEU 177 16.834 12.279 36.034 1.00 0.00 ATOM 1271 O LEU 177 20.847 11.442 33.516 1.00 0.00 ATOM 1272 C LEU 177 20.029 12.151 32.930 1.00 0.00 ATOM 1273 N GLY 178 20.112 12.460 31.635 1.00 0.00 ATOM 1274 CA GLY 178 21.216 11.999 30.811 1.00 0.00 ATOM 1275 O GLY 178 22.142 9.864 30.273 1.00 0.00 ATOM 1276 C GLY 178 21.124 10.536 30.433 1.00 0.00 ATOM 1277 N VAL 179 19.899 10.054 30.240 1.00 0.00 ATOM 1278 CA VAL 179 19.668 8.655 29.890 1.00 0.00 ATOM 1279 CB VAL 179 18.700 7.979 30.877 1.00 0.00 ATOM 1280 CG1 VAL 179 18.707 6.470 30.683 1.00 0.00 ATOM 1281 CG2 VAL 179 19.103 8.281 32.312 1.00 0.00 ATOM 1282 O VAL 179 18.053 9.089 28.188 1.00 0.00 ATOM 1283 C VAL 179 19.066 8.484 28.504 1.00 0.00 ATOM 1284 N PRO 180 19.167 5.269 25.009 1.00 0.00 ATOM 1285 CA PRO 180 17.919 5.627 24.319 1.00 0.00 ATOM 1286 CB PRO 180 17.816 4.604 23.186 1.00 0.00 ATOM 1287 CG PRO 180 19.205 4.086 23.022 1.00 0.00 ATOM 1288 CD PRO 180 19.829 4.129 24.389 1.00 0.00 ATOM 1289 O PRO 180 16.875 5.198 26.451 1.00 0.00 ATOM 1290 C PRO 180 16.720 5.537 25.268 1.00 0.00 ATOM 1291 N ARG 181 15.527 5.811 24.746 1.00 0.00 ATOM 1292 CA ARG 181 14.320 5.759 25.569 1.00 0.00 ATOM 1293 CB ARG 181 13.095 6.167 24.750 1.00 0.00 ATOM 1294 CG ARG 181 13.121 7.611 24.272 1.00 0.00 ATOM 1295 CD ARG 181 12.976 8.580 25.434 1.00 0.00 ATOM 1296 NE ARG 181 12.911 9.968 24.985 1.00 0.00 ATOM 1297 CZ ARG 181 13.974 10.753 24.828 1.00 0.00 ATOM 1298 NH1 ARG 181 13.820 12.002 24.414 1.00 0.00 ATOM 1299 NH2 ARG 181 15.187 10.283 25.086 1.00 0.00 ATOM 1300 O ARG 181 13.484 4.205 27.197 1.00 0.00 ATOM 1301 C ARG 181 14.061 4.353 26.121 1.00 0.00 ATOM 1302 N ASP 182 14.524 3.332 25.397 1.00 0.00 ATOM 1303 CA ASP 182 14.327 1.944 25.805 1.00 0.00 ATOM 1304 CB ASP 182 14.684 0.993 24.663 1.00 0.00 ATOM 1305 CG ASP 182 16.158 1.033 24.309 1.00 0.00 ATOM 1306 OD1 ASP 182 16.908 1.778 24.974 1.00 0.00 ATOM 1307 OD2 ASP 182 16.564 0.320 23.367 1.00 0.00 ATOM 1308 O ASP 182 15.150 0.386 27.430 1.00 0.00 ATOM 1309 C ASP 182 15.183 1.538 27.006 1.00 0.00 ATOM 1310 N LYS 183 15.972 2.483 27.511 1.00 0.00 ATOM 1311 CA LYS 183 16.805 2.274 28.694 1.00 0.00 ATOM 1312 CB LYS 183 18.161 2.963 28.523 1.00 0.00 ATOM 1313 CG LYS 183 18.957 2.475 27.324 1.00 0.00 ATOM 1314 CD LYS 183 19.247 0.986 27.422 1.00 0.00 ATOM 1315 CE LYS 183 20.010 0.491 26.205 1.00 0.00 ATOM 1316 NZ LYS 183 20.135 -0.992 26.194 1.00 0.00 ATOM 1317 O LYS 183 16.597 3.168 30.912 1.00 0.00 ATOM 1318 C LYS 183 16.034 2.880 29.855 1.00 0.00 ATOM 1319 N CYS 184 14.738 3.082 29.646 1.00 0.00 ATOM 1320 CA CYS 184 13.891 3.685 30.661 1.00 0.00 ATOM 1321 CB CYS 184 13.605 5.149 30.318 1.00 0.00 ATOM 1322 SG CYS 184 15.065 6.213 30.312 1.00 0.00 ATOM 1323 O CYS 184 12.052 2.398 29.819 1.00 0.00 ATOM 1324 C CYS 184 12.557 2.974 30.785 1.00 0.00 ATOM 1325 N VAL 185 11.987 3.043 31.985 1.00 0.00 ATOM 1326 CA VAL 185 10.690 2.451 32.291 1.00 0.00 ATOM 1327 CB VAL 185 10.794 1.409 33.419 1.00 0.00 ATOM 1328 CG1 VAL 185 9.422 0.849 33.756 1.00 0.00 ATOM 1329 CG2 VAL 185 11.695 0.257 32.998 1.00 0.00 ATOM 1330 O VAL 185 10.107 4.433 33.487 1.00 0.00 ATOM 1331 C VAL 185 9.727 3.546 32.732 1.00 0.00 ATOM 1332 N TYR 186 8.488 3.490 32.250 1.00 0.00 ATOM 1333 CA TYR 186 7.461 4.439 32.670 1.00 0.00 ATOM 1334 CB TYR 186 6.756 5.037 31.452 1.00 0.00 ATOM 1335 CG TYR 186 5.627 5.983 31.800 1.00 0.00 ATOM 1336 CD1 TYR 186 5.892 7.277 32.231 1.00 0.00 ATOM 1337 CD2 TYR 186 4.304 5.578 31.698 1.00 0.00 ATOM 1338 CE1 TYR 186 4.868 8.147 32.551 1.00 0.00 ATOM 1339 CE2 TYR 186 3.266 6.436 32.014 1.00 0.00 ATOM 1340 CZ TYR 186 3.559 7.730 32.444 1.00 0.00 ATOM 1341 OH TYR 186 2.538 8.595 32.763 1.00 0.00 ATOM 1342 O TYR 186 6.054 2.543 33.092 1.00 0.00 ATOM 1343 C TYR 186 6.506 3.608 33.519 1.00 0.00 ATOM 1344 N ILE 187 6.193 4.085 34.717 1.00 0.00 ATOM 1345 CA ILE 187 5.274 3.357 35.588 1.00 0.00 ATOM 1346 CB ILE 187 5.978 2.866 36.866 1.00 0.00 ATOM 1347 CG1 ILE 187 7.130 1.925 36.513 1.00 0.00 ATOM 1348 CG2 ILE 187 5.001 2.118 37.758 1.00 0.00 ATOM 1349 CD1 ILE 187 8.000 1.553 37.695 1.00 0.00 ATOM 1350 O ILE 187 4.389 5.339 36.572 1.00 0.00 ATOM 1351 C ILE 187 4.149 4.295 35.965 1.00 0.00 ATOM 1352 N GLY 188 2.926 3.900 35.629 1.00 0.00 ATOM 1353 CA GLY 188 1.758 4.711 35.908 1.00 0.00 ATOM 1354 O GLY 188 0.607 2.658 36.358 1.00 0.00 ATOM 1355 C GLY 188 0.561 3.890 36.341 1.00 0.00 ATOM 1356 N ASP 189 -0.541 4.580 36.622 1.00 0.00 ATOM 1357 CA ASP 189 -1.752 3.938 37.104 1.00 0.00 ATOM 1358 CB ASP 189 -2.035 4.347 38.551 1.00 0.00 ATOM 1359 CG ASP 189 -2.277 5.836 38.700 1.00 0.00 ATOM 1360 OD1 ASP 189 -2.298 6.541 37.668 1.00 0.00 ATOM 1361 OD2 ASP 189 -2.448 6.300 39.846 1.00 0.00 ATOM 1362 O ASP 189 -4.104 3.865 36.726 1.00 0.00 ATOM 1363 C ASP 189 -3.021 4.267 36.322 1.00 0.00 ATOM 1364 N SER 190 -2.897 5.044 35.251 1.00 0.00 ATOM 1365 CA SER 190 -4.054 5.407 34.442 1.00 0.00 ATOM 1366 CB SER 190 -4.284 6.919 34.482 1.00 0.00 ATOM 1367 OG SER 190 -3.209 7.614 33.873 1.00 0.00 ATOM 1368 O SER 190 -2.687 4.658 32.617 1.00 0.00 ATOM 1369 C SER 190 -3.815 4.982 33.010 1.00 0.00 ATOM 1370 N GLU 191 -4.875 5.031 32.214 1.00 0.00 ATOM 1371 CA GLU 191 -4.781 4.681 30.809 1.00 0.00 ATOM 1372 CB GLU 191 -6.164 4.709 30.154 1.00 0.00 ATOM 1373 CG GLU 191 -7.081 3.580 30.595 1.00 0.00 ATOM 1374 CD GLU 191 -8.479 3.709 30.026 1.00 0.00 ATOM 1375 OE1 GLU 191 -8.753 4.719 29.345 1.00 0.00 ATOM 1376 OE2 GLU 191 -9.303 2.798 30.258 1.00 0.00 ATOM 1377 O GLU 191 -3.115 5.285 29.186 1.00 0.00 ATOM 1378 C GLU 191 -3.877 5.673 30.076 1.00 0.00 ATOM 1379 N ILE 192 -3.939 6.944 30.467 1.00 0.00 ATOM 1380 CA ILE 192 -3.122 7.965 29.831 1.00 0.00 ATOM 1381 CB ILE 192 -3.518 9.377 30.301 1.00 0.00 ATOM 1382 CG1 ILE 192 -2.991 10.431 29.324 1.00 0.00 ATOM 1383 CG2 ILE 192 -2.936 9.663 31.678 1.00 0.00 ATOM 1384 CD1 ILE 192 -3.611 10.350 27.947 1.00 0.00 ATOM 1385 O ILE 192 -0.782 8.245 29.396 1.00 0.00 ATOM 1386 C ILE 192 -1.639 7.782 30.149 1.00 0.00 ATOM 1387 N ASP 193 -1.344 7.116 31.269 1.00 0.00 ATOM 1388 CA ASP 193 0.039 6.843 31.677 1.00 0.00 ATOM 1389 CB ASP 193 0.080 6.312 33.112 1.00 0.00 ATOM 1390 CG ASP 193 -0.206 7.390 34.139 1.00 0.00 ATOM 1391 OD1 ASP 193 -0.191 8.584 33.769 1.00 0.00 ATOM 1392 OD2 ASP 193 -0.444 7.041 35.315 1.00 0.00 ATOM 1393 O ASP 193 1.832 5.871 30.408 1.00 0.00 ATOM 1394 C ASP 193 0.649 5.801 30.748 1.00 0.00 ATOM 1395 N ILE 194 -0.160 4.814 30.377 1.00 0.00 ATOM 1396 CA ILE 194 0.271 3.742 29.487 1.00 0.00 ATOM 1397 CB ILE 194 -0.782 2.623 29.397 1.00 0.00 ATOM 1398 CG1 ILE 194 -0.903 1.895 30.736 1.00 0.00 ATOM 1399 CG2 ILE 194 -0.394 1.610 28.329 1.00 0.00 ATOM 1400 CD1 ILE 194 -2.091 0.962 30.819 1.00 0.00 ATOM 1401 O ILE 194 1.471 3.925 27.415 1.00 0.00 ATOM 1402 C ILE 194 0.505 4.293 28.083 1.00 0.00 ATOM 1403 N GLN 195 -0.366 5.197 27.646 1.00 0.00 ATOM 1404 CA GLN 195 -0.213 5.776 26.320 1.00 0.00 ATOM 1405 CB GLN 195 -1.434 6.626 25.962 1.00 0.00 ATOM 1406 CG GLN 195 -2.700 5.821 25.720 1.00 0.00 ATOM 1407 CD GLN 195 -3.902 6.699 25.430 1.00 0.00 ATOM 1408 OE1 GLN 195 -3.804 7.926 25.447 1.00 0.00 ATOM 1409 NE2 GLN 195 -5.041 6.072 25.164 1.00 0.00 ATOM 1410 O GLN 195 1.738 6.679 25.275 1.00 0.00 ATOM 1411 C GLN 195 1.019 6.660 26.267 1.00 0.00 ATOM 1412 N THR 196 1.326 7.289 27.395 1.00 0.00 ATOM 1413 CA THR 196 2.482 8.158 27.492 1.00 0.00 ATOM 1414 CB THR 196 2.510 8.914 28.832 1.00 0.00 ATOM 1415 CG2 THR 196 3.754 9.784 28.929 1.00 0.00 ATOM 1416 OG1 THR 196 1.350 9.750 28.936 1.00 0.00 ATOM 1417 O THR 196 4.635 7.646 26.585 1.00 0.00 ATOM 1418 C THR 196 3.756 7.333 27.383 1.00 0.00 ATOM 1419 N ALA 197 3.844 6.263 28.167 1.00 0.00 ATOM 1420 CA ALA 197 5.027 5.416 28.116 1.00 0.00 ATOM 1421 CB ALA 197 4.859 4.218 29.039 1.00 0.00 ATOM 1422 O ALA 197 6.470 4.886 26.283 1.00 0.00 ATOM 1423 C ALA 197 5.324 4.868 26.729 1.00 0.00 ATOM 1424 N ARG 198 4.287 4.392 26.045 1.00 0.00 ATOM 1425 CA ARG 198 4.419 3.827 24.698 1.00 0.00 ATOM 1426 CB ARG 198 3.120 3.141 24.276 1.00 0.00 ATOM 1427 CG ARG 198 2.833 1.844 25.015 1.00 0.00 ATOM 1428 CD ARG 198 1.493 1.256 24.603 1.00 0.00 ATOM 1429 NE ARG 198 1.203 0.009 25.307 1.00 0.00 ATOM 1430 CZ ARG 198 0.064 -0.665 25.191 1.00 0.00 ATOM 1431 NH1 ARG 198 -0.113 -1.789 25.872 1.00 0.00 ATOM 1432 NH2 ARG 198 -0.896 -0.214 24.395 1.00 0.00 ATOM 1433 O ARG 198 5.570 4.633 22.759 1.00 0.00 ATOM 1434 C ARG 198 4.736 4.873 23.626 1.00 0.00 ATOM 1435 N ASN 199 4.064 6.019 23.660 1.00 0.00 ATOM 1436 CA ASN 199 4.342 7.064 22.669 1.00 0.00 ATOM 1437 CB ASN 199 3.369 8.233 22.835 1.00 0.00 ATOM 1438 CG ASN 199 1.971 7.900 22.353 1.00 0.00 ATOM 1439 ND2 ASN 199 0.989 8.667 22.814 1.00 0.00 ATOM 1440 OD1 ASN 199 1.778 6.965 21.576 1.00 0.00 ATOM 1441 O ASN 199 6.396 8.131 21.954 1.00 0.00 ATOM 1442 C ASN 199 5.781 7.572 22.868 1.00 0.00 ATOM 1443 N SER 200 6.305 7.357 24.074 1.00 0.00 ATOM 1444 CA SER 200 7.656 7.776 24.432 1.00 0.00 ATOM 1445 CB SER 200 7.749 8.063 25.931 1.00 0.00 ATOM 1446 OG SER 200 6.904 9.140 26.298 1.00 0.00 ATOM 1447 O SER 200 9.894 6.921 24.326 1.00 0.00 ATOM 1448 C SER 200 8.702 6.712 24.105 1.00 0.00 ATOM 1449 N GLU 201 8.236 5.562 23.620 1.00 0.00 ATOM 1450 CA GLU 201 9.124 4.470 23.257 1.00 0.00 ATOM 1451 CB GLU 201 10.240 4.969 22.334 1.00 0.00 ATOM 1452 CG GLU 201 9.741 5.563 21.027 1.00 0.00 ATOM 1453 CD GLU 201 10.874 5.983 20.111 1.00 0.00 ATOM 1454 OE1 GLU 201 12.049 5.789 20.491 1.00 0.00 ATOM 1455 OE2 GLU 201 10.589 6.507 19.014 1.00 0.00 ATOM 1456 O GLU 201 10.870 3.187 24.243 1.00 0.00 ATOM 1457 C GLU 201 9.817 3.791 24.419 1.00 0.00 ATOM 1458 N MET 202 9.242 3.889 25.612 1.00 0.00 ATOM 1459 CA MET 202 9.841 3.267 26.783 1.00 0.00 ATOM 1460 CB MET 202 9.890 4.255 27.949 1.00 0.00 ATOM 1461 CG MET 202 10.766 5.471 27.694 1.00 0.00 ATOM 1462 SD MET 202 10.797 6.609 29.094 1.00 0.00 ATOM 1463 CE MET 202 9.150 7.307 29.000 1.00 0.00 ATOM 1464 O MET 202 7.951 1.793 26.781 1.00 0.00 ATOM 1465 C MET 202 9.060 2.044 27.249 1.00 0.00 ATOM 1466 N ASP 203 9.702 1.228 28.084 1.00 0.00 ATOM 1467 CA ASP 203 9.063 0.049 28.649 1.00 0.00 ATOM 1468 CB ASP 203 10.077 -0.779 29.443 1.00 0.00 ATOM 1469 CG ASP 203 9.510 -2.107 29.903 1.00 0.00 ATOM 1470 OD1 ASP 203 8.538 -2.099 30.687 1.00 0.00 ATOM 1471 OD2 ASP 203 10.039 -3.158 29.481 1.00 0.00 ATOM 1472 O ASP 203 8.190 1.423 30.428 1.00 0.00 ATOM 1473 C ASP 203 7.958 0.585 29.558 1.00 0.00 ATOM 1474 N GLU 204 6.743 0.119 29.315 1.00 0.00 ATOM 1475 CA GLU 204 5.596 0.617 30.034 1.00 0.00 ATOM 1476 CB GLU 204 4.482 1.009 29.061 1.00 0.00 ATOM 1477 CG GLU 204 3.199 1.463 29.737 1.00 0.00 ATOM 1478 CD GLU 204 3.401 2.682 30.616 1.00 0.00 ATOM 1479 OE1 GLU 204 3.850 3.724 30.091 1.00 0.00 ATOM 1480 OE2 GLU 204 3.116 2.594 31.828 1.00 0.00 ATOM 1481 O GLU 204 4.524 -1.444 30.651 1.00 0.00 ATOM 1482 C GLU 204 4.954 -0.357 31.022 1.00 0.00 ATOM 1483 N ILE 205 4.880 0.083 32.281 1.00 0.00 ATOM 1484 CA ILE 205 4.338 -0.707 33.386 1.00 0.00 ATOM 1485 CB ILE 205 5.378 -0.905 34.503 1.00 0.00 ATOM 1486 CG1 ILE 205 6.597 -1.663 33.970 1.00 0.00 ATOM 1487 CG2 ILE 205 4.781 -1.701 35.652 1.00 0.00 ATOM 1488 CD1 ILE 205 7.769 -1.682 34.926 1.00 0.00 ATOM 1489 O ILE 205 3.082 1.097 34.394 1.00 0.00 ATOM 1490 C ILE 205 3.108 -0.097 34.071 1.00 0.00 ATOM 1491 N ALA 206 2.117 -0.942 34.346 1.00 0.00 ATOM 1492 CA ALA 206 0.921 -0.488 35.039 1.00 0.00 ATOM 1493 CB ALA 206 -0.325 -0.890 34.266 1.00 0.00 ATOM 1494 O ALA 206 0.972 -2.279 36.639 1.00 0.00 ATOM 1495 C ALA 206 0.787 -1.070 36.445 1.00 0.00 ATOM 1496 N VAL 207 0.483 -0.210 37.421 1.00 0.00 ATOM 1497 CA VAL 207 0.287 -0.619 38.817 1.00 0.00 ATOM 1498 CB VAL 207 0.946 0.374 39.794 1.00 0.00 ATOM 1499 CG1 VAL 207 0.680 -0.040 41.233 1.00 0.00 ATOM 1500 CG2 VAL 207 2.450 0.416 39.574 1.00 0.00 ATOM 1501 O VAL 207 -1.926 0.297 38.762 1.00 0.00 ATOM 1502 C VAL 207 -1.216 -0.664 39.076 1.00 0.00 ATOM 1503 N ASN 208 -1.678 -1.728 39.735 1.00 0.00 ATOM 1504 CA ASN 208 -3.103 -1.917 40.017 1.00 0.00 ATOM 1505 CB ASN 208 -3.463 -3.405 39.991 1.00 0.00 ATOM 1506 CG ASN 208 -3.375 -4.000 38.600 1.00 0.00 ATOM 1507 ND2 ASN 208 -3.234 -5.320 38.531 1.00 0.00 ATOM 1508 OD1 ASN 208 -3.433 -3.283 37.603 1.00 0.00 ATOM 1509 O ASN 208 -4.460 -0.517 41.432 1.00 0.00 ATOM 1510 C ASN 208 -3.609 -1.404 41.374 1.00 0.00 ATOM 1511 N TRP 209 -3.115 -1.979 42.466 1.00 0.00 ATOM 1512 CA TRP 209 -3.557 -1.547 43.778 1.00 0.00 ATOM 1513 CB TRP 209 -2.958 -2.439 44.868 1.00 0.00 ATOM 1514 CG TRP 209 -3.507 -3.833 44.870 1.00 0.00 ATOM 1515 CD1 TRP 209 -2.880 -4.962 44.429 1.00 0.00 ATOM 1516 CD2 TRP 209 -4.796 -4.246 45.339 1.00 0.00 ATOM 1517 CE2 TRP 209 -4.881 -5.640 45.149 1.00 0.00 ATOM 1518 CE3 TRP 209 -5.887 -3.574 45.900 1.00 0.00 ATOM 1519 NE1 TRP 209 -3.698 -6.054 44.592 1.00 0.00 ATOM 1520 CZ2 TRP 209 -6.014 -6.372 45.501 1.00 0.00 ATOM 1521 CZ3 TRP 209 -7.007 -4.305 46.245 1.00 0.00 ATOM 1522 CH2 TRP 209 -7.066 -5.688 46.048 1.00 0.00 ATOM 1523 O TRP 209 -1.970 0.277 43.911 1.00 0.00 ATOM 1524 C TRP 209 -3.137 -0.104 44.073 1.00 0.00 ATOM 1525 N GLY 210 -4.114 0.709 44.459 1.00 0.00 ATOM 1526 CA GLY 210 -3.835 2.100 44.739 1.00 0.00 ATOM 1527 O GLY 210 -3.822 4.173 43.577 1.00 0.00 ATOM 1528 C GLY 210 -3.969 2.961 43.498 1.00 0.00 ATOM 1529 N PHE 211 -9.667 2.641 41.607 1.00 0.00 ATOM 1530 CA PHE 211 -10.470 3.629 42.308 1.00 0.00 ATOM 1531 CB PHE 211 -11.762 3.913 41.540 1.00 0.00 ATOM 1532 CG PHE 211 -12.637 4.948 42.188 1.00 0.00 ATOM 1533 CD1 PHE 211 -12.343 6.295 42.070 1.00 0.00 ATOM 1534 CD2 PHE 211 -13.755 4.574 42.914 1.00 0.00 ATOM 1535 CE1 PHE 211 -13.148 7.249 42.666 1.00 0.00 ATOM 1536 CE2 PHE 211 -14.560 5.527 43.510 1.00 0.00 ATOM 1537 CZ PHE 211 -14.260 6.859 43.388 1.00 0.00 ATOM 1538 O PHE 211 -11.952 3.638 44.170 1.00 0.00 ATOM 1539 C PHE 211 -10.892 3.232 43.708 1.00 0.00 ATOM 1540 N ARG 212 -10.080 2.430 44.380 1.00 0.00 ATOM 1541 CA ARG 212 -10.421 1.994 45.724 1.00 0.00 ATOM 1542 CB ARG 212 -10.292 0.475 45.846 1.00 0.00 ATOM 1543 CG ARG 212 -11.293 -0.302 45.005 1.00 0.00 ATOM 1544 CD ARG 212 -11.172 -1.797 45.244 1.00 0.00 ATOM 1545 NE ARG 212 -12.137 -2.559 44.454 1.00 0.00 ATOM 1546 CZ ARG 212 -12.172 -3.885 44.393 1.00 0.00 ATOM 1547 NH1 ARG 212 -13.086 -4.492 43.647 1.00 0.00 ATOM 1548 NH2 ARG 212 -11.291 -4.604 45.076 1.00 0.00 ATOM 1549 O ARG 212 -8.397 3.055 46.468 1.00 0.00 ATOM 1550 C ARG 212 -9.509 2.623 46.774 1.00 0.00 ATOM 1551 N SER 213 -10.010 2.748 47.997 1.00 0.00 ATOM 1552 CA SER 213 -9.195 3.286 49.094 1.00 0.00 ATOM 1553 CB SER 213 -10.085 3.958 50.141 1.00 0.00 ATOM 1554 OG SER 213 -10.898 3.007 50.807 1.00 0.00 ATOM 1555 O SER 213 -8.794 0.934 49.351 1.00 0.00 ATOM 1556 C SER 213 -8.467 2.073 49.685 1.00 0.00 ATOM 1557 N VAL 214 -7.467 2.301 50.528 1.00 0.00 ATOM 1558 CA VAL 214 -6.761 1.179 51.143 1.00 0.00 ATOM 1559 CB VAL 214 -5.656 1.665 52.098 1.00 0.00 ATOM 1560 CG1 VAL 214 -5.071 0.494 52.874 1.00 0.00 ATOM 1561 CG2 VAL 214 -4.534 2.333 51.320 1.00 0.00 ATOM 1562 O VAL 214 -7.753 -0.884 51.795 1.00 0.00 ATOM 1563 C VAL 214 -7.736 0.331 51.936 1.00 0.00 ATOM 1564 N PRO 215 -8.558 0.979 52.757 1.00 0.00 ATOM 1565 CA PRO 215 -9.535 0.264 53.567 1.00 0.00 ATOM 1566 CB PRO 215 -10.321 1.377 54.265 1.00 0.00 ATOM 1567 CG PRO 215 -9.359 2.512 54.359 1.00 0.00 ATOM 1568 CD PRO 215 -8.569 2.496 53.080 1.00 0.00 ATOM 1569 O PRO 215 -10.712 -1.757 53.030 1.00 0.00 ATOM 1570 C PRO 215 -10.448 -0.601 52.701 1.00 0.00 ATOM 1571 N PHE 216 -10.909 -0.054 51.583 1.00 0.00 ATOM 1572 CA PHE 216 -11.777 -0.816 50.699 1.00 0.00 ATOM 1573 CB PHE 216 -12.204 0.035 49.502 1.00 0.00 ATOM 1574 CG PHE 216 -13.153 1.144 49.855 1.00 0.00 ATOM 1575 CD1 PHE 216 -13.803 1.156 51.077 1.00 0.00 ATOM 1576 CD2 PHE 216 -13.396 2.177 48.965 1.00 0.00 ATOM 1577 CE1 PHE 216 -14.676 2.177 51.401 1.00 0.00 ATOM 1578 CE2 PHE 216 -14.270 3.197 49.290 1.00 0.00 ATOM 1579 CZ PHE 216 -14.908 3.201 50.503 1.00 0.00 ATOM 1580 O PHE 216 -11.705 -3.093 49.996 1.00 0.00 ATOM 1581 C PHE 216 -11.076 -2.059 50.162 1.00 0.00 ATOM 1582 N LEU 217 -9.770 -1.961 49.931 1.00 0.00 ATOM 1583 CA LEU 217 -8.993 -3.088 49.426 1.00 0.00 ATOM 1584 CB LEU 217 -7.615 -2.621 48.956 1.00 0.00 ATOM 1585 CG LEU 217 -7.587 -1.749 47.699 1.00 0.00 ATOM 1586 CD1 LEU 217 -6.187 -1.211 47.447 1.00 0.00 ATOM 1587 CD2 LEU 217 -8.014 -2.552 46.479 1.00 0.00 ATOM 1588 O LEU 217 -8.976 -5.325 50.281 1.00 0.00 ATOM 1589 C LEU 217 -8.799 -4.136 50.521 1.00 0.00 ATOM 1590 N GLN 218 -8.456 -3.679 51.722 1.00 0.00 ATOM 1591 CA GLN 218 -8.231 -4.557 52.874 1.00 0.00 ATOM 1592 CB GLN 218 -7.677 -3.759 54.056 1.00 0.00 ATOM 1593 CG GLN 218 -6.254 -3.263 53.858 1.00 0.00 ATOM 1594 CD GLN 218 -5.764 -2.424 55.022 1.00 0.00 ATOM 1595 OE1 GLN 218 -6.502 -2.172 55.973 1.00 0.00 ATOM 1596 NE2 GLN 218 -4.510 -1.989 54.948 1.00 0.00 ATOM 1597 O GLN 218 -9.426 -6.350 53.931 1.00 0.00 ATOM 1598 C GLN 218 -9.499 -5.258 53.367 1.00 0.00 ATOM 1599 N LYS 219 -10.653 -4.631 53.150 1.00 0.00 ATOM 1600 CA LYS 219 -11.929 -5.179 53.605 1.00 0.00 ATOM 1601 CB LYS 219 -12.781 -4.085 54.253 1.00 0.00 ATOM 1602 CG LYS 219 -12.176 -3.492 55.515 1.00 0.00 ATOM 1603 CD LYS 219 -13.075 -2.422 56.108 1.00 0.00 ATOM 1604 CE LYS 219 -12.443 -1.787 57.338 1.00 0.00 ATOM 1605 NZ LYS 219 -13.332 -0.769 57.957 1.00 0.00 ATOM 1606 O LYS 219 -13.885 -6.342 52.859 1.00 0.00 ATOM 1607 C LYS 219 -12.823 -5.800 52.539 1.00 0.00 ATOM 1608 N HIS 220 -12.420 -5.713 51.276 1.00 0.00 ATOM 1609 CA HIS 220 -13.229 -6.279 50.204 1.00 0.00 ATOM 1610 CB HIS 220 -12.795 -5.716 48.850 1.00 0.00 ATOM 1611 CG HIS 220 -13.703 -6.091 47.721 1.00 0.00 ATOM 1612 CD2 HIS 220 -14.819 -5.459 47.032 1.00 0.00 ATOM 1613 ND1 HIS 220 -13.600 -7.291 47.051 1.00 0.00 ATOM 1614 CE1 HIS 220 -14.545 -7.339 46.094 1.00 0.00 ATOM 1615 NE2 HIS 220 -15.280 -6.244 46.079 1.00 0.00 ATOM 1616 O HIS 220 -12.071 -8.376 50.488 1.00 0.00 ATOM 1617 C HIS 220 -13.103 -7.798 50.136 1.00 0.00 ATOM 1618 N GLY 221 -14.196 -8.427 49.722 1.00 0.00 ATOM 1619 CA GLY 221 -14.269 -9.869 49.549 1.00 0.00 ATOM 1620 O GLY 221 -13.235 -9.656 47.410 1.00 0.00 ATOM 1621 C GLY 221 -13.237 -10.235 48.489 1.00 0.00 ATOM 1622 N ALA 222 0.290 -1.396 27.946 1.00 0.00 ATOM 1623 CA ALA 222 1.219 -1.905 28.950 1.00 0.00 ATOM 1624 CB ALA 222 0.462 -2.381 30.181 1.00 0.00 ATOM 1625 O ALA 222 1.569 -4.003 27.860 1.00 0.00 ATOM 1626 C ALA 222 2.072 -3.085 28.491 1.00 0.00 ATOM 1627 N THR 223 3.378 -3.013 28.725 1.00 0.00 ATOM 1628 CA THR 223 4.254 -4.140 28.388 1.00 0.00 ATOM 1629 CB THR 223 5.716 -3.686 28.213 1.00 0.00 ATOM 1630 CG2 THR 223 6.603 -4.871 27.862 1.00 0.00 ATOM 1631 OG1 THR 223 5.796 -2.719 27.159 1.00 0.00 ATOM 1632 O THR 223 4.023 -6.309 29.407 1.00 0.00 ATOM 1633 C THR 223 4.110 -5.090 29.569 1.00 0.00 ATOM 1634 N VAL 224 3.979 -4.502 30.755 1.00 0.00 ATOM 1635 CA VAL 224 3.861 -5.267 31.976 1.00 0.00 ATOM 1636 CB VAL 224 5.187 -5.293 32.757 1.00 0.00 ATOM 1637 CG1 VAL 224 6.274 -5.974 31.940 1.00 0.00 ATOM 1638 CG2 VAL 224 5.644 -3.877 33.080 1.00 0.00 ATOM 1639 O VAL 224 2.412 -3.555 32.844 1.00 0.00 ATOM 1640 C VAL 224 2.811 -4.722 32.930 1.00 0.00 ATOM 1641 N ILE 225 2.327 -5.598 33.808 1.00 0.00 ATOM 1642 CA ILE 225 1.334 -5.226 34.817 1.00 0.00 ATOM 1643 CB ILE 225 -0.061 -5.781 34.466 1.00 0.00 ATOM 1644 CG1 ILE 225 -0.537 -5.220 33.126 1.00 0.00 ATOM 1645 CG2 ILE 225 -1.070 -5.396 35.537 1.00 0.00 ATOM 1646 CD1 ILE 225 -1.801 -5.870 32.606 1.00 0.00 ATOM 1647 O ILE 225 2.115 -6.969 36.290 1.00 0.00 ATOM 1648 C ILE 225 1.755 -5.790 36.171 1.00 0.00 ATOM 1649 N VAL 226 1.756 -4.920 37.173 1.00 0.00 ATOM 1650 CA VAL 226 2.139 -5.296 38.527 1.00 0.00 ATOM 1651 CB VAL 226 3.430 -4.578 38.967 1.00 0.00 ATOM 1652 CG1 VAL 226 4.596 -4.987 38.079 1.00 0.00 ATOM 1653 CG2 VAL 226 3.261 -3.069 38.872 1.00 0.00 ATOM 1654 O VAL 226 0.332 -3.911 39.278 1.00 0.00 ATOM 1655 C VAL 226 1.017 -4.912 39.483 1.00 0.00 ATOM 1656 N ASP 227 0.826 -5.707 40.529 1.00 0.00 ATOM 1657 CA ASP 227 -0.229 -5.415 41.482 1.00 0.00 ATOM 1658 CB ASP 227 -0.551 -6.653 42.321 1.00 0.00 ATOM 1659 CG ASP 227 -1.141 -7.779 41.494 1.00 0.00 ATOM 1660 OD1 ASP 227 -2.127 -7.530 40.769 1.00 0.00 ATOM 1661 OD2 ASP 227 -0.616 -8.910 41.571 1.00 0.00 ATOM 1662 O ASP 227 -0.688 -3.514 42.864 1.00 0.00 ATOM 1663 C ASP 227 0.158 -4.300 42.441 1.00 0.00 ATOM 1664 N THR 228 1.444 -4.234 42.765 1.00 0.00 ATOM 1665 CA THR 228 1.987 -3.194 43.634 1.00 0.00 ATOM 1666 CB THR 228 2.067 -3.667 45.098 1.00 0.00 ATOM 1667 CG2 THR 228 0.705 -4.141 45.580 1.00 0.00 ATOM 1668 OG1 THR 228 2.999 -4.750 45.204 1.00 0.00 ATOM 1669 O THR 228 3.897 -3.629 42.257 1.00 0.00 ATOM 1670 C THR 228 3.379 -2.894 43.095 1.00 0.00 ATOM 1671 N ALA 229 3.990 -1.835 43.614 1.00 0.00 ATOM 1672 CA ALA 229 5.324 -1.429 43.206 1.00 0.00 ATOM 1673 CB ALA 229 5.704 -0.114 43.870 1.00 0.00 ATOM 1674 O ALA 229 7.491 -2.425 43.026 1.00 0.00 ATOM 1675 C ALA 229 6.398 -2.454 43.581 1.00 0.00 ATOM 1676 N GLU 230 6.088 -3.355 44.511 1.00 0.00 ATOM 1677 CA GLU 230 7.041 -4.373 44.955 1.00 0.00 ATOM 1678 CB GLU 230 6.436 -5.223 46.075 1.00 0.00 ATOM 1679 CG GLU 230 6.260 -4.483 47.390 1.00 0.00 ATOM 1680 CD GLU 230 5.592 -5.333 48.451 1.00 0.00 ATOM 1681 OE1 GLU 230 5.193 -6.474 48.136 1.00 0.00 ATOM 1682 OE2 GLU 230 5.466 -4.858 49.600 1.00 0.00 ATOM 1683 O GLU 230 8.406 -6.114 44.050 1.00 0.00 ATOM 1684 C GLU 230 7.473 -5.344 43.858 1.00 0.00 ATOM 1685 N LYS 231 6.784 -5.315 42.721 1.00 0.00 ATOM 1686 CA LYS 231 7.102 -6.198 41.602 1.00 0.00 ATOM 1687 CB LYS 231 5.820 -6.720 40.950 1.00 0.00 ATOM 1688 CG LYS 231 4.969 -7.591 41.862 1.00 0.00 ATOM 1689 CD LYS 231 3.720 -8.081 41.149 1.00 0.00 ATOM 1690 CE LYS 231 2.842 -8.902 42.078 1.00 0.00 ATOM 1691 NZ LYS 231 1.634 -9.428 41.379 1.00 0.00 ATOM 1692 O LYS 231 8.333 -6.147 39.541 1.00 0.00 ATOM 1693 C LYS 231 7.914 -5.503 40.508 1.00 0.00 ATOM 1694 N LEU 232 8.136 -4.199 40.673 1.00 0.00 ATOM 1695 CA LEU 232 8.888 -3.394 39.710 1.00 0.00 ATOM 1696 CB LEU 232 9.119 -1.984 40.256 1.00 0.00 ATOM 1697 CG LEU 232 9.906 -1.030 39.357 1.00 0.00 ATOM 1698 CD1 LEU 232 9.157 -0.776 38.057 1.00 0.00 ATOM 1699 CD2 LEU 232 10.123 0.307 40.048 1.00 0.00 ATOM 1700 O LEU 232 10.649 -4.082 38.229 1.00 0.00 ATOM 1701 C LEU 232 10.257 -3.990 39.395 1.00 0.00 ATOM 1702 N GLU 233 10.972 -4.387 40.447 1.00 0.00 ATOM 1703 CA GLU 233 12.301 -4.989 40.328 1.00 0.00 ATOM 1704 CB GLU 233 12.810 -5.439 41.699 1.00 0.00 ATOM 1705 CG GLU 233 13.175 -4.296 42.631 1.00 0.00 ATOM 1706 CD GLU 233 13.556 -4.773 44.019 1.00 0.00 ATOM 1707 OE1 GLU 233 13.462 -5.994 44.274 1.00 0.00 ATOM 1708 OE2 GLU 233 13.946 -3.928 44.851 1.00 0.00 ATOM 1709 O GLU 233 13.162 -6.400 38.588 1.00 0.00 ATOM 1710 C GLU 233 12.267 -6.208 39.408 1.00 0.00 ATOM 1711 N GLU 234 11.232 -7.033 39.564 1.00 0.00 ATOM 1712 CA GLU 234 11.055 -8.242 38.750 1.00 0.00 ATOM 1713 CB GLU 234 9.832 -9.030 39.222 1.00 0.00 ATOM 1714 CG GLU 234 10.011 -9.704 40.573 1.00 0.00 ATOM 1715 CD GLU 234 8.741 -10.372 41.064 1.00 0.00 ATOM 1716 OE1 GLU 234 7.702 -10.246 40.381 1.00 0.00 ATOM 1717 OE2 GLU 234 8.785 -11.023 42.128 1.00 0.00 ATOM 1718 O GLU 234 11.330 -8.689 36.412 1.00 0.00 ATOM 1719 C GLU 234 10.850 -7.948 37.264 1.00 0.00 ATOM 1720 N ALA 235 10.116 -6.880 36.965 1.00 0.00 ATOM 1721 CA ALA 235 9.871 -6.467 35.590 1.00 0.00 ATOM 1722 CB ALA 235 8.865 -5.326 35.550 1.00 0.00 ATOM 1723 O ALA 235 11.479 -6.277 33.810 1.00 0.00 ATOM 1724 C ALA 235 11.196 -6.002 34.979 1.00 0.00 ATOM 1725 N ILE 236 12.016 -5.330 35.786 1.00 0.00 ATOM 1726 CA ILE 236 13.320 -4.845 35.335 1.00 0.00 ATOM 1727 CB ILE 236 14.019 -4.012 36.426 1.00 0.00 ATOM 1728 CG1 ILE 236 13.262 -2.705 36.668 1.00 0.00 ATOM 1729 CG2 ILE 236 15.442 -3.675 36.007 1.00 0.00 ATOM 1730 CD1 ILE 236 13.718 -1.955 37.899 1.00 0.00 ATOM 1731 O ILE 236 14.905 -5.955 33.928 1.00 0.00 ATOM 1732 C ILE 236 14.260 -5.989 34.970 1.00 0.00 ATOM 1733 N LEU 237 14.351 -6.985 35.847 1.00 0.00 ATOM 1734 CA LEU 237 15.197 -8.149 35.612 1.00 0.00 ATOM 1735 CB LEU 237 15.135 -9.104 36.807 1.00 0.00 ATOM 1736 CG LEU 237 15.794 -8.618 38.098 1.00 0.00 ATOM 1737 CD1 LEU 237 15.506 -9.575 39.242 1.00 0.00 ATOM 1738 CD2 LEU 237 17.303 -8.521 37.929 1.00 0.00 ATOM 1739 O LEU 237 15.492 -9.230 33.503 1.00 0.00 ATOM 1740 C LEU 237 14.699 -8.863 34.367 1.00 0.00 ATOM 1741 N GLY 238 13.378 -8.990 34.234 1.00 0.00 ATOM 1742 CA GLY 238 12.811 -9.633 33.059 1.00 0.00 ATOM 1743 O GLY 238 13.743 -9.518 30.858 1.00 0.00 ATOM 1744 C GLY 238 13.238 -8.896 31.789 1.00 0.00 ENDMDL EXPDTA 2hi0A MODEL 2 REMARK 44 REMARK 44 model 2 is called 2hi0A ATOM 1 N MET A 1 22.227 -3.253 33.816 1.00 0.00 ATOM 2 CA MET A 1 20.974 -2.807 34.431 1.00 0.00 ATOM 3 CB MET A 1 21.106 -1.366 34.921 1.00 0.00 ATOM 4 CG MET A 1 22.179 -1.250 35.977 1.00 0.00 ATOM 5 SD MET A 1 22.315 0.571 36.589 1.00 0.00 ATOM 6 CE MET A 1 20.534 0.731 37.197 1.00 0.00 ATOM 7 O MET A 1 20.051 -2.408 32.291 1.00 0.00 ATOM 8 C MET A 1 19.880 -2.883 33.417 1.00 0.00 ATOM 9 N LYS A 2 18.742 -3.445 33.795 1.00 0.00 ATOM 10 CA LYS A 2 17.627 -3.467 32.887 1.00 0.00 ATOM 11 CB LYS A 2 16.437 -4.261 33.445 1.00 0.00 ATOM 12 CG LYS A 2 15.411 -4.558 32.377 1.00 0.00 ATOM 13 CD LYS A 2 14.277 -5.429 32.844 1.00 0.00 ATOM 14 CE LYS A 2 13.419 -5.739 31.599 1.00 0.00 ATOM 15 NZ LYS A 2 12.359 -6.754 31.849 1.00 0.00 ATOM 16 O LYS A 2 17.086 -1.700 31.354 1.00 0.00 ATOM 17 C LYS A 2 17.238 -2.022 32.526 1.00 0.00 ATOM 18 N TYR A 3 17.064 -1.171 33.552 1.00 0.00 ATOM 19 CA TYR A 3 16.695 0.208 33.374 1.00 0.00 ATOM 20 CB TYR A 3 15.215 0.454 33.694 1.00 0.00 ATOM 21 CG TYR A 3 14.260 -0.377 32.881 1.00 0.00 ATOM 22 CD1 TYR A 3 14.202 -0.254 31.484 1.00 0.00 ATOM 23 CD2 TYR A 3 13.452 -1.339 33.484 1.00 0.00 ATOM 24 CE1 TYR A 3 13.298 -1.018 30.743 1.00 0.00 ATOM 25 CE2 TYR A 3 12.598 -2.126 32.735 1.00 0.00 ATOM 26 CZ TYR A 3 12.535 -1.969 31.368 1.00 0.00 ATOM 27 OH TYR A 3 11.668 -2.749 30.605 1.00 0.00 ATOM 28 O TYR A 3 17.729 0.789 35.472 1.00 0.00 ATOM 29 C TYR A 3 17.587 1.051 34.268 1.00 0.00 ATOM 30 N LYS A 4 18.194 2.079 33.673 1.00 0.00 ATOM 31 CA LYS A 4 18.975 3.065 34.410 1.00 0.00 ATOM 32 CB LYS A 4 20.100 3.588 33.511 1.00 0.00 ATOM 33 CG LYS A 4 21.093 2.511 33.130 1.00 0.00 ATOM 34 CD LYS A 4 22.164 3.088 32.218 1.00 0.00 ATOM 35 CE LYS A 4 23.057 2.035 31.580 1.00 0.00 ATOM 36 NZ LYS A 4 23.764 2.695 30.419 1.00 0.00 ATOM 37 O LYS A 4 18.531 5.017 35.751 1.00 0.00 ATOM 38 C LYS A 4 18.098 4.241 34.912 1.00 0.00 ATOM 39 N ALA A 5 16.880 4.374 34.389 1.00 0.00 ATOM 40 CA ALA A 5 15.950 5.424 34.834 1.00 0.00 ATOM 41 CB ALA A 5 15.986 6.651 33.911 1.00 0.00 ATOM 42 O ALA A 5 14.122 4.132 34.058 1.00 0.00 ATOM 43 C ALA A 5 14.543 4.868 34.928 1.00 0.00 ATOM 44 N ALA A 6 13.822 5.239 35.994 1.00 0.00 ATOM 45 CA ALA A 6 12.401 4.848 36.186 1.00 0.00 ATOM 46 CB ALA A 6 12.199 3.946 37.453 1.00 0.00 ATOM 47 O ALA A 6 11.957 6.957 37.203 1.00 0.00 ATOM 48 C ALA A 6 11.647 6.150 36.335 1.00 0.00 ATOM 49 N ILE A 7 10.701 6.346 35.424 1.00 0.00 ATOM 50 CA ILE A 7 9.917 7.571 35.291 1.00 0.00 ATOM 51 CB ILE A 7 9.976 8.109 33.862 1.00 0.00 ATOM 52 CG1 ILE A 7 11.410 8.302 33.407 1.00 0.00 ATOM 53 CG2 ILE A 7 9.227 9.446 33.777 1.00 0.00 ATOM 54 CD1 ILE A 7 11.471 8.639 31.867 1.00 0.00 ATOM 55 O ILE A 7 7.868 6.343 35.017 1.00 0.00 ATOM 56 C ILE A 7 8.487 7.201 35.673 1.00 0.00 ATOM 57 N PHE A 8 7.981 7.829 36.741 1.00 0.00 ATOM 58 CA PHE A 8 6.693 7.493 37.333 1.00 0.00 ATOM 59 CB PHE A 8 6.782 7.400 38.853 1.00 0.00 ATOM 60 CG PHE A 8 7.702 6.322 39.352 1.00 0.00 ATOM 61 CD1 PHE A 8 9.066 6.516 39.389 1.00 0.00 ATOM 62 CD2 PHE A 8 7.199 5.096 39.713 1.00 0.00 ATOM 63 CE1 PHE A 8 9.899 5.523 39.846 1.00 0.00 ATOM 64 CE2 PHE A 8 8.057 4.107 40.192 1.00 0.00 ATOM 65 CZ PHE A 8 9.387 4.330 40.232 1.00 0.00 ATOM 66 O PHE A 8 5.923 9.797 37.160 1.00 0.00 ATOM 67 C PHE A 8 5.652 8.587 37.058 1.00 0.00 ATOM 68 N ASP A 9 4.451 8.142 36.758 1.00 0.00 ATOM 69 CA ASP A 9 3.255 9.008 36.936 1.00 0.00 ATOM 70 CB ASP A 9 2.036 8.353 36.310 1.00 0.00 ATOM 71 CG ASP A 9 0.841 9.289 36.234 1.00 0.00 ATOM 72 OD1 ASP A 9 0.990 10.525 36.102 1.00 0.00 ATOM 73 OD2 ASP A 9 -0.271 8.757 36.345 1.00 0.00 ATOM 74 O ASP A 9 3.603 8.499 39.294 1.00 0.00 ATOM 75 C ASP A 9 3.021 9.206 38.458 1.00 0.00 ATOM 76 N MET A 10 2.246 10.215 38.837 1.00 0.00 ATOM 77 CA MET A 10 1.992 10.531 40.239 1.00 0.00 ATOM 78 CB MET A 10 2.023 12.045 40.471 1.00 0.00 ATOM 79 CG MET A 10 1.622 12.439 41.847 1.00 0.00 ATOM 80 SD MET A 10 2.158 14.231 42.253 1.00 0.00 ATOM 81 CE MET A 10 4.007 14.047 42.799 1.00 0.00 ATOM 82 O MET A 10 0.674 9.017 41.575 1.00 0.00 ATOM 83 C MET A 10 0.659 9.922 40.711 1.00 0.00 ATOM 84 N ASP A 11 -0.459 10.416 40.151 1.00 0.00 ATOM 85 CA ASP A 11 -1.808 10.006 40.579 1.00 0.00 ATOM 86 CB ASP A 11 -2.899 10.740 39.792 1.00 0.00 ATOM 87 CG ASP A 11 -2.998 12.182 40.116 1.00 0.00 ATOM 88 OD1 ASP A 11 -3.308 12.549 41.246 1.00 0.00 ATOM 89 OD2 ASP A 11 -2.807 12.993 39.178 1.00 0.00 ATOM 90 O ASP A 11 -1.786 8.016 39.297 1.00 0.00 ATOM 91 C ASP A 11 -2.031 8.523 40.387 1.00 0.00 ATOM 92 N GLY A 12 -2.418 7.807 41.439 1.00 0.00 ATOM 93 CA GLY A 12 -2.746 6.381 41.278 1.00 0.00 ATOM 94 O GLY A 12 -1.689 4.262 40.980 1.00 0.00 ATOM 95 C GLY A 12 -1.548 5.466 41.153 1.00 0.00 ATOM 96 N THR A 13 -0.349 6.030 41.230 1.00 0.00 ATOM 97 CA THR A 13 0.866 5.308 40.956 1.00 0.00 ATOM 98 CB THR A 13 1.559 5.794 39.653 1.00 0.00 ATOM 99 CG2 THR A 13 2.741 4.975 39.357 1.00 0.00 ATOM 100 OG1 THR A 13 0.612 5.696 38.560 1.00 0.00 ATOM 101 O THR A 13 2.005 4.455 42.874 1.00 0.00 ATOM 102 C THR A 13 1.761 5.431 42.172 1.00 0.00 ATOM 103 N ILE A 14 2.265 6.634 42.455 1.00 0.00 ATOM 104 CA ILE A 14 3.069 6.807 43.662 1.00 0.00 ATOM 105 CB ILE A 14 4.409 7.493 43.384 1.00 0.00 ATOM 106 CG1 ILE A 14 4.223 8.955 42.909 1.00 0.00 ATOM 107 CG2 ILE A 14 5.258 6.624 42.402 1.00 0.00 ATOM 108 CD1 ILE A 14 5.576 9.742 42.714 1.00 0.00 ATOM 109 O ILE A 14 2.661 7.235 45.975 1.00 0.00 ATOM 110 C ILE A 14 2.335 7.473 44.840 1.00 0.00 ATOM 111 N LEU A 15 1.304 8.260 44.513 1.00 0.00 ATOM 112 CA LEU A 15 0.500 9.000 45.489 1.00 0.00 ATOM 113 CB LEU A 15 0.652 10.520 45.332 1.00 0.00 ATOM 114 CG LEU A 15 1.996 11.070 45.835 1.00 0.00 ATOM 115 CD1 LEU A 15 2.000 12.570 45.682 1.00 0.00 ATOM 116 CD2 LEU A 15 2.264 10.731 47.303 1.00 0.00 ATOM 117 O LEU A 15 -1.545 8.593 44.277 1.00 0.00 ATOM 118 C LEU A 15 -0.981 8.632 45.375 1.00 0.00 ATOM 119 N ASP A 16 -1.590 8.411 46.546 1.00 0.00 ATOM 120 CA ASP A 16 -2.992 8.071 46.712 1.00 0.00 ATOM 121 CB ASP A 16 -3.113 7.253 47.988 1.00 0.00 ATOM 122 CG ASP A 16 -4.468 6.682 48.212 1.00 0.00 ATOM 123 OD1 ASP A 16 -5.438 7.078 47.527 1.00 0.00 ATOM 124 OD2 ASP A 16 -4.503 5.827 49.124 1.00 0.00 ATOM 125 O ASP A 16 -3.909 10.009 47.876 1.00 0.00 ATOM 126 C ASP A 16 -3.746 9.422 46.794 1.00 0.00 ATOM 127 N THR A 17 -4.194 9.917 45.628 1.00 0.00 ATOM 128 CA THR A 17 -4.719 11.295 45.481 1.00 0.00 ATOM 129 CB THR A 17 -4.061 11.962 44.232 1.00 0.00 ATOM 130 CG2 THR A 17 -2.545 12.205 44.408 1.00 0.00 ATOM 131 OG1 THR A 17 -4.244 11.125 43.122 1.00 0.00 ATOM 132 O THR A 17 -6.752 12.536 45.252 1.00 0.00 ATOM 133 C THR A 17 -6.225 11.413 45.300 1.00 0.00 ATOM 134 N SER A 18 -6.923 10.269 45.105 1.00 0.00 ATOM 135 CA SER A 18 -8.317 10.368 44.653 1.00 0.00 ATOM 136 CB SER A 18 -8.843 8.986 44.311 1.00 0.00 ATOM 137 OG SER A 18 -8.643 8.057 45.347 1.00 0.00 ATOM 138 O SER A 18 -10.109 11.781 45.249 1.00 0.00 ATOM 139 C SER A 18 -9.236 11.055 45.645 1.00 0.00 ATOM 140 N ALA A 19 -8.998 10.878 46.941 1.00 0.00 ATOM 141 CA ALA A 19 -9.865 11.564 47.917 1.00 0.00 ATOM 142 CB ALA A 19 -9.581 11.111 49.358 1.00 0.00 ATOM 143 O ALA A 19 -10.791 13.768 47.805 1.00 0.00 ATOM 144 C ALA A 19 -9.764 13.076 47.834 1.00 0.00 ATOM 145 N ASP A 20 -8.539 13.616 47.793 1.00 0.00 ATOM 146 CA ASP A 20 -8.331 15.071 47.771 1.00 0.00 ATOM 147 CB ASP A 20 -6.854 15.436 48.017 1.00 0.00 ATOM 148 CG ASP A 20 -6.433 15.315 49.494 1.00 0.00 ATOM 149 OD1 ASP A 20 -7.286 15.248 50.410 1.00 0.00 ATOM 150 OD2 ASP A 20 -5.208 15.299 49.779 1.00 0.00 ATOM 151 O ASP A 20 -9.367 16.737 46.358 1.00 0.00 ATOM 152 C ASP A 20 -8.814 15.630 46.435 1.00 0.00 ATOM 153 N LEU A 21 -8.627 14.861 45.360 1.00 0.00 ATOM 154 CA LEU A 21 -9.148 15.308 44.052 1.00 0.00 ATOM 155 CB LEU A 21 -8.705 14.349 42.918 1.00 0.00 ATOM 156 CG LEU A 21 -7.259 14.437 42.467 1.00 0.00 ATOM 157 CD1 LEU A 21 -6.975 13.213 41.579 1.00 0.00 ATOM 158 CD2 LEU A 21 -6.882 15.706 41.729 1.00 0.00 ATOM 159 O LEU A 21 -11.278 16.393 43.492 1.00 0.00 ATOM 160 C LEU A 21 -10.694 15.449 44.050 1.00 0.00 ATOM 161 N THR A 22 -11.326 14.470 44.702 1.00 0.00 ATOM 162 CA THR A 22 -12.784 14.382 44.820 1.00 0.00 ATOM 163 CB THR A 22 -13.174 13.026 45.468 1.00 0.00 ATOM 164 CG2 THR A 22 -14.676 12.913 45.670 1.00 0.00 ATOM 165 OG1 THR A 22 -12.769 11.960 44.596 1.00 0.00 ATOM 166 O THR A 22 -14.206 16.255 45.185 1.00 0.00 ATOM 167 C THR A 22 -13.302 15.575 45.607 1.00 0.00 ATOM 168 N SER A 23 -12.706 15.822 46.769 1.00 0.00 ATOM 169 CA SER A 23 -13.097 16.946 47.601 1.00 0.00 ATOM 170 CB SER A 23 -12.244 16.951 48.875 1.00 0.00 ATOM 171 OG SER A 23 -12.665 17.993 49.726 1.00 0.00 ATOM 172 O SER A 23 -13.835 19.145 46.907 1.00 0.00 ATOM 173 C SER A 23 -12.953 18.278 46.850 1.00 0.00 ATOM 174 N ALA A 24 -11.829 18.469 46.158 1.00 0.00 ATOM 175 CA ALA A 24 -11.561 19.705 45.440 1.00 0.00 ATOM 176 CB ALA A 24 -10.106 19.769 45.005 1.00 0.00 ATOM 177 O ALA A 24 -12.998 20.958 43.964 1.00 0.00 ATOM 178 C ALA A 24 -12.506 19.862 44.242 1.00 0.00 ATOM 179 N LEU A 25 -12.773 18.777 43.507 1.00 0.00 ATOM 180 CA LEU A 25 -13.704 18.825 42.370 1.00 0.00 ATOM 181 CB LEU A 25 -13.769 17.523 41.505 1.00 0.00 ATOM 182 CG LEU A 25 -14.376 17.644 40.077 1.00 0.00 ATOM 183 CD1 LEU A 25 -13.571 18.614 39.227 1.00 0.00 ATOM 184 CD2 LEU A 25 -14.407 16.232 39.465 1.00 0.00 ATOM 185 O LEU A 25 -15.770 20.030 42.260 1.00 0.00 ATOM 186 C LEU A 25 -15.102 19.192 42.855 1.00 0.00 ATOM 187 N ASN A 26 -15.569 18.538 43.904 1.00 0.00 ATOM 188 CA ASN A 26 -16.878 18.830 44.436 1.00 0.00 ATOM 189 CB ASN A 26 -17.290 17.842 45.529 1.00 0.00 ATOM 190 CG ASN A 26 -17.725 16.490 44.975 1.00 0.00 ATOM 191 ND2 ASN A 26 -17.460 15.429 45.738 1.00 0.00 ATOM 192 OD1 ASN A 26 -18.273 16.399 43.877 1.00 0.00 ATOM 193 O ASN A 26 -17.997 20.939 44.702 1.00 0.00 ATOM 194 C ASN A 26 -16.996 20.263 44.953 1.00 0.00 ATOM 195 N TYR A 27 -15.937 20.752 45.621 1.00 0.00 ATOM 196 CA TYR A 27 -15.870 22.167 46.030 1.00 0.00 ATOM 197 CB TYR A 27 -14.562 22.464 46.765 1.00 0.00 ATOM 198 CG TYR A 27 -14.444 23.930 47.210 1.00 0.00 ATOM 199 CD1 TYR A 27 -14.953 24.346 48.438 1.00 0.00 ATOM 200 CD2 TYR A 27 -13.802 24.837 46.429 1.00 0.00 ATOM 201 CE1 TYR A 27 -14.848 25.660 48.825 1.00 0.00 ATOM 202 CE2 TYR A 27 -13.707 26.157 46.792 1.00 0.00 ATOM 203 CZ TYR A 27 -14.227 26.563 48.010 1.00 0.00 ATOM 204 OH TYR A 27 -14.108 27.868 48.423 1.00 0.00 ATOM 205 O TYR A 27 -16.868 24.060 44.911 1.00 0.00 ATOM 206 C TYR A 27 -16.060 23.139 44.855 1.00 0.00 ATOM 207 N ALA A 28 -15.269 22.926 43.790 1.00 0.00 ATOM 208 CA ALA A 28 -15.259 23.770 42.588 1.00 0.00 ATOM 209 CB ALA A 28 -14.171 23.261 41.612 1.00 0.00 ATOM 210 O ALA A 28 -17.152 24.792 41.438 1.00 0.00 ATOM 211 C ALA A 28 -16.625 23.770 41.898 1.00 0.00 ATOM 212 N PHE A 29 -17.192 22.579 41.751 1.00 0.00 ATOM 213 CA PHE A 29 -18.519 22.384 41.172 1.00 0.00 ATOM 214 CB PHE A 29 -18.870 20.887 41.019 1.00 0.00 ATOM 215 CG PHE A 29 -18.530 20.329 39.620 1.00 0.00 ATOM 216 CD1 PHE A 29 -17.248 20.441 39.154 1.00 0.00 ATOM 217 CD2 PHE A 29 -19.499 19.785 38.774 1.00 0.00 ATOM 218 CE1 PHE A 29 -16.863 20.000 37.917 1.00 0.00 ATOM 219 CE2 PHE A 29 -19.127 19.349 37.497 1.00 0.00 ATOM 220 CZ PHE A 29 -17.802 19.466 37.081 1.00 0.00 ATOM 221 O PHE A 29 -20.391 23.849 41.477 1.00 0.00 ATOM 222 C PHE A 29 -19.574 23.112 41.992 1.00 0.00 ATOM 223 N GLU A 30 -19.536 22.914 43.295 1.00 0.00 ATOM 224 CA GLU A 30 -20.519 23.585 44.149 1.00 0.00 ATOM 225 CB GLU A 30 -20.290 23.171 45.609 1.00 0.00 ATOM 226 CG GLU A 30 -21.249 23.830 46.593 1.00 0.00 ATOM 227 CD GLU A 30 -21.131 23.312 48.015 1.00 0.00 ATOM 228 OE1 GLU A 30 -20.015 23.293 48.586 1.00 0.00 ATOM 229 OE2 GLU A 30 -22.216 22.987 48.560 1.00 0.00 ATOM 230 O GLU A 30 -21.432 25.827 43.927 1.00 0.00 ATOM 231 C GLU A 30 -20.408 25.123 44.027 1.00 0.00 ATOM 232 N GLN A 31 -19.165 25.631 44.069 1.00 0.00 ATOM 233 CA GLN A 31 -18.934 27.059 43.934 1.00 0.00 ATOM 234 CB GLN A 31 -17.455 27.434 44.110 1.00 0.00 ATOM 235 CG GLN A 31 -16.975 27.288 45.518 1.00 0.00 ATOM 236 CD GLN A 31 -17.609 28.275 46.451 1.00 0.00 ATOM 237 OE1 GLN A 31 -17.608 29.483 46.169 1.00 0.00 ATOM 238 NE2 GLN A 31 -18.159 27.793 47.577 1.00 0.00 ATOM 239 O GLN A 31 -19.669 28.876 42.548 1.00 0.00 ATOM 240 C GLN A 31 -19.434 27.682 42.623 1.00 0.00 ATOM 241 N THR A 32 -19.537 26.865 41.586 1.00 0.00 ATOM 242 CA THR A 32 -19.959 27.307 40.267 1.00 0.00 ATOM 243 CB THR A 32 -18.924 26.902 39.223 1.00 0.00 ATOM 244 CG2 THR A 32 -17.609 27.634 39.422 1.00 0.00 ATOM 245 OG1 THR A 32 -18.712 25.484 39.269 1.00 0.00 ATOM 246 O THR A 32 -21.822 26.982 38.746 1.00 0.00 ATOM 247 C THR A 32 -21.388 26.843 39.893 1.00 0.00 ATOM 248 N GLY A 33 -22.141 26.374 40.884 1.00 0.00 ATOM 249 CA GLY A 33 -23.556 26.095 40.690 1.00 0.00 ATOM 250 O GLY A 33 -25.068 24.510 39.725 1.00 0.00 ATOM 251 C GLY A 33 -23.911 24.726 40.144 1.00 0.00 ATOM 252 N HIS A 34 -22.975 23.782 40.188 1.00 0.00 ATOM 253 CA HIS A 34 -23.168 22.448 39.613 1.00 0.00 ATOM 254 CB HIS A 34 -21.943 22.008 38.842 1.00 0.00 ATOM 255 CG HIS A 34 -21.747 22.781 37.586 1.00 0.00 ATOM 256 CD2 HIS A 34 -21.042 23.906 37.324 1.00 0.00 ATOM 257 ND1 HIS A 34 -22.411 22.460 36.424 1.00 0.00 ATOM 258 CE1 HIS A 34 -22.086 23.324 35.480 1.00 0.00 ATOM 259 NE2 HIS A 34 -21.272 24.226 36.000 1.00 0.00 ATOM 260 O HIS A 34 -23.313 21.752 41.882 1.00 0.00 ATOM 261 C HIS A 34 -23.455 21.432 40.713 1.00 0.00 ATOM 262 N ARG A 35 -23.919 20.240 40.331 1.00 0.00 ATOM 263 CA ARG A 35 -24.004 19.055 41.193 1.00 0.00 ATOM 264 CB ARG A 35 -24.431 17.804 40.364 1.00 0.00 ATOM 265 CG ARG A 35 -23.439 16.622 40.294 1.00 0.00 ATOM 266 CD ARG A 35 -23.942 15.482 39.402 1.00 0.00 ATOM 267 NE ARG A 35 -23.586 14.164 39.943 1.00 0.00 ATOM 268 CZ ARG A 35 -23.781 12.995 39.328 1.00 0.00 ATOM 269 NH1 ARG A 35 -24.297 12.922 38.116 1.00 0.00 ATOM 270 NH2 ARG A 35 -23.427 11.870 39.936 1.00 0.00 ATOM 271 O ARG A 35 -21.626 19.050 41.115 1.00 0.00 ATOM 272 C ARG A 35 -22.632 18.840 41.800 1.00 0.00 ATOM 273 N HIS A 36 -22.563 18.380 43.040 1.00 0.00 ATOM 274 CA HIS A 36 -21.278 18.297 43.734 1.00 0.00 ATOM 275 CB HIS A 36 -21.025 19.638 44.481 1.00 0.00 ATOM 276 CG HIS A 36 -22.195 20.130 45.267 1.00 0.00 ATOM 277 CD2 HIS A 36 -22.582 19.886 46.542 1.00 0.00 ATOM 278 ND1 HIS A 36 -23.142 20.975 44.731 1.00 0.00 ATOM 279 CE1 HIS A 36 -24.064 21.224 45.653 1.00 0.00 ATOM 280 NE2 HIS A 36 -23.742 20.582 46.762 1.00 0.00 ATOM 281 O HIS A 36 -20.705 17.261 45.846 1.00 0.00 ATOM 282 C HIS A 36 -21.203 17.131 44.712 1.00 0.00 ATOM 283 N ASP A 37 -21.663 15.990 44.235 1.00 0.00 ATOM 284 CA ASP A 37 -21.653 14.751 45.007 1.00 0.00 ATOM 285 CB ASP A 37 -23.092 14.310 45.255 1.00 0.00 ATOM 286 CG ASP A 37 -23.858 14.075 43.931 1.00 0.00 ATOM 287 OD1 ASP A 37 -23.271 14.317 42.836 1.00 0.00 ATOM 288 OD2 ASP A 37 -25.033 13.645 43.990 1.00 0.00 ATOM 289 O ASP A 37 -21.274 12.490 44.329 1.00 0.00 ATOM 290 C ASP A 37 -20.898 13.648 44.263 1.00 0.00 ATOM 291 N PHE A 38 -19.835 13.998 43.541 1.00 0.00 ATOM 292 CA PHE A 38 -19.003 12.969 42.891 1.00 0.00 ATOM 293 CB PHE A 38 -17.934 13.556 41.984 1.00 0.00 ATOM 294 CG PHE A 38 -18.473 14.375 40.829 1.00 0.00 ATOM 295 CD1 PHE A 38 -19.237 13.782 39.833 1.00 0.00 ATOM 296 CD2 PHE A 38 -18.149 15.717 40.704 1.00 0.00 ATOM 297 CE1 PHE A 38 -19.683 14.506 38.727 1.00 0.00 ATOM 298 CE2 PHE A 38 -18.582 16.464 39.615 1.00 0.00 ATOM 299 CZ PHE A 38 -19.367 15.839 38.611 1.00 0.00 ATOM 300 O PHE A 38 -17.980 12.569 45.029 1.00 0.00 ATOM 301 C PHE A 38 -18.319 12.097 43.934 1.00 0.00 ATOM 302 N THR A 39 -18.145 10.828 43.568 1.00 0.00 ATOM 303 CA THR A 39 -17.498 9.836 44.406 1.00 0.00 ATOM 304 CB THR A 39 -18.168 8.436 44.224 1.00 0.00 ATOM 305 CG2 THR A 39 -19.706 8.466 44.561 1.00 0.00 ATOM 306 OG1 THR A 39 -18.012 8.041 42.861 1.00 0.00 ATOM 307 O THR A 39 -15.649 10.156 42.888 1.00 0.00 ATOM 308 C THR A 39 -16.039 9.712 43.975 1.00 0.00 ATOM 309 N VAL A 40 -15.226 9.082 44.822 1.00 0.00 ATOM 310 CA VAL A 40 -13.849 8.727 44.439 1.00 0.00 ATOM 311 CB VAL A 40 -13.085 8.003 45.564 1.00 0.00 ATOM 312 CG1 VAL A 40 -11.879 7.271 45.015 1.00 0.00 ATOM 313 CG2 VAL A 40 -12.742 8.968 46.691 1.00 0.00 ATOM 314 O VAL A 40 -12.910 8.044 42.341 1.00 0.00 ATOM 315 C VAL A 40 -13.809 7.874 43.170 1.00 0.00 ATOM 316 N GLU A 41 -14.785 6.987 42.993 1.00 0.00 ATOM 317 CA GLU A 41 -14.815 6.167 41.783 1.00 0.00 ATOM 318 CB GLU A 41 -15.851 5.025 41.862 1.00 0.00 ATOM 319 CG GLU A 41 -15.495 3.870 42.812 1.00 0.00 ATOM 320 CD GLU A 41 -14.097 3.248 42.601 1.00 0.00 ATOM 321 OE1 GLU A 41 -13.925 2.497 41.616 1.00 0.00 ATOM 322 OE2 GLU A 41 -13.173 3.492 43.433 1.00 0.00 ATOM 323 O GLU A 41 -14.564 6.736 39.456 1.00 0.00 ATOM 324 C GLU A 41 -15.084 7.027 40.538 1.00 0.00 ATOM 325 N ASP A 42 -15.891 8.082 40.686 1.00 0.00 ATOM 326 CA ASP A 42 -16.149 9.003 39.579 1.00 0.00 ATOM 327 CB ASP A 42 -17.170 10.081 39.960 1.00 0.00 ATOM 328 CG ASP A 42 -18.591 9.554 40.119 1.00 0.00 ATOM 329 OD1 ASP A 42 -18.983 8.581 39.425 1.00 0.00 ATOM 330 OD2 ASP A 42 -19.320 10.176 40.928 1.00 0.00 ATOM 331 O ASP A 42 -14.438 9.774 38.027 1.00 0.00 ATOM 332 C ASP A 42 -14.815 9.665 39.208 1.00 0.00 ATOM 333 N ILE A 43 -14.114 10.139 40.229 1.00 0.00 ATOM 334 CA ILE A 43 -12.861 10.860 39.982 1.00 0.00 ATOM 335 CB ILE A 43 -12.272 11.462 41.326 1.00 0.00 ATOM 336 CG1 ILE A 43 -12.710 12.920 41.473 1.00 0.00 ATOM 337 CG2 ILE A 43 -10.775 11.316 41.421 1.00 0.00 ATOM 338 CD1 ILE A 43 -14.216 13.106 41.648 1.00 0.00 ATOM 339 O ILE A 43 -11.059 10.496 38.433 1.00 0.00 ATOM 340 C ILE A 43 -11.830 9.994 39.244 1.00 0.00 ATOM 341 N LYS A 44 -11.801 8.698 39.543 1.00 0.00 ATOM 342 CA LYS A 44 -10.903 7.761 38.842 1.00 0.00 ATOM 343 CB LYS A 44 -10.940 6.401 39.527 1.00 0.00 ATOM 344 CG LYS A 44 -10.388 6.410 40.940 1.00 0.00 ATOM 345 CD LYS A 44 -10.523 5.071 41.604 1.00 0.00 ATOM 346 CE LYS A 44 -9.746 5.048 42.903 1.00 0.00 ATOM 347 NZ LYS A 44 -10.077 3.828 43.726 1.00 0.00 ATOM 348 O LYS A 44 -10.318 7.275 36.563 1.00 0.00 ATOM 349 C LYS A 44 -11.203 7.638 37.356 1.00 0.00 ATOM 350 N ASN A 45 -12.432 7.984 36.982 1.00 0.00 ATOM 351 CA ASN A 45 -12.847 8.062 35.567 1.00 0.00 ATOM 352 CB ASN A 45 -14.332 7.723 35.406 1.00 0.00 ATOM 353 CG ASN A 45 -14.613 6.261 35.522 1.00 0.00 ATOM 354 ND2 ASN A 45 -14.806 5.804 36.749 1.00 0.00 ATOM 355 OD1 ASN A 45 -14.642 5.533 34.513 1.00 0.00 ATOM 356 O ASN A 45 -12.590 9.607 33.720 1.00 0.00 ATOM 357 C ASN A 45 -12.601 9.446 34.948 1.00 0.00 ATOM 358 N PHE A 46 -12.440 10.473 35.767 1.00 0.00 ATOM 359 CA PHE A 46 -12.235 11.808 35.205 1.00 0.00 ATOM 360 CB PHE A 46 -12.852 12.886 36.081 1.00 0.00 ATOM 361 CG PHE A 46 -14.342 12.707 36.386 1.00 0.00 ATOM 362 CD1 PHE A 46 -15.191 12.014 35.538 1.00 0.00 ATOM 363 CD2 PHE A 46 -14.869 13.309 37.536 1.00 0.00 ATOM 364 CE1 PHE A 46 -16.526 11.866 35.866 1.00 0.00 ATOM 365 CE2 PHE A 46 -16.174 13.193 37.846 1.00 0.00 ATOM 366 CZ PHE A 46 -17.016 12.472 36.996 1.00 0.00 ATOM 367 O PHE A 46 -10.467 12.764 33.953 1.00 0.00 ATOM 368 C PHE A 46 -10.791 12.173 34.952 1.00 0.00 ATOM 369 N PHE A 47 -9.925 11.814 35.880 1.00 0.00 ATOM 370 CA PHE A 47 -8.521 12.250 35.798 1.00 0.00 ATOM 371 CB PHE A 47 -8.022 12.504 37.227 1.00 0.00 ATOM 372 CG PHE A 47 -8.583 13.768 37.813 1.00 0.00 ATOM 373 CD1 PHE A 47 -7.953 14.981 37.576 1.00 0.00 ATOM 374 CD2 PHE A 47 -9.761 13.790 38.533 1.00 0.00 ATOM 375 CE1 PHE A 47 -8.468 16.139 38.063 1.00 0.00 ATOM 376 CE2 PHE A 47 -10.275 14.977 39.013 1.00 0.00 ATOM 377 CZ PHE A 47 -9.630 16.135 38.771 1.00 0.00 ATOM 378 O PHE A 47 -8.120 10.174 34.635 1.00 0.00 ATOM 379 C PHE A 47 -7.654 11.265 34.961 1.00 0.00 ATOM 380 N GLY A 48 -6.445 11.696 34.561 1.00 0.00 ATOM 381 CA GLY A 48 -5.514 10.923 33.724 1.00 0.00 ATOM 382 O GLY A 48 -3.842 11.578 32.076 1.00 0.00 ATOM 383 C GLY A 48 -4.994 11.724 32.531 1.00 0.00 ATOM 384 N SER A 49 -5.848 12.590 32.044 1.00 0.00 ATOM 385 CA SER A 49 -5.574 13.348 30.830 1.00 0.00 ATOM 386 CB SER A 49 -6.631 13.034 29.762 1.00 0.00 ATOM 387 OG SER A 49 -6.523 11.693 29.305 1.00 0.00 ATOM 388 O SER A 49 -5.696 15.629 30.130 1.00 0.00 ATOM 389 C SER A 49 -5.492 14.850 31.061 1.00 0.00 ATOM 390 N GLY A 50 -5.230 15.208 32.309 1.00 0.00 ATOM 391 CA GLY A 50 -5.138 16.622 32.699 1.00 0.00 ATOM 392 O GLY A 50 -7.540 16.631 32.962 1.00 0.00 ATOM 393 C GLY A 50 -6.445 17.203 33.172 1.00 0.00 ATOM 394 N VAL A 51 -6.330 18.380 33.755 1.00 0.00 ATOM 395 CA VAL A 51 -7.479 18.978 34.404 1.00 0.00 ATOM 396 CB VAL A 51 -7.086 20.143 35.364 1.00 0.00 ATOM 397 CG1 VAL A 51 -6.274 19.590 36.525 1.00 0.00 ATOM 398 CG2 VAL A 51 -6.393 21.269 34.643 1.00 0.00 ATOM 399 O VAL A 51 -9.714 19.439 33.810 1.00 0.00 ATOM 400 C VAL A 51 -8.568 19.469 33.462 1.00 0.00 ATOM 401 N VAL A 52 -8.206 19.901 32.276 1.00 0.00 ATOM 402 CA VAL A 52 -9.225 20.341 31.272 1.00 0.00 ATOM 403 CB VAL A 52 -8.558 21.020 30.028 1.00 0.00 ATOM 404 CG1 VAL A 52 -9.571 21.273 28.919 1.00 0.00 ATOM 405 CG2 VAL A 52 -7.829 22.320 30.425 1.00 0.00 ATOM 406 O VAL A 52 -11.325 19.240 30.890 1.00 0.00 ATOM 407 C VAL A 52 -10.098 19.153 30.866 1.00 0.00 ATOM 408 N VAL A 53 -9.455 18.043 30.512 1.00 0.00 ATOM 409 CA VAL A 53 -10.241 16.837 30.170 1.00 0.00 ATOM 410 CB VAL A 53 -9.342 15.719 29.543 1.00 0.00 ATOM 411 CG1 VAL A 53 -10.109 14.422 29.442 1.00 0.00 ATOM 412 CG2 VAL A 53 -8.770 16.164 28.160 1.00 0.00 ATOM 413 O VAL A 53 -12.148 15.873 31.216 1.00 0.00 ATOM 414 C VAL A 53 -11.034 16.321 31.373 1.00 0.00 ATOM 415 N ALA A 54 -10.448 16.395 32.558 1.00 0.00 ATOM 416 CA ALA A 54 -11.109 15.922 33.786 1.00 0.00 ATOM 417 CB ALA A 54 -10.155 16.038 35.016 1.00 0.00 ATOM 418 O ALA A 54 -13.476 16.123 34.315 1.00 0.00 ATOM 419 C ALA A 54 -12.404 16.712 34.032 1.00 0.00 ATOM 420 N VAL A 55 -12.339 18.044 33.939 1.00 0.00 ATOM 421 CA VAL A 55 -13.552 18.875 34.168 1.00 0.00 ATOM 422 CB VAL A 55 -13.202 20.321 34.466 1.00 0.00 ATOM 423 CG1 VAL A 55 -14.439 21.218 34.512 1.00 0.00 ATOM 424 CG2 VAL A 55 -12.457 20.384 35.788 1.00 0.00 ATOM 425 O VAL A 55 -15.775 18.639 33.220 1.00 0.00 ATOM 426 C VAL A 55 -14.554 18.700 33.002 1.00 0.00 ATOM 427 N THR A 56 -14.045 18.528 31.798 1.00 0.00 ATOM 428 CA THR A 56 -14.936 18.288 30.646 1.00 0.00 ATOM 429 CB THR A 56 -14.119 18.193 29.323 1.00 0.00 ATOM 430 CG2 THR A 56 -15.034 17.990 28.075 1.00 0.00 ATOM 431 OG1 THR A 56 -13.328 19.375 29.147 1.00 0.00 ATOM 432 O THR A 56 -16.940 16.899 30.670 1.00 0.00 ATOM 433 C THR A 56 -15.732 16.976 30.869 1.00 0.00 ATOM 434 N ARG A 57 -15.015 15.912 31.257 1.00 0.00 ATOM 435 CA ARG A 57 -15.621 14.632 31.631 1.00 0.00 ATOM 436 CB ARG A 57 -14.520 13.658 31.990 1.00 0.00 ATOM 437 CG ARG A 57 -13.786 13.010 30.792 1.00 0.00 ATOM 438 CD ARG A 57 -12.641 12.145 31.354 1.00 0.00 ATOM 439 NE ARG A 57 -11.976 11.390 30.306 1.00 0.00 ATOM 440 CZ ARG A 57 -10.781 10.835 30.439 1.00 0.00 ATOM 441 NH1 ARG A 57 -10.072 11.052 31.549 1.00 0.00 ATOM 442 NH2 ARG A 57 -10.277 10.142 29.445 1.00 0.00 ATOM 443 O ARG A 57 -17.768 14.209 32.691 1.00 0.00 ATOM 444 C ARG A 57 -16.644 14.785 32.761 1.00 0.00 ATOM 445 N ALA A 58 -16.267 15.534 33.791 1.00 0.00 ATOM 446 CA ALA A 58 -17.158 15.687 34.967 1.00 0.00 ATOM 447 CB ALA A 58 -16.446 16.435 36.145 1.00 0.00 ATOM 448 O ALA A 58 -19.519 16.026 35.036 1.00 0.00 ATOM 449 C ALA A 58 -18.442 16.428 34.610 1.00 0.00 ATOM 450 N LEU A 59 -18.327 17.454 33.786 1.00 0.00 ATOM 451 CA LEU A 59 -19.497 18.191 33.308 1.00 0.00 ATOM 452 CB LEU A 59 -19.094 19.474 32.565 1.00 0.00 ATOM 453 CG LEU A 59 -18.528 20.618 33.396 1.00 0.00 ATOM 454 CD1 LEU A 59 -17.931 21.742 32.504 1.00 0.00 ATOM 455 CD2 LEU A 59 -19.649 21.203 34.327 1.00 0.00 ATOM 456 O LEU A 59 -21.600 17.359 32.521 1.00 0.00 ATOM 457 C LEU A 59 -20.383 17.298 32.433 1.00 0.00 ATOM 458 N ALA A 60 -19.768 16.472 31.588 1.00 0.00 ATOM 459 CA ALA A 60 -20.553 15.559 30.727 1.00 0.00 ATOM 460 CB ALA A 60 -19.612 14.855 29.737 1.00 0.00 ATOM 461 O ALA A 60 -22.434 14.188 31.328 1.00 0.00 ATOM 462 C ALA A 60 -21.269 14.523 31.583 1.00 0.00 ATOM 463 N TYR A 61 -20.568 14.021 32.597 1.00 0.00 ATOM 464 CA TYR A 61 -21.166 13.055 33.500 1.00 0.00 ATOM 465 CB TYR A 61 -20.108 12.515 34.459 1.00 0.00 ATOM 466 CG TYR A 61 -20.551 11.278 35.140 1.00 0.00 ATOM 467 CD1 TYR A 61 -20.666 10.100 34.422 1.00 0.00 ATOM 468 CD2 TYR A 61 -20.847 11.273 36.501 1.00 0.00 ATOM 469 CE1 TYR A 61 -21.064 8.910 35.038 1.00 0.00 ATOM 470 CE2 TYR A 61 -21.248 10.084 37.135 1.00 0.00 ATOM 471 CZ TYR A 61 -21.374 8.907 36.375 1.00 0.00 ATOM 472 OH TYR A 61 -21.782 7.724 36.952 1.00 0.00 ATOM 473 O TYR A 61 -23.436 13.065 34.350 1.00 0.00 ATOM 474 C TYR A 61 -22.345 13.690 34.249 1.00 0.00 ATOM 475 N GLU A 62 -22.189 14.923 34.729 1.00 0.00 ATOM 476 CA GLU A 62 -23.313 15.632 35.357 1.00 0.00 ATOM 477 CB GLU A 62 -22.939 17.047 35.782 1.00 0.00 ATOM 478 CG GLU A 62 -24.087 17.844 36.378 1.00 0.00 ATOM 479 CD GLU A 62 -23.747 19.320 36.627 1.00 0.00 ATOM 480 OE1 GLU A 62 -22.953 19.927 35.851 1.00 0.00 ATOM 481 OE2 GLU A 62 -24.327 19.882 37.581 1.00 0.00 ATOM 482 O GLU A 62 -25.673 15.567 34.778 1.00 0.00 ATOM 483 C GLU A 62 -24.513 15.707 34.379 1.00 0.00 ATOM 484 N ALA A 63 -24.214 15.902 33.094 1.00 0.00 ATOM 485 CA ALA A 63 -25.238 16.059 32.044 1.00 0.00 ATOM 486 CB ALA A 63 -24.644 16.798 30.862 1.00 0.00 ATOM 487 O ALA A 63 -26.807 14.737 30.789 1.00 0.00 ATOM 488 C ALA A 63 -25.872 14.729 31.581 1.00 0.00 ATOM 489 N GLY A 64 -25.333 13.600 32.044 1.00 0.00 ATOM 490 CA GLY A 64 -25.923 12.278 31.809 1.00 0.00 ATOM 491 O GLY A 64 -25.608 10.239 30.622 1.00 0.00 ATOM 492 C GLY A 64 -25.102 11.318 30.968 1.00 0.00 ATOM 493 N SER A 65 -23.877 11.697 30.627 1.00 0.00 ATOM 494 CA SER A 65 -22.967 10.838 29.854 1.00 0.00 ATOM 495 CB SER A 65 -21.694 11.594 29.410 1.00 0.00 ATOM 496 OG SER A 65 -22.033 12.633 28.518 1.00 0.00 ATOM 497 O SER A 65 -22.444 9.570 31.843 1.00 0.00 ATOM 498 C SER A 65 -22.583 9.568 30.621 1.00 0.00 ATOM 499 N SER A 66 -22.455 8.474 29.885 1.00 0.00 ATOM 500 CA SER A 66 -21.976 7.209 30.425 1.00 0.00 ATOM 501 CB SER A 66 -22.185 6.091 29.428 1.00 0.00 ATOM 502 OG SER A 66 -21.301 6.261 28.341 1.00 0.00 ATOM 503 O SER A 66 -19.721 8.054 30.237 1.00 0.00 ATOM 504 C SER A 66 -20.505 7.264 30.803 1.00 0.00 ATOM 505 N ARG A 67 -20.090 6.405 31.722 1.00 0.00 ATOM 506 CA ARG A 67 -18.646 6.311 32.021 1.00 0.00 ATOM 507 CB ARG A 67 -18.335 5.331 33.153 1.00 0.00 ATOM 508 CG ARG A 67 -18.900 5.779 34.429 1.00 0.00 ATOM 509 CD ARG A 67 -18.457 4.932 35.555 1.00 0.00 ATOM 510 NE ARG A 67 -18.554 5.657 36.814 1.00 0.00 ATOM 511 CZ ARG A 67 -18.378 5.081 38.000 1.00 0.00 ATOM 512 NH1 ARG A 67 -18.097 3.778 38.078 1.00 0.00 ATOM 513 NH2 ARG A 67 -18.484 5.811 39.108 1.00 0.00 ATOM 514 O ARG A 67 -16.777 6.410 30.562 1.00 0.00 ATOM 515 C ARG A 67 -17.858 5.902 30.806 1.00 0.00 ATOM 516 N GLU A 68 -18.398 4.972 30.016 1.00 0.00 ATOM 517 CA GLU A 68 -17.738 4.502 28.785 1.00 0.00 ATOM 518 CB GLU A 68 -18.637 3.552 27.975 1.00 0.00 ATOM 519 CG GLU A 68 -17.967 2.947 26.710 1.00 0.00 ATOM 520 CD GLU A 68 -18.215 3.685 25.350 1.00 0.00 ATOM 521 OE1 GLU A 68 -19.003 4.668 25.219 1.00 0.00 ATOM 522 OE2 GLU A 68 -17.574 3.240 24.363 1.00 0.00 ATOM 523 O GLU A 68 -16.313 5.674 27.265 1.00 0.00 ATOM 524 C GLU A 68 -17.388 5.644 27.870 1.00 0.00 ATOM 525 N SER A 69 -18.348 6.561 27.717 1.00 0.00 ATOM 526 CA SER A 69 -18.219 7.639 26.752 1.00 0.00 ATOM 527 CB SER A 69 -19.527 8.427 26.556 1.00 0.00 ATOM 528 OG SER A 69 -19.874 9.236 27.677 1.00 0.00 ATOM 529 O SER A 69 -16.608 9.359 26.262 1.00 0.00 ATOM 530 C SER A 69 -17.118 8.599 27.130 1.00 0.00 ATOM 531 N LEU A 70 -16.760 8.631 28.412 1.00 0.00 ATOM 532 CA LEU A 70 -15.755 9.579 28.861 1.00 0.00 ATOM 533 CB LEU A 70 -15.815 9.692 30.354 1.00 0.00 ATOM 534 CG LEU A 70 -17.152 10.046 30.994 1.00 0.00 ATOM 535 CD1 LEU A 70 -16.969 10.115 32.507 1.00 0.00 ATOM 536 CD2 LEU A 70 -17.806 11.264 30.447 1.00 0.00 ATOM 537 O LEU A 70 -13.453 10.058 28.331 1.00 0.00 ATOM 538 C LEU A 70 -14.331 9.194 28.421 1.00 0.00 ATOM 539 N VAL A 71 -14.090 7.918 28.150 1.00 0.00 ATOM 540 CA VAL A 71 -12.722 7.449 27.896 1.00 0.00 ATOM 541 CB VAL A 71 -12.655 5.928 27.704 1.00 0.00 ATOM 542 CG1 VAL A 71 -11.237 5.482 27.379 1.00 0.00 ATOM 543 CG2 VAL A 71 -13.195 5.169 28.955 1.00 0.00 ATOM 544 O VAL A 71 -10.910 8.680 26.841 1.00 0.00 ATOM 545 C VAL A 71 -12.071 8.215 26.729 1.00 0.00 ATOM 546 N ALA A 72 -12.840 8.434 25.666 1.00 0.00 ATOM 547 CA ALA A 72 -12.337 9.072 24.431 1.00 0.00 ATOM 548 CB ALA A 72 -13.250 8.705 23.239 1.00 0.00 ATOM 549 O ALA A 72 -11.634 11.254 23.653 1.00 0.00 ATOM 550 C ALA A 72 -12.189 10.611 24.542 1.00 0.00 ATOM 551 N PHE A 73 -12.720 11.211 25.608 1.00 0.00 ATOM 552 CA PHE A 73 -12.462 12.617 25.823 1.00 0.00 ATOM 553 CB PHE A 73 -13.092 13.132 27.098 1.00 0.00 ATOM 554 CG PHE A 73 -14.601 13.291 27.070 1.00 0.00 ATOM 555 CD1 PHE A 73 -15.417 12.482 26.313 1.00 0.00 ATOM 556 CD2 PHE A 73 -15.196 14.213 27.930 1.00 0.00 ATOM 557 CE1 PHE A 73 -16.836 12.632 26.356 1.00 0.00 ATOM 558 CE2 PHE A 73 -16.532 14.396 27.999 1.00 0.00 ATOM 559 CZ PHE A 73 -17.399 13.567 27.229 1.00 0.00 ATOM 560 O PHE A 73 -10.202 12.205 26.463 1.00 0.00 ATOM 561 C PHE A 73 -10.978 12.896 25.828 1.00 0.00 ATOM 562 N GLY A 74 -10.600 13.945 25.128 1.00 0.00 ATOM 563 CA GLY A 74 -9.189 14.313 25.046 1.00 0.00 ATOM 564 O GLY A 74 -7.330 13.958 23.626 1.00 0.00 ATOM 565 C GLY A 74 -8.509 13.710 23.822 1.00 0.00 ATOM 566 N THR A 75 -9.225 12.883 23.056 1.00 0.00 ATOM 567 CA THR A 75 -8.721 12.222 21.835 1.00 0.00 ATOM 568 CB THR A 75 -8.878 10.653 21.907 1.00 0.00 ATOM 569 CG2 THR A 75 -8.366 10.058 23.237 1.00 0.00 ATOM 570 OG1 THR A 75 -10.238 10.248 21.626 1.00 0.00 ATOM 571 O THR A 75 -10.595 13.315 20.708 1.00 0.00 ATOM 572 C THR A 75 -9.511 12.702 20.604 1.00 0.00 ATOM 573 N LYS A 76 -8.981 12.379 19.429 1.00 0.00 ATOM 574 CA LYS A 76 -9.647 12.702 18.165 1.00 0.00 ATOM 575 CB LYS A 76 -8.758 12.318 16.965 1.00 0.00 ATOM 576 CG LYS A 76 -8.596 10.828 16.761 1.00 0.00 ATOM 577 O LYS A 76 -11.835 12.581 17.276 1.00 0.00 ATOM 578 C LYS A 76 -11.025 12.085 18.037 1.00 0.00 ATOM 579 N ASP A 77 -11.319 11.047 18.812 1.00 0.00 ATOM 580 CA ASP A 77 -12.603 10.374 18.734 1.00 0.00 ATOM 581 CB ASP A 77 -12.416 8.861 18.898 1.00 0.00 ATOM 582 CG ASP A 77 -11.522 8.270 17.818 1.00 0.00 ATOM 583 OD1 ASP A 77 -11.783 8.542 16.628 1.00 0.00 ATOM 584 OD2 ASP A 77 -10.560 7.555 18.180 1.00 0.00 ATOM 585 O ASP A 77 -14.650 10.256 19.968 1.00 0.00 ATOM 586 C ASP A 77 -13.584 10.859 19.795 1.00 0.00 ATOM 587 N GLU A 78 -13.240 11.918 20.523 1.00 0.00 ATOM 588 CA GLU A 78 -14.156 12.374 21.577 1.00 0.00 ATOM 589 CB GLU A 78 -13.552 13.542 22.364 1.00 0.00 ATOM 590 CG GLU A 78 -13.380 14.810 21.561 1.00 0.00 ATOM 591 CD GLU A 78 -12.592 15.896 22.287 1.00 0.00 ATOM 592 OE1 GLU A 78 -12.053 15.666 23.417 1.00 0.00 ATOM 593 OE2 GLU A 78 -12.528 17.020 21.701 1.00 0.00 ATOM 594 O GLU A 78 -15.679 13.347 19.999 1.00 0.00 ATOM 595 C GLU A 78 -15.552 12.758 21.064 1.00 0.00 ATOM 596 N GLN A 79 -16.576 12.393 21.833 1.00 0.00 ATOM 597 CA GLN A 79 -17.967 12.769 21.570 1.00 0.00 ATOM 598 CB GLN A 79 -18.839 11.518 21.519 1.00 0.00 ATOM 599 CG GLN A 79 -18.400 10.493 20.489 1.00 0.00 ATOM 600 CD GLN A 79 -19.117 10.693 19.228 1.00 0.00 ATOM 601 OE1 GLN A 79 -18.644 11.399 18.342 1.00 0.00 ATOM 602 NE2 GLN A 79 -20.308 10.127 19.143 1.00 0.00 ATOM 603 O GLN A 79 -19.083 13.090 23.648 1.00 0.00 ATOM 604 C GLN A 79 -18.449 13.623 22.730 1.00 0.00 ATOM 605 N ILE A 80 -18.093 14.901 22.717 1.00 0.00 ATOM 606 CA ILE A 80 -18.429 15.784 23.844 1.00 0.00 ATOM 607 CB ILE A 80 -17.409 16.926 24.022 1.00 0.00 ATOM 608 CG1 ILE A 80 -16.040 16.315 24.425 1.00 0.00 ATOM 609 CG2 ILE A 80 -17.904 17.922 25.085 1.00 0.00 ATOM 610 CD1 ILE A 80 -14.961 17.222 24.219 1.00 0.00 ATOM 611 O ILE A 80 -20.243 16.837 22.632 1.00 0.00 ATOM 612 C ILE A 80 -19.894 16.276 23.666 1.00 0.00 ATOM 613 N PRO A 81 -20.754 16.065 24.691 1.00 0.00 ATOM 614 CA PRO A 81 -22.136 16.525 24.594 1.00 0.00 ATOM 615 CB PRO A 81 -22.747 16.170 25.957 1.00 0.00 ATOM 616 CG PRO A 81 -21.789 15.288 26.625 1.00 0.00 ATOM 617 CD PRO A 81 -20.466 15.404 25.974 1.00 0.00 ATOM 618 O PRO A 81 -21.427 18.791 24.904 1.00 0.00 ATOM 619 C PRO A 81 -22.239 18.024 24.371 1.00 0.00 ATOM 620 N GLU A 82 -23.271 18.418 23.635 1.00 0.00 ATOM 621 CA GLU A 82 -23.528 19.811 23.366 1.00 0.00 ATOM 622 CB GLU A 82 -24.702 19.974 22.390 1.00 0.00 ATOM 623 CG GLU A 82 -24.285 19.661 21.015 1.00 0.00 ATOM 624 CD GLU A 82 -25.389 19.863 19.990 1.00 0.00 ATOM 625 OE1 GLU A 82 -26.550 20.230 20.357 1.00 0.00 ATOM 626 OE2 GLU A 82 -25.067 19.692 18.792 1.00 0.00 ATOM 627 O GLU A 82 -23.660 21.857 24.572 1.00 0.00 ATOM 628 C GLU A 82 -23.787 20.632 24.614 1.00 0.00 ATOM 629 N ALA A 83 -24.105 19.987 25.734 1.00 0.00 ATOM 630 CA ALA A 83 -24.265 20.683 27.010 1.00 0.00 ATOM 631 CB ALA A 83 -24.907 19.756 28.009 1.00 0.00 ATOM 632 O ALA A 83 -22.976 22.094 28.504 1.00 0.00 ATOM 633 C ALA A 83 -22.968 21.229 27.613 1.00 0.00 ATOM 634 N VAL A 84 -21.834 20.678 27.173 1.00 0.00 ATOM 635 CA VAL A 84 -20.546 20.978 27.790 1.00 0.00 ATOM 636 CB VAL A 84 -19.714 19.662 28.128 1.00 0.00 ATOM 637 CG1 VAL A 84 -18.358 20.019 28.735 1.00 0.00 ATOM 638 CG2 VAL A 84 -20.532 18.750 29.050 1.00 0.00 ATOM 639 O VAL A 84 -19.446 21.646 25.759 1.00 0.00 ATOM 640 C VAL A 84 -19.752 21.950 26.911 1.00 0.00 ATOM 641 N THR A 85 -19.346 23.065 27.497 1.00 0.00 ATOM 642 CA THR A 85 -18.511 24.042 26.790 1.00 0.00 ATOM 643 CB THR A 85 -19.250 25.391 26.666 1.00 0.00 ATOM 644 CG2 THR A 85 -20.684 25.116 26.267 1.00 0.00 ATOM 645 OG1 THR A 85 -19.178 26.089 27.909 1.00 0.00 ATOM 646 O THR A 85 -17.040 24.187 28.679 1.00 0.00 ATOM 647 C THR A 85 -17.164 24.260 27.477 1.00 0.00 ATOM 648 N GLN A 86 -16.145 24.564 26.687 1.00 0.00 ATOM 649 CA GLN A 86 -14.859 24.961 27.277 1.00 0.00 ATOM 650 CB GLN A 86 -13.741 24.947 26.274 1.00 0.00 ATOM 651 CG GLN A 86 -13.496 23.551 25.719 1.00 0.00 ATOM 652 CD GLN A 86 -13.074 22.503 26.801 1.00 0.00 ATOM 653 OE1 GLN A 86 -12.151 22.768 27.562 1.00 0.00 ATOM 654 NE2 GLN A 86 -13.805 21.389 26.921 1.00 0.00 ATOM 655 O GLN A 86 -14.105 26.390 29.031 1.00 0.00 ATOM 656 C GLN A 86 -14.875 26.249 28.098 1.00 0.00 ATOM 657 N THR A 87 -15.790 27.152 27.782 1.00 0.00 ATOM 658 CA THR A 87 -15.970 28.313 28.600 1.00 0.00 ATOM 659 CB THR A 87 -16.999 29.271 27.950 1.00 0.00 ATOM 660 CG2 THR A 87 -17.299 30.501 28.813 1.00 0.00 ATOM 661 OG1 THR A 87 -16.501 29.703 26.678 1.00 0.00 ATOM 662 O THR A 87 -15.842 28.429 30.990 1.00 0.00 ATOM 663 C THR A 87 -16.388 27.905 30.007 1.00 0.00 ATOM 664 N GLU A 88 -17.335 26.988 30.124 1.00 0.00 ATOM 665 CA GLU A 88 -17.703 26.522 31.448 1.00 0.00 ATOM 666 CB GLU A 88 -18.993 25.717 31.379 1.00 0.00 ATOM 667 CG GLU A 88 -19.592 25.399 32.751 1.00 0.00 ATOM 668 CD GLU A 88 -20.029 26.609 33.567 1.00 0.00 ATOM 669 OE1 GLU A 88 -20.156 27.738 33.026 1.00 0.00 ATOM 670 OE2 GLU A 88 -20.273 26.416 34.785 1.00 0.00 ATOM 671 O GLU A 88 -16.381 25.865 33.340 1.00 0.00 ATOM 672 C GLU A 88 -16.578 25.727 32.130 1.00 0.00 ATOM 673 N VAL A 89 -15.867 24.890 31.368 1.00 0.00 ATOM 674 CA VAL A 89 -14.680 24.187 31.889 1.00 0.00 ATOM 675 CB VAL A 89 -13.991 23.364 30.790 1.00 0.00 ATOM 676 CG1 VAL A 89 -12.615 22.833 31.272 1.00 0.00 ATOM 677 CG2 VAL A 89 -14.898 22.193 30.398 1.00 0.00 ATOM 678 O VAL A 89 -13.269 24.998 33.733 1.00 0.00 ATOM 679 C VAL A 89 -13.709 25.197 32.562 1.00 0.00 ATOM 680 N ASN A 90 -13.387 26.271 31.837 1.00 0.00 ATOM 681 CA ASN A 90 -12.418 27.274 32.286 1.00 0.00 ATOM 682 CB ASN A 90 -12.064 28.265 31.186 1.00 0.00 ATOM 683 CG ASN A 90 -11.301 27.628 30.058 1.00 0.00 ATOM 684 ND2 ASN A 90 -11.306 28.275 28.890 1.00 0.00 ATOM 685 OD1 ASN A 90 -10.712 26.571 30.230 1.00 0.00 ATOM 686 O ASN A 90 -12.181 28.323 34.439 1.00 0.00 ATOM 687 C ASN A 90 -12.947 27.982 33.538 1.00 0.00 ATOM 688 N ARG A 91 -14.263 28.142 33.622 1.00 0.00 ATOM 689 CA ARG A 91 -14.864 28.849 34.787 1.00 0.00 ATOM 690 CB ARG A 91 -16.312 29.221 34.532 1.00 0.00 ATOM 691 CG ARG A 91 -16.884 30.130 35.565 1.00 0.00 ATOM 692 CD ARG A 91 -18.236 30.680 35.109 1.00 0.00 ATOM 693 NE ARG A 91 -19.313 29.700 35.297 1.00 0.00 ATOM 694 CZ ARG A 91 -20.006 29.521 36.426 1.00 0.00 ATOM 695 NH1 ARG A 91 -19.763 30.225 37.508 1.00 0.00 ATOM 696 NH2 ARG A 91 -20.965 28.617 36.464 1.00 0.00 ATOM 697 O ARG A 91 -14.406 28.417 37.124 1.00 0.00 ATOM 698 C ARG A 91 -14.744 27.955 36.021 1.00 0.00 ATOM 699 N VAL A 92 -14.984 26.655 35.848 1.00 0.00 ATOM 700 CA VAL A 92 -14.816 25.700 36.957 1.00 0.00 ATOM 701 CB VAL A 92 -15.408 24.303 36.598 1.00 0.00 ATOM 702 CG1 VAL A 92 -15.076 23.290 37.663 1.00 0.00 ATOM 703 CG2 VAL A 92 -16.913 24.385 36.415 1.00 0.00 ATOM 704 O VAL A 92 -12.973 25.598 38.526 1.00 0.00 ATOM 705 C VAL A 92 -13.321 25.601 37.355 1.00 0.00 ATOM 706 N LEU A 93 -12.438 25.530 36.350 1.00 0.00 ATOM 707 CA LEU A 93 -10.986 25.402 36.628 1.00 0.00 ATOM 708 CB LEU A 93 -10.215 25.206 35.334 1.00 0.00 ATOM 709 CG LEU A 93 -10.303 23.808 34.714 1.00 0.00 ATOM 710 CD1 LEU A 93 -9.592 23.785 33.370 1.00 0.00 ATOM 711 CD2 LEU A 93 -9.652 22.807 35.639 1.00 0.00 ATOM 712 O LEU A 93 -9.466 26.484 38.167 1.00 0.00 ATOM 713 C LEU A 93 -10.440 26.590 37.394 1.00 0.00 ATOM 714 N GLU A 94 -11.047 27.764 37.190 1.00 0.00 ATOM 715 CA GLU A 94 -10.615 28.968 37.887 1.00 0.00 ATOM 716 CB GLU A 94 -11.506 30.129 37.455 1.00 0.00 ATOM 717 CG GLU A 94 -11.111 31.456 38.077 1.00 0.00 ATOM 718 CD GLU A 94 -11.963 32.632 37.602 1.00 0.00 ATOM 719 OE1 GLU A 94 -13.085 32.418 37.088 1.00 0.00 ATOM 720 OE2 GLU A 94 -11.507 33.780 37.778 1.00 0.00 ATOM 721 O GLU A 94 -9.864 29.346 40.168 1.00 0.00 ATOM 722 C GLU A 94 -10.688 28.790 39.425 1.00 0.00 ATOM 723 N VAL A 95 -11.674 28.032 39.877 1.00 0.00 ATOM 724 CA VAL A 95 -11.824 27.665 41.281 1.00 0.00 ATOM 725 CB VAL A 95 -13.322 27.425 41.644 1.00 0.00 ATOM 726 CG1 VAL A 95 -13.486 27.025 43.139 1.00 0.00 ATOM 727 CG2 VAL A 95 -14.161 28.683 41.231 1.00 0.00 ATOM 728 O VAL A 95 -10.288 26.391 42.580 1.00 0.00 ATOM 729 C VAL A 95 -11.018 26.419 41.611 1.00 0.00 ATOM 730 N PHE A 96 -11.150 25.384 40.788 1.00 0.00 ATOM 731 CA PHE A 96 -10.507 24.097 41.090 1.00 0.00 ATOM 732 CB PHE A 96 -10.851 23.082 40.019 1.00 0.00 ATOM 733 CG PHE A 96 -10.195 21.738 40.233 1.00 0.00 ATOM 734 CD1 PHE A 96 -10.719 20.816 41.144 1.00 0.00 ATOM 735 CD2 PHE A 96 -9.071 21.403 39.529 1.00 0.00 ATOM 736 CE1 PHE A 96 -10.083 19.600 41.348 1.00 0.00 ATOM 737 CE2 PHE A 96 -8.432 20.199 39.759 1.00 0.00 ATOM 738 CZ PHE A 96 -8.945 19.288 40.655 1.00 0.00 ATOM 739 O PHE A 96 -8.379 23.527 42.151 1.00 0.00 ATOM 740 C PHE A 96 -8.963 24.136 41.217 1.00 0.00 ATOM 741 N LYS A 97 -8.296 24.789 40.260 1.00 0.00 ATOM 742 CA LYS A 97 -6.827 24.721 40.245 1.00 0.00 ATOM 743 CB LYS A 97 -6.279 25.388 38.984 1.00 0.00 ATOM 744 CG LYS A 97 -6.601 24.565 37.746 1.00 0.00 ATOM 745 CD LYS A 97 -5.829 25.003 36.492 1.00 0.00 ATOM 746 CE LYS A 97 -4.320 25.158 36.746 1.00 0.00 ATOM 747 NZ LYS A 97 -3.528 25.153 35.475 1.00 0.00 ATOM 748 O LYS A 97 -5.432 24.592 42.209 1.00 0.00 ATOM 749 C LYS A 97 -6.190 25.270 41.533 1.00 0.00 ATOM 750 N PRO A 98 -6.525 26.488 41.916 1.00 0.00 ATOM 751 CA PRO A 98 -5.950 27.006 43.162 1.00 0.00 ATOM 752 CB PRO A 98 -6.389 28.466 43.188 1.00 0.00 ATOM 753 CG PRO A 98 -7.521 28.542 42.244 1.00 0.00 ATOM 754 CD PRO A 98 -7.360 27.488 41.219 1.00 0.00 ATOM 755 O PRO A 98 -5.657 26.009 45.349 1.00 0.00 ATOM 756 C PRO A 98 -6.446 26.281 44.413 1.00 0.00 ATOM 757 N TYR A 99 -7.721 25.894 44.398 1.00 0.00 ATOM 758 CA TYR A 99 -8.238 25.168 45.568 1.00 0.00 ATOM 759 CB TYR A 99 -9.716 24.918 45.449 1.00 0.00 ATOM 760 CG TYR A 99 -10.258 24.314 46.720 1.00 0.00 ATOM 761 CD1 TYR A 99 -10.694 25.147 47.756 1.00 0.00 ATOM 762 CD2 TYR A 99 -10.298 22.919 46.912 1.00 0.00 ATOM 763 CE1 TYR A 99 -11.200 24.592 48.945 1.00 0.00 ATOM 764 CE2 TYR A 99 -10.789 22.366 48.077 1.00 0.00 ATOM 765 CZ TYR A 99 -11.233 23.203 49.095 1.00 0.00 ATOM 766 OH TYR A 99 -11.730 22.630 50.267 1.00 0.00 ATOM 767 O TYR A 99 -7.004 23.565 46.862 1.00 0.00 ATOM 768 C TYR A 99 -7.492 23.865 45.772 1.00 0.00 ATOM 769 N TYR A 100 -7.404 23.082 44.699 1.00 0.00 ATOM 770 CA TYR A 100 -6.665 21.830 44.756 1.00 0.00 ATOM 771 CB TYR A 100 -6.766 21.075 43.428 1.00 0.00 ATOM 772 CG TYR A 100 -5.982 19.788 43.527 1.00 0.00 ATOM 773 CD1 TYR A 100 -6.385 18.774 44.369 1.00 0.00 ATOM 774 CD2 TYR A 100 -4.854 19.597 42.792 1.00 0.00 ATOM 775 CE1 TYR A 100 -5.668 17.602 44.472 1.00 0.00 ATOM 776 CE2 TYR A 100 -4.130 18.441 42.886 1.00 0.00 ATOM 777 CZ TYR A 100 -4.527 17.437 43.730 1.00 0.00 ATOM 778 OH TYR A 100 -3.765 16.288 43.830 1.00 0.00 ATOM 779 O TYR A 100 -4.705 21.310 46.102 1.00 0.00 ATOM 780 C TYR A 100 -5.190 22.028 45.201 1.00 0.00 ATOM 781 N ALA A 101 -4.484 22.955 44.565 1.00 0.00 ATOM 782 CA ALA A 101 -3.127 23.279 44.951 1.00 0.00 ATOM 783 CB ALA A 101 -2.589 24.509 44.131 1.00 0.00 ATOM 784 O ALA A 101 -1.984 23.094 47.076 1.00 0.00 ATOM 785 C ALA A 101 -2.961 23.527 46.467 1.00 0.00 ATOM 786 N ASP A 102 -3.918 24.229 47.059 1.00 0.00 ATOM 787 CA ASP A 102 -3.884 24.539 48.489 1.00 0.00 ATOM 788 CB ASP A 102 -4.706 25.809 48.748 1.00 0.00 ATOM 789 CG ASP A 102 -4.110 27.040 48.079 1.00 0.00 ATOM 790 OD1 ASP A 102 -2.878 27.041 47.815 1.00 0.00 ATOM 791 OD2 ASP A 102 -4.877 27.988 47.798 1.00 0.00 ATOM 792 O ASP A 102 -4.412 23.533 50.616 1.00 0.00 ATOM 793 C ASP A 102 -4.459 23.428 49.381 1.00 0.00 ATOM 794 N HIS A 103 -5.043 22.403 48.770 1.00 0.00 ATOM 795 CA HIS A 103 -5.649 21.315 49.530 1.00 0.00 ATOM 796 CB HIS A 103 -7.172 21.450 49.500 1.00 0.00 ATOM 797 CG HIS A 103 -7.666 22.718 50.129 1.00 0.00 ATOM 798 CD2 HIS A 103 -8.184 22.927 51.363 1.00 0.00 ATOM 799 ND1 HIS A 103 -7.721 23.941 49.478 1.00 0.00 ATOM 800 CE1 HIS A 103 -8.239 24.843 50.293 1.00 0.00 ATOM 801 NE2 HIS A 103 -8.496 24.261 51.450 1.00 0.00 ATOM 802 O HIS A 103 -6.052 19.005 49.033 1.00 0.00 ATOM 803 C HIS A 103 -5.238 19.931 49.019 1.00 0.00 ATOM 804 N CYS A 104 -4.049 19.813 48.459 1.00 0.00 ATOM 805 CA CYS A 104 -3.670 18.552 47.831 1.00 0.00 ATOM 806 CB CYS A 104 -2.806 18.783 46.575 1.00 0.00 ATOM 807 SG CYS A 104 -1.286 19.654 46.896 1.00 0.00 ATOM 808 O CYS A 104 -2.482 16.549 48.376 1.00 0.00 ATOM 809 C CYS A 104 -2.938 17.608 48.805 1.00 0.00 ATOM 810 N GLN A 105 -2.841 17.952 50.097 1.00 0.00 ATOM 811 CA GLN A 105 -2.089 17.127 51.037 1.00 0.00 ATOM 812 CB GLN A 105 -0.723 17.755 51.267 1.00 0.00 ATOM 813 CG GLN A 105 0.331 16.750 51.635 1.00 0.00 ATOM 814 CD GLN A 105 1.552 17.432 52.246 1.00 0.00 ATOM 815 OE1 GLN A 105 1.962 18.520 51.798 1.00 0.00 ATOM 816 NE2 GLN A 105 2.121 16.813 53.281 1.00 0.00 ATOM 817 O GLN A 105 -2.294 17.035 53.422 1.00 0.00 ATOM 818 C GLN A 105 -2.845 16.925 52.341 1.00 0.00 ATOM 819 N ILE A 106 -4.120 16.640 52.241 1.00 0.00 ATOM 820 CA ILE A 106 -4.968 16.432 53.413 1.00 0.00 ATOM 821 CB ILE A 106 -6.360 17.125 53.253 1.00 0.00 ATOM 822 CG1 ILE A 106 -6.214 18.638 53.040 1.00 0.00 ATOM 823 CG2 ILE A 106 -7.303 16.839 54.462 1.00 0.00 ATOM 824 CD1 ILE A 106 -7.512 19.347 52.769 1.00 0.00 ATOM 825 O ILE A 106 -4.472 14.344 54.509 1.00 0.00 ATOM 826 C ILE A 106 -5.076 14.899 53.583 1.00 0.00 ATOM 827 N LYS A 107 -5.784 14.212 52.691 1.00 0.00 ATOM 828 CA LYS A 107 -5.837 12.748 52.705 1.00 0.00 ATOM 829 CB LYS A 107 -7.177 12.287 52.129 1.00 0.00 ATOM 830 CG LYS A 107 -8.396 12.777 52.891 1.00 0.00 ATOM 831 CD LYS A 107 -8.319 12.450 54.360 1.00 0.00 ATOM 832 CE LYS A 107 -9.696 12.558 55.038 1.00 0.00 ATOM 833 NZ LYS A 107 -10.439 11.258 54.953 1.00 0.00 ATOM 834 O LYS A 107 -4.455 10.876 51.963 1.00 0.00 ATOM 835 C LYS A 107 -4.689 12.092 51.876 1.00 0.00 ATOM 836 N THR A 108 -3.970 12.894 51.095 1.00 0.00 ATOM 837 CA THR A 108 -2.993 12.348 50.154 1.00 0.00 ATOM 838 CB THR A 108 -2.691 13.315 48.977 1.00 0.00 ATOM 839 CG2 THR A 108 -1.657 12.685 48.037 1.00 0.00 ATOM 840 OG1 THR A 108 -3.901 13.607 48.264 1.00 0.00 ATOM 841 O THR A 108 -1.095 12.675 51.561 1.00 0.00 ATOM 842 C THR A 108 -1.700 11.917 50.847 1.00 0.00 ATOM 843 N GLY A 109 -1.286 10.683 50.563 1.00 0.00 ATOM 844 CA GLY A 109 0.015 10.145 50.961 1.00 0.00 ATOM 845 O GLY A 109 -0.193 8.779 49.000 1.00 0.00 ATOM 846 C GLY A 109 0.509 9.130 49.945 1.00 0.00 ATOM 847 N PRO A 110 1.713 8.596 50.176 1.00 0.00 ATOM 848 CA PRO A 110 2.256 7.563 49.293 1.00 0.00 ATOM 849 CB PRO A 110 3.688 7.378 49.815 1.00 0.00 ATOM 850 CG PRO A 110 3.616 7.810 51.251 1.00 0.00 ATOM 851 CD PRO A 110 2.600 8.905 51.310 1.00 0.00 ATOM 852 O PRO A 110 0.915 6.041 50.548 1.00 0.00 ATOM 853 C PRO A 110 1.439 6.287 49.474 1.00 0.00 ATOM 854 N PHE A 111 1.319 5.486 48.431 1.00 0.00 ATOM 855 CA PHE A 111 0.779 4.132 48.617 1.00 0.00 ATOM 856 CB PHE A 111 0.532 3.413 47.271 1.00 0.00 ATOM 857 CG PHE A 111 -0.605 3.989 46.464 1.00 0.00 ATOM 858 CD1 PHE A 111 -1.940 3.624 46.717 1.00 0.00 ATOM 859 CD2 PHE A 111 -0.345 4.854 45.417 1.00 0.00 ATOM 860 CE1 PHE A 111 -2.973 4.148 45.943 1.00 0.00 ATOM 861 CE2 PHE A 111 -1.371 5.380 44.688 1.00 0.00 ATOM 862 CZ PHE A 111 -2.677 4.999 44.933 1.00 0.00 ATOM 863 O PHE A 111 2.983 3.522 49.427 1.00 0.00 ATOM 864 C PHE A 111 1.747 3.314 49.467 1.00 0.00 ATOM 865 N PRO A 112 1.218 2.343 50.214 1.00 0.00 ATOM 866 CA PRO A 112 2.069 1.412 50.976 1.00 0.00 ATOM 867 CB PRO A 112 1.088 0.335 51.431 1.00 0.00 ATOM 868 CG PRO A 112 -0.237 1.078 51.479 1.00 0.00 ATOM 869 CD PRO A 112 -0.214 2.027 50.334 1.00 0.00 ATOM 870 O PRO A 112 2.993 0.355 49.018 1.00 0.00 ATOM 871 C PRO A 112 3.207 0.816 50.131 1.00 0.00 ATOM 872 N GLY A 113 4.419 0.867 50.654 1.00 0.00 ATOM 873 CA GLY A 113 5.532 0.331 49.905 1.00 0.00 ATOM 874 O GLY A 113 7.391 0.928 48.580 1.00 0.00 ATOM 875 C GLY A 113 6.314 1.265 49.022 1.00 0.00 ATOM 876 N ILE A 114 5.724 2.392 48.636 1.00 0.00 ATOM 877 CA ILE A 114 6.355 3.306 47.669 1.00 0.00 ATOM 878 CB ILE A 114 5.313 4.309 47.154 1.00 0.00 ATOM 879 CG1 ILE A 114 4.227 3.613 46.280 1.00 0.00 ATOM 880 CG2 ILE A 114 5.998 5.564 46.498 1.00 0.00 ATOM 881 CD1 ILE A 114 4.788 2.824 45.085 1.00 0.00 ATOM 882 O ILE A 114 8.628 4.097 47.472 1.00 0.00 ATOM 883 C ILE A 114 7.638 4.010 48.179 1.00 0.00 ATOM 884 N LEU A 115 7.599 4.504 49.403 1.00 0.00 ATOM 885 CA LEU A 115 8.808 5.080 50.041 1.00 0.00 ATOM 886 CB LEU A 115 8.475 5.645 51.426 1.00 0.00 ATOM 887 CG LEU A 115 7.568 6.876 51.430 1.00 0.00 ATOM 888 CD1 LEU A 115 7.203 7.325 52.845 1.00 0.00 ATOM 889 CD2 LEU A 115 8.204 8.035 50.638 1.00 0.00 ATOM 890 O LEU A 115 11.132 4.408 49.737 1.00 0.00 ATOM 891 C LEU A 115 9.979 4.065 50.076 1.00 0.00 ATOM 892 N ASP A 116 9.686 2.818 50.425 1.00 0.00 ATOM 893 CA ASP A 116 10.703 1.783 50.413 1.00 0.00 ATOM 894 CB ASP A 116 10.185 0.439 50.971 1.00 0.00 ATOM 895 CG ASP A 116 9.921 0.430 52.510 1.00 0.00 ATOM 896 OD1 ASP A 116 10.369 1.318 53.253 1.00 0.00 ATOM 897 OD2 ASP A 116 9.237 -0.517 52.965 1.00 0.00 ATOM 898 O ASP A 116 12.398 1.358 48.765 1.00 0.00 ATOM 899 C ASP A 116 11.216 1.529 48.980 1.00 0.00 ATOM 900 N LEU A 117 10.309 1.482 48.021 1.00 0.00 ATOM 901 CA LEU A 117 10.694 1.305 46.622 1.00 0.00 ATOM 902 CB LEU A 117 9.437 1.350 45.728 1.00 0.00 ATOM 903 CG LEU A 117 9.577 1.348 44.185 1.00 0.00 ATOM 904 CD1 LEU A 117 10.137 0.057 43.649 1.00 0.00 ATOM 905 CD2 LEU A 117 8.203 1.702 43.512 1.00 0.00 ATOM 906 O LEU A 117 12.709 2.015 45.551 1.00 0.00 ATOM 907 C LEU A 117 11.700 2.337 46.176 1.00 0.00 ATOM 908 N MET A 118 11.405 3.596 46.461 1.00 0.00 ATOM 909 CA MET A 118 12.301 4.700 46.036 1.00 0.00 ATOM 910 CB MET A 118 11.657 6.089 46.245 1.00 0.00 ATOM 911 CG MET A 118 10.319 6.267 45.478 1.00 0.00 ATOM 912 SD MET A 118 10.342 5.752 43.590 1.00 0.00 ATOM 913 CE MET A 118 8.447 5.974 43.198 1.00 0.00 ATOM 914 O MET A 118 14.729 4.796 46.009 1.00 0.00 ATOM 915 C MET A 118 13.694 4.621 46.676 1.00 0.00 ATOM 916 N LYS A 119 13.716 4.323 47.959 1.00 0.00 ATOM 917 CA LYS A 119 14.969 4.136 48.684 1.00 0.00 ATOM 918 CB LYS A 119 14.640 3.831 50.153 1.00 0.00 ATOM 919 CG LYS A 119 15.825 3.586 51.063 1.00 0.00 ATOM 920 CD LYS A 119 15.372 3.499 52.538 1.00 0.00 ATOM 921 O LYS A 119 17.003 3.147 47.855 1.00 0.00 ATOM 922 C LYS A 119 15.780 3.013 48.055 1.00 0.00 ATOM 923 N ASN A 120 15.100 1.893 47.766 1.00 0.00 ATOM 924 CA ASN A 120 15.767 0.705 47.277 1.00 0.00 ATOM 925 CB ASN A 120 14.821 -0.496 47.263 1.00 0.00 ATOM 926 CG ASN A 120 14.459 -1.005 48.666 1.00 0.00 ATOM 927 ND2 ASN A 120 13.440 -1.867 48.732 1.00 0.00 ATOM 928 OD1 ASN A 120 15.059 -0.601 49.673 1.00 0.00 ATOM 929 O ASN A 120 17.400 0.528 45.528 1.00 0.00 ATOM 930 C ASN A 120 16.283 0.942 45.873 1.00 0.00 ATOM 931 N LEU A 121 15.472 1.588 45.029 1.00 0.00 ATOM 932 CA LEU A 121 15.935 1.820 43.641 1.00 0.00 ATOM 933 CB LEU A 121 14.798 2.342 42.762 1.00 0.00 ATOM 934 CG LEU A 121 13.636 1.378 42.442 1.00 0.00 ATOM 935 CD1 LEU A 121 12.566 2.182 41.725 1.00 0.00 ATOM 936 CD2 LEU A 121 14.037 0.145 41.634 1.00 0.00 ATOM 937 O LEU A 121 18.068 2.562 42.811 1.00 0.00 ATOM 938 C LEU A 121 17.143 2.764 43.607 1.00 0.00 ATOM 939 N ARG A 122 17.143 3.805 44.427 1.00 0.00 ATOM 940 CA ARG A 122 18.259 4.755 44.438 1.00 0.00 ATOM 941 CB ARG A 122 17.977 5.940 45.352 1.00 0.00 ATOM 942 CG ARG A 122 16.832 6.805 44.872 1.00 0.00 ATOM 943 CD ARG A 122 16.396 7.803 45.941 1.00 0.00 ATOM 944 NE ARG A 122 17.551 8.524 46.480 1.00 0.00 ATOM 945 CZ ARG A 122 18.219 9.477 45.830 1.00 0.00 ATOM 946 NH1 ARG A 122 17.860 9.863 44.598 1.00 0.00 ATOM 947 NH2 ARG A 122 19.248 10.071 46.425 1.00 0.00 ATOM 948 O ARG A 122 20.588 4.220 44.379 1.00 0.00 ATOM 949 C ARG A 122 19.504 4.004 44.916 1.00 0.00 ATOM 950 N GLN A 123 19.338 3.090 45.871 1.00 0.00 ATOM 951 CA GLN A 123 20.482 2.293 46.375 1.00 0.00 ATOM 952 CB GLN A 123 20.095 1.439 47.597 1.00 0.00 ATOM 953 O GLN A 123 22.279 1.130 45.298 1.00 0.00 ATOM 954 C GLN A 123 21.082 1.418 45.269 1.00 0.00 ATOM 955 N LYS A 124 20.257 0.983 44.311 1.00 0.00 ATOM 956 CA LYS A 124 20.694 0.160 43.182 1.00 0.00 ATOM 957 CB LYS A 124 19.583 -0.787 42.747 1.00 0.00 ATOM 958 CG LYS A 124 19.108 -1.815 43.801 1.00 0.00 ATOM 959 CD LYS A 124 19.999 -3.047 43.785 1.00 0.00 ATOM 960 CE LYS A 124 19.664 -4.047 44.895 1.00 0.00 ATOM 961 O LYS A 124 21.498 0.437 40.956 1.00 0.00 ATOM 962 C LYS A 124 21.142 0.998 41.986 1.00 0.00 ATOM 963 N GLY A 125 21.166 2.326 42.148 1.00 0.00 ATOM 964 CA GLY A 125 21.708 3.258 41.165 1.00 0.00 ATOM 965 O GLY A 125 21.192 4.172 39.052 1.00 0.00 ATOM 966 C GLY A 125 20.756 3.658 40.058 1.00 0.00 ATOM 967 N VAL A 126 19.465 3.443 40.240 1.00 0.00 ATOM 968 CA VAL A 126 18.455 3.799 39.226 1.00 0.00 ATOM 969 CB VAL A 126 17.170 2.907 39.326 1.00 0.00 ATOM 970 CG1 VAL A 126 16.143 3.288 38.247 1.00 0.00 ATOM 971 CG2 VAL A 126 17.539 1.409 39.258 1.00 0.00 ATOM 972 O VAL A 126 17.799 5.671 40.588 1.00 0.00 ATOM 973 C VAL A 126 18.085 5.252 39.447 1.00 0.00 ATOM 974 N LYS A 127 18.090 6.045 38.370 1.00 0.00 ATOM 975 CA LYS A 127 17.638 7.428 38.421 1.00 0.00 ATOM 976 CB LYS A 127 18.154 8.175 37.189 1.00 0.00 ATOM 977 CG LYS A 127 19.641 8.321 37.113 1.00 0.00 ATOM 978 CD LYS A 127 20.064 9.296 36.048 1.00 0.00 ATOM 979 CE LYS A 127 21.558 9.547 36.077 1.00 0.00 ATOM 980 NZ LYS A 127 21.801 10.974 35.701 1.00 0.00 ATOM 981 O LYS A 127 15.482 6.671 37.753 1.00 0.00 ATOM 982 C LYS A 127 16.116 7.457 38.450 1.00 0.00 ATOM 983 N LEU A 128 15.523 8.368 39.238 1.00 0.00 ATOM 984 CA LEU A 128 14.091 8.391 39.456 1.00 0.00 ATOM 985 CB LEU A 128 13.722 8.095 40.899 1.00 0.00 ATOM 986 CG LEU A 128 14.309 6.853 41.593 1.00 0.00 ATOM 987 CD1 LEU A 128 13.882 6.883 43.106 1.00 0.00 ATOM 988 CD2 LEU A 128 13.871 5.536 40.877 1.00 0.00 ATOM 989 O LEU A 128 14.081 10.774 39.334 1.00 0.00 ATOM 990 C LEU A 128 13.524 9.749 39.067 1.00 0.00 ATOM 991 N ALA A 129 12.383 9.726 38.401 1.00 0.00 ATOM 992 CA ALA A 129 11.671 10.948 37.941 1.00 0.00 ATOM 993 CB ALA A 129 12.073 11.297 36.496 1.00 0.00 ATOM 994 O ALA A 129 9.654 9.666 38.132 1.00 0.00 ATOM 995 C ALA A 129 10.169 10.782 38.055 1.00 0.00 ATOM 996 N VAL A 130 9.487 11.923 38.112 1.00 0.00 ATOM 997 CA VAL A 130 8.026 12.030 38.060 1.00 0.00 ATOM 998 CB VAL A 130 7.436 12.678 39.311 1.00 0.00 ATOM 999 CG1 VAL A 130 5.855 12.843 39.165 1.00 0.00 ATOM 1000 CG2 VAL A 130 7.820 11.923 40.537 1.00 0.00 ATOM 1001 O VAL A 130 8.222 13.981 36.696 1.00 0.00 ATOM 1002 C VAL A 130 7.668 12.907 36.865 1.00 0.00 ATOM 1003 N VAL A 131 6.797 12.391 36.024 1.00 0.00 ATOM 1004 CA VAL A 131 6.227 13.144 34.900 1.00 0.00 ATOM 1005 CB VAL A 131 6.882 12.784 33.557 1.00 0.00 ATOM 1006 CG1 VAL A 131 6.171 13.528 32.400 1.00 0.00 ATOM 1007 CG2 VAL A 131 8.370 13.102 33.594 1.00 0.00 ATOM 1008 O VAL A 131 4.278 11.720 34.747 1.00 0.00 ATOM 1009 C VAL A 131 4.728 12.858 34.932 1.00 0.00 ATOM 1010 N SER A 132 3.946 13.893 35.185 1.00 0.00 ATOM 1011 CA SER A 132 2.514 13.768 35.550 1.00 0.00 ATOM 1012 CB SER A 132 2.415 13.965 37.060 1.00 0.00 ATOM 1013 OG SER A 132 1.091 14.087 37.530 1.00 0.00 ATOM 1014 O SER A 132 2.127 15.967 34.603 1.00 0.00 ATOM 1015 C SER A 132 1.673 14.840 34.820 1.00 0.00 ATOM 1016 N ASN A 133 0.418 14.499 34.536 1.00 0.00 ATOM 1017 CA ASN A 133 -0.565 15.467 34.002 1.00 0.00 ATOM 1018 CB ASN A 133 -1.682 14.780 33.147 1.00 0.00 ATOM 1019 CG ASN A 133 -1.255 14.575 31.677 1.00 0.00 ATOM 1020 ND2 ASN A 133 -1.981 13.719 30.961 1.00 0.00 ATOM 1021 OD1 ASN A 133 -0.264 15.174 31.229 1.00 0.00 ATOM 1022 O ASN A 133 -2.005 17.190 34.779 1.00 0.00 ATOM 1023 C ASN A 133 -1.239 16.285 35.098 1.00 0.00 ATOM 1024 N LYS A 134 -0.866 16.046 36.356 1.00 0.00 ATOM 1025 CA LYS A 134 -1.272 16.937 37.461 1.00 0.00 ATOM 1026 CB LYS A 134 -0.842 16.353 38.796 1.00 0.00 ATOM 1027 CG LYS A 134 -1.214 17.223 39.994 1.00 0.00 ATOM 1028 CD LYS A 134 -0.754 16.582 41.338 1.00 0.00 ATOM 1029 CE LYS A 134 -1.330 15.199 41.616 1.00 0.00 ATOM 1030 NZ LYS A 134 -2.826 15.153 41.607 1.00 0.00 ATOM 1031 O LYS A 134 0.526 18.395 36.824 1.00 0.00 ATOM 1032 C LYS A 134 -0.634 18.313 37.255 1.00 0.00 ATOM 1033 N PRO A 135 -1.369 19.394 37.486 1.00 0.00 ATOM 1034 CA PRO A 135 -0.684 20.667 37.303 1.00 0.00 ATOM 1035 CB PRO A 135 -1.686 21.701 37.865 1.00 0.00 ATOM 1036 CG PRO A 135 -3.007 21.022 37.672 1.00 0.00 ATOM 1037 CD PRO A 135 -2.753 19.577 37.965 1.00 0.00 ATOM 1038 O PRO A 135 0.761 20.299 39.210 1.00 0.00 ATOM 1039 C PRO A 135 0.639 20.757 38.050 1.00 0.00 ATOM 1040 N ASN A 136 1.636 21.329 37.382 1.00 0.00 ATOM 1041 CA ASN A 136 2.982 21.385 37.931 1.00 0.00 ATOM 1042 CB ASN A 136 3.900 22.164 37.000 1.00 0.00 ATOM 1043 CG ASN A 136 5.370 22.045 37.383 1.00 0.00 ATOM 1044 ND2 ASN A 136 6.021 23.175 37.585 1.00 0.00 ATOM 1045 OD1 ASN A 136 5.921 20.962 37.476 1.00 0.00 ATOM 1046 O ASN A 136 3.867 21.516 40.131 1.00 0.00 ATOM 1047 C ASN A 136 3.088 21.979 39.348 1.00 0.00 ATOM 1048 N GLU A 137 2.331 23.024 39.651 1.00 0.00 ATOM 1049 CA GLU A 137 2.413 23.665 40.959 1.00 0.00 ATOM 1050 CB GLU A 137 1.460 24.851 40.995 1.00 0.00 ATOM 1051 CG GLU A 137 -0.026 24.498 40.803 1.00 0.00 ATOM 1052 CD GLU A 137 -0.535 24.555 39.341 1.00 0.00 ATOM 1053 OE1 GLU A 137 0.303 24.603 38.348 1.00 0.00 ATOM 1054 OE2 GLU A 137 -1.810 24.551 39.231 1.00 0.00 ATOM 1055 O GLU A 137 2.800 22.630 43.111 1.00 0.00 ATOM 1056 C GLU A 137 2.111 22.658 42.077 1.00 0.00 ATOM 1057 N ALA A 138 1.118 21.791 41.849 1.00 0.00 ATOM 1058 CA ALA A 138 0.722 20.779 42.827 1.00 0.00 ATOM 1059 CB ALA A 138 -0.669 20.227 42.524 1.00 0.00 ATOM 1060 O ALA A 138 2.138 19.132 43.900 1.00 0.00 ATOM 1061 C ALA A 138 1.753 19.617 42.838 1.00 0.00 ATOM 1062 N VAL A 139 2.270 19.232 41.677 1.00 0.00 ATOM 1063 CA VAL A 139 3.314 18.231 41.617 1.00 0.00 ATOM 1064 CB VAL A 139 3.781 17.954 40.158 1.00 0.00 ATOM 1065 CG1 VAL A 139 5.116 17.083 40.147 1.00 0.00 ATOM 1066 CG2 VAL A 139 2.643 17.220 39.354 1.00 0.00 ATOM 1067 O VAL A 139 5.085 17.850 43.228 1.00 0.00 ATOM 1068 C VAL A 139 4.538 18.651 42.464 1.00 0.00 ATOM 1069 N GLN A 140 5.014 19.872 42.254 1.00 0.00 ATOM 1070 CA GLN A 140 6.188 20.367 42.966 1.00 0.00 ATOM 1071 CB GLN A 140 6.610 21.741 42.419 1.00 0.00 ATOM 1072 CG GLN A 140 7.019 21.785 40.944 1.00 0.00 ATOM 1073 CD GLN A 140 8.092 20.804 40.585 1.00 0.00 ATOM 1074 OE1 GLN A 140 8.997 20.502 41.386 1.00 0.00 ATOM 1075 NE2 GLN A 140 8.000 20.284 39.380 1.00 0.00 ATOM 1076 O GLN A 140 6.903 19.965 45.250 1.00 0.00 ATOM 1077 C GLN A 140 6.001 20.392 44.504 1.00 0.00 ATOM 1078 N VAL A 141 4.840 20.840 44.978 1.00 0.00 ATOM 1079 CA VAL A 141 4.544 20.838 46.398 1.00 0.00 ATOM 1080 CB VAL A 141 3.161 21.453 46.737 1.00 0.00 ATOM 1081 CG1 VAL A 141 2.791 21.201 48.198 1.00 0.00 ATOM 1082 CG2 VAL A 141 3.193 22.931 46.544 1.00 0.00 ATOM 1083 O VAL A 141 5.158 19.152 48.016 1.00 0.00 ATOM 1084 C VAL A 141 4.596 19.411 46.961 1.00 0.00 ATOM 1085 N LEU A 142 3.982 18.492 46.263 1.00 0.00 ATOM 1086 CA LEU A 142 3.868 17.142 46.746 1.00 0.00 ATOM 1087 CB LEU A 142 2.812 16.412 45.913 1.00 0.00 ATOM 1088 CG LEU A 142 1.345 16.845 46.196 1.00 0.00 ATOM 1089 CD1 LEU A 142 0.412 16.242 45.167 1.00 0.00 ATOM 1090 CD2 LEU A 142 0.937 16.412 47.660 1.00 0.00 ATOM 1091 O LEU A 142 5.515 15.652 47.728 1.00 0.00 ATOM 1092 C LEU A 142 5.210 16.408 46.785 1.00 0.00 ATOM 1093 N VAL A 143 6.026 16.622 45.755 1.00 0.00 ATOM 1094 CA VAL A 143 7.320 15.975 45.701 1.00 0.00 ATOM 1095 CB VAL A 143 8.021 16.159 44.340 1.00 0.00 ATOM 1096 CG1 VAL A 143 9.512 15.823 44.477 1.00 0.00 ATOM 1097 CG2 VAL A 143 7.354 15.271 43.322 1.00 0.00 ATOM 1098 O VAL A 143 8.876 15.768 47.504 1.00 0.00 ATOM 1099 C VAL A 143 8.177 16.532 46.826 1.00 0.00 ATOM 1100 N GLU A 144 8.125 17.846 47.034 1.00 0.00 ATOM 1101 CA GLU A 144 8.959 18.480 48.058 1.00 0.00 ATOM 1102 CB GLU A 144 8.888 20.017 47.974 1.00 0.00 ATOM 1103 CG GLU A 144 9.629 20.783 49.103 1.00 0.00 ATOM 1104 O GLU A 144 9.441 17.836 50.298 1.00 0.00 ATOM 1105 C GLU A 144 8.571 18.031 49.455 1.00 0.00 ATOM 1106 N GLU A 145 7.277 17.848 49.684 1.00 0.00 ATOM 1107 CA GLU A 145 6.786 17.527 51.008 1.00 0.00 ATOM 1108 CB GLU A 145 5.359 18.020 51.228 1.00 0.00 ATOM 1109 CG GLU A 145 5.237 19.566 51.229 1.00 0.00 ATOM 1110 CD GLU A 145 6.230 20.262 52.189 1.00 0.00 ATOM 1111 OE1 GLU A 145 6.252 19.924 53.407 1.00 0.00 ATOM 1112 OE2 GLU A 145 7.006 21.128 51.716 1.00 0.00 ATOM 1113 O GLU A 145 7.198 15.673 52.419 1.00 0.00 ATOM 1114 C GLU A 145 6.837 16.058 51.300 1.00 0.00 ATOM 1115 N LEU A 146 6.516 15.222 50.316 1.00 0.00 ATOM 1116 CA LEU A 146 6.410 13.770 50.549 1.00 0.00 ATOM 1117 CB LEU A 146 5.103 13.232 49.972 1.00 0.00 ATOM 1118 CG LEU A 146 3.809 13.892 50.439 1.00 0.00 ATOM 1119 CD1 LEU A 146 2.584 13.383 49.690 1.00 0.00 ATOM 1120 CD2 LEU A 146 3.615 13.702 51.941 1.00 0.00 ATOM 1121 O LEU A 146 7.843 11.851 50.484 1.00 0.00 ATOM 1122 C LEU A 146 7.607 12.968 50.012 1.00 0.00 ATOM 1123 N PHE A 147 8.368 13.524 49.058 1.00 0.00 ATOM 1124 CA PHE A 147 9.541 12.814 48.524 1.00 0.00 ATOM 1125 CB PHE A 147 9.210 12.235 47.142 1.00 0.00 ATOM 1126 CG PHE A 147 8.021 11.331 47.099 1.00 0.00 ATOM 1127 CD1 PHE A 147 8.143 9.974 47.378 1.00 0.00 ATOM 1128 CD2 PHE A 147 6.801 11.800 46.620 1.00 0.00 ATOM 1129 CE1 PHE A 147 7.030 9.145 47.246 1.00 0.00 ATOM 1130 CE2 PHE A 147 5.705 10.966 46.492 1.00 0.00 ATOM 1131 CZ PHE A 147 5.821 9.649 46.803 1.00 0.00 ATOM 1132 O PHE A 147 11.434 13.707 47.322 1.00 0.00 ATOM 1133 C PHE A 147 10.791 13.686 48.381 1.00 0.00 ATOM 1134 N PRO A 148 11.161 14.411 49.444 1.00 0.00 ATOM 1135 CA PRO A 148 12.323 15.313 49.336 1.00 0.00 ATOM 1136 CB PRO A 148 12.355 16.032 50.693 1.00 0.00 ATOM 1137 CG PRO A 148 11.575 15.148 51.616 1.00 0.00 ATOM 1138 CD PRO A 148 10.558 14.425 50.791 1.00 0.00 ATOM 1139 O PRO A 148 13.877 13.512 49.729 1.00 0.00 ATOM 1140 C PRO A 148 13.621 14.543 49.091 1.00 0.00 ATOM 1141 N GLY A 149 14.405 15.018 48.134 1.00 0.00 ATOM 1142 CA GLY A 149 15.642 14.342 47.748 1.00 0.00 ATOM 1143 O GLY A 149 16.606 12.446 46.653 1.00 0.00 ATOM 1144 C GLY A 149 15.562 13.021 46.981 1.00 0.00 ATOM 1145 N SER A 150 14.358 12.541 46.680 1.00 0.00 ATOM 1146 CA SER A 150 14.177 11.231 46.023 1.00 0.00 ATOM 1147 CB SER A 150 12.786 10.660 46.313 1.00 0.00 ATOM 1148 OG SER A 150 12.762 10.115 47.612 1.00 0.00 ATOM 1149 O SER A 150 14.939 10.335 43.920 1.00 0.00 ATOM 1150 C SER A 150 14.368 11.269 44.511 1.00 0.00 ATOM 1151 N PHE A 151 13.892 12.347 43.893 1.00 0.00 ATOM 1152 CA PHE A 151 13.783 12.417 42.447 1.00 0.00 ATOM 1153 CB PHE A 151 12.348 12.873 42.043 1.00 0.00 ATOM 1154 CG PHE A 151 11.294 11.882 42.393 1.00 0.00 ATOM 1155 CD1 PHE A 151 11.215 10.666 41.716 1.00 0.00 ATOM 1156 CD2 PHE A 151 10.387 12.129 43.418 1.00 0.00 ATOM 1157 CE1 PHE A 151 10.234 9.706 42.046 1.00 0.00 ATOM 1158 CE2 PHE A 151 9.421 11.154 43.762 1.00 0.00 ATOM 1159 CZ PHE A 151 9.344 9.962 43.077 1.00 0.00 ATOM 1160 O PHE A 151 15.132 14.405 42.317 1.00 0.00 ATOM 1161 C PHE A 151 14.813 13.313 41.815 1.00 0.00 ATOM 1162 N ASP A 152 15.348 12.854 40.704 1.00 0.00 ATOM 1163 CA ASP A 152 16.285 13.633 39.946 1.00 0.00 ATOM 1164 CB ASP A 152 17.106 12.692 39.073 1.00 0.00 ATOM 1165 CG ASP A 152 17.886 11.679 39.910 1.00 0.00 ATOM 1166 OD1 ASP A 152 18.555 12.108 40.851 1.00 0.00 ATOM 1167 OD2 ASP A 152 17.783 10.448 39.686 1.00 0.00 ATOM 1168 O ASP A 152 16.230 15.592 38.597 1.00 0.00 ATOM 1169 C ASP A 152 15.588 14.672 39.079 1.00 0.00 ATOM 1170 N PHE A 153 14.274 14.485 38.869 1.00 0.00 ATOM 1171 CA PHE A 153 13.488 15.311 37.986 1.00 0.00 ATOM 1172 CB PHE A 153 13.726 14.901 36.526 1.00 0.00 ATOM 1173 CG PHE A 153 12.941 15.722 35.509 1.00 0.00 ATOM 1174 CD1 PHE A 153 13.464 16.910 35.014 1.00 0.00 ATOM 1175 CD2 PHE A 153 11.704 15.301 35.051 1.00 0.00 ATOM 1176 CE1 PHE A 153 12.753 17.649 34.087 1.00 0.00 ATOM 1177 CE2 PHE A 153 11.014 16.041 34.129 1.00 0.00 ATOM 1178 CZ PHE A 153 11.535 17.213 33.659 1.00 0.00 ATOM 1179 O PHE A 153 11.572 14.025 38.560 1.00 0.00 ATOM 1180 C PHE A 153 12.019 15.137 38.334 1.00 0.00 ATOM 1181 N ALA A 154 11.272 16.231 38.344 1.00 0.00 ATOM 1182 CA ALA A 154 9.838 16.168 38.588 1.00 0.00 ATOM 1183 CB ALA A 154 9.485 16.296 40.085 1.00 0.00 ATOM 1184 O ALA A 154 9.668 18.414 37.780 1.00 0.00 ATOM 1185 C ALA A 154 9.190 17.272 37.780 1.00 0.00 ATOM 1186 N LEU A 155 8.164 16.911 37.020 1.00 0.00 ATOM 1187 CA LEU A 155 7.443 17.873 36.191 1.00 0.00 ATOM 1188 CB LEU A 155 8.026 17.872 34.784 1.00 0.00 ATOM 1189 CG LEU A 155 7.395 18.860 33.787 1.00 0.00 ATOM 1190 CD1 LEU A 155 7.600 20.317 34.246 1.00 0.00 ATOM 1191 CD2 LEU A 155 8.003 18.576 32.381 1.00 0.00 ATOM 1192 O LEU A 155 5.617 16.352 35.820 1.00 0.00 ATOM 1193 C LEU A 155 5.962 17.502 36.101 1.00 0.00 ATOM 1194 N GLY A 156 5.089 18.499 36.302 1.00 0.00 ATOM 1195 CA GLY A 156 3.694 18.399 35.977 1.00 0.00 ATOM 1196 O GLY A 156 4.102 19.941 34.203 1.00 0.00 ATOM 1197 C GLY A 156 3.286 19.274 34.791 1.00 0.00 ATOM 1198 N GLU A 157 2.000 19.279 34.476 1.00 0.00 ATOM 1199 CA GLU A 157 1.464 19.976 33.345 1.00 0.00 ATOM 1200 CB GLU A 157 0.029 19.503 33.098 1.00 0.00 ATOM 1201 CG GLU A 157 -0.694 20.162 31.931 1.00 0.00 ATOM 1202 CD GLU A 157 -1.434 21.442 32.312 1.00 0.00 ATOM 1203 OE1 GLU A 157 -2.128 21.466 33.392 1.00 0.00 ATOM 1204 OE2 GLU A 157 -1.310 22.421 31.521 1.00 0.00 ATOM 1205 O GLU A 157 1.303 22.043 34.631 1.00 0.00 ATOM 1206 C GLU A 157 1.556 21.498 33.532 1.00 0.00 ATOM 1207 N LYS A 158 1.909 22.178 32.438 1.00 0.00 ATOM 1208 CA LYS A 158 2.067 23.627 32.398 1.00 0.00 ATOM 1209 CB LYS A 158 3.544 24.028 32.351 1.00 0.00 ATOM 1210 CG LYS A 158 4.301 23.695 33.626 1.00 0.00 ATOM 1211 CD LYS A 158 5.632 24.420 33.764 1.00 0.00 ATOM 1212 CE LYS A 158 6.777 23.697 33.133 1.00 0.00 ATOM 1213 NZ LYS A 158 8.090 24.053 33.816 1.00 0.00 ATOM 1214 O LYS A 158 1.604 23.473 30.067 1.00 0.00 ATOM 1215 C LYS A 158 1.437 24.102 31.109 1.00 0.00 ATOM 1216 N SER A 159 0.766 25.238 31.192 1.00 0.00 ATOM 1217 CA SER A 159 0.294 25.970 30.033 1.00 0.00 ATOM 1218 CB SER A 159 -0.244 27.342 30.447 1.00 0.00 ATOM 1219 OG SER A 159 -1.395 27.627 29.670 1.00 0.00 ATOM 1220 O SER A 159 2.488 26.620 29.338 1.00 0.00 ATOM 1221 C SER A 159 1.383 26.184 29.005 1.00 0.00 ATOM 1222 N GLY A 160 1.071 25.863 27.759 1.00 0.00 ATOM 1223 CA GLY A 160 1.993 26.092 26.674 1.00 0.00 ATOM 1224 O GLY A 160 3.689 25.002 25.386 1.00 0.00 ATOM 1225 C GLY A 160 2.922 24.933 26.344 1.00 0.00 ATOM 1226 N ILE A 161 2.850 23.862 27.144 1.00 0.00 ATOM 1227 CA ILE A 161 3.603 22.647 26.881 1.00 0.00 ATOM 1228 CB ILE A 161 4.623 22.414 27.985 1.00 0.00 ATOM 1229 CG1 ILE A 161 5.575 23.622 28.066 1.00 0.00 ATOM 1230 CG2 ILE A 161 5.419 21.095 27.767 1.00 0.00 ATOM 1231 CD1 ILE A 161 6.501 23.754 26.831 1.00 0.00 ATOM 1232 O ILE A 161 1.784 21.307 27.739 1.00 0.00 ATOM 1233 C ILE A 161 2.624 21.469 26.827 1.00 0.00 ATOM 1234 N ARG A 162 2.701 20.669 25.777 1.00 0.00 ATOM 1235 CA ARG A 162 1.730 19.571 25.620 1.00 0.00 ATOM 1236 CB ARG A 162 1.895 18.827 24.292 1.00 0.00 ATOM 1237 CG ARG A 162 1.706 19.695 23.091 1.00 0.00 ATOM 1238 CD ARG A 162 1.724 18.920 21.829 1.00 0.00 ATOM 1239 NE ARG A 162 3.019 18.264 21.551 1.00 0.00 ATOM 1240 CZ ARG A 162 3.280 17.561 20.448 1.00 0.00 ATOM 1241 NH1 ARG A 162 2.328 17.375 19.545 1.00 0.00 ATOM 1242 NH2 ARG A 162 4.452 16.987 20.272 1.00 0.00 ATOM 1243 O ARG A 162 2.786 18.136 27.285 1.00 0.00 ATOM 1244 C ARG A 162 1.727 18.559 26.786 1.00 0.00 ATOM 1245 N ARG A 163 0.503 18.165 27.175 1.00 0.00 ATOM 1246 CA ARG A 163 0.313 17.163 28.179 1.00 0.00 ATOM 1247 CB ARG A 163 -1.123 17.239 28.688 1.00 0.00 ATOM 1248 CG ARG A 163 -2.146 16.872 27.585 1.00 0.00 ATOM 1249 CD ARG A 163 -3.522 16.656 28.222 1.00 0.00 ATOM 1250 NE ARG A 163 -4.576 16.435 27.219 1.00 0.00 ATOM 1251 CZ ARG A 163 -4.911 15.263 26.696 1.00 0.00 ATOM 1252 NH1 ARG A 163 -4.273 14.140 27.003 1.00 0.00 ATOM 1253 NH2 ARG A 163 -5.916 15.216 25.835 1.00 0.00 ATOM 1254 O ARG A 163 0.733 15.585 26.440 1.00 0.00 ATOM 1255 C ARG A 163 0.636 15.780 27.640 1.00 0.00 ATOM 1256 N LYS A 164 0.775 14.839 28.550 1.00 0.00 ATOM 1257 CA LYS A 164 0.873 13.421 28.191 1.00 0.00 ATOM 1258 CB LYS A 164 1.045 12.528 29.436 1.00 0.00 ATOM 1259 CG LYS A 164 2.335 12.666 30.262 1.00 0.00 ATOM 1260 CD LYS A 164 2.097 12.254 31.733 1.00 0.00 ATOM 1261 CE LYS A 164 1.685 10.801 31.825 1.00 0.00 ATOM 1262 NZ LYS A 164 1.281 10.408 33.214 1.00 0.00 ATOM 1263 O LYS A 164 -1.551 13.603 27.959 1.00 0.00 ATOM 1264 C LYS A 164 -0.480 13.107 27.511 1.00 0.00 ATOM 1265 N PRO A 165 -0.478 12.238 26.498 1.00 0.00 ATOM 1266 CA PRO A 165 0.606 11.380 26.026 1.00 0.00 ATOM 1267 CB PRO A 165 -0.156 10.146 25.540 1.00 0.00 ATOM 1268 CG PRO A 165 -1.419 10.686 24.953 1.00 0.00 ATOM 1269 CD PRO A 165 -1.757 11.910 25.804 1.00 0.00 ATOM 1270 O PRO A 165 2.288 11.125 24.402 1.00 0.00 ATOM 1271 C PRO A 165 1.515 11.927 24.935 1.00 0.00 ATOM 1272 N ALA A 166 1.507 13.255 24.674 1.00 0.00 ATOM 1273 CA ALA A 166 2.552 13.830 23.812 1.00 0.00 ATOM 1274 CB ALA A 166 2.386 15.349 23.628 1.00 0.00 ATOM 1275 O ALA A 166 3.951 13.434 25.711 1.00 0.00 ATOM 1276 C ALA A 166 3.887 13.534 24.467 1.00 0.00 ATOM 1277 N PRO A 167 4.949 13.384 23.657 1.00 0.00 ATOM 1278 CA PRO A 167 6.237 13.040 24.277 1.00 0.00 ATOM 1279 CB PRO A 167 7.078 12.569 23.091 1.00 0.00 ATOM 1280 CG PRO A 167 6.475 13.212 21.922 1.00 0.00 ATOM 1281 CD PRO A 167 5.011 13.348 22.197 1.00 0.00 ATOM 1282 O PRO A 167 8.006 13.939 25.610 1.00 0.00 ATOM 1283 C PRO A 167 6.970 14.191 24.976 1.00 0.00 ATOM 1284 N ASP A 168 6.478 15.422 24.860 1.00 0.00 ATOM 1285 CA ASP A 168 7.285 16.555 25.210 1.00 0.00 ATOM 1286 CB ASP A 168 6.501 17.852 24.995 1.00 0.00 ATOM 1287 CG ASP A 168 5.974 18.030 23.571 1.00 0.00 ATOM 1288 OD1 ASP A 168 5.379 17.090 23.023 1.00 0.00 ATOM 1289 OD2 ASP A 168 6.105 19.132 23.016 1.00 0.00 ATOM 1290 O ASP A 168 8.967 16.826 26.949 1.00 0.00 ATOM 1291 C ASP A 168 7.802 16.529 26.662 1.00 0.00 ATOM 1292 N MET A 169 6.914 16.263 27.608 1.00 0.00 ATOM 1293 CA MET A 169 7.328 16.342 29.030 1.00 0.00 ATOM 1294 CB MET A 169 6.128 16.282 29.948 1.00 0.00 ATOM 1295 CG MET A 169 5.073 17.368 29.664 1.00 0.00 ATOM 1296 SD MET A 169 3.424 17.070 30.671 1.00 0.00 ATOM 1297 CE MET A 169 4.220 17.592 32.124 1.00 0.00 ATOM 1298 O MET A 169 9.286 15.474 30.078 1.00 0.00 ATOM 1299 C MET A 169 8.335 15.247 29.359 1.00 0.00 ATOM 1300 N THR A 170 8.116 14.045 28.854 1.00 0.00 ATOM 1301 CA THR A 170 9.052 12.936 29.082 1.00 0.00 ATOM 1302 CB THR A 170 8.400 11.583 28.699 1.00 0.00 ATOM 1303 CG2 THR A 170 9.411 10.401 28.805 1.00 0.00 ATOM 1304 OG1 THR A 170 7.280 11.372 29.588 1.00 0.00 ATOM 1305 O THR A 170 11.444 12.773 28.833 1.00 0.00 ATOM 1306 C THR A 170 10.386 13.186 28.351 1.00 0.00 ATOM 1307 N SER A 171 10.351 13.897 27.214 1.00 0.00 ATOM 1308 CA SER A 171 11.584 14.256 26.513 1.00 0.00 ATOM 1309 CB SER A 171 11.324 14.835 25.141 1.00 0.00 ATOM 1310 OG SER A 171 10.823 13.843 24.250 1.00 0.00 ATOM 1311 O SER A 171 13.635 15.197 27.385 1.00 0.00 ATOM 1312 C SER A 171 12.401 15.268 27.362 1.00 0.00 ATOM 1313 N GLU A 172 11.706 16.188 28.057 1.00 0.00 ATOM 1314 CA GLU A 172 12.326 17.101 29.059 1.00 0.00 ATOM 1315 CB GLU A 172 11.305 18.040 29.730 1.00 0.00 ATOM 1316 CG GLU A 172 10.786 19.246 28.910 1.00 0.00 ATOM 1317 CD GLU A 172 11.893 20.123 28.383 1.00 0.00 ATOM 1318 OE1 GLU A 172 12.715 20.603 29.203 1.00 0.00 ATOM 1319 OE2 GLU A 172 11.952 20.315 27.151 1.00 0.00 ATOM 1320 O GLU A 172 14.112 16.746 30.670 1.00 0.00 ATOM 1321 C GLU A 172 13.048 16.334 30.189 1.00 0.00 ATOM 1322 N CYS A 173 12.404 15.264 30.648 1.00 0.00 ATOM 1323 CA CYS A 173 12.973 14.358 31.639 1.00 0.00 ATOM 1324 CB CYS A 173 11.887 13.419 32.092 1.00 0.00 ATOM 1325 SG CYS A 173 12.465 12.219 33.276 1.00 0.00 ATOM 1326 O CYS A 173 15.275 13.554 31.749 1.00 0.00 ATOM 1327 C CYS A 173 14.223 13.590 31.110 1.00 0.00 ATOM 1328 N VAL A 174 14.059 12.956 29.953 1.00 0.00 ATOM 1329 CA VAL A 174 15.119 12.215 29.273 1.00 0.00 ATOM 1330 CB VAL A 174 14.563 11.597 27.935 1.00 0.00 ATOM 1331 CG1 VAL A 174 15.668 11.280 26.935 1.00 0.00 ATOM 1332 CG2 VAL A 174 13.697 10.371 28.294 1.00 0.00 ATOM 1333 O VAL A 174 17.483 12.609 29.340 1.00 0.00 ATOM 1334 C VAL A 174 16.369 13.074 29.076 1.00 0.00 ATOM 1335 N LYS A 175 16.173 14.311 28.631 1.00 0.00 ATOM 1336 CA LYS A 175 17.231 15.295 28.456 1.00 0.00 ATOM 1337 CB LYS A 175 16.610 16.543 27.852 1.00 0.00 ATOM 1338 CG LYS A 175 17.396 17.762 27.677 1.00 0.00 ATOM 1339 CD LYS A 175 16.502 18.703 26.775 1.00 0.00 ATOM 1340 CE LYS A 175 16.244 20.076 27.378 1.00 0.00 ATOM 1341 NZ LYS A 175 15.071 20.795 26.757 1.00 0.00 ATOM 1342 O LYS A 175 19.204 15.400 29.807 1.00 0.00 ATOM 1343 C LYS A 175 17.976 15.520 29.771 1.00 0.00 ATOM 1344 N VAL A 176 17.239 15.738 30.862 1.00 0.00 ATOM 1345 CA VAL A 176 17.896 16.029 32.125 1.00 0.00 ATOM 1346 CB VAL A 176 16.882 16.548 33.159 1.00 0.00 ATOM 1347 CG1 VAL A 176 17.497 16.635 34.618 1.00 0.00 ATOM 1348 CG2 VAL A 176 16.362 17.905 32.692 1.00 0.00 ATOM 1349 O VAL A 176 19.756 14.864 33.190 1.00 0.00 ATOM 1350 C VAL A 176 18.641 14.771 32.682 1.00 0.00 ATOM 1351 N LEU A 177 17.991 13.618 32.623 1.00 0.00 ATOM 1352 CA LEU A 177 18.560 12.395 33.197 1.00 0.00 ATOM 1353 CB LEU A 177 17.566 11.223 33.276 1.00 0.00 ATOM 1354 CG LEU A 177 16.400 11.453 34.234 1.00 0.00 ATOM 1355 CD1 LEU A 177 15.549 10.177 34.437 1.00 0.00 ATOM 1356 CD2 LEU A 177 16.812 11.992 35.573 1.00 0.00 ATOM 1357 O LEU A 177 20.667 11.336 32.918 1.00 0.00 ATOM 1358 C LEU A 177 19.757 11.943 32.379 1.00 0.00 ATOM 1359 N GLY A 178 19.753 12.182 31.074 1.00 0.00 ATOM 1360 CA GLY A 178 20.873 11.762 30.236 1.00 0.00 ATOM 1361 O GLY A 178 22.012 9.761 29.542 1.00 0.00 ATOM 1362 C GLY A 178 20.959 10.258 29.946 1.00 0.00 ATOM 1363 N VAL A 179 19.837 9.550 30.119 1.00 0.00 ATOM 1364 CA VAL A 179 19.766 8.097 29.925 1.00 0.00 ATOM 1365 CB VAL A 179 18.958 7.427 31.101 1.00 0.00 ATOM 1366 CG1 VAL A 179 18.850 5.955 30.895 1.00 0.00 ATOM 1367 CG2 VAL A 179 19.635 7.732 32.396 1.00 0.00 ATOM 1368 O VAL A 179 18.118 8.433 28.210 1.00 0.00 ATOM 1369 C VAL A 179 19.118 7.798 28.578 1.00 0.00 ATOM 1370 N PRO A 180 19.694 6.844 27.807 1.00 0.00 ATOM 1371 CA PRO A 180 19.071 6.468 26.552 1.00 0.00 ATOM 1372 CB PRO A 180 20.005 5.374 25.999 1.00 0.00 ATOM 1373 CG PRO A 180 21.324 5.625 26.667 1.00 0.00 ATOM 1374 CD PRO A 180 20.951 6.116 28.047 1.00 0.00 ATOM 1375 O PRO A 180 17.382 5.266 27.805 1.00 0.00 ATOM 1376 C PRO A 180 17.659 5.926 26.782 1.00 0.00 ATOM 1377 N ARG A 181 16.763 6.225 25.856 1.00 0.00 ATOM 1378 CA ARG A 181 15.361 5.801 25.988 1.00 0.00 ATOM 1379 CB ARG A 181 14.541 6.318 24.821 1.00 0.00 ATOM 1380 CG ARG A 181 14.419 7.821 24.827 1.00 0.00 ATOM 1381 CD ARG A 181 13.925 8.410 23.487 1.00 0.00 ATOM 1382 NE ARG A 181 14.006 9.883 23.534 1.00 0.00 ATOM 1383 CZ ARG A 181 13.017 10.653 23.955 1.00 0.00 ATOM 1384 NH1 ARG A 181 11.879 10.108 24.373 1.00 0.00 ATOM 1385 NH2 ARG A 181 13.165 11.964 24.006 1.00 0.00 ATOM 1386 O ARG A 181 14.185 3.803 26.797 1.00 0.00 ATOM 1387 C ARG A 181 15.168 4.268 26.145 1.00 0.00 ATOM 1388 N ASP A 182 16.089 3.492 25.596 1.00 0.00 ATOM 1389 CA ASP A 182 15.987 2.031 25.701 1.00 0.00 ATOM 1390 CB ASP A 182 16.843 1.365 24.602 1.00 0.00 ATOM 1391 CG ASP A 182 18.310 1.730 24.713 1.00 0.00 ATOM 1392 OD1 ASP A 182 18.680 2.850 24.286 1.00 0.00 ATOM 1393 OD2 ASP A 182 19.094 0.904 25.239 1.00 0.00 ATOM 1394 O ASP A 182 16.199 0.335 27.409 1.00 0.00 ATOM 1395 C ASP A 182 16.381 1.517 27.108 1.00 0.00 ATOM 1396 N LYS A 183 16.948 2.405 27.940 1.00 0.00 ATOM 1397 CA LYS A 183 17.283 2.111 29.335 1.00 0.00 ATOM 1398 CB LYS A 183 18.768 2.463 29.641 1.00 0.00 ATOM 1399 CG LYS A 183 19.819 1.493 28.996 1.00 0.00 ATOM 1400 CD LYS A 183 19.814 0.091 29.683 1.00 0.00 ATOM 1401 CE LYS A 183 20.976 -0.777 29.248 1.00 0.00 ATOM 1402 NZ LYS A 183 20.795 -2.234 29.610 1.00 0.00 ATOM 1403 O LYS A 183 16.671 2.977 31.481 1.00 0.00 ATOM 1404 C LYS A 183 16.357 2.853 30.290 1.00 0.00 ATOM 1405 N CYS A 184 15.247 3.374 29.765 1.00 0.00 ATOM 1406 CA CYS A 184 14.207 4.007 30.588 1.00 0.00 ATOM 1407 CB CYS A 184 13.789 5.360 29.994 1.00 0.00 ATOM 1408 SG CYS A 184 15.024 6.602 30.022 1.00 0.00 ATOM 1409 O CYS A 184 12.650 2.385 29.727 1.00 0.00 ATOM 1410 C CYS A 184 12.955 3.115 30.664 1.00 0.00 ATOM 1411 N VAL A 185 12.235 3.169 31.786 1.00 0.00 ATOM 1412 CA VAL A 185 10.910 2.566 31.857 1.00 0.00 ATOM 1413 CB VAL A 185 10.934 1.218 32.648 1.00 0.00 ATOM 1414 CG1 VAL A 185 11.355 1.441 34.102 1.00 0.00 ATOM 1415 CG2 VAL A 185 9.583 0.484 32.577 1.00 0.00 ATOM 1416 O VAL A 185 10.305 4.396 33.316 1.00 0.00 ATOM 1417 C VAL A 185 9.932 3.598 32.468 1.00 0.00 ATOM 1418 N TYR A 186 8.718 3.605 31.951 1.00 0.00 ATOM 1419 CA TYR A 186 7.678 4.496 32.446 1.00 0.00 ATOM 1420 CB TYR A 186 6.956 5.206 31.287 1.00 0.00 ATOM 1421 CG TYR A 186 6.156 6.390 31.776 1.00 0.00 ATOM 1422 CD1 TYR A 186 6.708 7.663 31.939 1.00 0.00 ATOM 1423 CD2 TYR A 186 4.863 6.187 32.216 1.00 0.00 ATOM 1424 CE1 TYR A 186 5.949 8.713 32.487 1.00 0.00 ATOM 1425 CE2 TYR A 186 4.109 7.228 32.746 1.00 0.00 ATOM 1426 CZ TYR A 186 4.658 8.479 32.877 1.00 0.00 ATOM 1427 OH TYR A 186 3.878 9.489 33.443 1.00 0.00 ATOM 1428 O TYR A 186 6.346 2.542 32.811 1.00 0.00 ATOM 1429 C TYR A 186 6.706 3.632 33.239 1.00 0.00 ATOM 1430 N ILE A 187 6.256 4.130 34.374 1.00 0.00 ATOM 1431 CA ILE A 187 5.405 3.363 35.312 1.00 0.00 ATOM 1432 CB ILE A 187 6.081 3.130 36.636 1.00 0.00 ATOM 1433 CG1 ILE A 187 7.440 2.409 36.467 1.00 0.00 ATOM 1434 CG2 ILE A 187 5.112 2.382 37.599 1.00 0.00 ATOM 1435 CD1 ILE A 187 8.605 3.353 36.642 1.00 0.00 ATOM 1436 O ILE A 187 4.201 5.330 35.935 1.00 0.00 ATOM 1437 C ILE A 187 4.141 4.176 35.539 1.00 0.00 ATOM 1438 N GLY A 188 2.983 3.575 35.301 1.00 0.00 ATOM 1439 CA GLY A 188 1.734 4.322 35.555 1.00 0.00 ATOM 1440 O GLY A 188 0.594 2.222 35.478 1.00 0.00 ATOM 1441 C GLY A 188 0.498 3.434 35.650 1.00 0.00 ATOM 1442 N ASP A 189 -0.653 4.041 35.941 1.00 0.00 ATOM 1443 CA ASP A 189 -1.870 3.292 36.207 1.00 0.00 ATOM 1444 CB ASP A 189 -2.466 3.779 37.535 1.00 0.00 ATOM 1445 CG ASP A 189 -2.914 5.251 37.466 1.00 0.00 ATOM 1446 OD1 ASP A 189 -2.217 6.048 36.795 1.00 0.00 ATOM 1447 OD2 ASP A 189 -3.954 5.644 38.049 1.00 0.00 ATOM 1448 O ASP A 189 -4.057 2.912 35.323 1.00 0.00 ATOM 1449 C ASP A 189 -2.960 3.414 35.125 1.00 0.00 ATOM 1450 N SER A 190 -2.657 4.068 34.010 1.00 0.00 ATOM 1451 CA SER A 190 -3.686 4.329 33.017 1.00 0.00 ATOM 1452 CB SER A 190 -4.184 5.763 33.166 1.00 0.00 ATOM 1453 OG SER A 190 -3.338 6.672 32.471 1.00 0.00 ATOM 1454 O SER A 190 -2.044 3.858 31.273 1.00 0.00 ATOM 1455 C SER A 190 -3.236 4.083 31.582 1.00 0.00 ATOM 1456 N GLU A 191 -4.222 4.170 30.684 1.00 0.00 ATOM 1457 CA GLU A 191 -3.973 4.112 29.225 1.00 0.00 ATOM 1458 CB GLU A 191 -5.302 4.060 28.449 1.00 0.00 ATOM 1459 CG GLU A 191 -6.092 5.364 28.330 1.00 0.00 ATOM 1460 CD GLU A 191 -6.886 5.859 29.557 1.00 0.00 ATOM 1461 OE1 GLU A 191 -6.657 5.375 30.688 1.00 0.00 ATOM 1462 OE2 GLU A 191 -7.754 6.761 29.339 1.00 0.00 ATOM 1463 O GLU A 191 -2.377 5.113 27.747 1.00 0.00 ATOM 1464 C GLU A 191 -3.102 5.261 28.725 1.00 0.00 ATOM 1465 N ILE A 192 -3.185 6.421 29.385 1.00 0.00 ATOM 1466 CA ILE A 192 -2.363 7.588 29.010 1.00 0.00 ATOM 1467 CB ILE A 192 -2.794 8.862 29.774 1.00 0.00 ATOM 1468 CG1 ILE A 192 -4.267 9.157 29.500 1.00 0.00 ATOM 1469 CG2 ILE A 192 -1.847 10.076 29.499 1.00 0.00 ATOM 1470 CD1 ILE A 192 -4.567 9.251 28.045 1.00 0.00 ATOM 1471 O ILE A 192 -0.035 7.697 28.466 1.00 0.00 ATOM 1472 C ILE A 192 -0.888 7.261 29.251 1.00 0.00 ATOM 1473 N ASP A 193 -0.588 6.508 30.325 1.00 0.00 ATOM 1474 CA ASP A 193 0.774 6.067 30.626 1.00 0.00 ATOM 1475 CB ASP A 193 0.841 5.551 32.065 1.00 0.00 ATOM 1476 CG ASP A 193 0.345 6.594 33.056 1.00 0.00 ATOM 1477 OD1 ASP A 193 0.693 7.784 32.869 1.00 0.00 ATOM 1478 OD2 ASP A 193 -0.499 6.258 33.887 1.00 0.00 ATOM 1479 O ASP A 193 2.425 5.171 29.111 1.00 0.00 ATOM 1480 C ASP A 193 1.304 5.047 29.598 1.00 0.00 ATOM 1481 N ILE A 194 0.446 4.090 29.251 1.00 0.00 ATOM 1482 CA ILE A 194 0.738 3.166 28.155 1.00 0.00 ATOM 1483 CB ILE A 194 -0.445 2.197 27.901 1.00 0.00 ATOM 1484 CG1 ILE A 194 -0.698 1.314 29.135 1.00 0.00 ATOM 1485 CG2 ILE A 194 -0.170 1.293 26.686 1.00 0.00 ATOM 1486 CD1 ILE A 194 -1.968 0.551 29.165 1.00 0.00 ATOM 1487 O ILE A 194 2.152 3.644 26.243 1.00 0.00 ATOM 1488 C ILE A 194 1.134 3.932 26.878 1.00 0.00 ATOM 1489 N GLN A 195 0.308 4.914 26.506 1.00 0.00 ATOM 1490 CA GLN A 195 0.564 5.695 25.309 1.00 0.00 ATOM 1491 CB GLN A 195 -0.655 6.536 25.016 1.00 0.00 ATOM 1492 CG GLN A 195 -1.883 5.709 24.670 1.00 0.00 ATOM 1493 CD GLN A 195 -3.124 6.577 24.601 1.00 0.00 ATOM 1494 OE1 GLN A 195 -3.056 7.751 24.168 1.00 0.00 ATOM 1495 NE2 GLN A 195 -4.270 6.018 25.008 1.00 0.00 ATOM 1496 O GLN A 195 2.589 6.744 24.435 1.00 0.00 ATOM 1497 C GLN A 195 1.815 6.599 25.394 1.00 0.00 ATOM 1498 N THR A 196 1.986 7.218 26.541 1.00 0.00 ATOM 1499 CA THR A 196 3.114 8.095 26.768 1.00 0.00 ATOM 1500 CB THR A 196 3.075 8.628 28.191 1.00 0.00 ATOM 1501 CG2 THR A 196 4.353 9.423 28.501 1.00 0.00 ATOM 1502 OG1 THR A 196 1.933 9.497 28.337 1.00 0.00 ATOM 1503 O THR A 196 5.362 7.803 25.852 1.00 0.00 ATOM 1504 C THR A 196 4.437 7.314 26.535 1.00 0.00 ATOM 1505 N ALA A 197 4.508 6.114 27.115 1.00 0.00 ATOM 1506 CA ALA A 197 5.700 5.228 26.951 1.00 0.00 ATOM 1507 CB ALA A 197 5.543 3.946 27.751 1.00 0.00 ATOM 1508 O ALA A 197 7.096 5.111 25.004 1.00 0.00 ATOM 1509 C ALA A 197 5.983 4.924 25.482 1.00 0.00 ATOM 1510 N ARG A 198 4.951 4.476 24.769 1.00 0.00 ATOM 1511 CA ARG A 198 5.133 4.141 23.341 1.00 0.00 ATOM 1512 CB ARG A 198 3.858 3.554 22.750 1.00 0.00 ATOM 1513 CG ARG A 198 4.062 3.070 21.280 1.00 0.00 ATOM 1514 CD ARG A 198 3.552 1.696 21.115 1.00 0.00 ATOM 1515 NE ARG A 198 3.887 1.105 19.823 1.00 0.00 ATOM 1516 CZ ARG A 198 3.769 -0.199 19.580 1.00 0.00 ATOM 1517 NH1 ARG A 198 3.383 -1.012 20.561 1.00 0.00 ATOM 1518 NH2 ARG A 198 4.050 -0.713 18.378 1.00 0.00 ATOM 1519 O ARG A 198 6.428 5.254 21.665 1.00 0.00 ATOM 1520 C ARG A 198 5.561 5.352 22.525 1.00 0.00 ATOM 1521 N ASN A 199 4.939 6.501 22.812 1.00 0.00 ATOM 1522 CA ASN A 199 5.249 7.765 22.139 1.00 0.00 ATOM 1523 CB ASN A 199 4.155 8.861 22.388 1.00 0.00 ATOM 1524 CG ASN A 199 2.768 8.445 21.894 1.00 0.00 ATOM 1525 ND2 ASN A 199 1.712 9.109 22.400 1.00 0.00 ATOM 1526 OD1 ASN A 199 2.645 7.507 21.106 1.00 0.00 ATOM 1527 O ASN A 199 7.250 9.053 21.684 1.00 0.00 ATOM 1528 C ASN A 199 6.651 8.297 22.467 1.00 0.00 ATOM 1529 N SER A 200 7.214 7.801 23.574 1.00 0.00 ATOM 1530 CA SER A 200 8.550 8.184 24.019 1.00 0.00 ATOM 1531 CB SER A 200 8.530 8.525 25.500 1.00 0.00 ATOM 1532 OG SER A 200 7.629 9.607 25.778 1.00 0.00 ATOM 1533 O SER A 200 10.702 7.198 24.237 1.00 0.00 ATOM 1534 C SER A 200 9.583 7.086 23.769 1.00 0.00 ATOM 1535 N GLU A 201 9.201 6.060 23.024 1.00 0.00 ATOM 1536 CA GLU A 201 10.090 4.999 22.591 1.00 0.00 ATOM 1537 CB GLU A 201 11.128 5.515 21.584 1.00 0.00 ATOM 1538 CG GLU A 201 10.526 6.221 20.325 1.00 0.00 ATOM 1539 CD GLU A 201 9.676 5.330 19.380 1.00 0.00 ATOM 1540 OE1 GLU A 201 9.752 4.078 19.427 1.00 0.00 ATOM 1541 OE2 GLU A 201 8.928 5.911 18.563 1.00 0.00 ATOM 1542 O GLU A 201 11.946 3.982 23.809 1.00 0.00 ATOM 1543 C GLU A 201 10.748 4.294 23.810 1.00 0.00 ATOM 1544 N MET A 202 9.928 4.049 24.832 1.00 0.00 ATOM 1545 CA MET A 202 10.397 3.326 26.021 1.00 0.00 ATOM 1546 CB MET A 202 10.762 4.304 27.109 1.00 0.00 ATOM 1547 CG MET A 202 9.590 5.026 27.651 1.00 0.00 ATOM 1548 SD MET A 202 10.153 6.284 29.050 1.00 0.00 ATOM 1549 CE MET A 202 11.284 7.427 28.097 1.00 0.00 ATOM 1550 O MET A 202 8.183 2.332 26.175 1.00 0.00 ATOM 1551 C MET A 202 9.371 2.301 26.521 1.00 0.00 ATOM 1552 N ASP A 203 9.882 1.335 27.283 1.00 0.00 ATOM 1553 CA ASP A 203 9.059 0.315 27.908 1.00 0.00 ATOM 1554 CB ASP A 203 9.958 -0.751 28.599 1.00 0.00 ATOM 1555 CG ASP A 203 10.804 -1.574 27.630 1.00 0.00 ATOM 1556 OD1 ASP A 203 10.604 -1.490 26.414 1.00 0.00 ATOM 1557 OD2 ASP A 203 11.684 -2.348 28.081 1.00 0.00 ATOM 1558 O ASP A 203 8.386 2.027 29.488 1.00 0.00 ATOM 1559 C ASP A 203 8.151 0.931 28.970 1.00 0.00 ATOM 1560 N GLU A 204 7.132 0.159 29.335 1.00 0.00 ATOM 1561 CA GLU A 204 6.128 0.580 30.338 1.00 0.00 ATOM 1562 CB GLU A 204 4.857 1.163 29.660 1.00 0.00 ATOM 1563 CG GLU A 204 4.017 2.109 30.512 1.00 0.00 ATOM 1564 CD GLU A 204 2.732 1.503 31.141 1.00 0.00 ATOM 1565 OE1 GLU A 204 2.422 0.282 31.018 1.00 0.00 ATOM 1566 OE2 GLU A 204 2.010 2.333 31.777 1.00 0.00 ATOM 1567 O GLU A 204 5.630 -1.713 30.877 1.00 0.00 ATOM 1568 C GLU A 204 5.740 -0.559 31.280 1.00 0.00 ATOM 1569 N ILE A 205 5.562 -0.220 32.544 1.00 0.00 ATOM 1570 CA ILE A 205 5.030 -1.107 33.554 1.00 0.00 ATOM 1571 CB ILE A 205 6.048 -1.287 34.720 1.00 0.00 ATOM 1572 CG1 ILE A 205 7.329 -1.937 34.235 1.00 0.00 ATOM 1573 CG2 ILE A 205 5.404 -2.046 35.887 1.00 0.00 ATOM 1574 CD1 ILE A 205 8.496 -1.781 35.255 1.00 0.00 ATOM 1575 O ILE A 205 3.722 0.793 34.316 1.00 0.00 ATOM 1576 C ILE A 205 3.745 -0.451 34.066 1.00 0.00 ATOM 1577 N ALA A 206 2.681 -1.251 34.143 1.00 0.00 ATOM 1578 CA ALA A 206 1.392 -0.788 34.645 1.00 0.00 ATOM 1579 CB ALA A 206 0.214 -1.255 33.701 1.00 0.00 ATOM 1580 O ALA A 206 1.528 -2.403 36.410 1.00 0.00 ATOM 1581 C ALA A 206 1.160 -1.289 36.076 1.00 0.00 ATOM 1582 N VAL A 207 0.572 -0.461 36.925 1.00 0.00 ATOM 1583 CA VAL A 207 0.260 -0.813 38.312 1.00 0.00 ATOM 1584 CB VAL A 207 0.855 0.229 39.322 1.00 0.00 ATOM 1585 CG1 VAL A 207 2.348 0.396 39.006 1.00 0.00 ATOM 1586 CG2 VAL A 207 0.104 1.594 39.321 1.00 0.00 ATOM 1587 O VAL A 207 -2.005 -0.260 37.722 1.00 0.00 ATOM 1588 C VAL A 207 -1.270 -0.949 38.421 1.00 0.00 ATOM 1589 N ASN A 208 -1.729 -1.831 39.302 1.00 0.00 ATOM 1590 CA ASN A 208 -3.177 -2.107 39.419 1.00 0.00 ATOM 1591 CB ASN A 208 -3.434 -3.622 39.503 1.00 0.00 ATOM 1592 CG ASN A 208 -3.330 -4.153 40.929 1.00 0.00 ATOM 1593 ND2 ASN A 208 -4.121 -5.174 41.238 1.00 0.00 ATOM 1594 OD1 ASN A 208 -2.578 -3.648 41.736 1.00 0.00 ATOM 1595 O ASN A 208 -5.025 -1.586 40.889 1.00 0.00 ATOM 1596 C ASN A 208 -3.846 -1.372 40.599 1.00 0.00 ATOM 1597 N TRP A 209 -3.084 -0.544 41.310 1.00 0.00 ATOM 1598 CA TRP A 209 -3.613 0.099 42.515 1.00 0.00 ATOM 1599 CB TRP A 209 -2.613 0.036 43.674 1.00 0.00 ATOM 1600 CG TRP A 209 -1.283 0.608 43.403 1.00 0.00 ATOM 1601 CD1 TRP A 209 -0.931 1.913 43.489 1.00 0.00 ATOM 1602 CD2 TRP A 209 -0.101 -0.119 43.056 1.00 0.00 ATOM 1603 CE2 TRP A 209 0.936 0.827 42.935 1.00 0.00 ATOM 1604 CE3 TRP A 209 0.176 -1.472 42.786 1.00 0.00 ATOM 1605 NE1 TRP A 209 0.395 2.070 43.177 1.00 0.00 ATOM 1606 CZ2 TRP A 209 2.233 0.446 42.589 1.00 0.00 ATOM 1607 CZ3 TRP A 209 1.412 -1.835 42.503 1.00 0.00 ATOM 1608 CH2 TRP A 209 2.453 -0.885 42.371 1.00 0.00 ATOM 1609 O TRP A 209 -4.376 2.269 43.211 1.00 0.00 ATOM 1610 C TRP A 209 -4.063 1.535 42.243 1.00 0.00 ATOM 1611 N GLY A 210 -4.161 1.899 40.966 1.00 0.00 ATOM 1612 CA GLY A 210 -4.541 3.226 40.584 1.00 0.00 ATOM 1613 O GLY A 210 -6.873 2.690 40.500 1.00 0.00 ATOM 1614 C GLY A 210 -5.952 3.368 40.012 1.00 0.00 ATOM 1615 N PHE A 211 -6.106 4.244 39.019 1.00 0.00 ATOM 1616 CA PHE A 211 -7.415 4.683 38.598 1.00 0.00 ATOM 1617 CB PHE A 211 -7.376 6.106 38.071 1.00 0.00 ATOM 1618 CG PHE A 211 -7.046 7.158 39.110 1.00 0.00 ATOM 1619 CD1 PHE A 211 -6.635 6.853 40.387 1.00 0.00 ATOM 1620 CD2 PHE A 211 -7.145 8.495 38.753 1.00 0.00 ATOM 1621 CE1 PHE A 211 -6.314 7.848 41.295 1.00 0.00 ATOM 1622 CE2 PHE A 211 -6.841 9.487 39.638 1.00 0.00 ATOM 1623 CZ PHE A 211 -6.443 9.195 40.911 1.00 0.00 ATOM 1624 O PHE A 211 -9.317 3.942 37.329 1.00 0.00 ATOM 1625 C PHE A 211 -8.096 3.779 37.560 1.00 0.00 ATOM 1626 N ARG A 212 -7.355 2.852 36.910 1.00 0.00 ATOM 1627 CA ARG A 212 -7.958 1.927 35.931 1.00 0.00 ATOM 1628 CB ARG A 212 -7.256 2.045 34.589 1.00 0.00 ATOM 1629 CG ARG A 212 -7.289 3.410 33.900 1.00 0.00 ATOM 1630 CD ARG A 212 -8.696 3.921 33.663 1.00 0.00 ATOM 1631 NE ARG A 212 -8.800 4.960 32.648 1.00 0.00 ATOM 1632 CZ ARG A 212 -9.935 5.614 32.352 1.00 0.00 ATOM 1633 NH1 ARG A 212 -11.059 5.384 33.041 1.00 0.00 ATOM 1634 NH2 ARG A 212 -9.944 6.504 31.350 1.00 0.00 ATOM 1635 O ARG A 212 -6.899 0.100 37.143 1.00 0.00 ATOM 1636 C ARG A 212 -7.851 0.493 36.429 1.00 0.00 ATOM 1637 N SER A 213 -8.814 -0.305 36.006 1.00 0.00 ATOM 1638 CA SER A 213 -8.912 -1.711 36.329 1.00 0.00 ATOM 1639 CB SER A 213 -10.335 -2.207 36.076 1.00 0.00 ATOM 1640 OG SER A 213 -10.572 -2.394 34.684 1.00 0.00 ATOM 1641 O SER A 213 -7.479 -2.131 34.409 1.00 0.00 ATOM 1642 C SER A 213 -7.950 -2.552 35.472 1.00 0.00 ATOM 1643 N VAL A 214 -7.708 -3.774 35.923 1.00 0.00 ATOM 1644 CA VAL A 214 -6.853 -4.681 35.181 1.00 0.00 ATOM 1645 CB VAL A 214 -6.500 -5.934 36.032 1.00 0.00 ATOM 1646 CG1 VAL A 214 -5.876 -7.046 35.162 1.00 0.00 ATOM 1647 CG2 VAL A 214 -5.567 -5.510 37.162 1.00 0.00 ATOM 1648 O VAL A 214 -6.757 -4.963 32.811 1.00 0.00 ATOM 1649 C VAL A 214 -7.464 -5.023 33.815 1.00 0.00 ATOM 1650 N PRO A 215 -8.764 -5.380 33.759 1.00 0.00 ATOM 1651 CA PRO A 215 -9.312 -5.626 32.416 1.00 0.00 ATOM 1652 CB PRO A 215 -10.768 -5.975 32.684 1.00 0.00 ATOM 1653 CG PRO A 215 -10.827 -6.366 34.104 1.00 0.00 ATOM 1654 CD PRO A 215 -9.755 -5.647 34.814 1.00 0.00 ATOM 1655 O PRO A 215 -8.992 -4.577 30.268 1.00 0.00 ATOM 1656 C PRO A 215 -9.229 -4.423 31.466 1.00 0.00 ATOM 1657 N PHE A 216 -9.383 -3.222 32.014 1.00 0.00 ATOM 1658 CA PHE A 216 -9.190 -1.995 31.215 1.00 0.00 ATOM 1659 CB PHE A 216 -9.603 -0.785 32.022 1.00 0.00 ATOM 1660 CG PHE A 216 -9.492 0.513 31.276 1.00 0.00 ATOM 1661 CD1 PHE A 216 -8.270 1.127 31.137 1.00 0.00 ATOM 1662 CD2 PHE A 216 -10.618 1.091 30.691 1.00 0.00 ATOM 1663 CE1 PHE A 216 -8.169 2.327 30.465 1.00 0.00 ATOM 1664 CE2 PHE A 216 -10.536 2.287 29.999 1.00 0.00 ATOM 1665 CZ PHE A 216 -9.288 2.900 29.880 1.00 0.00 ATOM 1666 O PHE A 216 -7.494 -1.639 29.564 1.00 0.00 ATOM 1667 C PHE A 216 -7.751 -1.878 30.734 1.00 0.00 ATOM 1668 N LEU A 217 -6.794 -2.045 31.640 1.00 0.00 ATOM 1669 CA LEU A 217 -5.411 -1.912 31.245 1.00 0.00 ATOM 1670 CB LEU A 217 -4.494 -2.005 32.467 1.00 0.00 ATOM 1671 CG LEU A 217 -4.612 -0.827 33.453 1.00 0.00 ATOM 1672 CD1 LEU A 217 -3.943 -1.156 34.795 1.00 0.00 ATOM 1673 CD2 LEU A 217 -4.018 0.432 32.869 1.00 0.00 ATOM 1674 O LEU A 217 -4.257 -2.600 29.258 1.00 0.00 ATOM 1675 C LEU A 217 -5.006 -2.911 30.182 1.00 0.00 ATOM 1676 N GLN A 218 -5.457 -4.144 30.341 1.00 0.00 ATOM 1677 CA GLN A 218 -5.206 -5.176 29.346 1.00 0.00 ATOM 1678 CB GLN A 218 -5.720 -6.520 29.834 1.00 0.00 ATOM 1679 CG GLN A 218 -4.925 -7.027 31.018 1.00 0.00 ATOM 1680 CD GLN A 218 -5.421 -8.359 31.551 1.00 0.00 ATOM 1681 OE1 GLN A 218 -6.603 -8.531 31.805 1.00 0.00 ATOM 1682 NE2 GLN A 218 -4.504 -9.279 31.762 1.00 0.00 ATOM 1683 O GLN A 218 -5.149 -4.980 26.965 1.00 0.00 ATOM 1684 C GLN A 218 -5.803 -4.817 27.986 1.00 0.00 ATOM 1685 N LYS A 219 -7.047 -4.342 27.976 1.00 0.00 ATOM 1686 CA LYS A 219 -7.716 -3.909 26.757 1.00 0.00 ATOM 1687 CB LYS A 219 -9.118 -3.406 27.119 1.00 0.00 ATOM 1688 CG LYS A 219 -9.949 -2.902 25.958 1.00 0.00 ATOM 1689 CD LYS A 219 -11.374 -2.584 26.405 1.00 0.00 ATOM 1690 CE LYS A 219 -11.410 -1.516 27.523 1.00 0.00 ATOM 1691 O LYS A 219 -6.921 -2.731 24.830 1.00 0.00 ATOM 1692 C LYS A 219 -6.935 -2.810 26.051 1.00 0.00 ATOM 1693 N HIS A 220 -6.289 -1.951 26.841 1.00 0.00 ATOM 1694 CA HIS A 220 -5.584 -0.770 26.334 1.00 0.00 ATOM 1695 CB HIS A 220 -5.893 0.409 27.262 1.00 0.00 ATOM 1696 CG HIS A 220 -7.202 1.039 26.957 1.00 0.00 ATOM 1697 CD2 HIS A 220 -7.522 2.018 26.081 1.00 0.00 ATOM 1698 ND1 HIS A 220 -8.394 0.571 27.466 1.00 0.00 ATOM 1699 CE1 HIS A 220 -9.388 1.293 26.974 1.00 0.00 ATOM 1700 NE2 HIS A 220 -8.883 2.173 26.129 1.00 0.00 ATOM 1701 O HIS A 220 -3.367 0.006 25.914 1.00 0.00 ATOM 1702 C HIS A 220 -4.098 -0.954 26.101 1.00 0.00 ATOM 1703 N GLY A 221 -3.640 -2.187 26.125 1.00 0.00 ATOM 1704 CA GLY A 221 -2.264 -2.505 25.726 1.00 0.00 ATOM 1705 O GLY A 221 0.014 -2.667 26.406 1.00 0.00 ATOM 1706 C GLY A 221 -1.164 -2.667 26.757 1.00 0.00 ATOM 1707 N ALA A 222 -1.517 -2.803 28.032 1.00 0.00 ATOM 1708 CA ALA A 222 -0.538 -3.014 29.065 1.00 0.00 ATOM 1709 CB ALA A 222 -1.182 -2.891 30.413 1.00 0.00 ATOM 1710 O ALA A 222 -0.745 -5.324 28.526 1.00 0.00 ATOM 1711 C ALA A 222 0.012 -4.406 28.887 1.00 0.00 ATOM 1712 N THR A 223 1.311 -4.582 29.094 1.00 0.00 ATOM 1713 CA THR A 223 1.906 -5.911 28.965 1.00 0.00 ATOM 1714 CB THR A 223 2.986 -5.957 27.862 1.00 0.00 ATOM 1715 CG2 THR A 223 2.370 -5.647 26.504 1.00 0.00 ATOM 1716 OG1 THR A 223 4.021 -5.012 28.158 1.00 0.00 ATOM 1717 O THR A 223 2.532 -7.690 30.396 1.00 0.00 ATOM 1718 C THR A 223 2.497 -6.474 30.248 1.00 0.00 ATOM 1719 N VAL A 224 3.030 -5.620 31.110 1.00 0.00 ATOM 1720 CA VAL A 224 3.480 -5.991 32.455 1.00 0.00 ATOM 1721 CB VAL A 224 4.950 -5.637 32.693 1.00 0.00 ATOM 1722 CG1 VAL A 224 5.311 -5.943 34.129 1.00 0.00 ATOM 1723 CG2 VAL A 224 5.853 -6.436 31.730 1.00 0.00 ATOM 1724 O VAL A 224 2.548 -4.002 33.425 1.00 0.00 ATOM 1725 C VAL A 224 2.601 -5.225 33.446 1.00 0.00 ATOM 1726 N ILE A 225 1.865 -5.967 34.276 1.00 0.00 ATOM 1727 CA ILE A 225 0.987 -5.348 35.267 1.00 0.00 ATOM 1728 CB ILE A 225 -0.536 -5.558 34.991 1.00 0.00 ATOM 1729 CG1 ILE A 225 -0.937 -5.046 33.598 1.00 0.00 ATOM 1730 CG2 ILE A 225 -1.389 -4.831 36.048 1.00 0.00 ATOM 1731 CD1 ILE A 225 -2.374 -5.459 33.187 1.00 0.00 ATOM 1732 O ILE A 225 1.413 -7.137 36.786 1.00 0.00 ATOM 1733 C ILE A 225 1.370 -5.914 36.618 1.00 0.00 ATOM 1734 N VAL A 226 1.672 -5.048 37.575 1.00 0.00 ATOM 1735 CA VAL A 226 2.131 -5.490 38.893 1.00 0.00 ATOM 1736 CB VAL A 226 3.555 -4.928 39.189 1.00 0.00 ATOM 1737 CG1 VAL A 226 4.606 -5.436 38.185 1.00 0.00 ATOM 1738 CG2 VAL A 226 3.562 -3.392 39.201 1.00 0.00 ATOM 1739 O VAL A 226 0.400 -4.053 39.732 1.00 0.00 ATOM 1740 C VAL A 226 1.105 -5.050 39.931 1.00 0.00 ATOM 1741 N ASP A 227 1.047 -5.757 41.060 1.00 0.00 ATOM 1742 CA ASP A 227 0.082 -5.376 42.114 1.00 0.00 ATOM 1743 CB ASP A 227 -1.083 -6.376 42.178 1.00 0.00 ATOM 1744 CG ASP A 227 -0.663 -7.754 42.571 1.00 0.00 ATOM 1745 OD1 ASP A 227 0.523 -7.982 42.891 1.00 0.00 ATOM 1746 OD2 ASP A 227 -1.567 -8.625 42.555 1.00 0.00 ATOM 1747 O ASP A 227 -0.071 -4.876 44.452 1.00 0.00 ATOM 1748 C ASP A 227 0.666 -5.124 43.510 1.00 0.00 ATOM 1749 N THR A 228 1.984 -5.171 43.649 1.00 0.00 ATOM 1750 CA THR A 228 2.615 -4.636 44.848 1.00 0.00 ATOM 1751 CB THR A 228 3.053 -5.755 45.817 1.00 0.00 ATOM 1752 CG2 THR A 228 1.931 -6.740 46.059 1.00 0.00 ATOM 1753 OG1 THR A 228 4.158 -6.450 45.249 1.00 0.00 ATOM 1754 O THR A 228 4.414 -4.011 43.431 1.00 0.00 ATOM 1755 C THR A 228 3.831 -3.813 44.496 1.00 0.00 ATOM 1756 N ALA A 229 4.247 -2.944 45.422 1.00 0.00 ATOM 1757 CA ALA A 229 5.498 -2.153 45.286 1.00 0.00 ATOM 1758 CB ALA A 229 5.638 -1.154 46.458 1.00 0.00 ATOM 1759 O ALA A 229 7.658 -2.774 44.385 1.00 0.00 ATOM 1760 C ALA A 229 6.740 -3.083 45.159 1.00 0.00 ATOM 1761 N GLU A 230 6.736 -4.207 45.869 1.00 0.00 ATOM 1762 CA GLU A 230 7.843 -5.170 45.777 1.00 0.00 ATOM 1763 CB GLU A 230 7.686 -6.306 46.777 1.00 0.00 ATOM 1764 CG GLU A 230 8.698 -7.407 46.571 1.00 0.00 ATOM 1765 O GLU A 230 9.016 -5.846 43.820 1.00 0.00 ATOM 1766 C GLU A 230 7.933 -5.747 44.372 1.00 0.00 ATOM 1767 N LYS A 231 6.795 -6.128 43.803 1.00 0.00 ATOM 1768 CA LYS A 231 6.748 -6.643 42.432 1.00 0.00 ATOM 1769 CB LYS A 231 5.389 -7.256 42.116 1.00 0.00 ATOM 1770 CG LYS A 231 5.101 -8.578 42.875 1.00 0.00 ATOM 1771 CD LYS A 231 6.399 -9.426 43.120 1.00 0.00 ATOM 1772 CE LYS A 231 6.219 -10.556 44.157 1.00 0.00 ATOM 1773 NZ LYS A 231 7.424 -10.713 45.061 1.00 0.00 ATOM 1774 O LYS A 231 7.824 -5.883 40.434 1.00 0.00 ATOM 1775 C LYS A 231 7.151 -5.590 41.402 1.00 0.00 ATOM 1776 N LEU A 232 6.793 -4.358 41.669 1.00 0.00 ATOM 1777 CA LEU A 232 7.190 -3.234 40.832 1.00 0.00 ATOM 1778 CB LEU A 232 6.457 -1.945 41.254 1.00 0.00 ATOM 1779 CG LEU A 232 6.870 -0.649 40.576 1.00 0.00 ATOM 1780 CD1 LEU A 232 6.798 -0.809 39.052 1.00 0.00 ATOM 1781 CD2 LEU A 232 5.998 0.507 41.057 1.00 0.00 ATOM 1782 O LEU A 232 9.330 -2.894 39.823 1.00 0.00 ATOM 1783 C LEU A 232 8.697 -3.062 40.890 1.00 0.00 ATOM 1784 N GLU A 233 9.291 -3.162 42.095 1.00 0.00 ATOM 1785 CA GLU A 233 10.765 -3.133 42.212 1.00 0.00 ATOM 1786 CB GLU A 233 11.191 -3.308 43.687 1.00 0.00 ATOM 1787 CG GLU A 233 12.696 -3.138 43.917 1.00 0.00 ATOM 1788 CD GLU A 233 13.121 -3.165 45.376 1.00 0.00 ATOM 1789 OE1 GLU A 233 12.401 -2.626 46.254 1.00 0.00 ATOM 1790 OE2 GLU A 233 14.219 -3.690 45.631 1.00 0.00 ATOM 1791 O GLU A 233 12.376 -4.039 40.596 1.00 0.00 ATOM 1792 C GLU A 233 11.416 -4.255 41.360 1.00 0.00 ATOM 1793 N GLU A 234 10.890 -5.458 41.484 1.00 0.00 ATOM 1794 CA GLU A 234 11.408 -6.581 40.708 1.00 0.00 ATOM 1795 CB GLU A 234 10.713 -7.875 41.134 1.00 0.00 ATOM 1796 CG GLU A 234 11.006 -8.233 42.586 1.00 0.00 ATOM 1797 CD GLU A 234 10.203 -9.416 43.085 1.00 0.00 ATOM 1798 OE1 GLU A 234 9.597 -10.122 42.243 1.00 0.00 ATOM 1799 OE2 GLU A 234 10.192 -9.632 44.318 1.00 0.00 ATOM 1800 O GLU A 234 12.214 -6.672 38.438 1.00 0.00 ATOM 1801 C GLU A 234 11.295 -6.346 39.197 1.00 0.00 ATOM 1802 N ALA A 235 10.185 -5.730 38.769 1.00 0.00 ATOM 1803 CA ALA A 235 9.962 -5.415 37.349 1.00 0.00 ATOM 1804 CB ALA A 235 8.569 -4.907 37.119 1.00 0.00 ATOM 1805 O ALA A 235 11.524 -4.507 35.736 1.00 0.00 ATOM 1806 C ALA A 235 10.981 -4.393 36.863 1.00 0.00 ATOM 1807 N ILE A 236 11.274 -3.403 37.698 1.00 0.00 ATOM 1808 CA ILE A 236 12.204 -2.348 37.294 1.00 0.00 ATOM 1809 CB ILE A 236 12.099 -1.087 38.207 1.00 0.00 ATOM 1810 CG1 ILE A 236 10.762 -0.376 38.003 1.00 0.00 ATOM 1811 CG2 ILE A 236 13.281 -0.117 37.943 1.00 0.00 ATOM 1812 CD1 ILE A 236 10.371 0.577 39.102 1.00 0.00 ATOM 1813 O ILE A 236 14.401 -2.544 36.364 1.00 0.00 ATOM 1814 C ILE A 236 13.628 -2.919 37.244 1.00 0.00 ATOM 1815 N LEU A 237 13.975 -3.831 38.166 1.00 0.00 ATOM 1816 CA LEU A 237 15.332 -4.396 38.279 1.00 0.00 ATOM 1817 CB LEU A 237 15.651 -4.759 39.745 1.00 0.00 ATOM 1818 CG LEU A 237 15.691 -3.569 40.711 1.00 0.00 ATOM 1819 CD1 LEU A 237 15.883 -4.073 42.162 1.00 0.00 ATOM 1820 CD2 LEU A 237 16.744 -2.527 40.313 1.00 0.00 ATOM 1821 O LEU A 237 16.651 -6.044 37.134 1.00 0.00 ATOM 1822 C LEU A 237 15.528 -5.609 37.362 1.00 0.00 ATOM 1823 N GLY A 238 14.434 -6.120 36.806 1.00 0.00 ATOM 1824 CA GLY A 238 14.454 -7.325 35.980 1.00 0.00 ATOM 1825 O GLY A 238 15.094 -9.633 36.165 1.00 0.00 ATOM 1826 C GLY A 238 14.707 -8.604 36.752 1.00 0.00 ATOM 1827 N GLU A 239 14.504 -8.553 38.065 1.00 0.00 ATOM 1828 CA GLU A 239 14.629 -9.729 38.907 1.00 0.00 ATOM 1829 CB GLU A 239 15.188 -9.366 40.304 1.00 0.00 ATOM 1830 CG GLU A 239 14.590 -8.159 40.995 1.00 0.00 ATOM 1831 O GLU A 239 13.179 -11.672 39.300 1.00 0.00 ATOM 1832 C GLU A 239 13.271 -10.477 38.963 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 T0329.undertaker-align.pdb looking for model 1 WARNING: atoms too close: (T0329)H36.C and (T0329)D37.C only 0.000 apart, marking (T0329)D37.C as missing WARNING: atoms too close: (T0329)D37.N and (T0329)F38.N only 0.000 apart, marking (T0329)D37.N as missing WARNING: atoms too close: (T0329)D37.CA and (T0329)F38.CA only 0.000 apart, marking (T0329)D37.CA as missing WARNING: atoms too close: (T0329)L59.C and (T0329)V84.C only 0.000 apart, marking (T0329)V84.C as missing WARNING: atoms too close: (T0329)A60.N and (T0329)T85.N only 0.000 apart, marking (T0329)A60.N as missing WARNING: atoms too close: (T0329)A60.CA and (T0329)T85.CA only 0.000 apart, marking (T0329)A60.CA as missing WARNING: atoms too close: (T0329)K124.C and (T0329)G125.C only 0.000 apart, marking (T0329)G125.C as missing WARNING: atoms too close: (T0329)G125.N and (T0329)V126.N only 0.000 apart, marking (T0329)G125.N as missing WARNING: atoms too close: (T0329)G125.CA and (T0329)V126.CA only 0.000 apart, marking (T0329)G125.CA as missing WARNING: atoms too close: (T0329)K164.C and (T0329)A166.C only 0.000 apart, marking (T0329)A166.C as missing WARNING: atoms too close: (T0329)P165.N and (T0329)P167.N only 0.000 apart, marking (T0329)P165.N as missing WARNING: atoms too close: (T0329)P165.CA and (T0329)P167.CA only 0.000 apart, marking (T0329)P165.CA as missing # WARNING: incomplete conformation T0329 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 = 0.845 # GDT_score = -66.213 # GDT_score(maxd=8.000,maxw=2.900)= -70.496 # GDT_score(maxd=8.000,maxw=3.200)= -67.065 # GDT_score(maxd=8.000,maxw=3.500)= -63.525 # GDT_score(maxd=10.000,maxw=3.800)= -65.537 # GDT_score(maxd=10.000,maxw=4.000)= -63.336 # GDT_score(maxd=10.000,maxw=4.200)= -61.179 # GDT_score(maxd=12.000,maxw=4.300)= -64.253 # GDT_score(maxd=12.000,maxw=4.500)= -62.172 # GDT_score(maxd=12.000,maxw=4.700)= -60.137 # GDT_score(maxd=14.000,maxw=5.200)= -58.522 # GDT_score(maxd=14.000,maxw=5.500)= -55.790 # command:# ReadConformPDB reading from PDB file T0329.undertaker-align.pdb looking for model 2 WARNING: atoms too close: (T0329)F47.C and (T0329)V51.C only 0.000 apart, marking (T0329)V51.C as missing WARNING: atoms too close: (T0329)G48.N and (T0329)V52.N only 0.000 apart, marking (T0329)G48.N as missing WARNING: atoms too close: (T0329)G48.CA and (T0329)V52.CA only 0.000 apart, marking (T0329)G48.CA as missing WARNING: atoms too close: (T0329)L59.C and (T0329)A60.C only 0.000 apart, marking (T0329)A60.C as missing WARNING: atoms too close: (T0329)A60.N and (T0329)Y61.N only 0.000 apart, marking (T0329)A60.N as missing WARNING: atoms too close: (T0329)A60.CA and (T0329)Y61.CA only 0.000 apart, marking (T0329)A60.CA as missing WARNING: atoms too close: (T0329)K124.C and (T0329)G125.C only 0.000 apart, marking (T0329)G125.C as missing WARNING: atoms too close: (T0329)G125.N and (T0329)V126.N only 0.000 apart, marking (T0329)G125.N as missing WARNING: atoms too close: (T0329)G125.CA and (T0329)V126.CA only 0.000 apart, marking (T0329)G125.CA as missing # WARNING: incomplete conformation T0329 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 = 0.933 # GDT_score = -50.418 # GDT_score(maxd=8.000,maxw=2.900)= -51.668 # GDT_score(maxd=8.000,maxw=3.200)= -49.067 # GDT_score(maxd=8.000,maxw=3.500)= -46.433 # GDT_score(maxd=10.000,maxw=3.800)= -49.394 # GDT_score(maxd=10.000,maxw=4.000)= -47.670 # GDT_score(maxd=10.000,maxw=4.200)= -45.982 # GDT_score(maxd=12.000,maxw=4.300)= -49.615 # GDT_score(maxd=12.000,maxw=4.500)= -47.936 # GDT_score(maxd=12.000,maxw=4.700)= -46.317 # GDT_score(maxd=14.000,maxw=5.200)= -46.086 # GDT_score(maxd=14.000,maxw=5.500)= -43.959 # command:# ReadConformPDB reading from PDB file T0329.undertaker-align.pdb looking for model 3 WARNING: atoms too close: (T0329)R35.C and (T0329)D37.C only 0.000 apart, marking (T0329)D37.C as missing WARNING: atoms too close: (T0329)H36.N and (T0329)F38.N only 0.000 apart, marking (T0329)H36.N as missing WARNING: atoms too close: (T0329)H36.CA and (T0329)F38.CA only 0.000 apart, marking (T0329)H36.CA as missing WARNING: atoms too close: (T0329)L59.C and (T0329)D77.C only 0.000 apart, marking (T0329)D77.C as missing WARNING: atoms too close: (T0329)A60.N and (T0329)E78.N only 0.000 apart, marking (T0329)A60.N as missing WARNING: atoms too close: (T0329)A60.CA and (T0329)E78.CA only 0.000 apart, marking (T0329)A60.CA as missing WARNING: atoms too close: (T0329)L121.C and (T0329)K124.C only 0.000 apart, marking (T0329)K124.C as missing WARNING: atoms too close: (T0329)R122.N and (T0329)G125.N only 0.000 apart, marking (T0329)R122.N as missing WARNING: atoms too close: (T0329)R122.CA and (T0329)G125.CA only 0.000 apart, marking (T0329)R122.CA as missing # WARNING: incomplete conformation T0329 can't currently be optimized by undertaker # command:# naming current conformation align3 # command:# ReadConformPDB reading from PDB file T0329.undertaker-align.pdb looking for model 4 WARNING: atoms too close: (T0329)L59.C and (T0329)Q79.C only 0.000 apart, marking (T0329)Q79.C as missing WARNING: atoms too close: (T0329)A60.N and (T0329)I80.N only 0.000 apart, marking (T0329)A60.N as missing WARNING: atoms too close: (T0329)A60.CA and (T0329)I80.CA only 0.000 apart, marking (T0329)A60.CA as missing WARNING: atoms too close: (T0329)K219.C and (T0329)G221.C only 0.000 apart, marking (T0329)G221.C as missing WARNING: atoms too close: (T0329)H220.N and (T0329)A222.N only 0.000 apart, marking (T0329)H220.N as missing WARNING: atoms too close: (T0329)H220.CA and (T0329)A222.CA only 0.000 apart, marking (T0329)H220.CA as missing # WARNING: incomplete conformation T0329 can't currently be optimized by undertaker # command:# naming current conformation align4 # command:# ReadConformPDB reading from PDB file T0329.undertaker-align.pdb looking for model 5 WARNING: atoms too close: (T0329)R35.C and (T0329)D37.C only 0.000 apart, marking (T0329)D37.C as missing WARNING: atoms too close: (T0329)H36.N and (T0329)F38.N only 0.000 apart, marking (T0329)H36.N as missing WARNING: atoms too close: (T0329)H36.CA and (T0329)F38.CA only 0.000 apart, marking (T0329)H36.CA as missing WARNING: atoms too close: (T0329)E62.C and (T0329)A63.C only 0.000 apart, marking (T0329)A63.C as missing WARNING: atoms too close: (T0329)A63.N and (T0329)G64.N only 0.000 apart, marking (T0329)A63.N as missing WARNING: atoms too close: (T0329)A63.CA and (T0329)G64.CA only 0.000 apart, marking (T0329)A63.CA as missing WARNING: atoms too close: (T0329)T75.C and (T0329)E82.C only 0.000 apart, marking (T0329)E82.C as missing WARNING: atoms too close: (T0329)K76.N and (T0329)A83.N only 0.000 apart, marking (T0329)K76.N as missing WARNING: atoms too close: (T0329)K76.CA and (T0329)A83.CA only 0.000 apart, marking (T0329)K76.CA as missing # WARNING: incomplete conformation T0329 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 222 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file ../model2.ts-submitted looking for model 1 # Found a chain break before 229 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file ../model3.ts-submitted looking for model 1 # Found a chain break before 223 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file ../model4.ts-submitted looking for model 1 # WARNING: incomplete conformation T0329 can't currently be optimized by undertaker # ReadConformPDB reading from PDB file ../model5.ts-submitted looking for model 1 # WARNING: incomplete conformation T0329 can't currently be optimized by undertaker # ReadConformPDB reading from PDB file T0329.try10-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 221 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0329.try10-opt1.pdb.gz looking for model 1 # Found a chain break before 221 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0329.try10-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 221 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0329.try10-opt2.pdb.gz looking for model 1 # Found a chain break before 221 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0329.try10-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 221 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0329.try11-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 231 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0329.try11-opt1.pdb.gz looking for model 1 # Found a chain break before 231 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0329.try11-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 174 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0329.try11-opt2.pdb.gz looking for model 1 # Found a chain break before 231 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0329.try11-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 231 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0329.try12-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 223 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0329.try12-opt1.pdb.gz looking for model 1 # Found a chain break before 223 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0329.try12-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 152 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0329.try12-opt2.pdb.gz looking for model 1 # Found a chain break before 230 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0329.try12-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 230 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0329.try13-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 189 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0329.try13-opt1.pdb.gz looking for model 1 # Found a chain break before 189 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0329.try13-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 152 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0329.try13-opt2.pdb.gz looking for model 1 # Found a chain break before 229 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0329.try13-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 229 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0329.try14-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 222 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0329.try14-opt1.pdb.gz looking for model 1 # Found a chain break before 222 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0329.try14-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 146 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0329.try14-opt2.pdb.gz looking for model 1 # Found a chain break before 222 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0329.try14-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 222 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0329.try2-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 220 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0329.try2-opt1.pdb.gz looking for model 1 # Found a chain break before 220 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0329.try2-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 221 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0329.try2-opt2.pdb.gz looking for model 1 # Found a chain break before 230 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0329.try2-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 230 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0329.try3-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 236 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0329.try3-opt1.pdb.gz looking for model 1 # Found a chain break before 236 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0329.try3-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 236 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0329.try3-opt2.pdb.gz looking for model 1 # Found a chain break before 236 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0329.try3-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 236 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0329.try4-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 221 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0329.try4-opt1.pdb.gz looking for model 1 # Found a chain break before 221 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0329.try4-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 182 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0329.try4-opt2.pdb.gz looking for model 1 # Found a chain break before 223 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0329.try4-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 223 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0329.try5-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 223 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0329.try5-opt1.pdb.gz looking for model 1 # Found a chain break before 223 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0329.try5-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 152 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0329.try5-opt2.pdb.gz looking for model 1 # Found a chain break before 223 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0329.try5-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 223 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0329.try6-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 203 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0329.try6-opt1.pdb.gz looking for model 1 # Found a chain break before 203 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0329.try6-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 96 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0329.try6-opt2.pdb.gz looking for model 1 # Found a chain break before 231 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0329.try6-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 231 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0329.try7-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 223 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0329.try7-opt1.pdb.gz looking for model 1 # Found a chain break before 223 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0329.try7-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 182 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0329.try7-opt2.pdb.gz looking for model 1 # Found a chain break before 230 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0329.try7-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 230 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0329.try8-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 223 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0329.try8-opt1.pdb.gz looking for model 1 # Found a chain break before 223 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0329.try8-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 152 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0329.try8-opt2.pdb.gz looking for model 1 # Found a chain break before 223 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0329.try8-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 223 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0329.try9-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 220 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0329.try9-opt1.pdb.gz looking for model 1 # Found a chain break before 220 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0329.try9-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 217 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0329.try9-opt2.pdb.gz looking for model 1 # Found a chain break before 223 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0329.try9-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 223 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file servers/3D-JIGSAW_POPULUS_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0329 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 216 ; scwrl3 -i /var/tmp/to_scwrl_1393974840.pdb -s /var/tmp/to_scwrl_1393974840.seq -o /var/tmp/from_scwrl_1393974840.pdb > /var/tmp/scwrl_1393974840.log sh: /var/tmp/scwrl_1393974840.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1393974840.pdb or /var/tmp/from_scwrl_1393974840.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1393974840_b.pdb or decoys//var/tmp/from_scwrl_1393974840_b.pdb.gz for input Trying /var/tmp/from_scwrl_1393974840_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1393974840_b.pdb or /var/tmp/from_scwrl_1393974840_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1393974840_a.pdb or decoys//var/tmp/from_scwrl_1393974840_a.pdb.gz for input Trying /var/tmp/from_scwrl_1393974840_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1393974840_a.pdb or /var/tmp/from_scwrl_1393974840_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1393974840.pdb or /var/tmp/from_scwrl_1393974840_b.pdb or /var/tmp/from_scwrl_1393974840_a.pdb Error: no new SCWRL conformation added # 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 T0329 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 216 ; scwrl3 -i /var/tmp/to_scwrl_392984508.pdb -s /var/tmp/to_scwrl_392984508.seq -o /var/tmp/from_scwrl_392984508.pdb > /var/tmp/scwrl_392984508.log sh: /var/tmp/scwrl_392984508.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_392984508.pdb or /var/tmp/from_scwrl_392984508.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_392984508_b.pdb or decoys//var/tmp/from_scwrl_392984508_b.pdb.gz for input Trying /var/tmp/from_scwrl_392984508_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_392984508_b.pdb or /var/tmp/from_scwrl_392984508_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_392984508_a.pdb or decoys//var/tmp/from_scwrl_392984508_a.pdb.gz for input Trying /var/tmp/from_scwrl_392984508_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_392984508_a.pdb or /var/tmp/from_scwrl_392984508_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_392984508.pdb or /var/tmp/from_scwrl_392984508_b.pdb or /var/tmp/from_scwrl_392984508_a.pdb Error: no new SCWRL conformation added # 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 T0329 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 216 ; scwrl3 -i /var/tmp/to_scwrl_612912887.pdb -s /var/tmp/to_scwrl_612912887.seq -o /var/tmp/from_scwrl_612912887.pdb > /var/tmp/scwrl_612912887.log sh: /var/tmp/scwrl_612912887.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_612912887.pdb or /var/tmp/from_scwrl_612912887.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_612912887_b.pdb or decoys//var/tmp/from_scwrl_612912887_b.pdb.gz for input Trying /var/tmp/from_scwrl_612912887_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_612912887_b.pdb or /var/tmp/from_scwrl_612912887_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_612912887_a.pdb or decoys//var/tmp/from_scwrl_612912887_a.pdb.gz for input Trying /var/tmp/from_scwrl_612912887_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_612912887_a.pdb or /var/tmp/from_scwrl_612912887_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_612912887.pdb or /var/tmp/from_scwrl_612912887_b.pdb or /var/tmp/from_scwrl_612912887_a.pdb Error: no new SCWRL conformation added # 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 T0329 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 216 ; scwrl3 -i /var/tmp/to_scwrl_1426849858.pdb -s /var/tmp/to_scwrl_1426849858.seq -o /var/tmp/from_scwrl_1426849858.pdb > /var/tmp/scwrl_1426849858.log sh: /var/tmp/scwrl_1426849858.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1426849858.pdb or /var/tmp/from_scwrl_1426849858.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1426849858_b.pdb or decoys//var/tmp/from_scwrl_1426849858_b.pdb.gz for input Trying /var/tmp/from_scwrl_1426849858_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1426849858_b.pdb or /var/tmp/from_scwrl_1426849858_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1426849858_a.pdb or decoys//var/tmp/from_scwrl_1426849858_a.pdb.gz for input Trying /var/tmp/from_scwrl_1426849858_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1426849858_a.pdb or /var/tmp/from_scwrl_1426849858_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1426849858.pdb or /var/tmp/from_scwrl_1426849858_b.pdb or /var/tmp/from_scwrl_1426849858_a.pdb Error: no new SCWRL conformation added # 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 T0329 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 216 ; scwrl3 -i /var/tmp/to_scwrl_1176649283.pdb -s /var/tmp/to_scwrl_1176649283.seq -o /var/tmp/from_scwrl_1176649283.pdb > /var/tmp/scwrl_1176649283.log sh: /var/tmp/scwrl_1176649283.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1176649283.pdb or /var/tmp/from_scwrl_1176649283.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1176649283_b.pdb or decoys//var/tmp/from_scwrl_1176649283_b.pdb.gz for input Trying /var/tmp/from_scwrl_1176649283_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1176649283_b.pdb or /var/tmp/from_scwrl_1176649283_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1176649283_a.pdb or decoys//var/tmp/from_scwrl_1176649283_a.pdb.gz for input Trying /var/tmp/from_scwrl_1176649283_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1176649283_a.pdb or /var/tmp/from_scwrl_1176649283_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1176649283.pdb or /var/tmp/from_scwrl_1176649283_b.pdb or /var/tmp/from_scwrl_1176649283_a.pdb Error: no new SCWRL conformation added # 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 T0329 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS1 # request to SCWRL produces command: ulimit -t 216 ; scwrl3 -i /var/tmp/to_scwrl_182413913.pdb -s /var/tmp/to_scwrl_182413913.seq -o /var/tmp/from_scwrl_182413913.pdb > /var/tmp/scwrl_182413913.log sh: /var/tmp/scwrl_182413913.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_182413913.pdb or /var/tmp/from_scwrl_182413913.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_182413913_b.pdb or decoys//var/tmp/from_scwrl_182413913_b.pdb.gz for input Trying /var/tmp/from_scwrl_182413913_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_182413913_b.pdb or /var/tmp/from_scwrl_182413913_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_182413913_a.pdb or decoys//var/tmp/from_scwrl_182413913_a.pdb.gz for input Trying /var/tmp/from_scwrl_182413913_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_182413913_a.pdb or /var/tmp/from_scwrl_182413913_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_182413913.pdb or /var/tmp/from_scwrl_182413913_b.pdb or /var/tmp/from_scwrl_182413913_a.pdb Error: no new SCWRL conformation added # 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 T0329 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS2 # request to SCWRL produces command: ulimit -t 216 ; scwrl3 -i /var/tmp/to_scwrl_257474001.pdb -s /var/tmp/to_scwrl_257474001.seq -o /var/tmp/from_scwrl_257474001.pdb > /var/tmp/scwrl_257474001.log sh: /var/tmp/scwrl_257474001.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_257474001.pdb or /var/tmp/from_scwrl_257474001.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_257474001_b.pdb or decoys//var/tmp/from_scwrl_257474001_b.pdb.gz for input Trying /var/tmp/from_scwrl_257474001_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_257474001_b.pdb or /var/tmp/from_scwrl_257474001_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_257474001_a.pdb or decoys//var/tmp/from_scwrl_257474001_a.pdb.gz for input Trying /var/tmp/from_scwrl_257474001_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_257474001_a.pdb or /var/tmp/from_scwrl_257474001_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_257474001.pdb or /var/tmp/from_scwrl_257474001_b.pdb or /var/tmp/from_scwrl_257474001_a.pdb Error: no new SCWRL conformation added # 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 T0329 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS3 # request to SCWRL produces command: ulimit -t 216 ; scwrl3 -i /var/tmp/to_scwrl_1853347764.pdb -s /var/tmp/to_scwrl_1853347764.seq -o /var/tmp/from_scwrl_1853347764.pdb > /var/tmp/scwrl_1853347764.log sh: /var/tmp/scwrl_1853347764.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1853347764.pdb or /var/tmp/from_scwrl_1853347764.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1853347764_b.pdb or decoys//var/tmp/from_scwrl_1853347764_b.pdb.gz for input Trying /var/tmp/from_scwrl_1853347764_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1853347764_b.pdb or /var/tmp/from_scwrl_1853347764_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1853347764_a.pdb or decoys//var/tmp/from_scwrl_1853347764_a.pdb.gz for input Trying /var/tmp/from_scwrl_1853347764_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1853347764_a.pdb or /var/tmp/from_scwrl_1853347764_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1853347764.pdb or /var/tmp/from_scwrl_1853347764_b.pdb or /var/tmp/from_scwrl_1853347764_a.pdb Error: no new SCWRL conformation added # 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 T0329 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS4 # request to SCWRL produces command: ulimit -t 216 ; scwrl3 -i /var/tmp/to_scwrl_1652099792.pdb -s /var/tmp/to_scwrl_1652099792.seq -o /var/tmp/from_scwrl_1652099792.pdb > /var/tmp/scwrl_1652099792.log sh: /var/tmp/scwrl_1652099792.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1652099792.pdb or /var/tmp/from_scwrl_1652099792.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1652099792_b.pdb or decoys//var/tmp/from_scwrl_1652099792_b.pdb.gz for input Trying /var/tmp/from_scwrl_1652099792_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1652099792_b.pdb or /var/tmp/from_scwrl_1652099792_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1652099792_a.pdb or decoys//var/tmp/from_scwrl_1652099792_a.pdb.gz for input Trying /var/tmp/from_scwrl_1652099792_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1652099792_a.pdb or /var/tmp/from_scwrl_1652099792_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1652099792.pdb or /var/tmp/from_scwrl_1652099792_b.pdb or /var/tmp/from_scwrl_1652099792_a.pdb Error: no new SCWRL conformation added # 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 T0329 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS5 # request to SCWRL produces command: ulimit -t 216 ; scwrl3 -i /var/tmp/to_scwrl_964125691.pdb -s /var/tmp/to_scwrl_964125691.seq -o /var/tmp/from_scwrl_964125691.pdb > /var/tmp/scwrl_964125691.log sh: /var/tmp/scwrl_964125691.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_964125691.pdb or /var/tmp/from_scwrl_964125691.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_964125691_b.pdb or decoys//var/tmp/from_scwrl_964125691_b.pdb.gz for input Trying /var/tmp/from_scwrl_964125691_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_964125691_b.pdb or /var/tmp/from_scwrl_964125691_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_964125691_a.pdb or decoys//var/tmp/from_scwrl_964125691_a.pdb.gz for input Trying /var/tmp/from_scwrl_964125691_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_964125691_a.pdb or /var/tmp/from_scwrl_964125691_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_964125691.pdb or /var/tmp/from_scwrl_964125691_b.pdb or /var/tmp/from_scwrl_964125691_a.pdb Error: no new SCWRL conformation added # 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 T0329 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_TS1 # request to SCWRL produces command: ulimit -t 216 ; scwrl3 -i /var/tmp/to_scwrl_1396688282.pdb -s /var/tmp/to_scwrl_1396688282.seq -o /var/tmp/from_scwrl_1396688282.pdb > /var/tmp/scwrl_1396688282.log sh: /var/tmp/scwrl_1396688282.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1396688282.pdb or /var/tmp/from_scwrl_1396688282.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1396688282_b.pdb or decoys//var/tmp/from_scwrl_1396688282_b.pdb.gz for input Trying /var/tmp/from_scwrl_1396688282_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1396688282_b.pdb or /var/tmp/from_scwrl_1396688282_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1396688282_a.pdb or decoys//var/tmp/from_scwrl_1396688282_a.pdb.gz for input Trying /var/tmp/from_scwrl_1396688282_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1396688282_a.pdb or /var/tmp/from_scwrl_1396688282_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1396688282.pdb or /var/tmp/from_scwrl_1396688282_b.pdb or /var/tmp/from_scwrl_1396688282_a.pdb Error: no new SCWRL conformation added # 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 T0329 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_TS2 # request to SCWRL produces command: ulimit -t 216 ; scwrl3 -i /var/tmp/to_scwrl_585063852.pdb -s /var/tmp/to_scwrl_585063852.seq -o /var/tmp/from_scwrl_585063852.pdb > /var/tmp/scwrl_585063852.log sh: /var/tmp/scwrl_585063852.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_585063852.pdb or /var/tmp/from_scwrl_585063852.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_585063852_b.pdb or decoys//var/tmp/from_scwrl_585063852_b.pdb.gz for input Trying /var/tmp/from_scwrl_585063852_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_585063852_b.pdb or /var/tmp/from_scwrl_585063852_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_585063852_a.pdb or decoys//var/tmp/from_scwrl_585063852_a.pdb.gz for input Trying /var/tmp/from_scwrl_585063852_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_585063852_a.pdb or /var/tmp/from_scwrl_585063852_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_585063852.pdb or /var/tmp/from_scwrl_585063852_b.pdb or /var/tmp/from_scwrl_585063852_a.pdb Error: no new SCWRL conformation added # 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 T0329 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_TS3 # request to SCWRL produces command: ulimit -t 216 ; scwrl3 -i /var/tmp/to_scwrl_1952052321.pdb -s /var/tmp/to_scwrl_1952052321.seq -o /var/tmp/from_scwrl_1952052321.pdb > /var/tmp/scwrl_1952052321.log sh: /var/tmp/scwrl_1952052321.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1952052321.pdb or /var/tmp/from_scwrl_1952052321.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1952052321_b.pdb or decoys//var/tmp/from_scwrl_1952052321_b.pdb.gz for input Trying /var/tmp/from_scwrl_1952052321_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1952052321_b.pdb or /var/tmp/from_scwrl_1952052321_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1952052321_a.pdb or decoys//var/tmp/from_scwrl_1952052321_a.pdb.gz for input Trying /var/tmp/from_scwrl_1952052321_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1952052321_a.pdb or /var/tmp/from_scwrl_1952052321_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1952052321.pdb or /var/tmp/from_scwrl_1952052321_b.pdb or /var/tmp/from_scwrl_1952052321_a.pdb Error: no new SCWRL conformation added # naming current conformation 3D-JIGSAW_TS3-scwrl # ReadConformPDB reading from PDB file servers/3D-JIGSAW_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0329 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation 3D-JIGSAW_TS4 # request to SCWRL produces command: ulimit -t 216 ; scwrl3 -i /var/tmp/to_scwrl_1962788175.pdb -s /var/tmp/to_scwrl_1962788175.seq -o /var/tmp/from_scwrl_1962788175.pdb > /var/tmp/scwrl_1962788175.log sh: /var/tmp/scwrl_1962788175.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1962788175.pdb or /var/tmp/from_scwrl_1962788175.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1962788175_b.pdb or decoys//var/tmp/from_scwrl_1962788175_b.pdb.gz for input Trying /var/tmp/from_scwrl_1962788175_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1962788175_b.pdb or /var/tmp/from_scwrl_1962788175_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1962788175_a.pdb or decoys//var/tmp/from_scwrl_1962788175_a.pdb.gz for input Trying /var/tmp/from_scwrl_1962788175_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1962788175_a.pdb or /var/tmp/from_scwrl_1962788175_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1962788175.pdb or /var/tmp/from_scwrl_1962788175_b.pdb or /var/tmp/from_scwrl_1962788175_a.pdb Error: no new SCWRL conformation added # naming current conformation 3D-JIGSAW_TS4-scwrl # ReadConformPDB reading from PDB file servers/3D-JIGSAW_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0329 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_TS5 # request to SCWRL produces command: ulimit -t 216 ; scwrl3 -i /var/tmp/to_scwrl_813815252.pdb -s /var/tmp/to_scwrl_813815252.seq -o /var/tmp/from_scwrl_813815252.pdb > /var/tmp/scwrl_813815252.log sh: /var/tmp/scwrl_813815252.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_813815252.pdb or /var/tmp/from_scwrl_813815252.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_813815252_b.pdb or decoys//var/tmp/from_scwrl_813815252_b.pdb.gz for input Trying /var/tmp/from_scwrl_813815252_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_813815252_b.pdb or /var/tmp/from_scwrl_813815252_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_813815252_a.pdb or decoys//var/tmp/from_scwrl_813815252_a.pdb.gz for input Trying /var/tmp/from_scwrl_813815252_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_813815252_a.pdb or /var/tmp/from_scwrl_813815252_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_813815252.pdb or /var/tmp/from_scwrl_813815252_b.pdb or /var/tmp/from_scwrl_813815252_a.pdb Error: no new SCWRL conformation added # naming current conformation 3D-JIGSAW_TS5-scwrl # ReadConformPDB reading from PDB file servers/3Dpro_TS1.pdb.gz looking for model 1 # Found a chain break before 211 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS1 # request to SCWRL produces command: ulimit -t 216 ; scwrl3 -i /var/tmp/to_scwrl_357937666.pdb -s /var/tmp/to_scwrl_357937666.seq -o /var/tmp/from_scwrl_357937666.pdb > /var/tmp/scwrl_357937666.log sh: /var/tmp/scwrl_357937666.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_357937666.pdb or /var/tmp/from_scwrl_357937666.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_357937666_b.pdb or decoys//var/tmp/from_scwrl_357937666_b.pdb.gz for input Trying /var/tmp/from_scwrl_357937666_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_357937666_b.pdb or /var/tmp/from_scwrl_357937666_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_357937666_a.pdb or decoys//var/tmp/from_scwrl_357937666_a.pdb.gz for input Trying /var/tmp/from_scwrl_357937666_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_357937666_a.pdb or /var/tmp/from_scwrl_357937666_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_357937666.pdb or /var/tmp/from_scwrl_357937666_b.pdb or /var/tmp/from_scwrl_357937666_a.pdb Error: no new SCWRL conformation added # 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 233 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS2 # request to SCWRL produces command: ulimit -t 216 ; scwrl3 -i /var/tmp/to_scwrl_268935170.pdb -s /var/tmp/to_scwrl_268935170.seq -o /var/tmp/from_scwrl_268935170.pdb > /var/tmp/scwrl_268935170.log sh: /var/tmp/scwrl_268935170.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_268935170.pdb or /var/tmp/from_scwrl_268935170.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_268935170_b.pdb or decoys//var/tmp/from_scwrl_268935170_b.pdb.gz for input Trying /var/tmp/from_scwrl_268935170_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_268935170_b.pdb or /var/tmp/from_scwrl_268935170_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_268935170_a.pdb or decoys//var/tmp/from_scwrl_268935170_a.pdb.gz for input Trying /var/tmp/from_scwrl_268935170_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_268935170_a.pdb or /var/tmp/from_scwrl_268935170_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_268935170.pdb or /var/tmp/from_scwrl_268935170_b.pdb or /var/tmp/from_scwrl_268935170_a.pdb Error: no new SCWRL conformation added # 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 167 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS3 # request to SCWRL produces command: ulimit -t 216 ; scwrl3 -i /var/tmp/to_scwrl_815776651.pdb -s /var/tmp/to_scwrl_815776651.seq -o /var/tmp/from_scwrl_815776651.pdb > /var/tmp/scwrl_815776651.log sh: /var/tmp/scwrl_815776651.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_815776651.pdb or /var/tmp/from_scwrl_815776651.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_815776651_b.pdb or decoys//var/tmp/from_scwrl_815776651_b.pdb.gz for input Trying /var/tmp/from_scwrl_815776651_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_815776651_b.pdb or /var/tmp/from_scwrl_815776651_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_815776651_a.pdb or decoys//var/tmp/from_scwrl_815776651_a.pdb.gz for input Trying /var/tmp/from_scwrl_815776651_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_815776651_a.pdb or /var/tmp/from_scwrl_815776651_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_815776651.pdb or /var/tmp/from_scwrl_815776651_b.pdb or /var/tmp/from_scwrl_815776651_a.pdb Error: no new SCWRL conformation added # naming current conformation 3Dpro_TS3-scwrl # ReadConformPDB reading from PDB file servers/3Dpro_TS4.pdb.gz looking for model 1 # Found a chain break before 220 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS4 # request to SCWRL produces command: ulimit -t 216 ; scwrl3 -i /var/tmp/to_scwrl_919980892.pdb -s /var/tmp/to_scwrl_919980892.seq -o /var/tmp/from_scwrl_919980892.pdb > /var/tmp/scwrl_919980892.log sh: /var/tmp/scwrl_919980892.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_919980892.pdb or /var/tmp/from_scwrl_919980892.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_919980892_b.pdb or decoys//var/tmp/from_scwrl_919980892_b.pdb.gz for input Trying /var/tmp/from_scwrl_919980892_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_919980892_b.pdb or /var/tmp/from_scwrl_919980892_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_919980892_a.pdb or decoys//var/tmp/from_scwrl_919980892_a.pdb.gz for input Trying /var/tmp/from_scwrl_919980892_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_919980892_a.pdb or /var/tmp/from_scwrl_919980892_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_919980892.pdb or /var/tmp/from_scwrl_919980892_b.pdb or /var/tmp/from_scwrl_919980892_a.pdb Error: no new SCWRL conformation added # naming current conformation 3Dpro_TS4-scwrl # ReadConformPDB reading from PDB file servers/3Dpro_TS5.pdb.gz looking for model 1 # Found a chain break before 148 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS5 # request to SCWRL produces command: ulimit -t 216 ; scwrl3 -i /var/tmp/to_scwrl_738749134.pdb -s /var/tmp/to_scwrl_738749134.seq -o /var/tmp/from_scwrl_738749134.pdb > /var/tmp/scwrl_738749134.log sh: /var/tmp/scwrl_738749134.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_738749134.pdb or /var/tmp/from_scwrl_738749134.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_738749134_b.pdb or decoys//var/tmp/from_scwrl_738749134_b.pdb.gz for input Trying /var/tmp/from_scwrl_738749134_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_738749134_b.pdb or /var/tmp/from_scwrl_738749134_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_738749134_a.pdb or decoys//var/tmp/from_scwrl_738749134_a.pdb.gz for input Trying /var/tmp/from_scwrl_738749134_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_738749134_a.pdb or /var/tmp/from_scwrl_738749134_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_738749134.pdb or /var/tmp/from_scwrl_738749134_b.pdb or /var/tmp/from_scwrl_738749134_a.pdb Error: no new SCWRL conformation added # 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 234 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS1 # request to SCWRL produces command: ulimit -t 216 ; scwrl3 -i /var/tmp/to_scwrl_2143885579.pdb -s /var/tmp/to_scwrl_2143885579.seq -o /var/tmp/from_scwrl_2143885579.pdb > /var/tmp/scwrl_2143885579.log sh: /var/tmp/scwrl_2143885579.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_2143885579.pdb or /var/tmp/from_scwrl_2143885579.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2143885579_b.pdb or decoys//var/tmp/from_scwrl_2143885579_b.pdb.gz for input Trying /var/tmp/from_scwrl_2143885579_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_2143885579_b.pdb or /var/tmp/from_scwrl_2143885579_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2143885579_a.pdb or decoys//var/tmp/from_scwrl_2143885579_a.pdb.gz for input Trying /var/tmp/from_scwrl_2143885579_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_2143885579_a.pdb or /var/tmp/from_scwrl_2143885579_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_2143885579.pdb or /var/tmp/from_scwrl_2143885579_b.pdb or /var/tmp/from_scwrl_2143885579_a.pdb Error: no new SCWRL conformation added # 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 228 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS2 # request to SCWRL produces command: ulimit -t 216 ; scwrl3 -i /var/tmp/to_scwrl_2003081832.pdb -s /var/tmp/to_scwrl_2003081832.seq -o /var/tmp/from_scwrl_2003081832.pdb > /var/tmp/scwrl_2003081832.log sh: /var/tmp/scwrl_2003081832.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_2003081832.pdb or /var/tmp/from_scwrl_2003081832.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2003081832_b.pdb or decoys//var/tmp/from_scwrl_2003081832_b.pdb.gz for input Trying /var/tmp/from_scwrl_2003081832_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_2003081832_b.pdb or /var/tmp/from_scwrl_2003081832_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2003081832_a.pdb or decoys//var/tmp/from_scwrl_2003081832_a.pdb.gz for input Trying /var/tmp/from_scwrl_2003081832_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_2003081832_a.pdb or /var/tmp/from_scwrl_2003081832_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_2003081832.pdb or /var/tmp/from_scwrl_2003081832_b.pdb or /var/tmp/from_scwrl_2003081832_a.pdb Error: no new SCWRL conformation added # 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 214 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS3 # request to SCWRL produces command: ulimit -t 216 ; scwrl3 -i /var/tmp/to_scwrl_1002920798.pdb -s /var/tmp/to_scwrl_1002920798.seq -o /var/tmp/from_scwrl_1002920798.pdb > /var/tmp/scwrl_1002920798.log sh: /var/tmp/scwrl_1002920798.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1002920798.pdb or /var/tmp/from_scwrl_1002920798.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1002920798_b.pdb or decoys//var/tmp/from_scwrl_1002920798_b.pdb.gz for input Trying /var/tmp/from_scwrl_1002920798_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1002920798_b.pdb or /var/tmp/from_scwrl_1002920798_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1002920798_a.pdb or decoys//var/tmp/from_scwrl_1002920798_a.pdb.gz for input Trying /var/tmp/from_scwrl_1002920798_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1002920798_a.pdb or /var/tmp/from_scwrl_1002920798_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1002920798.pdb or /var/tmp/from_scwrl_1002920798_b.pdb or /var/tmp/from_scwrl_1002920798_a.pdb Error: no new SCWRL conformation added # 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 186 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS4 # request to SCWRL produces command: ulimit -t 216 ; scwrl3 -i /var/tmp/to_scwrl_894258810.pdb -s /var/tmp/to_scwrl_894258810.seq -o /var/tmp/from_scwrl_894258810.pdb > /var/tmp/scwrl_894258810.log sh: /var/tmp/scwrl_894258810.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_894258810.pdb or /var/tmp/from_scwrl_894258810.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_894258810_b.pdb or decoys//var/tmp/from_scwrl_894258810_b.pdb.gz for input Trying /var/tmp/from_scwrl_894258810_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_894258810_b.pdb or /var/tmp/from_scwrl_894258810_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_894258810_a.pdb or decoys//var/tmp/from_scwrl_894258810_a.pdb.gz for input Trying /var/tmp/from_scwrl_894258810_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_894258810_a.pdb or /var/tmp/from_scwrl_894258810_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_894258810.pdb or /var/tmp/from_scwrl_894258810_b.pdb or /var/tmp/from_scwrl_894258810_a.pdb Error: no new SCWRL conformation added # 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 184 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS5 # request to SCWRL produces command: ulimit -t 216 ; scwrl3 -i /var/tmp/to_scwrl_308755530.pdb -s /var/tmp/to_scwrl_308755530.seq -o /var/tmp/from_scwrl_308755530.pdb > /var/tmp/scwrl_308755530.log sh: /var/tmp/scwrl_308755530.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_308755530.pdb or /var/tmp/from_scwrl_308755530.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_308755530_b.pdb or decoys//var/tmp/from_scwrl_308755530_b.pdb.gz for input Trying /var/tmp/from_scwrl_308755530_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_308755530_b.pdb or /var/tmp/from_scwrl_308755530_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_308755530_a.pdb or decoys//var/tmp/from_scwrl_308755530_a.pdb.gz for input Trying /var/tmp/from_scwrl_308755530_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_308755530_a.pdb or /var/tmp/from_scwrl_308755530_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_308755530.pdb or /var/tmp/from_scwrl_308755530_b.pdb or /var/tmp/from_scwrl_308755530_a.pdb Error: no new SCWRL conformation added # 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 152 # copying to AlignedFragments data structure # naming current conformation BayesHH_TS1 # request to SCWRL produces command: ulimit -t 216 ; scwrl3 -i /var/tmp/to_scwrl_1374394769.pdb -s /var/tmp/to_scwrl_1374394769.seq -o /var/tmp/from_scwrl_1374394769.pdb > /var/tmp/scwrl_1374394769.log sh: /var/tmp/scwrl_1374394769.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1374394769.pdb or /var/tmp/from_scwrl_1374394769.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1374394769_b.pdb or decoys//var/tmp/from_scwrl_1374394769_b.pdb.gz for input Trying /var/tmp/from_scwrl_1374394769_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1374394769_b.pdb or /var/tmp/from_scwrl_1374394769_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1374394769_a.pdb or decoys//var/tmp/from_scwrl_1374394769_a.pdb.gz for input Trying /var/tmp/from_scwrl_1374394769_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1374394769_a.pdb or /var/tmp/from_scwrl_1374394769_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1374394769.pdb or /var/tmp/from_scwrl_1374394769_b.pdb or /var/tmp/from_scwrl_1374394769_a.pdb Error: no new SCWRL conformation added # 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 212 # copying to AlignedFragments data structure # naming current conformation Bilab-ENABLE_TS1 # request to SCWRL produces command: ulimit -t 216 ; scwrl3 -i /var/tmp/to_scwrl_1997713161.pdb -s /var/tmp/to_scwrl_1997713161.seq -o /var/tmp/from_scwrl_1997713161.pdb > /var/tmp/scwrl_1997713161.log sh: /var/tmp/scwrl_1997713161.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1997713161.pdb or /var/tmp/from_scwrl_1997713161.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1997713161_b.pdb or decoys//var/tmp/from_scwrl_1997713161_b.pdb.gz for input Trying /var/tmp/from_scwrl_1997713161_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1997713161_b.pdb or /var/tmp/from_scwrl_1997713161_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1997713161_a.pdb or decoys//var/tmp/from_scwrl_1997713161_a.pdb.gz for input Trying /var/tmp/from_scwrl_1997713161_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1997713161_a.pdb or /var/tmp/from_scwrl_1997713161_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1997713161.pdb or /var/tmp/from_scwrl_1997713161_b.pdb or /var/tmp/from_scwrl_1997713161_a.pdb Error: no new SCWRL conformation added # 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 183 # copying to AlignedFragments data structure # naming current conformation Bilab-ENABLE_TS2 # request to SCWRL produces command: ulimit -t 216 ; scwrl3 -i /var/tmp/to_scwrl_82171008.pdb -s /var/tmp/to_scwrl_82171008.seq -o /var/tmp/from_scwrl_82171008.pdb > /var/tmp/scwrl_82171008.log sh: /var/tmp/scwrl_82171008.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_82171008.pdb or /var/tmp/from_scwrl_82171008.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_82171008_b.pdb or decoys//var/tmp/from_scwrl_82171008_b.pdb.gz for input Trying /var/tmp/from_scwrl_82171008_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_82171008_b.pdb or /var/tmp/from_scwrl_82171008_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_82171008_a.pdb or decoys//var/tmp/from_scwrl_82171008_a.pdb.gz for input Trying /var/tmp/from_scwrl_82171008_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_82171008_a.pdb or /var/tmp/from_scwrl_82171008_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_82171008.pdb or /var/tmp/from_scwrl_82171008_b.pdb or /var/tmp/from_scwrl_82171008_a.pdb Error: no new SCWRL conformation added # 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 146 # copying to AlignedFragments data structure # naming current conformation Bilab-ENABLE_TS3 # request to SCWRL produces command: ulimit -t 216 ; scwrl3 -i /var/tmp/to_scwrl_301790869.pdb -s /var/tmp/to_scwrl_301790869.seq -o /var/tmp/from_scwrl_301790869.pdb > /var/tmp/scwrl_301790869.log sh: /var/tmp/scwrl_301790869.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_301790869.pdb or /var/tmp/from_scwrl_301790869.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_301790869_b.pdb or decoys//var/tmp/from_scwrl_301790869_b.pdb.gz for input Trying /var/tmp/from_scwrl_301790869_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_301790869_b.pdb or /var/tmp/from_scwrl_301790869_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_301790869_a.pdb or decoys//var/tmp/from_scwrl_301790869_a.pdb.gz for input Trying /var/tmp/from_scwrl_301790869_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_301790869_a.pdb or /var/tmp/from_scwrl_301790869_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_301790869.pdb or /var/tmp/from_scwrl_301790869_b.pdb or /var/tmp/from_scwrl_301790869_a.pdb Error: no new SCWRL conformation added # 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 137 # copying to AlignedFragments data structure # naming current conformation Bilab-ENABLE_TS4 # request to SCWRL produces command: ulimit -t 216 ; scwrl3 -i /var/tmp/to_scwrl_452369630.pdb -s /var/tmp/to_scwrl_452369630.seq -o /var/tmp/from_scwrl_452369630.pdb > /var/tmp/scwrl_452369630.log sh: /var/tmp/scwrl_452369630.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_452369630.pdb or /var/tmp/from_scwrl_452369630.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_452369630_b.pdb or decoys//var/tmp/from_scwrl_452369630_b.pdb.gz for input Trying /var/tmp/from_scwrl_452369630_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_452369630_b.pdb or /var/tmp/from_scwrl_452369630_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_452369630_a.pdb or decoys//var/tmp/from_scwrl_452369630_a.pdb.gz for input Trying /var/tmp/from_scwrl_452369630_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_452369630_a.pdb or /var/tmp/from_scwrl_452369630_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_452369630.pdb or /var/tmp/from_scwrl_452369630_b.pdb or /var/tmp/from_scwrl_452369630_a.pdb Error: no new SCWRL conformation added # 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 238 # copying to AlignedFragments data structure # naming current conformation Bilab-ENABLE_TS5 # request to SCWRL produces command: ulimit -t 216 ; scwrl3 -i /var/tmp/to_scwrl_716450850.pdb -s /var/tmp/to_scwrl_716450850.seq -o /var/tmp/from_scwrl_716450850.pdb > /var/tmp/scwrl_716450850.log sh: /var/tmp/scwrl_716450850.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_716450850.pdb or /var/tmp/from_scwrl_716450850.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_716450850_b.pdb or decoys//var/tmp/from_scwrl_716450850_b.pdb.gz for input Trying /var/tmp/from_scwrl_716450850_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_716450850_b.pdb or /var/tmp/from_scwrl_716450850_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_716450850_a.pdb or decoys//var/tmp/from_scwrl_716450850_a.pdb.gz for input Trying /var/tmp/from_scwrl_716450850_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_716450850_a.pdb or /var/tmp/from_scwrl_716450850_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_716450850.pdb or /var/tmp/from_scwrl_716450850_b.pdb or /var/tmp/from_scwrl_716450850_a.pdb Error: no new SCWRL conformation added # 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 214 # copying to AlignedFragments data structure # naming current conformation CIRCLE_TS1 # request to SCWRL produces command: ulimit -t 216 ; scwrl3 -i /var/tmp/to_scwrl_1695765709.pdb -s /var/tmp/to_scwrl_1695765709.seq -o /var/tmp/from_scwrl_1695765709.pdb > /var/tmp/scwrl_1695765709.log sh: /var/tmp/scwrl_1695765709.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1695765709.pdb or /var/tmp/from_scwrl_1695765709.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1695765709_b.pdb or decoys//var/tmp/from_scwrl_1695765709_b.pdb.gz for input Trying /var/tmp/from_scwrl_1695765709_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1695765709_b.pdb or /var/tmp/from_scwrl_1695765709_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1695765709_a.pdb or decoys//var/tmp/from_scwrl_1695765709_a.pdb.gz for input Trying /var/tmp/from_scwrl_1695765709_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1695765709_a.pdb or /var/tmp/from_scwrl_1695765709_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1695765709.pdb or /var/tmp/from_scwrl_1695765709_b.pdb or /var/tmp/from_scwrl_1695765709_a.pdb Error: no new SCWRL conformation added # 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 232 # copying to AlignedFragments data structure # naming current conformation CIRCLE_TS2 # request to SCWRL produces command: ulimit -t 216 ; scwrl3 -i /var/tmp/to_scwrl_845354138.pdb -s /var/tmp/to_scwrl_845354138.seq -o /var/tmp/from_scwrl_845354138.pdb > /var/tmp/scwrl_845354138.log sh: /var/tmp/scwrl_845354138.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_845354138.pdb or /var/tmp/from_scwrl_845354138.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_845354138_b.pdb or decoys//var/tmp/from_scwrl_845354138_b.pdb.gz for input Trying /var/tmp/from_scwrl_845354138_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_845354138_b.pdb or /var/tmp/from_scwrl_845354138_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_845354138_a.pdb or decoys//var/tmp/from_scwrl_845354138_a.pdb.gz for input Trying /var/tmp/from_scwrl_845354138_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_845354138_a.pdb or /var/tmp/from_scwrl_845354138_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_845354138.pdb or /var/tmp/from_scwrl_845354138_b.pdb or /var/tmp/from_scwrl_845354138_a.pdb Error: no new SCWRL conformation added # naming current conformation CIRCLE_TS2-scwrl # ReadConformPDB reading from PDB file servers/CIRCLE_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0329 can't currently be optimized by undertaker # naming current conformation CIRCLE_TS3 # request to SCWRL produces command: ulimit -t 216 ; scwrl3 -i /var/tmp/to_scwrl_1329363736.pdb -s /var/tmp/to_scwrl_1329363736.seq -o /var/tmp/from_scwrl_1329363736.pdb > /var/tmp/scwrl_1329363736.log sh: /var/tmp/scwrl_1329363736.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1329363736.pdb or /var/tmp/from_scwrl_1329363736.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1329363736_b.pdb or decoys//var/tmp/from_scwrl_1329363736_b.pdb.gz for input Trying /var/tmp/from_scwrl_1329363736_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1329363736_b.pdb or /var/tmp/from_scwrl_1329363736_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1329363736_a.pdb or decoys//var/tmp/from_scwrl_1329363736_a.pdb.gz for input Trying /var/tmp/from_scwrl_1329363736_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1329363736_a.pdb or /var/tmp/from_scwrl_1329363736_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1329363736.pdb or /var/tmp/from_scwrl_1329363736_b.pdb or /var/tmp/from_scwrl_1329363736_a.pdb Error: no new SCWRL conformation added # naming current conformation CIRCLE_TS3-scwrl # ReadConformPDB reading from PDB file servers/CIRCLE_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0329 can't currently be optimized by undertaker # naming current conformation CIRCLE_TS4 # request to SCWRL produces command: ulimit -t 216 ; scwrl3 -i /var/tmp/to_scwrl_975131921.pdb -s /var/tmp/to_scwrl_975131921.seq -o /var/tmp/from_scwrl_975131921.pdb > /var/tmp/scwrl_975131921.log sh: /var/tmp/scwrl_975131921.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_975131921.pdb or /var/tmp/from_scwrl_975131921.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_975131921_b.pdb or decoys//var/tmp/from_scwrl_975131921_b.pdb.gz for input Trying /var/tmp/from_scwrl_975131921_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_975131921_b.pdb or /var/tmp/from_scwrl_975131921_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_975131921_a.pdb or decoys//var/tmp/from_scwrl_975131921_a.pdb.gz for input Trying /var/tmp/from_scwrl_975131921_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_975131921_a.pdb or /var/tmp/from_scwrl_975131921_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_975131921.pdb or /var/tmp/from_scwrl_975131921_b.pdb or /var/tmp/from_scwrl_975131921_a.pdb Error: no new SCWRL conformation added # naming current conformation CIRCLE_TS4-scwrl # ReadConformPDB reading from PDB file servers/CIRCLE_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0329 can't currently be optimized by undertaker # naming current conformation CIRCLE_TS5 # request to SCWRL produces command: ulimit -t 216 ; scwrl3 -i /var/tmp/to_scwrl_2022003421.pdb -s /var/tmp/to_scwrl_2022003421.seq -o /var/tmp/from_scwrl_2022003421.pdb > /var/tmp/scwrl_2022003421.log sh: /var/tmp/scwrl_2022003421.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_2022003421.pdb or /var/tmp/from_scwrl_2022003421.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2022003421_b.pdb or decoys//var/tmp/from_scwrl_2022003421_b.pdb.gz for input Trying /var/tmp/from_scwrl_2022003421_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_2022003421_b.pdb or /var/tmp/from_scwrl_2022003421_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2022003421_a.pdb or decoys//var/tmp/from_scwrl_2022003421_a.pdb.gz for input Trying /var/tmp/from_scwrl_2022003421_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_2022003421_a.pdb or /var/tmp/from_scwrl_2022003421_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_2022003421.pdb or /var/tmp/from_scwrl_2022003421_b.pdb or /var/tmp/from_scwrl_2022003421_a.pdb Error: no new SCWRL conformation added # naming current conformation CIRCLE_TS5-scwrl # ReadConformPDB reading from PDB file servers/CPHmodels_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0329 can't currently be optimized by undertaker # naming current conformation CPHmodels_TS1 # request to SCWRL produces command: ulimit -t 216 ; scwrl3 -i /var/tmp/to_scwrl_1511777649.pdb -s /var/tmp/to_scwrl_1511777649.seq -o /var/tmp/from_scwrl_1511777649.pdb > /var/tmp/scwrl_1511777649.log sh: /var/tmp/scwrl_1511777649.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1511777649.pdb or /var/tmp/from_scwrl_1511777649.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1511777649_b.pdb or decoys//var/tmp/from_scwrl_1511777649_b.pdb.gz for input Trying /var/tmp/from_scwrl_1511777649_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1511777649_b.pdb or /var/tmp/from_scwrl_1511777649_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1511777649_a.pdb or decoys//var/tmp/from_scwrl_1511777649_a.pdb.gz for input Trying /var/tmp/from_scwrl_1511777649_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1511777649_a.pdb or /var/tmp/from_scwrl_1511777649_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1511777649.pdb or /var/tmp/from_scwrl_1511777649_b.pdb or /var/tmp/from_scwrl_1511777649_a.pdb Error: no new SCWRL conformation added # naming current conformation CPHmodels_TS1-scwrl # ReadConformPDB reading from PDB file servers/CaspIta-FOX_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0329 can't currently be optimized by undertaker # naming current conformation CaspIta-FOX_TS1 # request to SCWRL produces command: ulimit -t 216 ; scwrl3 -i /var/tmp/to_scwrl_1232605922.pdb -s /var/tmp/to_scwrl_1232605922.seq -o /var/tmp/from_scwrl_1232605922.pdb > /var/tmp/scwrl_1232605922.log sh: /var/tmp/scwrl_1232605922.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1232605922.pdb or /var/tmp/from_scwrl_1232605922.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1232605922_b.pdb or decoys//var/tmp/from_scwrl_1232605922_b.pdb.gz for input Trying /var/tmp/from_scwrl_1232605922_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1232605922_b.pdb or /var/tmp/from_scwrl_1232605922_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1232605922_a.pdb or decoys//var/tmp/from_scwrl_1232605922_a.pdb.gz for input Trying /var/tmp/from_scwrl_1232605922_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1232605922_a.pdb or /var/tmp/from_scwrl_1232605922_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1232605922.pdb or /var/tmp/from_scwrl_1232605922_b.pdb or /var/tmp/from_scwrl_1232605922_a.pdb Error: no new SCWRL conformation added # naming current conformation CaspIta-FOX_TS1-scwrl # ReadConformPDB reading from PDB file servers/CaspIta-FOX_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0329 can't currently be optimized by undertaker # naming current conformation CaspIta-FOX_TS2 # request to SCWRL produces command: ulimit -t 216 ; scwrl3 -i /var/tmp/to_scwrl_1727867538.pdb -s /var/tmp/to_scwrl_1727867538.seq -o /var/tmp/from_scwrl_1727867538.pdb > /var/tmp/scwrl_1727867538.log sh: /var/tmp/scwrl_1727867538.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1727867538.pdb or /var/tmp/from_scwrl_1727867538.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1727867538_b.pdb or decoys//var/tmp/from_scwrl_1727867538_b.pdb.gz for input Trying /var/tmp/from_scwrl_1727867538_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1727867538_b.pdb or /var/tmp/from_scwrl_1727867538_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1727867538_a.pdb or decoys//var/tmp/from_scwrl_1727867538_a.pdb.gz for input Trying /var/tmp/from_scwrl_1727867538_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1727867538_a.pdb or /var/tmp/from_scwrl_1727867538_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1727867538.pdb or /var/tmp/from_scwrl_1727867538_b.pdb or /var/tmp/from_scwrl_1727867538_a.pdb Error: no new SCWRL conformation added # naming current conformation CaspIta-FOX_TS2-scwrl # ReadConformPDB reading from PDB file servers/CaspIta-FOX_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0329 can't currently be optimized by undertaker # naming current conformation CaspIta-FOX_TS3 # request to SCWRL produces command: ulimit -t 216 ; scwrl3 -i /var/tmp/to_scwrl_1016393796.pdb -s /var/tmp/to_scwrl_1016393796.seq -o /var/tmp/from_scwrl_1016393796.pdb > /var/tmp/scwrl_1016393796.log sh: /var/tmp/scwrl_1016393796.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1016393796.pdb or /var/tmp/from_scwrl_1016393796.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1016393796_b.pdb or decoys//var/tmp/from_scwrl_1016393796_b.pdb.gz for input Trying /var/tmp/from_scwrl_1016393796_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1016393796_b.pdb or /var/tmp/from_scwrl_1016393796_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1016393796_a.pdb or decoys//var/tmp/from_scwrl_1016393796_a.pdb.gz for input Trying /var/tmp/from_scwrl_1016393796_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1016393796_a.pdb or /var/tmp/from_scwrl_1016393796_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1016393796.pdb or /var/tmp/from_scwrl_1016393796_b.pdb or /var/tmp/from_scwrl_1016393796_a.pdb Error: no new SCWRL conformation added # naming current conformation CaspIta-FOX_TS3-scwrl # ReadConformPDB reading from PDB file servers/CaspIta-FOX_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0329 can't currently be optimized by undertaker # naming current conformation CaspIta-FOX_TS4 # request to SCWRL produces command: ulimit -t 216 ; scwrl3 -i /var/tmp/to_scwrl_49247966.pdb -s /var/tmp/to_scwrl_49247966.seq -o /var/tmp/from_scwrl_49247966.pdb > /var/tmp/scwrl_49247966.log sh: /var/tmp/scwrl_49247966.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_49247966.pdb or /var/tmp/from_scwrl_49247966.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_49247966_b.pdb or decoys//var/tmp/from_scwrl_49247966_b.pdb.gz for input Trying /var/tmp/from_scwrl_49247966_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_49247966_b.pdb or /var/tmp/from_scwrl_49247966_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_49247966_a.pdb or decoys//var/tmp/from_scwrl_49247966_a.pdb.gz for input Trying /var/tmp/from_scwrl_49247966_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_49247966_a.pdb or /var/tmp/from_scwrl_49247966_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_49247966.pdb or /var/tmp/from_scwrl_49247966_b.pdb or /var/tmp/from_scwrl_49247966_a.pdb Error: no new SCWRL conformation added # 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 T0329 can't currently be optimized by undertaker # naming current conformation CaspIta-FOX_TS5 # request to SCWRL produces command: ulimit -t 216 ; scwrl3 -i /var/tmp/to_scwrl_977072174.pdb -s /var/tmp/to_scwrl_977072174.seq -o /var/tmp/from_scwrl_977072174.pdb > /var/tmp/scwrl_977072174.log sh: /var/tmp/scwrl_977072174.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_977072174.pdb or /var/tmp/from_scwrl_977072174.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_977072174_b.pdb or decoys//var/tmp/from_scwrl_977072174_b.pdb.gz for input Trying /var/tmp/from_scwrl_977072174_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_977072174_b.pdb or /var/tmp/from_scwrl_977072174_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_977072174_a.pdb or decoys//var/tmp/from_scwrl_977072174_a.pdb.gz for input Trying /var/tmp/from_scwrl_977072174_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_977072174_a.pdb or /var/tmp/from_scwrl_977072174_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_977072174.pdb or /var/tmp/from_scwrl_977072174_b.pdb or /var/tmp/from_scwrl_977072174_a.pdb Error: no new SCWRL conformation added # naming current conformation CaspIta-FOX_TS5-scwrl # ReadConformPDB reading from PDB file servers/Distill_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0329 can't currently be optimized by undertaker # naming current conformation Distill_TS1 # request to SCWRL produces command: ulimit -t 216 ; scwrl3 -i /var/tmp/to_scwrl_1601457647.pdb -s /var/tmp/to_scwrl_1601457647.seq -o /var/tmp/from_scwrl_1601457647.pdb > /var/tmp/scwrl_1601457647.log sh: /var/tmp/scwrl_1601457647.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1601457647.pdb or /var/tmp/from_scwrl_1601457647.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1601457647_b.pdb or decoys//var/tmp/from_scwrl_1601457647_b.pdb.gz for input Trying /var/tmp/from_scwrl_1601457647_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1601457647_b.pdb or /var/tmp/from_scwrl_1601457647_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1601457647_a.pdb or decoys//var/tmp/from_scwrl_1601457647_a.pdb.gz for input Trying /var/tmp/from_scwrl_1601457647_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1601457647_a.pdb or /var/tmp/from_scwrl_1601457647_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1601457647.pdb or /var/tmp/from_scwrl_1601457647_b.pdb or /var/tmp/from_scwrl_1601457647_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 T0329 can't currently be optimized by undertaker # naming current conformation Distill_TS2 # request to SCWRL produces command: ulimit -t 216 ; scwrl3 -i /var/tmp/to_scwrl_2001300287.pdb -s /var/tmp/to_scwrl_2001300287.seq -o /var/tmp/from_scwrl_2001300287.pdb > /var/tmp/scwrl_2001300287.log sh: /var/tmp/scwrl_2001300287.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_2001300287.pdb or /var/tmp/from_scwrl_2001300287.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2001300287_b.pdb or decoys//var/tmp/from_scwrl_2001300287_b.pdb.gz for input Trying /var/tmp/from_scwrl_2001300287_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_2001300287_b.pdb or /var/tmp/from_scwrl_2001300287_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2001300287_a.pdb or decoys//var/tmp/from_scwrl_2001300287_a.pdb.gz for input Trying /var/tmp/from_scwrl_2001300287_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_2001300287_a.pdb or /var/tmp/from_scwrl_2001300287_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_2001300287.pdb or /var/tmp/from_scwrl_2001300287_b.pdb or /var/tmp/from_scwrl_2001300287_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 T0329 can't currently be optimized by undertaker # naming current conformation Distill_TS3 # request to SCWRL produces command: ulimit -t 216 ; scwrl3 -i /var/tmp/to_scwrl_792376703.pdb -s /var/tmp/to_scwrl_792376703.seq -o /var/tmp/from_scwrl_792376703.pdb > /var/tmp/scwrl_792376703.log sh: /var/tmp/scwrl_792376703.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_792376703.pdb or /var/tmp/from_scwrl_792376703.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_792376703_b.pdb or decoys//var/tmp/from_scwrl_792376703_b.pdb.gz for input Trying /var/tmp/from_scwrl_792376703_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_792376703_b.pdb or /var/tmp/from_scwrl_792376703_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_792376703_a.pdb or decoys//var/tmp/from_scwrl_792376703_a.pdb.gz for input Trying /var/tmp/from_scwrl_792376703_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_792376703_a.pdb or /var/tmp/from_scwrl_792376703_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_792376703.pdb or /var/tmp/from_scwrl_792376703_b.pdb or /var/tmp/from_scwrl_792376703_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 T0329 can't currently be optimized by undertaker # naming current conformation Distill_TS4 # request to SCWRL produces command: ulimit -t 216 ; scwrl3 -i /var/tmp/to_scwrl_267789252.pdb -s /var/tmp/to_scwrl_267789252.seq -o /var/tmp/from_scwrl_267789252.pdb > /var/tmp/scwrl_267789252.log sh: /var/tmp/scwrl_267789252.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_267789252.pdb or /var/tmp/from_scwrl_267789252.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_267789252_b.pdb or decoys//var/tmp/from_scwrl_267789252_b.pdb.gz for input Trying /var/tmp/from_scwrl_267789252_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_267789252_b.pdb or /var/tmp/from_scwrl_267789252_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_267789252_a.pdb or decoys//var/tmp/from_scwrl_267789252_a.pdb.gz for input Trying /var/tmp/from_scwrl_267789252_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_267789252_a.pdb or /var/tmp/from_scwrl_267789252_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_267789252.pdb or /var/tmp/from_scwrl_267789252_b.pdb or /var/tmp/from_scwrl_267789252_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 T0329 can't currently be optimized by undertaker # naming current conformation Distill_TS5 # request to SCWRL produces command: ulimit -t 216 ; scwrl3 -i /var/tmp/to_scwrl_211754307.pdb -s /var/tmp/to_scwrl_211754307.seq -o /var/tmp/from_scwrl_211754307.pdb > /var/tmp/scwrl_211754307.log sh: /var/tmp/scwrl_211754307.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_211754307.pdb or /var/tmp/from_scwrl_211754307.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_211754307_b.pdb or decoys//var/tmp/from_scwrl_211754307_b.pdb.gz for input Trying /var/tmp/from_scwrl_211754307_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_211754307_b.pdb or /var/tmp/from_scwrl_211754307_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_211754307_a.pdb or decoys//var/tmp/from_scwrl_211754307_a.pdb.gz for input Trying /var/tmp/from_scwrl_211754307_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_211754307_a.pdb or /var/tmp/from_scwrl_211754307_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_211754307.pdb or /var/tmp/from_scwrl_211754307_b.pdb or /var/tmp/from_scwrl_211754307_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 232 # copying to AlignedFragments data structure # naming current conformation FAMSD_TS1 # request to SCWRL produces command: ulimit -t 216 ; scwrl3 -i /var/tmp/to_scwrl_1061311873.pdb -s /var/tmp/to_scwrl_1061311873.seq -o /var/tmp/from_scwrl_1061311873.pdb > /var/tmp/scwrl_1061311873.log sh: /var/tmp/scwrl_1061311873.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1061311873.pdb or /var/tmp/from_scwrl_1061311873.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1061311873_b.pdb or decoys//var/tmp/from_scwrl_1061311873_b.pdb.gz for input Trying /var/tmp/from_scwrl_1061311873_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1061311873_b.pdb or /var/tmp/from_scwrl_1061311873_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1061311873_a.pdb or decoys//var/tmp/from_scwrl_1061311873_a.pdb.gz for input Trying /var/tmp/from_scwrl_1061311873_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1061311873_a.pdb or /var/tmp/from_scwrl_1061311873_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1061311873.pdb or /var/tmp/from_scwrl_1061311873_b.pdb or /var/tmp/from_scwrl_1061311873_a.pdb Error: no new SCWRL conformation added # naming current conformation FAMSD_TS1-scwrl # ReadConformPDB reading from PDB file servers/FAMSD_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0329 can't currently be optimized by undertaker # naming current conformation FAMSD_TS2 # request to SCWRL produces command: ulimit -t 216 ; scwrl3 -i /var/tmp/to_scwrl_1083565902.pdb -s /var/tmp/to_scwrl_1083565902.seq -o /var/tmp/from_scwrl_1083565902.pdb > /var/tmp/scwrl_1083565902.log sh: /var/tmp/scwrl_1083565902.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1083565902.pdb or /var/tmp/from_scwrl_1083565902.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1083565902_b.pdb or decoys//var/tmp/from_scwrl_1083565902_b.pdb.gz for input Trying /var/tmp/from_scwrl_1083565902_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1083565902_b.pdb or /var/tmp/from_scwrl_1083565902_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1083565902_a.pdb or decoys//var/tmp/from_scwrl_1083565902_a.pdb.gz for input Trying /var/tmp/from_scwrl_1083565902_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1083565902_a.pdb or /var/tmp/from_scwrl_1083565902_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1083565902.pdb or /var/tmp/from_scwrl_1083565902_b.pdb or /var/tmp/from_scwrl_1083565902_a.pdb Error: no new SCWRL conformation added # naming current conformation FAMSD_TS2-scwrl # ReadConformPDB reading from PDB file servers/FAMSD_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0329 can't currently be optimized by undertaker # naming current conformation FAMSD_TS3 # request to SCWRL produces command: ulimit -t 216 ; scwrl3 -i /var/tmp/to_scwrl_1131735198.pdb -s /var/tmp/to_scwrl_1131735198.seq -o /var/tmp/from_scwrl_1131735198.pdb > /var/tmp/scwrl_1131735198.log sh: /var/tmp/scwrl_1131735198.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1131735198.pdb or /var/tmp/from_scwrl_1131735198.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1131735198_b.pdb or decoys//var/tmp/from_scwrl_1131735198_b.pdb.gz for input Trying /var/tmp/from_scwrl_1131735198_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1131735198_b.pdb or /var/tmp/from_scwrl_1131735198_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1131735198_a.pdb or decoys//var/tmp/from_scwrl_1131735198_a.pdb.gz for input Trying /var/tmp/from_scwrl_1131735198_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1131735198_a.pdb or /var/tmp/from_scwrl_1131735198_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1131735198.pdb or /var/tmp/from_scwrl_1131735198_b.pdb or /var/tmp/from_scwrl_1131735198_a.pdb Error: no new SCWRL conformation added # naming current conformation FAMSD_TS3-scwrl # ReadConformPDB reading from PDB file servers/FAMSD_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0329 can't currently be optimized by undertaker # naming current conformation FAMSD_TS4 # request to SCWRL produces command: ulimit -t 216 ; scwrl3 -i /var/tmp/to_scwrl_1800061007.pdb -s /var/tmp/to_scwrl_1800061007.seq -o /var/tmp/from_scwrl_1800061007.pdb > /var/tmp/scwrl_1800061007.log sh: /var/tmp/scwrl_1800061007.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1800061007.pdb or /var/tmp/from_scwrl_1800061007.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1800061007_b.pdb or decoys//var/tmp/from_scwrl_1800061007_b.pdb.gz for input Trying /var/tmp/from_scwrl_1800061007_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1800061007_b.pdb or /var/tmp/from_scwrl_1800061007_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1800061007_a.pdb or decoys//var/tmp/from_scwrl_1800061007_a.pdb.gz for input Trying /var/tmp/from_scwrl_1800061007_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1800061007_a.pdb or /var/tmp/from_scwrl_1800061007_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1800061007.pdb or /var/tmp/from_scwrl_1800061007_b.pdb or /var/tmp/from_scwrl_1800061007_a.pdb Error: no new SCWRL conformation added # naming current conformation FAMSD_TS4-scwrl # ReadConformPDB reading from PDB file servers/FAMSD_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0329 can't currently be optimized by undertaker # naming current conformation FAMSD_TS5 # request to SCWRL produces command: ulimit -t 216 ; scwrl3 -i /var/tmp/to_scwrl_1079967835.pdb -s /var/tmp/to_scwrl_1079967835.seq -o /var/tmp/from_scwrl_1079967835.pdb > /var/tmp/scwrl_1079967835.log sh: /var/tmp/scwrl_1079967835.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1079967835.pdb or /var/tmp/from_scwrl_1079967835.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1079967835_b.pdb or decoys//var/tmp/from_scwrl_1079967835_b.pdb.gz for input Trying /var/tmp/from_scwrl_1079967835_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1079967835_b.pdb or /var/tmp/from_scwrl_1079967835_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1079967835_a.pdb or decoys//var/tmp/from_scwrl_1079967835_a.pdb.gz for input Trying /var/tmp/from_scwrl_1079967835_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1079967835_a.pdb or /var/tmp/from_scwrl_1079967835_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1079967835.pdb or /var/tmp/from_scwrl_1079967835_b.pdb or /var/tmp/from_scwrl_1079967835_a.pdb Error: no new SCWRL conformation added # 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 238 # copying to AlignedFragments data structure # naming current conformation FAMS_TS1 # request to SCWRL produces command: ulimit -t 216 ; scwrl3 -i /var/tmp/to_scwrl_987333385.pdb -s /var/tmp/to_scwrl_987333385.seq -o /var/tmp/from_scwrl_987333385.pdb > /var/tmp/scwrl_987333385.log sh: /var/tmp/scwrl_987333385.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_987333385.pdb or /var/tmp/from_scwrl_987333385.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_987333385_b.pdb or decoys//var/tmp/from_scwrl_987333385_b.pdb.gz for input Trying /var/tmp/from_scwrl_987333385_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_987333385_b.pdb or /var/tmp/from_scwrl_987333385_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_987333385_a.pdb or decoys//var/tmp/from_scwrl_987333385_a.pdb.gz for input Trying /var/tmp/from_scwrl_987333385_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_987333385_a.pdb or /var/tmp/from_scwrl_987333385_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_987333385.pdb or /var/tmp/from_scwrl_987333385_b.pdb or /var/tmp/from_scwrl_987333385_a.pdb Error: no new SCWRL conformation added # naming current conformation FAMS_TS1-scwrl # ReadConformPDB reading from PDB file servers/FAMS_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0329 can't currently be optimized by undertaker # naming current conformation FAMS_TS2 # request to SCWRL produces command: ulimit -t 216 ; scwrl3 -i /var/tmp/to_scwrl_655498158.pdb -s /var/tmp/to_scwrl_655498158.seq -o /var/tmp/from_scwrl_655498158.pdb > /var/tmp/scwrl_655498158.log sh: /var/tmp/scwrl_655498158.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_655498158.pdb or /var/tmp/from_scwrl_655498158.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_655498158_b.pdb or decoys//var/tmp/from_scwrl_655498158_b.pdb.gz for input Trying /var/tmp/from_scwrl_655498158_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_655498158_b.pdb or /var/tmp/from_scwrl_655498158_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_655498158_a.pdb or decoys//var/tmp/from_scwrl_655498158_a.pdb.gz for input Trying /var/tmp/from_scwrl_655498158_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_655498158_a.pdb or /var/tmp/from_scwrl_655498158_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_655498158.pdb or /var/tmp/from_scwrl_655498158_b.pdb or /var/tmp/from_scwrl_655498158_a.pdb Error: no new SCWRL conformation added # naming current conformation FAMS_TS2-scwrl # ReadConformPDB reading from PDB file servers/FAMS_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0329 can't currently be optimized by undertaker # naming current conformation FAMS_TS3 # request to SCWRL produces command: ulimit -t 216 ; scwrl3 -i /var/tmp/to_scwrl_1974226645.pdb -s /var/tmp/to_scwrl_1974226645.seq -o /var/tmp/from_scwrl_1974226645.pdb > /var/tmp/scwrl_1974226645.log sh: /var/tmp/scwrl_1974226645.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1974226645.pdb or /var/tmp/from_scwrl_1974226645.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1974226645_b.pdb or decoys//var/tmp/from_scwrl_1974226645_b.pdb.gz for input Trying /var/tmp/from_scwrl_1974226645_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1974226645_b.pdb or /var/tmp/from_scwrl_1974226645_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1974226645_a.pdb or decoys//var/tmp/from_scwrl_1974226645_a.pdb.gz for input Trying /var/tmp/from_scwrl_1974226645_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1974226645_a.pdb or /var/tmp/from_scwrl_1974226645_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1974226645.pdb or /var/tmp/from_scwrl_1974226645_b.pdb or /var/tmp/from_scwrl_1974226645_a.pdb Error: no new SCWRL conformation added # naming current conformation FAMS_TS3-scwrl # ReadConformPDB reading from PDB file servers/FAMS_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0329 can't currently be optimized by undertaker # naming current conformation FAMS_TS4 # request to SCWRL produces command: ulimit -t 216 ; scwrl3 -i /var/tmp/to_scwrl_1296088914.pdb -s /var/tmp/to_scwrl_1296088914.seq -o /var/tmp/from_scwrl_1296088914.pdb > /var/tmp/scwrl_1296088914.log sh: /var/tmp/scwrl_1296088914.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1296088914.pdb or /var/tmp/from_scwrl_1296088914.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1296088914_b.pdb or decoys//var/tmp/from_scwrl_1296088914_b.pdb.gz for input Trying /var/tmp/from_scwrl_1296088914_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1296088914_b.pdb or /var/tmp/from_scwrl_1296088914_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1296088914_a.pdb or decoys//var/tmp/from_scwrl_1296088914_a.pdb.gz for input Trying /var/tmp/from_scwrl_1296088914_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1296088914_a.pdb or /var/tmp/from_scwrl_1296088914_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1296088914.pdb or /var/tmp/from_scwrl_1296088914_b.pdb or /var/tmp/from_scwrl_1296088914_a.pdb Error: no new SCWRL conformation added # naming current conformation FAMS_TS4-scwrl # ReadConformPDB reading from PDB file servers/FAMS_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0329 can't currently be optimized by undertaker # naming current conformation FAMS_TS5 # request to SCWRL produces command: ulimit -t 216 ; scwrl3 -i /var/tmp/to_scwrl_2029892927.pdb -s /var/tmp/to_scwrl_2029892927.seq -o /var/tmp/from_scwrl_2029892927.pdb > /var/tmp/scwrl_2029892927.log sh: /var/tmp/scwrl_2029892927.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_2029892927.pdb or /var/tmp/from_scwrl_2029892927.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2029892927_b.pdb or decoys//var/tmp/from_scwrl_2029892927_b.pdb.gz for input Trying /var/tmp/from_scwrl_2029892927_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_2029892927_b.pdb or /var/tmp/from_scwrl_2029892927_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2029892927_a.pdb or decoys//var/tmp/from_scwrl_2029892927_a.pdb.gz for input Trying /var/tmp/from_scwrl_2029892927_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_2029892927_a.pdb or /var/tmp/from_scwrl_2029892927_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_2029892927.pdb or /var/tmp/from_scwrl_2029892927_b.pdb or /var/tmp/from_scwrl_2029892927_a.pdb Error: no new SCWRL conformation added # 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 78 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS1 # request to SCWRL produces command: ulimit -t 216 ; scwrl3 -i /var/tmp/to_scwrl_1824456159.pdb -s /var/tmp/to_scwrl_1824456159.seq -o /var/tmp/from_scwrl_1824456159.pdb > /var/tmp/scwrl_1824456159.log sh: /var/tmp/scwrl_1824456159.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1824456159.pdb or /var/tmp/from_scwrl_1824456159.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1824456159_b.pdb or decoys//var/tmp/from_scwrl_1824456159_b.pdb.gz for input Trying /var/tmp/from_scwrl_1824456159_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1824456159_b.pdb or /var/tmp/from_scwrl_1824456159_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1824456159_a.pdb or decoys//var/tmp/from_scwrl_1824456159_a.pdb.gz for input Trying /var/tmp/from_scwrl_1824456159_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1824456159_a.pdb or /var/tmp/from_scwrl_1824456159_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1824456159.pdb or /var/tmp/from_scwrl_1824456159_b.pdb or /var/tmp/from_scwrl_1824456159_a.pdb Error: no new SCWRL conformation added # 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 217 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS2 # request to SCWRL produces command: ulimit -t 216 ; scwrl3 -i /var/tmp/to_scwrl_1378259922.pdb -s /var/tmp/to_scwrl_1378259922.seq -o /var/tmp/from_scwrl_1378259922.pdb > /var/tmp/scwrl_1378259922.log sh: /var/tmp/scwrl_1378259922.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1378259922.pdb or /var/tmp/from_scwrl_1378259922.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1378259922_b.pdb or decoys//var/tmp/from_scwrl_1378259922_b.pdb.gz for input Trying /var/tmp/from_scwrl_1378259922_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1378259922_b.pdb or /var/tmp/from_scwrl_1378259922_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1378259922_a.pdb or decoys//var/tmp/from_scwrl_1378259922_a.pdb.gz for input Trying /var/tmp/from_scwrl_1378259922_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1378259922_a.pdb or /var/tmp/from_scwrl_1378259922_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1378259922.pdb or /var/tmp/from_scwrl_1378259922_b.pdb or /var/tmp/from_scwrl_1378259922_a.pdb Error: no new SCWRL conformation added # 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 180 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS3 # request to SCWRL produces command: ulimit -t 216 ; scwrl3 -i /var/tmp/to_scwrl_184200149.pdb -s /var/tmp/to_scwrl_184200149.seq -o /var/tmp/from_scwrl_184200149.pdb > /var/tmp/scwrl_184200149.log sh: /var/tmp/scwrl_184200149.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_184200149.pdb or /var/tmp/from_scwrl_184200149.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_184200149_b.pdb or decoys//var/tmp/from_scwrl_184200149_b.pdb.gz for input Trying /var/tmp/from_scwrl_184200149_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_184200149_b.pdb or /var/tmp/from_scwrl_184200149_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_184200149_a.pdb or decoys//var/tmp/from_scwrl_184200149_a.pdb.gz for input Trying /var/tmp/from_scwrl_184200149_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_184200149_a.pdb or /var/tmp/from_scwrl_184200149_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_184200149.pdb or /var/tmp/from_scwrl_184200149_b.pdb or /var/tmp/from_scwrl_184200149_a.pdb Error: no new SCWRL conformation added # naming current conformation FOLDpro_TS3-scwrl # ReadConformPDB reading from PDB file servers/FOLDpro_TS4.pdb.gz looking for model 1 # Found a chain break before 159 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS4 # request to SCWRL produces command: ulimit -t 216 ; scwrl3 -i /var/tmp/to_scwrl_129342142.pdb -s /var/tmp/to_scwrl_129342142.seq -o /var/tmp/from_scwrl_129342142.pdb > /var/tmp/scwrl_129342142.log sh: /var/tmp/scwrl_129342142.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_129342142.pdb or /var/tmp/from_scwrl_129342142.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_129342142_b.pdb or decoys//var/tmp/from_scwrl_129342142_b.pdb.gz for input Trying /var/tmp/from_scwrl_129342142_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_129342142_b.pdb or /var/tmp/from_scwrl_129342142_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_129342142_a.pdb or decoys//var/tmp/from_scwrl_129342142_a.pdb.gz for input Trying /var/tmp/from_scwrl_129342142_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_129342142_a.pdb or /var/tmp/from_scwrl_129342142_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_129342142.pdb or /var/tmp/from_scwrl_129342142_b.pdb or /var/tmp/from_scwrl_129342142_a.pdb Error: no new SCWRL conformation added # naming current conformation FOLDpro_TS4-scwrl # ReadConformPDB reading from PDB file servers/FOLDpro_TS5.pdb.gz looking for model 1 # Found a chain break before 217 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS5 # request to SCWRL produces command: ulimit -t 216 ; scwrl3 -i /var/tmp/to_scwrl_2094710772.pdb -s /var/tmp/to_scwrl_2094710772.seq -o /var/tmp/from_scwrl_2094710772.pdb > /var/tmp/scwrl_2094710772.log sh: /var/tmp/scwrl_2094710772.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_2094710772.pdb or /var/tmp/from_scwrl_2094710772.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2094710772_b.pdb or decoys//var/tmp/from_scwrl_2094710772_b.pdb.gz for input Trying /var/tmp/from_scwrl_2094710772_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_2094710772_b.pdb or /var/tmp/from_scwrl_2094710772_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2094710772_a.pdb or decoys//var/tmp/from_scwrl_2094710772_a.pdb.gz for input Trying /var/tmp/from_scwrl_2094710772_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_2094710772_a.pdb or /var/tmp/from_scwrl_2094710772_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_2094710772.pdb or /var/tmp/from_scwrl_2094710772_b.pdb or /var/tmp/from_scwrl_2094710772_a.pdb Error: no new SCWRL conformation added # naming current conformation FOLDpro_TS5-scwrl # ReadConformPDB reading from PDB file servers/FORTE1_AL1.pdb.gz looking for model 1 Skipped atom 38, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL1.pdb.gz Skipped atom 40, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL1.pdb.gz Skipped atom 42, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL1.pdb.gz Skipped atom 44, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL1.pdb.gz Skipped atom 102, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL1.pdb.gz Skipped atom 104, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL1.pdb.gz Skipped atom 106, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL1.pdb.gz Skipped atom 108, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL1.pdb.gz Skipped atom 210, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL1.pdb.gz Skipped atom 212, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL1.pdb.gz Skipped atom 214, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL1.pdb.gz Skipped atom 216, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL1.pdb.gz Skipped atom 266, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL1.pdb.gz Skipped atom 268, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL1.pdb.gz Skipped atom 270, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL1.pdb.gz Skipped atom 272, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL1.pdb.gz Skipped atom 510, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL1.pdb.gz Skipped atom 512, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL1.pdb.gz Skipped atom 514, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL1.pdb.gz Skipped atom 516, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL1.pdb.gz # WARNING: incomplete conformation T0329 can't currently be optimized by undertaker # naming current conformation FORTE1_AL1 # request to SCWRL produces command: ulimit -t 216 ; scwrl3 -i /var/tmp/to_scwrl_1879965858.pdb -s /var/tmp/to_scwrl_1879965858.seq -o /var/tmp/from_scwrl_1879965858.pdb > /var/tmp/scwrl_1879965858.log sh: /var/tmp/scwrl_1879965858.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1879965858.pdb or /var/tmp/from_scwrl_1879965858.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1879965858_b.pdb or decoys//var/tmp/from_scwrl_1879965858_b.pdb.gz for input Trying /var/tmp/from_scwrl_1879965858_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1879965858_b.pdb or /var/tmp/from_scwrl_1879965858_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1879965858_a.pdb or decoys//var/tmp/from_scwrl_1879965858_a.pdb.gz for input Trying /var/tmp/from_scwrl_1879965858_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1879965858_a.pdb or /var/tmp/from_scwrl_1879965858_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1879965858.pdb or /var/tmp/from_scwrl_1879965858_b.pdb or /var/tmp/from_scwrl_1879965858_a.pdb Error: no new SCWRL conformation added # naming current conformation FORTE1_AL1-scwrl # ReadConformPDB reading from PDB file servers/FORTE1_AL2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0329 can't currently be optimized by undertaker # naming current conformation FORTE1_AL2 # request to SCWRL produces command: ulimit -t 216 ; scwrl3 -i /var/tmp/to_scwrl_974696281.pdb -s /var/tmp/to_scwrl_974696281.seq -o /var/tmp/from_scwrl_974696281.pdb > /var/tmp/scwrl_974696281.log sh: /var/tmp/scwrl_974696281.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_974696281.pdb or /var/tmp/from_scwrl_974696281.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_974696281_b.pdb or decoys//var/tmp/from_scwrl_974696281_b.pdb.gz for input Trying /var/tmp/from_scwrl_974696281_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_974696281_b.pdb or /var/tmp/from_scwrl_974696281_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_974696281_a.pdb or decoys//var/tmp/from_scwrl_974696281_a.pdb.gz for input Trying /var/tmp/from_scwrl_974696281_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_974696281_a.pdb or /var/tmp/from_scwrl_974696281_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_974696281.pdb or /var/tmp/from_scwrl_974696281_b.pdb or /var/tmp/from_scwrl_974696281_a.pdb Error: no new SCWRL conformation added # naming current conformation FORTE1_AL2-scwrl # ReadConformPDB reading from PDB file servers/FORTE1_AL3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0329 can't currently be optimized by undertaker # naming current conformation FORTE1_AL3 # request to SCWRL produces command: ulimit -t 216 ; scwrl3 -i /var/tmp/to_scwrl_1276590862.pdb -s /var/tmp/to_scwrl_1276590862.seq -o /var/tmp/from_scwrl_1276590862.pdb > /var/tmp/scwrl_1276590862.log sh: /var/tmp/scwrl_1276590862.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1276590862.pdb or /var/tmp/from_scwrl_1276590862.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1276590862_b.pdb or decoys//var/tmp/from_scwrl_1276590862_b.pdb.gz for input Trying /var/tmp/from_scwrl_1276590862_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1276590862_b.pdb or /var/tmp/from_scwrl_1276590862_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1276590862_a.pdb or decoys//var/tmp/from_scwrl_1276590862_a.pdb.gz for input Trying /var/tmp/from_scwrl_1276590862_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1276590862_a.pdb or /var/tmp/from_scwrl_1276590862_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1276590862.pdb or /var/tmp/from_scwrl_1276590862_b.pdb or /var/tmp/from_scwrl_1276590862_a.pdb Error: no new SCWRL conformation added # naming current conformation FORTE1_AL3-scwrl # ReadConformPDB reading from PDB file servers/FORTE1_AL4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0329 can't currently be optimized by undertaker # naming current conformation FORTE1_AL4 # request to SCWRL produces command: ulimit -t 216 ; scwrl3 -i /var/tmp/to_scwrl_707614133.pdb -s /var/tmp/to_scwrl_707614133.seq -o /var/tmp/from_scwrl_707614133.pdb > /var/tmp/scwrl_707614133.log sh: /var/tmp/scwrl_707614133.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_707614133.pdb or /var/tmp/from_scwrl_707614133.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_707614133_b.pdb or decoys//var/tmp/from_scwrl_707614133_b.pdb.gz for input Trying /var/tmp/from_scwrl_707614133_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_707614133_b.pdb or /var/tmp/from_scwrl_707614133_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_707614133_a.pdb or decoys//var/tmp/from_scwrl_707614133_a.pdb.gz for input Trying /var/tmp/from_scwrl_707614133_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_707614133_a.pdb or /var/tmp/from_scwrl_707614133_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_707614133.pdb or /var/tmp/from_scwrl_707614133_b.pdb or /var/tmp/from_scwrl_707614133_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 T0329 can't currently be optimized by undertaker # naming current conformation FORTE1_AL5 # request to SCWRL produces command: ulimit -t 216 ; scwrl3 -i /var/tmp/to_scwrl_849216055.pdb -s /var/tmp/to_scwrl_849216055.seq -o /var/tmp/from_scwrl_849216055.pdb > /var/tmp/scwrl_849216055.log sh: /var/tmp/scwrl_849216055.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_849216055.pdb or /var/tmp/from_scwrl_849216055.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_849216055_b.pdb or decoys//var/tmp/from_scwrl_849216055_b.pdb.gz for input Trying /var/tmp/from_scwrl_849216055_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_849216055_b.pdb or /var/tmp/from_scwrl_849216055_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_849216055_a.pdb or decoys//var/tmp/from_scwrl_849216055_a.pdb.gz for input Trying /var/tmp/from_scwrl_849216055_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_849216055_a.pdb or /var/tmp/from_scwrl_849216055_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_849216055.pdb or /var/tmp/from_scwrl_849216055_b.pdb or /var/tmp/from_scwrl_849216055_a.pdb Error: no new SCWRL conformation added # naming current conformation FORTE1_AL5-scwrl # ReadConformPDB reading from PDB file servers/FORTE2_AL1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0329 can't currently be optimized by undertaker # naming current conformation FORTE2_AL1 # request to SCWRL produces command: ulimit -t 216 ; scwrl3 -i /var/tmp/to_scwrl_640884865.pdb -s /var/tmp/to_scwrl_640884865.seq -o /var/tmp/from_scwrl_640884865.pdb > /var/tmp/scwrl_640884865.log sh: /var/tmp/scwrl_640884865.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_640884865.pdb or /var/tmp/from_scwrl_640884865.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_640884865_b.pdb or decoys//var/tmp/from_scwrl_640884865_b.pdb.gz for input Trying /var/tmp/from_scwrl_640884865_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_640884865_b.pdb or /var/tmp/from_scwrl_640884865_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_640884865_a.pdb or decoys//var/tmp/from_scwrl_640884865_a.pdb.gz for input Trying /var/tmp/from_scwrl_640884865_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_640884865_a.pdb or /var/tmp/from_scwrl_640884865_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_640884865.pdb or /var/tmp/from_scwrl_640884865_b.pdb or /var/tmp/from_scwrl_640884865_a.pdb Error: no new SCWRL conformation added # naming current conformation FORTE2_AL1-scwrl # ReadConformPDB reading from PDB file servers/FORTE2_AL2.pdb.gz looking for model 1 Skipped atom 38, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL2.pdb.gz Skipped atom 40, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL2.pdb.gz Skipped atom 42, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL2.pdb.gz Skipped atom 44, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL2.pdb.gz Skipped atom 102, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL2.pdb.gz Skipped atom 104, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL2.pdb.gz Skipped atom 106, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL2.pdb.gz Skipped atom 108, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL2.pdb.gz Skipped atom 210, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL2.pdb.gz Skipped atom 212, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL2.pdb.gz Skipped atom 214, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL2.pdb.gz Skipped atom 216, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL2.pdb.gz Skipped atom 266, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL2.pdb.gz Skipped atom 268, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL2.pdb.gz Skipped atom 270, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL2.pdb.gz Skipped atom 272, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL2.pdb.gz Skipped atom 510, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL2.pdb.gz Skipped atom 512, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL2.pdb.gz Skipped atom 514, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL2.pdb.gz Skipped atom 516, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL2.pdb.gz # WARNING: incomplete conformation T0329 can't currently be optimized by undertaker # naming current conformation FORTE2_AL2 # request to SCWRL produces command: ulimit -t 216 ; scwrl3 -i /var/tmp/to_scwrl_1940220055.pdb -s /var/tmp/to_scwrl_1940220055.seq -o /var/tmp/from_scwrl_1940220055.pdb > /var/tmp/scwrl_1940220055.log sh: /var/tmp/scwrl_1940220055.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1940220055.pdb or /var/tmp/from_scwrl_1940220055.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1940220055_b.pdb or decoys//var/tmp/from_scwrl_1940220055_b.pdb.gz for input Trying /var/tmp/from_scwrl_1940220055_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1940220055_b.pdb or /var/tmp/from_scwrl_1940220055_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1940220055_a.pdb or decoys//var/tmp/from_scwrl_1940220055_a.pdb.gz for input Trying /var/tmp/from_scwrl_1940220055_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1940220055_a.pdb or /var/tmp/from_scwrl_1940220055_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1940220055.pdb or /var/tmp/from_scwrl_1940220055_b.pdb or /var/tmp/from_scwrl_1940220055_a.pdb Error: no new SCWRL conformation added # naming current conformation FORTE2_AL2-scwrl # ReadConformPDB reading from PDB file servers/FORTE2_AL3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0329 can't currently be optimized by undertaker # naming current conformation FORTE2_AL3 # request to SCWRL produces command: ulimit -t 216 ; scwrl3 -i /var/tmp/to_scwrl_429599947.pdb -s /var/tmp/to_scwrl_429599947.seq -o /var/tmp/from_scwrl_429599947.pdb > /var/tmp/scwrl_429599947.log sh: /var/tmp/scwrl_429599947.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_429599947.pdb or /var/tmp/from_scwrl_429599947.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_429599947_b.pdb or decoys//var/tmp/from_scwrl_429599947_b.pdb.gz for input Trying /var/tmp/from_scwrl_429599947_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_429599947_b.pdb or /var/tmp/from_scwrl_429599947_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_429599947_a.pdb or decoys//var/tmp/from_scwrl_429599947_a.pdb.gz for input Trying /var/tmp/from_scwrl_429599947_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_429599947_a.pdb or /var/tmp/from_scwrl_429599947_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_429599947.pdb or /var/tmp/from_scwrl_429599947_b.pdb or /var/tmp/from_scwrl_429599947_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 T0329 can't currently be optimized by undertaker # naming current conformation FORTE2_AL4 # request to SCWRL produces command: ulimit -t 216 ; scwrl3 -i /var/tmp/to_scwrl_1657278660.pdb -s /var/tmp/to_scwrl_1657278660.seq -o /var/tmp/from_scwrl_1657278660.pdb > /var/tmp/scwrl_1657278660.log sh: /var/tmp/scwrl_1657278660.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1657278660.pdb or /var/tmp/from_scwrl_1657278660.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1657278660_b.pdb or decoys//var/tmp/from_scwrl_1657278660_b.pdb.gz for input Trying /var/tmp/from_scwrl_1657278660_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1657278660_b.pdb or /var/tmp/from_scwrl_1657278660_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1657278660_a.pdb or decoys//var/tmp/from_scwrl_1657278660_a.pdb.gz for input Trying /var/tmp/from_scwrl_1657278660_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1657278660_a.pdb or /var/tmp/from_scwrl_1657278660_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1657278660.pdb or /var/tmp/from_scwrl_1657278660_b.pdb or /var/tmp/from_scwrl_1657278660_a.pdb Error: no new SCWRL conformation added # naming current conformation FORTE2_AL4-scwrl # ReadConformPDB reading from PDB file servers/FORTE2_AL5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0329 can't currently be optimized by undertaker # naming current conformation FORTE2_AL5 # request to SCWRL produces command: ulimit -t 216 ; scwrl3 -i /var/tmp/to_scwrl_1989468021.pdb -s /var/tmp/to_scwrl_1989468021.seq -o /var/tmp/from_scwrl_1989468021.pdb > /var/tmp/scwrl_1989468021.log sh: /var/tmp/scwrl_1989468021.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1989468021.pdb or /var/tmp/from_scwrl_1989468021.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1989468021_b.pdb or decoys//var/tmp/from_scwrl_1989468021_b.pdb.gz for input Trying /var/tmp/from_scwrl_1989468021_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1989468021_b.pdb or /var/tmp/from_scwrl_1989468021_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1989468021_a.pdb or decoys//var/tmp/from_scwrl_1989468021_a.pdb.gz for input Trying /var/tmp/from_scwrl_1989468021_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1989468021_a.pdb or /var/tmp/from_scwrl_1989468021_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1989468021.pdb or /var/tmp/from_scwrl_1989468021_b.pdb or /var/tmp/from_scwrl_1989468021_a.pdb Error: no new SCWRL conformation added # naming current conformation FORTE2_AL5-scwrl # ReadConformPDB reading from PDB file servers/FPSOLVER-SERVER_TS1.pdb.gz looking for model 1 # Found a chain break before 228 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS1 # request to SCWRL produces command: ulimit -t 216 ; scwrl3 -i /var/tmp/to_scwrl_1406672120.pdb -s /var/tmp/to_scwrl_1406672120.seq -o /var/tmp/from_scwrl_1406672120.pdb > /var/tmp/scwrl_1406672120.log sh: /var/tmp/scwrl_1406672120.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1406672120.pdb or /var/tmp/from_scwrl_1406672120.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1406672120_b.pdb or decoys//var/tmp/from_scwrl_1406672120_b.pdb.gz for input Trying /var/tmp/from_scwrl_1406672120_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1406672120_b.pdb or /var/tmp/from_scwrl_1406672120_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1406672120_a.pdb or decoys//var/tmp/from_scwrl_1406672120_a.pdb.gz for input Trying /var/tmp/from_scwrl_1406672120_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1406672120_a.pdb or /var/tmp/from_scwrl_1406672120_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1406672120.pdb or /var/tmp/from_scwrl_1406672120_b.pdb or /var/tmp/from_scwrl_1406672120_a.pdb Error: no new SCWRL conformation added # naming current conformation FPSOLVER-SERVER_TS1-scwrl # ReadConformPDB reading from PDB file servers/FPSOLVER-SERVER_TS2.pdb.gz looking for model 1 # Found a chain break before 221 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS2 # request to SCWRL produces command: ulimit -t 216 ; scwrl3 -i /var/tmp/to_scwrl_1111252660.pdb -s /var/tmp/to_scwrl_1111252660.seq -o /var/tmp/from_scwrl_1111252660.pdb > /var/tmp/scwrl_1111252660.log sh: /var/tmp/scwrl_1111252660.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1111252660.pdb or /var/tmp/from_scwrl_1111252660.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1111252660_b.pdb or decoys//var/tmp/from_scwrl_1111252660_b.pdb.gz for input Trying /var/tmp/from_scwrl_1111252660_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1111252660_b.pdb or /var/tmp/from_scwrl_1111252660_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1111252660_a.pdb or decoys//var/tmp/from_scwrl_1111252660_a.pdb.gz for input Trying /var/tmp/from_scwrl_1111252660_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1111252660_a.pdb or /var/tmp/from_scwrl_1111252660_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1111252660.pdb or /var/tmp/from_scwrl_1111252660_b.pdb or /var/tmp/from_scwrl_1111252660_a.pdb Error: no new SCWRL conformation added # naming current conformation FPSOLVER-SERVER_TS2-scwrl # ReadConformPDB reading from PDB file servers/FPSOLVER-SERVER_TS3.pdb.gz looking for model 1 # Found a chain break before 183 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS3 # request to SCWRL produces command: ulimit -t 216 ; scwrl3 -i /var/tmp/to_scwrl_1843284662.pdb -s /var/tmp/to_scwrl_1843284662.seq -o /var/tmp/from_scwrl_1843284662.pdb > /var/tmp/scwrl_1843284662.log sh: /var/tmp/scwrl_1843284662.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1843284662.pdb or /var/tmp/from_scwrl_1843284662.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1843284662_b.pdb or decoys//var/tmp/from_scwrl_1843284662_b.pdb.gz for input Trying /var/tmp/from_scwrl_1843284662_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1843284662_b.pdb or /var/tmp/from_scwrl_1843284662_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1843284662_a.pdb or decoys//var/tmp/from_scwrl_1843284662_a.pdb.gz for input Trying /var/tmp/from_scwrl_1843284662_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1843284662_a.pdb or /var/tmp/from_scwrl_1843284662_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1843284662.pdb or /var/tmp/from_scwrl_1843284662_b.pdb or /var/tmp/from_scwrl_1843284662_a.pdb Error: no new SCWRL conformation added # naming current conformation FPSOLVER-SERVER_TS3-scwrl # ReadConformPDB reading from PDB file servers/FPSOLVER-SERVER_TS4.pdb.gz looking for model 1 # Found a chain break before 238 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS4 # request to SCWRL produces command: ulimit -t 216 ; scwrl3 -i /var/tmp/to_scwrl_51565176.pdb -s /var/tmp/to_scwrl_51565176.seq -o /var/tmp/from_scwrl_51565176.pdb > /var/tmp/scwrl_51565176.log sh: /var/tmp/scwrl_51565176.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_51565176.pdb or /var/tmp/from_scwrl_51565176.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_51565176_b.pdb or decoys//var/tmp/from_scwrl_51565176_b.pdb.gz for input Trying /var/tmp/from_scwrl_51565176_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_51565176_b.pdb or /var/tmp/from_scwrl_51565176_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_51565176_a.pdb or decoys//var/tmp/from_scwrl_51565176_a.pdb.gz for input Trying /var/tmp/from_scwrl_51565176_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_51565176_a.pdb or /var/tmp/from_scwrl_51565176_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_51565176.pdb or /var/tmp/from_scwrl_51565176_b.pdb or /var/tmp/from_scwrl_51565176_a.pdb Error: no new SCWRL conformation added # naming current conformation FPSOLVER-SERVER_TS4-scwrl # ReadConformPDB reading from PDB file servers/FPSOLVER-SERVER_TS5.pdb.gz looking for model 1 # Found a chain break before 196 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS5 # request to SCWRL produces command: ulimit -t 216 ; scwrl3 -i /var/tmp/to_scwrl_1379041913.pdb -s /var/tmp/to_scwrl_1379041913.seq -o /var/tmp/from_scwrl_1379041913.pdb > /var/tmp/scwrl_1379041913.log sh: /var/tmp/scwrl_1379041913.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1379041913.pdb or /var/tmp/from_scwrl_1379041913.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1379041913_b.pdb or decoys//var/tmp/from_scwrl_1379041913_b.pdb.gz for input Trying /var/tmp/from_scwrl_1379041913_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1379041913_b.pdb or /var/tmp/from_scwrl_1379041913_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1379041913_a.pdb or decoys//var/tmp/from_scwrl_1379041913_a.pdb.gz for input Trying /var/tmp/from_scwrl_1379041913_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1379041913_a.pdb or /var/tmp/from_scwrl_1379041913_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1379041913.pdb or /var/tmp/from_scwrl_1379041913_b.pdb or /var/tmp/from_scwrl_1379041913_a.pdb Error: no new SCWRL conformation added # naming current conformation FPSOLVER-SERVER_TS5-scwrl # ReadConformPDB reading from PDB file servers/FUGMOD_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0329 can't currently be optimized by undertaker # naming current conformation FUGMOD_TS1 # request to SCWRL produces command: ulimit -t 216 ; scwrl3 -i /var/tmp/to_scwrl_2055038969.pdb -s /var/tmp/to_scwrl_2055038969.seq -o /var/tmp/from_scwrl_2055038969.pdb > /var/tmp/scwrl_2055038969.log sh: /var/tmp/scwrl_2055038969.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_2055038969.pdb or /var/tmp/from_scwrl_2055038969.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2055038969_b.pdb or decoys//var/tmp/from_scwrl_2055038969_b.pdb.gz for input Trying /var/tmp/from_scwrl_2055038969_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_2055038969_b.pdb or /var/tmp/from_scwrl_2055038969_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2055038969_a.pdb or decoys//var/tmp/from_scwrl_2055038969_a.pdb.gz for input Trying /var/tmp/from_scwrl_2055038969_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_2055038969_a.pdb or /var/tmp/from_scwrl_2055038969_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_2055038969.pdb or /var/tmp/from_scwrl_2055038969_b.pdb or /var/tmp/from_scwrl_2055038969_a.pdb Error: no new SCWRL conformation added # naming current conformation FUGMOD_TS1-scwrl # ReadConformPDB reading from PDB file servers/FUGMOD_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0329 can't currently be optimized by undertaker # naming current conformation FUGMOD_TS2 # request to SCWRL produces command: ulimit -t 216 ; scwrl3 -i /var/tmp/to_scwrl_1112877049.pdb -s /var/tmp/to_scwrl_1112877049.seq -o /var/tmp/from_scwrl_1112877049.pdb > /var/tmp/scwrl_1112877049.log sh: /var/tmp/scwrl_1112877049.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1112877049.pdb or /var/tmp/from_scwrl_1112877049.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1112877049_b.pdb or decoys//var/tmp/from_scwrl_1112877049_b.pdb.gz for input Trying /var/tmp/from_scwrl_1112877049_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1112877049_b.pdb or /var/tmp/from_scwrl_1112877049_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1112877049_a.pdb or decoys//var/tmp/from_scwrl_1112877049_a.pdb.gz for input Trying /var/tmp/from_scwrl_1112877049_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1112877049_a.pdb or /var/tmp/from_scwrl_1112877049_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1112877049.pdb or /var/tmp/from_scwrl_1112877049_b.pdb or /var/tmp/from_scwrl_1112877049_a.pdb Error: no new SCWRL conformation added # naming current conformation FUGMOD_TS2-scwrl # ReadConformPDB reading from PDB file servers/FUGMOD_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0329 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FUGMOD_TS3 # request to SCWRL produces command: ulimit -t 216 ; scwrl3 -i /var/tmp/to_scwrl_315124169.pdb -s /var/tmp/to_scwrl_315124169.seq -o /var/tmp/from_scwrl_315124169.pdb > /var/tmp/scwrl_315124169.log sh: /var/tmp/scwrl_315124169.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_315124169.pdb or /var/tmp/from_scwrl_315124169.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_315124169_b.pdb or decoys//var/tmp/from_scwrl_315124169_b.pdb.gz for input Trying /var/tmp/from_scwrl_315124169_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_315124169_b.pdb or /var/tmp/from_scwrl_315124169_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_315124169_a.pdb or decoys//var/tmp/from_scwrl_315124169_a.pdb.gz for input Trying /var/tmp/from_scwrl_315124169_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_315124169_a.pdb or /var/tmp/from_scwrl_315124169_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_315124169.pdb or /var/tmp/from_scwrl_315124169_b.pdb or /var/tmp/from_scwrl_315124169_a.pdb Error: no new SCWRL conformation added # naming current conformation FUGMOD_TS3-scwrl # ReadConformPDB reading from PDB file servers/FUGMOD_TS4.pdb.gz looking for model 1 # Found a chain break before 230 # copying to AlignedFragments data structure # naming current conformation FUGMOD_TS4 # request to SCWRL produces command: ulimit -t 216 ; scwrl3 -i /var/tmp/to_scwrl_1039290521.pdb -s /var/tmp/to_scwrl_1039290521.seq -o /var/tmp/from_scwrl_1039290521.pdb > /var/tmp/scwrl_1039290521.log sh: /var/tmp/scwrl_1039290521.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1039290521.pdb or /var/tmp/from_scwrl_1039290521.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1039290521_b.pdb or decoys//var/tmp/from_scwrl_1039290521_b.pdb.gz for input Trying /var/tmp/from_scwrl_1039290521_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1039290521_b.pdb or /var/tmp/from_scwrl_1039290521_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1039290521_a.pdb or decoys//var/tmp/from_scwrl_1039290521_a.pdb.gz for input Trying /var/tmp/from_scwrl_1039290521_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1039290521_a.pdb or /var/tmp/from_scwrl_1039290521_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1039290521.pdb or /var/tmp/from_scwrl_1039290521_b.pdb or /var/tmp/from_scwrl_1039290521_a.pdb Error: no new SCWRL conformation added # naming current conformation FUGMOD_TS4-scwrl # ReadConformPDB reading from PDB file servers/FUGMOD_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0329 can't currently be optimized by undertaker # naming current conformation FUGMOD_TS5 # request to SCWRL produces command: ulimit -t 216 ; scwrl3 -i /var/tmp/to_scwrl_765454410.pdb -s /var/tmp/to_scwrl_765454410.seq -o /var/tmp/from_scwrl_765454410.pdb > /var/tmp/scwrl_765454410.log sh: /var/tmp/scwrl_765454410.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_765454410.pdb or /var/tmp/from_scwrl_765454410.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_765454410_b.pdb or decoys//var/tmp/from_scwrl_765454410_b.pdb.gz for input Trying /var/tmp/from_scwrl_765454410_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_765454410_b.pdb or /var/tmp/from_scwrl_765454410_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_765454410_a.pdb or decoys//var/tmp/from_scwrl_765454410_a.pdb.gz for input Trying /var/tmp/from_scwrl_765454410_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_765454410_a.pdb or /var/tmp/from_scwrl_765454410_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_765454410.pdb or /var/tmp/from_scwrl_765454410_b.pdb or /var/tmp/from_scwrl_765454410_a.pdb Error: no new SCWRL conformation added # naming current conformation FUGMOD_TS5-scwrl # ReadConformPDB reading from PDB file servers/FUGUE_AL1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0329 can't currently be optimized by undertaker # naming current conformation FUGUE_AL1 # request to SCWRL produces command: ulimit -t 216 ; scwrl3 -i /var/tmp/to_scwrl_1395092004.pdb -s /var/tmp/to_scwrl_1395092004.seq -o /var/tmp/from_scwrl_1395092004.pdb > /var/tmp/scwrl_1395092004.log sh: /var/tmp/scwrl_1395092004.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1395092004.pdb or /var/tmp/from_scwrl_1395092004.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1395092004_b.pdb or decoys//var/tmp/from_scwrl_1395092004_b.pdb.gz for input Trying /var/tmp/from_scwrl_1395092004_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1395092004_b.pdb or /var/tmp/from_scwrl_1395092004_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1395092004_a.pdb or decoys//var/tmp/from_scwrl_1395092004_a.pdb.gz for input Trying /var/tmp/from_scwrl_1395092004_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1395092004_a.pdb or /var/tmp/from_scwrl_1395092004_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1395092004.pdb or /var/tmp/from_scwrl_1395092004_b.pdb or /var/tmp/from_scwrl_1395092004_a.pdb Error: no new SCWRL conformation added # naming current conformation FUGUE_AL1-scwrl # ReadConformPDB reading from PDB file servers/FUGUE_AL2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0329 can't currently be optimized by undertaker # naming current conformation FUGUE_AL2 # request to SCWRL produces command: ulimit -t 216 ; scwrl3 -i /var/tmp/to_scwrl_2026623905.pdb -s /var/tmp/to_scwrl_2026623905.seq -o /var/tmp/from_scwrl_2026623905.pdb > /var/tmp/scwrl_2026623905.log sh: /var/tmp/scwrl_2026623905.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_2026623905.pdb or /var/tmp/from_scwrl_2026623905.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2026623905_b.pdb or decoys//var/tmp/from_scwrl_2026623905_b.pdb.gz for input Trying /var/tmp/from_scwrl_2026623905_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_2026623905_b.pdb or /var/tmp/from_scwrl_2026623905_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2026623905_a.pdb or decoys//var/tmp/from_scwrl_2026623905_a.pdb.gz for input Trying /var/tmp/from_scwrl_2026623905_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_2026623905_a.pdb or /var/tmp/from_scwrl_2026623905_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_2026623905.pdb or /var/tmp/from_scwrl_2026623905_b.pdb or /var/tmp/from_scwrl_2026623905_a.pdb Error: no new SCWRL conformation added # naming current conformation FUGUE_AL2-scwrl # ReadConformPDB reading from PDB file servers/FUGUE_AL3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0329 can't currently be optimized by undertaker # naming current conformation FUGUE_AL3 # request to SCWRL produces command: ulimit -t 216 ; scwrl3 -i /var/tmp/to_scwrl_1420952567.pdb -s /var/tmp/to_scwrl_1420952567.seq -o /var/tmp/from_scwrl_1420952567.pdb > /var/tmp/scwrl_1420952567.log sh: /var/tmp/scwrl_1420952567.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1420952567.pdb or /var/tmp/from_scwrl_1420952567.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1420952567_b.pdb or decoys//var/tmp/from_scwrl_1420952567_b.pdb.gz for input Trying /var/tmp/from_scwrl_1420952567_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1420952567_b.pdb or /var/tmp/from_scwrl_1420952567_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1420952567_a.pdb or decoys//var/tmp/from_scwrl_1420952567_a.pdb.gz for input Trying /var/tmp/from_scwrl_1420952567_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1420952567_a.pdb or /var/tmp/from_scwrl_1420952567_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1420952567.pdb or /var/tmp/from_scwrl_1420952567_b.pdb or /var/tmp/from_scwrl_1420952567_a.pdb Error: no new SCWRL conformation added # naming current conformation FUGUE_AL3-scwrl # ReadConformPDB reading from PDB file servers/FUGUE_AL4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0329 can't currently be optimized by undertaker # naming current conformation FUGUE_AL4 # request to SCWRL produces command: ulimit -t 216 ; scwrl3 -i /var/tmp/to_scwrl_1221835003.pdb -s /var/tmp/to_scwrl_1221835003.seq -o /var/tmp/from_scwrl_1221835003.pdb > /var/tmp/scwrl_1221835003.log sh: /var/tmp/scwrl_1221835003.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1221835003.pdb or /var/tmp/from_scwrl_1221835003.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1221835003_b.pdb or decoys//var/tmp/from_scwrl_1221835003_b.pdb.gz for input Trying /var/tmp/from_scwrl_1221835003_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1221835003_b.pdb or /var/tmp/from_scwrl_1221835003_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1221835003_a.pdb or decoys//var/tmp/from_scwrl_1221835003_a.pdb.gz for input Trying /var/tmp/from_scwrl_1221835003_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1221835003_a.pdb or /var/tmp/from_scwrl_1221835003_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1221835003.pdb or /var/tmp/from_scwrl_1221835003_b.pdb or /var/tmp/from_scwrl_1221835003_a.pdb Error: no new SCWRL conformation added # naming current conformation FUGUE_AL4-scwrl # ReadConformPDB reading from PDB file servers/FUNCTION_TS1.pdb.gz looking for model 1 # Found a chain break before 238 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS1 # request to SCWRL produces command: ulimit -t 216 ; scwrl3 -i /var/tmp/to_scwrl_1175229172.pdb -s /var/tmp/to_scwrl_1175229172.seq -o /var/tmp/from_scwrl_1175229172.pdb > /var/tmp/scwrl_1175229172.log sh: /var/tmp/scwrl_1175229172.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1175229172.pdb or /var/tmp/from_scwrl_1175229172.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1175229172_b.pdb or decoys//var/tmp/from_scwrl_1175229172_b.pdb.gz for input Trying /var/tmp/from_scwrl_1175229172_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1175229172_b.pdb or /var/tmp/from_scwrl_1175229172_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1175229172_a.pdb or decoys//var/tmp/from_scwrl_1175229172_a.pdb.gz for input Trying /var/tmp/from_scwrl_1175229172_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1175229172_a.pdb or /var/tmp/from_scwrl_1175229172_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1175229172.pdb or /var/tmp/from_scwrl_1175229172_b.pdb or /var/tmp/from_scwrl_1175229172_a.pdb Error: no new SCWRL conformation added # 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 238 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS2 # request to SCWRL produces command: ulimit -t 216 ; scwrl3 -i /var/tmp/to_scwrl_1303361847.pdb -s /var/tmp/to_scwrl_1303361847.seq -o /var/tmp/from_scwrl_1303361847.pdb > /var/tmp/scwrl_1303361847.log sh: /var/tmp/scwrl_1303361847.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1303361847.pdb or /var/tmp/from_scwrl_1303361847.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1303361847_b.pdb or decoys//var/tmp/from_scwrl_1303361847_b.pdb.gz for input Trying /var/tmp/from_scwrl_1303361847_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1303361847_b.pdb or /var/tmp/from_scwrl_1303361847_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1303361847_a.pdb or decoys//var/tmp/from_scwrl_1303361847_a.pdb.gz for input Trying /var/tmp/from_scwrl_1303361847_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1303361847_a.pdb or /var/tmp/from_scwrl_1303361847_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1303361847.pdb or /var/tmp/from_scwrl_1303361847_b.pdb or /var/tmp/from_scwrl_1303361847_a.pdb Error: no new SCWRL conformation added # 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 238 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS3 # request to SCWRL produces command: ulimit -t 216 ; scwrl3 -i /var/tmp/to_scwrl_898807516.pdb -s /var/tmp/to_scwrl_898807516.seq -o /var/tmp/from_scwrl_898807516.pdb > /var/tmp/scwrl_898807516.log sh: /var/tmp/scwrl_898807516.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_898807516.pdb or /var/tmp/from_scwrl_898807516.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_898807516_b.pdb or decoys//var/tmp/from_scwrl_898807516_b.pdb.gz for input Trying /var/tmp/from_scwrl_898807516_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_898807516_b.pdb or /var/tmp/from_scwrl_898807516_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_898807516_a.pdb or decoys//var/tmp/from_scwrl_898807516_a.pdb.gz for input Trying /var/tmp/from_scwrl_898807516_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_898807516_a.pdb or /var/tmp/from_scwrl_898807516_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_898807516.pdb or /var/tmp/from_scwrl_898807516_b.pdb or /var/tmp/from_scwrl_898807516_a.pdb Error: no new SCWRL conformation added # 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 238 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS4 # request to SCWRL produces command: ulimit -t 216 ; scwrl3 -i /var/tmp/to_scwrl_406005448.pdb -s /var/tmp/to_scwrl_406005448.seq -o /var/tmp/from_scwrl_406005448.pdb > /var/tmp/scwrl_406005448.log sh: /var/tmp/scwrl_406005448.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_406005448.pdb or /var/tmp/from_scwrl_406005448.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_406005448_b.pdb or decoys//var/tmp/from_scwrl_406005448_b.pdb.gz for input Trying /var/tmp/from_scwrl_406005448_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_406005448_b.pdb or /var/tmp/from_scwrl_406005448_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_406005448_a.pdb or decoys//var/tmp/from_scwrl_406005448_a.pdb.gz for input Trying /var/tmp/from_scwrl_406005448_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_406005448_a.pdb or /var/tmp/from_scwrl_406005448_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_406005448.pdb or /var/tmp/from_scwrl_406005448_b.pdb or /var/tmp/from_scwrl_406005448_a.pdb Error: no new SCWRL conformation added # 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 230 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS5 # request to SCWRL produces command: ulimit -t 216 ; scwrl3 -i /var/tmp/to_scwrl_1487561996.pdb -s /var/tmp/to_scwrl_1487561996.seq -o /var/tmp/from_scwrl_1487561996.pdb > /var/tmp/scwrl_1487561996.log sh: /var/tmp/scwrl_1487561996.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1487561996.pdb or /var/tmp/from_scwrl_1487561996.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1487561996_b.pdb or decoys//var/tmp/from_scwrl_1487561996_b.pdb.gz for input Trying /var/tmp/from_scwrl_1487561996_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1487561996_b.pdb or /var/tmp/from_scwrl_1487561996_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1487561996_a.pdb or decoys//var/tmp/from_scwrl_1487561996_a.pdb.gz for input Trying /var/tmp/from_scwrl_1487561996_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1487561996_a.pdb or /var/tmp/from_scwrl_1487561996_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1487561996.pdb or /var/tmp/from_scwrl_1487561996_b.pdb or /var/tmp/from_scwrl_1487561996_a.pdb Error: no new SCWRL conformation added # naming current conformation FUNCTION_TS5-scwrl # ReadConformPDB reading from PDB file servers/Frankenstein_TS1.pdb.gz looking for model 1 # Found a chain break before 166 # copying to AlignedFragments data structure # naming current conformation Frankenstein_TS1 # request to SCWRL produces command: ulimit -t 216 ; scwrl3 -i /var/tmp/to_scwrl_1028149659.pdb -s /var/tmp/to_scwrl_1028149659.seq -o /var/tmp/from_scwrl_1028149659.pdb > /var/tmp/scwrl_1028149659.log sh: /var/tmp/scwrl_1028149659.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1028149659.pdb or /var/tmp/from_scwrl_1028149659.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1028149659_b.pdb or decoys//var/tmp/from_scwrl_1028149659_b.pdb.gz for input Trying /var/tmp/from_scwrl_1028149659_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1028149659_b.pdb or /var/tmp/from_scwrl_1028149659_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1028149659_a.pdb or decoys//var/tmp/from_scwrl_1028149659_a.pdb.gz for input Trying /var/tmp/from_scwrl_1028149659_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1028149659_a.pdb or /var/tmp/from_scwrl_1028149659_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1028149659.pdb or /var/tmp/from_scwrl_1028149659_b.pdb or /var/tmp/from_scwrl_1028149659_a.pdb Error: no new SCWRL conformation added # naming current conformation Frankenstein_TS1-scwrl # ReadConformPDB reading from PDB file servers/Frankenstein_TS2.pdb.gz looking for model 1 # Found a chain break before 151 # copying to AlignedFragments data structure # naming current conformation Frankenstein_TS2 # request to SCWRL produces command: ulimit -t 216 ; scwrl3 -i /var/tmp/to_scwrl_353232574.pdb -s /var/tmp/to_scwrl_353232574.seq -o /var/tmp/from_scwrl_353232574.pdb > /var/tmp/scwrl_353232574.log sh: /var/tmp/scwrl_353232574.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_353232574.pdb or /var/tmp/from_scwrl_353232574.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_353232574_b.pdb or decoys//var/tmp/from_scwrl_353232574_b.pdb.gz for input Trying /var/tmp/from_scwrl_353232574_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_353232574_b.pdb or /var/tmp/from_scwrl_353232574_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_353232574_a.pdb or decoys//var/tmp/from_scwrl_353232574_a.pdb.gz for input Trying /var/tmp/from_scwrl_353232574_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_353232574_a.pdb or /var/tmp/from_scwrl_353232574_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_353232574.pdb or /var/tmp/from_scwrl_353232574_b.pdb or /var/tmp/from_scwrl_353232574_a.pdb Error: no new SCWRL conformation added # naming current conformation Frankenstein_TS2-scwrl # ReadConformPDB reading from PDB file servers/Frankenstein_TS3.pdb.gz looking for model 1 # Found a chain break before 219 # copying to AlignedFragments data structure # naming current conformation Frankenstein_TS3 # request to SCWRL produces command: ulimit -t 216 ; scwrl3 -i /var/tmp/to_scwrl_1220044207.pdb -s /var/tmp/to_scwrl_1220044207.seq -o /var/tmp/from_scwrl_1220044207.pdb > /var/tmp/scwrl_1220044207.log sh: /var/tmp/scwrl_1220044207.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1220044207.pdb or /var/tmp/from_scwrl_1220044207.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1220044207_b.pdb or decoys//var/tmp/from_scwrl_1220044207_b.pdb.gz for input Trying /var/tmp/from_scwrl_1220044207_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1220044207_b.pdb or /var/tmp/from_scwrl_1220044207_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1220044207_a.pdb or decoys//var/tmp/from_scwrl_1220044207_a.pdb.gz for input Trying /var/tmp/from_scwrl_1220044207_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1220044207_a.pdb or /var/tmp/from_scwrl_1220044207_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1220044207.pdb or /var/tmp/from_scwrl_1220044207_b.pdb or /var/tmp/from_scwrl_1220044207_a.pdb Error: no new SCWRL conformation added # naming current conformation Frankenstein_TS3-scwrl # ReadConformPDB reading from PDB file servers/Frankenstein_TS4.pdb.gz looking for model 1 # Found a chain break before 219 # copying to AlignedFragments data structure # naming current conformation Frankenstein_TS4 # request to SCWRL produces command: ulimit -t 216 ; scwrl3 -i /var/tmp/to_scwrl_2002845939.pdb -s /var/tmp/to_scwrl_2002845939.seq -o /var/tmp/from_scwrl_2002845939.pdb > /var/tmp/scwrl_2002845939.log sh: /var/tmp/scwrl_2002845939.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_2002845939.pdb or /var/tmp/from_scwrl_2002845939.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2002845939_b.pdb or decoys//var/tmp/from_scwrl_2002845939_b.pdb.gz for input Trying /var/tmp/from_scwrl_2002845939_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_2002845939_b.pdb or /var/tmp/from_scwrl_2002845939_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2002845939_a.pdb or decoys//var/tmp/from_scwrl_2002845939_a.pdb.gz for input Trying /var/tmp/from_scwrl_2002845939_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_2002845939_a.pdb or /var/tmp/from_scwrl_2002845939_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_2002845939.pdb or /var/tmp/from_scwrl_2002845939_b.pdb or /var/tmp/from_scwrl_2002845939_a.pdb Error: no new SCWRL conformation added # naming current conformation Frankenstein_TS4-scwrl # ReadConformPDB reading from PDB file servers/Frankenstein_TS5.pdb.gz looking for model 1 # Found a chain break before 216 # copying to AlignedFragments data structure # naming current conformation Frankenstein_TS5 # request to SCWRL produces command: ulimit -t 216 ; scwrl3 -i /var/tmp/to_scwrl_1629823436.pdb -s /var/tmp/to_scwrl_1629823436.seq -o /var/tmp/from_scwrl_1629823436.pdb > /var/tmp/scwrl_1629823436.log sh: /var/tmp/scwrl_1629823436.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1629823436.pdb or /var/tmp/from_scwrl_1629823436.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1629823436_b.pdb or decoys//var/tmp/from_scwrl_1629823436_b.pdb.gz for input Trying /var/tmp/from_scwrl_1629823436_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1629823436_b.pdb or /var/tmp/from_scwrl_1629823436_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1629823436_a.pdb or decoys//var/tmp/from_scwrl_1629823436_a.pdb.gz for input Trying /var/tmp/from_scwrl_1629823436_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1629823436_a.pdb or /var/tmp/from_scwrl_1629823436_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1629823436.pdb or /var/tmp/from_scwrl_1629823436_b.pdb or /var/tmp/from_scwrl_1629823436_a.pdb Error: no new SCWRL conformation added # naming current conformation Frankenstein_TS5-scwrl # ReadConformPDB reading from PDB file servers/GeneSilicoMetaServer_TS1.pdb.gz looking for model 1 # Found a chain break before 163 # copying to AlignedFragments data structure # naming current conformation GeneSilicoMetaServer_TS1 # request to SCWRL produces command: ulimit -t 216 ; scwrl3 -i /var/tmp/to_scwrl_1927658340.pdb -s /var/tmp/to_scwrl_1927658340.seq -o /var/tmp/from_scwrl_1927658340.pdb > /var/tmp/scwrl_1927658340.log sh: /var/tmp/scwrl_1927658340.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1927658340.pdb or /var/tmp/from_scwrl_1927658340.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1927658340_b.pdb or decoys//var/tmp/from_scwrl_1927658340_b.pdb.gz for input Trying /var/tmp/from_scwrl_1927658340_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1927658340_b.pdb or /var/tmp/from_scwrl_1927658340_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1927658340_a.pdb or decoys//var/tmp/from_scwrl_1927658340_a.pdb.gz for input Trying /var/tmp/from_scwrl_1927658340_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1927658340_a.pdb or /var/tmp/from_scwrl_1927658340_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1927658340.pdb or /var/tmp/from_scwrl_1927658340_b.pdb or /var/tmp/from_scwrl_1927658340_a.pdb Error: no new SCWRL conformation added # naming current conformation GeneSilicoMetaServer_TS1-scwrl # ReadConformPDB reading from PDB file servers/GeneSilicoMetaServer_TS2.pdb.gz looking for model 1 # Found a chain break before 152 # copying to AlignedFragments data structure # naming current conformation GeneSilicoMetaServer_TS2 # request to SCWRL produces command: ulimit -t 216 ; scwrl3 -i /var/tmp/to_scwrl_704578347.pdb -s /var/tmp/to_scwrl_704578347.seq -o /var/tmp/from_scwrl_704578347.pdb > /var/tmp/scwrl_704578347.log sh: /var/tmp/scwrl_704578347.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_704578347.pdb or /var/tmp/from_scwrl_704578347.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_704578347_b.pdb or decoys//var/tmp/from_scwrl_704578347_b.pdb.gz for input Trying /var/tmp/from_scwrl_704578347_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_704578347_b.pdb or /var/tmp/from_scwrl_704578347_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_704578347_a.pdb or decoys//var/tmp/from_scwrl_704578347_a.pdb.gz for input Trying /var/tmp/from_scwrl_704578347_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_704578347_a.pdb or /var/tmp/from_scwrl_704578347_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_704578347.pdb or /var/tmp/from_scwrl_704578347_b.pdb or /var/tmp/from_scwrl_704578347_a.pdb Error: no new SCWRL conformation added # naming current conformation GeneSilicoMetaServer_TS2-scwrl # ReadConformPDB reading from PDB file servers/GeneSilicoMetaServer_TS3.pdb.gz looking for model 1 # Found a chain break before 236 # copying to AlignedFragments data structure # naming current conformation GeneSilicoMetaServer_TS3 # request to SCWRL produces command: ulimit -t 216 ; scwrl3 -i /var/tmp/to_scwrl_123224654.pdb -s /var/tmp/to_scwrl_123224654.seq -o /var/tmp/from_scwrl_123224654.pdb > /var/tmp/scwrl_123224654.log sh: /var/tmp/scwrl_123224654.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_123224654.pdb or /var/tmp/from_scwrl_123224654.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_123224654_b.pdb or decoys//var/tmp/from_scwrl_123224654_b.pdb.gz for input Trying /var/tmp/from_scwrl_123224654_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_123224654_b.pdb or /var/tmp/from_scwrl_123224654_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_123224654_a.pdb or decoys//var/tmp/from_scwrl_123224654_a.pdb.gz for input Trying /var/tmp/from_scwrl_123224654_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_123224654_a.pdb or /var/tmp/from_scwrl_123224654_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_123224654.pdb or /var/tmp/from_scwrl_123224654_b.pdb or /var/tmp/from_scwrl_123224654_a.pdb Error: no new SCWRL conformation added # naming current conformation GeneSilicoMetaServer_TS3-scwrl # ReadConformPDB reading from PDB file servers/GeneSilicoMetaServer_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0329 can't currently be optimized by undertaker # naming current conformation GeneSilicoMetaServer_TS4 # request to SCWRL produces command: ulimit -t 216 ; scwrl3 -i /var/tmp/to_scwrl_1720394748.pdb -s /var/tmp/to_scwrl_1720394748.seq -o /var/tmp/from_scwrl_1720394748.pdb > /var/tmp/scwrl_1720394748.log sh: /var/tmp/scwrl_1720394748.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1720394748.pdb or /var/tmp/from_scwrl_1720394748.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1720394748_b.pdb or decoys//var/tmp/from_scwrl_1720394748_b.pdb.gz for input Trying /var/tmp/from_scwrl_1720394748_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1720394748_b.pdb or /var/tmp/from_scwrl_1720394748_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1720394748_a.pdb or decoys//var/tmp/from_scwrl_1720394748_a.pdb.gz for input Trying /var/tmp/from_scwrl_1720394748_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1720394748_a.pdb or /var/tmp/from_scwrl_1720394748_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1720394748.pdb or /var/tmp/from_scwrl_1720394748_b.pdb or /var/tmp/from_scwrl_1720394748_a.pdb Error: no new SCWRL conformation added # naming current conformation GeneSilicoMetaServer_TS4-scwrl # ReadConformPDB reading from PDB file servers/GeneSilicoMetaServer_TS5.pdb.gz looking for model 1 # Found a chain break before 157 # copying to AlignedFragments data structure # naming current conformation GeneSilicoMetaServer_TS5 # request to SCWRL produces command: ulimit -t 216 ; scwrl3 -i /var/tmp/to_scwrl_1134178293.pdb -s /var/tmp/to_scwrl_1134178293.seq -o /var/tmp/from_scwrl_1134178293.pdb > /var/tmp/scwrl_1134178293.log sh: /var/tmp/scwrl_1134178293.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1134178293.pdb or /var/tmp/from_scwrl_1134178293.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1134178293_b.pdb or decoys//var/tmp/from_scwrl_1134178293_b.pdb.gz for input Trying /var/tmp/from_scwrl_1134178293_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1134178293_b.pdb or /var/tmp/from_scwrl_1134178293_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1134178293_a.pdb or decoys//var/tmp/from_scwrl_1134178293_a.pdb.gz for input Trying /var/tmp/from_scwrl_1134178293_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1134178293_a.pdb or /var/tmp/from_scwrl_1134178293_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1134178293.pdb or /var/tmp/from_scwrl_1134178293_b.pdb or /var/tmp/from_scwrl_1134178293_a.pdb Error: no new SCWRL conformation added # naming current conformation GeneSilicoMetaServer_TS5-scwrl # ReadConformPDB reading from PDB file servers/HHpred1_TS1.pdb.gz looking for model 1 # Found a chain break before 212 # copying to AlignedFragments data structure # naming current conformation HHpred1_TS1 # request to SCWRL produces command: ulimit -t 216 ; scwrl3 -i /var/tmp/to_scwrl_1780503315.pdb -s /var/tmp/to_scwrl_1780503315.seq -o /var/tmp/from_scwrl_1780503315.pdb > /var/tmp/scwrl_1780503315.log sh: /var/tmp/scwrl_1780503315.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1780503315.pdb or /var/tmp/from_scwrl_1780503315.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1780503315_b.pdb or decoys//var/tmp/from_scwrl_1780503315_b.pdb.gz for input Trying /var/tmp/from_scwrl_1780503315_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1780503315_b.pdb or /var/tmp/from_scwrl_1780503315_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1780503315_a.pdb or decoys//var/tmp/from_scwrl_1780503315_a.pdb.gz for input Trying /var/tmp/from_scwrl_1780503315_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1780503315_a.pdb or /var/tmp/from_scwrl_1780503315_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1780503315.pdb or /var/tmp/from_scwrl_1780503315_b.pdb or /var/tmp/from_scwrl_1780503315_a.pdb Error: no new SCWRL conformation added # 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 210 # copying to AlignedFragments data structure # naming current conformation HHpred2_TS1 # request to SCWRL produces command: ulimit -t 216 ; scwrl3 -i /var/tmp/to_scwrl_1562379123.pdb -s /var/tmp/to_scwrl_1562379123.seq -o /var/tmp/from_scwrl_1562379123.pdb > /var/tmp/scwrl_1562379123.log sh: /var/tmp/scwrl_1562379123.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1562379123.pdb or /var/tmp/from_scwrl_1562379123.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1562379123_b.pdb or decoys//var/tmp/from_scwrl_1562379123_b.pdb.gz for input Trying /var/tmp/from_scwrl_1562379123_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1562379123_b.pdb or /var/tmp/from_scwrl_1562379123_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1562379123_a.pdb or decoys//var/tmp/from_scwrl_1562379123_a.pdb.gz for input Trying /var/tmp/from_scwrl_1562379123_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1562379123_a.pdb or /var/tmp/from_scwrl_1562379123_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1562379123.pdb or /var/tmp/from_scwrl_1562379123_b.pdb or /var/tmp/from_scwrl_1562379123_a.pdb Error: no new SCWRL conformation added # naming current conformation HHpred2_TS1-scwrl # ReadConformPDB reading from PDB file servers/HHpred3_TS1.pdb.gz looking for model 1 # Found a chain break before 33 # copying to AlignedFragments data structure # naming current conformation HHpred3_TS1 # request to SCWRL produces command: ulimit -t 216 ; scwrl3 -i /var/tmp/to_scwrl_393366768.pdb -s /var/tmp/to_scwrl_393366768.seq -o /var/tmp/from_scwrl_393366768.pdb > /var/tmp/scwrl_393366768.log sh: /var/tmp/scwrl_393366768.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_393366768.pdb or /var/tmp/from_scwrl_393366768.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_393366768_b.pdb or decoys//var/tmp/from_scwrl_393366768_b.pdb.gz for input Trying /var/tmp/from_scwrl_393366768_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_393366768_b.pdb or /var/tmp/from_scwrl_393366768_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_393366768_a.pdb or decoys//var/tmp/from_scwrl_393366768_a.pdb.gz for input Trying /var/tmp/from_scwrl_393366768_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_393366768_a.pdb or /var/tmp/from_scwrl_393366768_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_393366768.pdb or /var/tmp/from_scwrl_393366768_b.pdb or /var/tmp/from_scwrl_393366768_a.pdb Error: no new SCWRL conformation added # 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 T0329 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS1 # request to SCWRL produces command: ulimit -t 216 ; scwrl3 -i /var/tmp/to_scwrl_744272329.pdb -s /var/tmp/to_scwrl_744272329.seq -o /var/tmp/from_scwrl_744272329.pdb > /var/tmp/scwrl_744272329.log sh: /var/tmp/scwrl_744272329.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_744272329.pdb or /var/tmp/from_scwrl_744272329.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_744272329_b.pdb or decoys//var/tmp/from_scwrl_744272329_b.pdb.gz for input Trying /var/tmp/from_scwrl_744272329_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_744272329_b.pdb or /var/tmp/from_scwrl_744272329_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_744272329_a.pdb or decoys//var/tmp/from_scwrl_744272329_a.pdb.gz for input Trying /var/tmp/from_scwrl_744272329_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_744272329_a.pdb or /var/tmp/from_scwrl_744272329_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_744272329.pdb or /var/tmp/from_scwrl_744272329_b.pdb or /var/tmp/from_scwrl_744272329_a.pdb Error: no new SCWRL conformation added # 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 T0329 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS2 # request to SCWRL produces command: ulimit -t 216 ; scwrl3 -i /var/tmp/to_scwrl_1258180138.pdb -s /var/tmp/to_scwrl_1258180138.seq -o /var/tmp/from_scwrl_1258180138.pdb > /var/tmp/scwrl_1258180138.log sh: /var/tmp/scwrl_1258180138.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1258180138.pdb or /var/tmp/from_scwrl_1258180138.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1258180138_b.pdb or decoys//var/tmp/from_scwrl_1258180138_b.pdb.gz for input Trying /var/tmp/from_scwrl_1258180138_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1258180138_b.pdb or /var/tmp/from_scwrl_1258180138_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1258180138_a.pdb or decoys//var/tmp/from_scwrl_1258180138_a.pdb.gz for input Trying /var/tmp/from_scwrl_1258180138_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1258180138_a.pdb or /var/tmp/from_scwrl_1258180138_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1258180138.pdb or /var/tmp/from_scwrl_1258180138_b.pdb or /var/tmp/from_scwrl_1258180138_a.pdb Error: no new SCWRL conformation added # 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 T0329 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS3 # request to SCWRL produces command: ulimit -t 216 ; scwrl3 -i /var/tmp/to_scwrl_444931944.pdb -s /var/tmp/to_scwrl_444931944.seq -o /var/tmp/from_scwrl_444931944.pdb > /var/tmp/scwrl_444931944.log sh: /var/tmp/scwrl_444931944.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_444931944.pdb or /var/tmp/from_scwrl_444931944.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_444931944_b.pdb or decoys//var/tmp/from_scwrl_444931944_b.pdb.gz for input Trying /var/tmp/from_scwrl_444931944_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_444931944_b.pdb or /var/tmp/from_scwrl_444931944_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_444931944_a.pdb or decoys//var/tmp/from_scwrl_444931944_a.pdb.gz for input Trying /var/tmp/from_scwrl_444931944_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_444931944_a.pdb or /var/tmp/from_scwrl_444931944_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_444931944.pdb or /var/tmp/from_scwrl_444931944_b.pdb or /var/tmp/from_scwrl_444931944_a.pdb Error: no new SCWRL conformation added # 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 T0329 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS4 # request to SCWRL produces command: ulimit -t 216 ; scwrl3 -i /var/tmp/to_scwrl_2123314242.pdb -s /var/tmp/to_scwrl_2123314242.seq -o /var/tmp/from_scwrl_2123314242.pdb > /var/tmp/scwrl_2123314242.log sh: /var/tmp/scwrl_2123314242.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_2123314242.pdb or /var/tmp/from_scwrl_2123314242.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2123314242_b.pdb or decoys//var/tmp/from_scwrl_2123314242_b.pdb.gz for input Trying /var/tmp/from_scwrl_2123314242_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_2123314242_b.pdb or /var/tmp/from_scwrl_2123314242_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2123314242_a.pdb or decoys//var/tmp/from_scwrl_2123314242_a.pdb.gz for input Trying /var/tmp/from_scwrl_2123314242_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_2123314242_a.pdb or /var/tmp/from_scwrl_2123314242_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_2123314242.pdb or /var/tmp/from_scwrl_2123314242_b.pdb or /var/tmp/from_scwrl_2123314242_a.pdb Error: no new SCWRL conformation added # 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 T0329 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS5 # request to SCWRL produces command: ulimit -t 216 ; scwrl3 -i /var/tmp/to_scwrl_1165735460.pdb -s /var/tmp/to_scwrl_1165735460.seq -o /var/tmp/from_scwrl_1165735460.pdb > /var/tmp/scwrl_1165735460.log sh: /var/tmp/scwrl_1165735460.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1165735460.pdb or /var/tmp/from_scwrl_1165735460.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1165735460_b.pdb or decoys//var/tmp/from_scwrl_1165735460_b.pdb.gz for input Trying /var/tmp/from_scwrl_1165735460_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1165735460_b.pdb or /var/tmp/from_scwrl_1165735460_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1165735460_a.pdb or decoys//var/tmp/from_scwrl_1165735460_a.pdb.gz for input Trying /var/tmp/from_scwrl_1165735460_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1165735460_a.pdb or /var/tmp/from_scwrl_1165735460_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1165735460.pdb or /var/tmp/from_scwrl_1165735460_b.pdb or /var/tmp/from_scwrl_1165735460_a.pdb Error: no new SCWRL conformation added # 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 T0329 can't currently be optimized by undertaker # naming current conformation LOOPP_TS1 # request to SCWRL produces command: ulimit -t 216 ; scwrl3 -i /var/tmp/to_scwrl_1557808993.pdb -s /var/tmp/to_scwrl_1557808993.seq -o /var/tmp/from_scwrl_1557808993.pdb > /var/tmp/scwrl_1557808993.log sh: /var/tmp/scwrl_1557808993.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1557808993.pdb or /var/tmp/from_scwrl_1557808993.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1557808993_b.pdb or decoys//var/tmp/from_scwrl_1557808993_b.pdb.gz for input Trying /var/tmp/from_scwrl_1557808993_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1557808993_b.pdb or /var/tmp/from_scwrl_1557808993_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1557808993_a.pdb or decoys//var/tmp/from_scwrl_1557808993_a.pdb.gz for input Trying /var/tmp/from_scwrl_1557808993_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1557808993_a.pdb or /var/tmp/from_scwrl_1557808993_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1557808993.pdb or /var/tmp/from_scwrl_1557808993_b.pdb or /var/tmp/from_scwrl_1557808993_a.pdb Error: no new SCWRL conformation added # naming current conformation LOOPP_TS1-scwrl # ReadConformPDB reading from PDB file servers/LOOPP_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0329 can't currently be optimized by undertaker # naming current conformation LOOPP_TS2 # request to SCWRL produces command: ulimit -t 216 ; scwrl3 -i /var/tmp/to_scwrl_290954765.pdb -s /var/tmp/to_scwrl_290954765.seq -o /var/tmp/from_scwrl_290954765.pdb > /var/tmp/scwrl_290954765.log sh: /var/tmp/scwrl_290954765.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_290954765.pdb or /var/tmp/from_scwrl_290954765.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_290954765_b.pdb or decoys//var/tmp/from_scwrl_290954765_b.pdb.gz for input Trying /var/tmp/from_scwrl_290954765_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_290954765_b.pdb or /var/tmp/from_scwrl_290954765_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_290954765_a.pdb or decoys//var/tmp/from_scwrl_290954765_a.pdb.gz for input Trying /var/tmp/from_scwrl_290954765_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_290954765_a.pdb or /var/tmp/from_scwrl_290954765_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_290954765.pdb or /var/tmp/from_scwrl_290954765_b.pdb or /var/tmp/from_scwrl_290954765_a.pdb Error: no new SCWRL conformation added # naming current conformation LOOPP_TS2-scwrl # ReadConformPDB reading from PDB file servers/LOOPP_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0329 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation LOOPP_TS3 # request to SCWRL produces command: ulimit -t 216 ; scwrl3 -i /var/tmp/to_scwrl_57542334.pdb -s /var/tmp/to_scwrl_57542334.seq -o /var/tmp/from_scwrl_57542334.pdb > /var/tmp/scwrl_57542334.log sh: /var/tmp/scwrl_57542334.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_57542334.pdb or /var/tmp/from_scwrl_57542334.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_57542334_b.pdb or decoys//var/tmp/from_scwrl_57542334_b.pdb.gz for input Trying /var/tmp/from_scwrl_57542334_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_57542334_b.pdb or /var/tmp/from_scwrl_57542334_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_57542334_a.pdb or decoys//var/tmp/from_scwrl_57542334_a.pdb.gz for input Trying /var/tmp/from_scwrl_57542334_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_57542334_a.pdb or /var/tmp/from_scwrl_57542334_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_57542334.pdb or /var/tmp/from_scwrl_57542334_b.pdb or /var/tmp/from_scwrl_57542334_a.pdb Error: no new SCWRL conformation added # naming current conformation LOOPP_TS3-scwrl # ReadConformPDB reading from PDB file servers/LOOPP_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0329 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation LOOPP_TS4 # request to SCWRL produces command: ulimit -t 216 ; scwrl3 -i /var/tmp/to_scwrl_175779756.pdb -s /var/tmp/to_scwrl_175779756.seq -o /var/tmp/from_scwrl_175779756.pdb > /var/tmp/scwrl_175779756.log sh: /var/tmp/scwrl_175779756.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_175779756.pdb or /var/tmp/from_scwrl_175779756.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_175779756_b.pdb or decoys//var/tmp/from_scwrl_175779756_b.pdb.gz for input Trying /var/tmp/from_scwrl_175779756_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_175779756_b.pdb or /var/tmp/from_scwrl_175779756_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_175779756_a.pdb or decoys//var/tmp/from_scwrl_175779756_a.pdb.gz for input Trying /var/tmp/from_scwrl_175779756_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_175779756_a.pdb or /var/tmp/from_scwrl_175779756_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_175779756.pdb or /var/tmp/from_scwrl_175779756_b.pdb or /var/tmp/from_scwrl_175779756_a.pdb Error: no new SCWRL conformation added # naming current conformation LOOPP_TS4-scwrl # ReadConformPDB reading from PDB file servers/LOOPP_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0329 can't currently be optimized by undertaker # naming current conformation LOOPP_TS5 # request to SCWRL produces command: ulimit -t 216 ; scwrl3 -i /var/tmp/to_scwrl_1686046769.pdb -s /var/tmp/to_scwrl_1686046769.seq -o /var/tmp/from_scwrl_1686046769.pdb > /var/tmp/scwrl_1686046769.log sh: /var/tmp/scwrl_1686046769.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1686046769.pdb or /var/tmp/from_scwrl_1686046769.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1686046769_b.pdb or decoys//var/tmp/from_scwrl_1686046769_b.pdb.gz for input Trying /var/tmp/from_scwrl_1686046769_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1686046769_b.pdb or /var/tmp/from_scwrl_1686046769_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1686046769_a.pdb or decoys//var/tmp/from_scwrl_1686046769_a.pdb.gz for input Trying /var/tmp/from_scwrl_1686046769_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1686046769_a.pdb or /var/tmp/from_scwrl_1686046769_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1686046769.pdb or /var/tmp/from_scwrl_1686046769_b.pdb or /var/tmp/from_scwrl_1686046769_a.pdb Error: no new SCWRL conformation added # naming current conformation LOOPP_TS5-scwrl # ReadConformPDB reading from PDB file servers/MIG_FROST_AL1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0329 can't currently be optimized by undertaker # naming current conformation MIG_FROST_AL1 # request to SCWRL produces command: ulimit -t 216 ; scwrl3 -i /var/tmp/to_scwrl_2084166240.pdb -s /var/tmp/to_scwrl_2084166240.seq -o /var/tmp/from_scwrl_2084166240.pdb > /var/tmp/scwrl_2084166240.log sh: /var/tmp/scwrl_2084166240.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_2084166240.pdb or /var/tmp/from_scwrl_2084166240.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2084166240_b.pdb or decoys//var/tmp/from_scwrl_2084166240_b.pdb.gz for input Trying /var/tmp/from_scwrl_2084166240_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_2084166240_b.pdb or /var/tmp/from_scwrl_2084166240_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2084166240_a.pdb or decoys//var/tmp/from_scwrl_2084166240_a.pdb.gz for input Trying /var/tmp/from_scwrl_2084166240_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_2084166240_a.pdb or /var/tmp/from_scwrl_2084166240_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_2084166240.pdb or /var/tmp/from_scwrl_2084166240_b.pdb or /var/tmp/from_scwrl_2084166240_a.pdb Error: no new SCWRL conformation added # naming current conformation MIG_FROST_AL1-scwrl # ReadConformPDB reading from PDB file servers/Ma-OPUS-server2_TS1.pdb.gz looking for model 1 # Found a chain break before 96 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server2_TS1 # request to SCWRL produces command: ulimit -t 216 ; scwrl3 -i /var/tmp/to_scwrl_1596732323.pdb -s /var/tmp/to_scwrl_1596732323.seq -o /var/tmp/from_scwrl_1596732323.pdb > /var/tmp/scwrl_1596732323.log sh: /var/tmp/scwrl_1596732323.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1596732323.pdb or /var/tmp/from_scwrl_1596732323.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1596732323_b.pdb or decoys//var/tmp/from_scwrl_1596732323_b.pdb.gz for input Trying /var/tmp/from_scwrl_1596732323_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1596732323_b.pdb or /var/tmp/from_scwrl_1596732323_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1596732323_a.pdb or decoys//var/tmp/from_scwrl_1596732323_a.pdb.gz for input Trying /var/tmp/from_scwrl_1596732323_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1596732323_a.pdb or /var/tmp/from_scwrl_1596732323_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1596732323.pdb or /var/tmp/from_scwrl_1596732323_b.pdb or /var/tmp/from_scwrl_1596732323_a.pdb Error: no new SCWRL conformation added # naming current conformation Ma-OPUS-server2_TS1-scwrl # ReadConformPDB reading from PDB file servers/Ma-OPUS-server2_TS2.pdb.gz looking for model 1 # Found a chain break before 160 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server2_TS2 # request to SCWRL produces command: ulimit -t 216 ; scwrl3 -i /var/tmp/to_scwrl_760398126.pdb -s /var/tmp/to_scwrl_760398126.seq -o /var/tmp/from_scwrl_760398126.pdb > /var/tmp/scwrl_760398126.log sh: /var/tmp/scwrl_760398126.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_760398126.pdb or /var/tmp/from_scwrl_760398126.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_760398126_b.pdb or decoys//var/tmp/from_scwrl_760398126_b.pdb.gz for input Trying /var/tmp/from_scwrl_760398126_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_760398126_b.pdb or /var/tmp/from_scwrl_760398126_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_760398126_a.pdb or decoys//var/tmp/from_scwrl_760398126_a.pdb.gz for input Trying /var/tmp/from_scwrl_760398126_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_760398126_a.pdb or /var/tmp/from_scwrl_760398126_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_760398126.pdb or /var/tmp/from_scwrl_760398126_b.pdb or /var/tmp/from_scwrl_760398126_a.pdb Error: no new SCWRL conformation added # naming current conformation Ma-OPUS-server2_TS2-scwrl # ReadConformPDB reading from PDB file servers/Ma-OPUS-server2_TS3.pdb.gz looking for model 1 # Found a chain break before 230 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server2_TS3 # request to SCWRL produces command: ulimit -t 216 ; scwrl3 -i /var/tmp/to_scwrl_1111911765.pdb -s /var/tmp/to_scwrl_1111911765.seq -o /var/tmp/from_scwrl_1111911765.pdb > /var/tmp/scwrl_1111911765.log sh: /var/tmp/scwrl_1111911765.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1111911765.pdb or /var/tmp/from_scwrl_1111911765.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1111911765_b.pdb or decoys//var/tmp/from_scwrl_1111911765_b.pdb.gz for input Trying /var/tmp/from_scwrl_1111911765_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1111911765_b.pdb or /var/tmp/from_scwrl_1111911765_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1111911765_a.pdb or decoys//var/tmp/from_scwrl_1111911765_a.pdb.gz for input Trying /var/tmp/from_scwrl_1111911765_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1111911765_a.pdb or /var/tmp/from_scwrl_1111911765_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1111911765.pdb or /var/tmp/from_scwrl_1111911765_b.pdb or /var/tmp/from_scwrl_1111911765_a.pdb Error: no new SCWRL conformation added # naming current conformation Ma-OPUS-server2_TS3-scwrl # ReadConformPDB reading from PDB file servers/Ma-OPUS-server2_TS4.pdb.gz looking for model 1 # Found a chain break before 149 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server2_TS4 # request to SCWRL produces command: ulimit -t 216 ; scwrl3 -i /var/tmp/to_scwrl_752610524.pdb -s /var/tmp/to_scwrl_752610524.seq -o /var/tmp/from_scwrl_752610524.pdb > /var/tmp/scwrl_752610524.log sh: /var/tmp/scwrl_752610524.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_752610524.pdb or /var/tmp/from_scwrl_752610524.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_752610524_b.pdb or decoys//var/tmp/from_scwrl_752610524_b.pdb.gz for input Trying /var/tmp/from_scwrl_752610524_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_752610524_b.pdb or /var/tmp/from_scwrl_752610524_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_752610524_a.pdb or decoys//var/tmp/from_scwrl_752610524_a.pdb.gz for input Trying /var/tmp/from_scwrl_752610524_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_752610524_a.pdb or /var/tmp/from_scwrl_752610524_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_752610524.pdb or /var/tmp/from_scwrl_752610524_b.pdb or /var/tmp/from_scwrl_752610524_a.pdb Error: no new SCWRL conformation added # naming current conformation Ma-OPUS-server2_TS4-scwrl # ReadConformPDB reading from PDB file servers/Ma-OPUS-server2_TS5.pdb.gz looking for model 1 # Found a chain break before 223 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server2_TS5 # request to SCWRL produces command: ulimit -t 216 ; scwrl3 -i /var/tmp/to_scwrl_1659205642.pdb -s /var/tmp/to_scwrl_1659205642.seq -o /var/tmp/from_scwrl_1659205642.pdb > /var/tmp/scwrl_1659205642.log sh: /var/tmp/scwrl_1659205642.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1659205642.pdb or /var/tmp/from_scwrl_1659205642.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1659205642_b.pdb or decoys//var/tmp/from_scwrl_1659205642_b.pdb.gz for input Trying /var/tmp/from_scwrl_1659205642_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1659205642_b.pdb or /var/tmp/from_scwrl_1659205642_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1659205642_a.pdb or decoys//var/tmp/from_scwrl_1659205642_a.pdb.gz for input Trying /var/tmp/from_scwrl_1659205642_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1659205642_a.pdb or /var/tmp/from_scwrl_1659205642_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1659205642.pdb or /var/tmp/from_scwrl_1659205642_b.pdb or /var/tmp/from_scwrl_1659205642_a.pdb Error: no new SCWRL conformation added # naming current conformation Ma-OPUS-server2_TS5-scwrl # ReadConformPDB reading from PDB file servers/Ma-OPUS-server_TS1.pdb.gz looking for model 1 # Found a chain break before 190 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS1 # request to SCWRL produces command: ulimit -t 216 ; scwrl3 -i /var/tmp/to_scwrl_1517917214.pdb -s /var/tmp/to_scwrl_1517917214.seq -o /var/tmp/from_scwrl_1517917214.pdb > /var/tmp/scwrl_1517917214.log sh: /var/tmp/scwrl_1517917214.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1517917214.pdb or /var/tmp/from_scwrl_1517917214.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1517917214_b.pdb or decoys//var/tmp/from_scwrl_1517917214_b.pdb.gz for input Trying /var/tmp/from_scwrl_1517917214_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1517917214_b.pdb or /var/tmp/from_scwrl_1517917214_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1517917214_a.pdb or decoys//var/tmp/from_scwrl_1517917214_a.pdb.gz for input Trying /var/tmp/from_scwrl_1517917214_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1517917214_a.pdb or /var/tmp/from_scwrl_1517917214_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1517917214.pdb or /var/tmp/from_scwrl_1517917214_b.pdb or /var/tmp/from_scwrl_1517917214_a.pdb Error: no new SCWRL conformation added # naming current conformation Ma-OPUS-server_TS1-scwrl # ReadConformPDB reading from PDB file servers/Ma-OPUS-server_TS2.pdb.gz looking for model 1 # Found a chain break before 160 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS2 # request to SCWRL produces command: ulimit -t 216 ; scwrl3 -i /var/tmp/to_scwrl_92688873.pdb -s /var/tmp/to_scwrl_92688873.seq -o /var/tmp/from_scwrl_92688873.pdb > /var/tmp/scwrl_92688873.log sh: /var/tmp/scwrl_92688873.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_92688873.pdb or /var/tmp/from_scwrl_92688873.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_92688873_b.pdb or decoys//var/tmp/from_scwrl_92688873_b.pdb.gz for input Trying /var/tmp/from_scwrl_92688873_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_92688873_b.pdb or /var/tmp/from_scwrl_92688873_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_92688873_a.pdb or decoys//var/tmp/from_scwrl_92688873_a.pdb.gz for input Trying /var/tmp/from_scwrl_92688873_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_92688873_a.pdb or /var/tmp/from_scwrl_92688873_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_92688873.pdb or /var/tmp/from_scwrl_92688873_b.pdb or /var/tmp/from_scwrl_92688873_a.pdb Error: no new SCWRL conformation added # 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 156 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS3 # request to SCWRL produces command: ulimit -t 216 ; scwrl3 -i /var/tmp/to_scwrl_539871654.pdb -s /var/tmp/to_scwrl_539871654.seq -o /var/tmp/from_scwrl_539871654.pdb > /var/tmp/scwrl_539871654.log sh: /var/tmp/scwrl_539871654.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_539871654.pdb or /var/tmp/from_scwrl_539871654.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_539871654_b.pdb or decoys//var/tmp/from_scwrl_539871654_b.pdb.gz for input Trying /var/tmp/from_scwrl_539871654_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_539871654_b.pdb or /var/tmp/from_scwrl_539871654_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_539871654_a.pdb or decoys//var/tmp/from_scwrl_539871654_a.pdb.gz for input Trying /var/tmp/from_scwrl_539871654_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_539871654_a.pdb or /var/tmp/from_scwrl_539871654_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_539871654.pdb or /var/tmp/from_scwrl_539871654_b.pdb or /var/tmp/from_scwrl_539871654_a.pdb Error: no new SCWRL conformation added # naming current conformation Ma-OPUS-server_TS3-scwrl # ReadConformPDB reading from PDB file servers/Ma-OPUS-server_TS4.pdb.gz looking for model 1 # Found a chain break before 213 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS4 # request to SCWRL produces command: ulimit -t 216 ; scwrl3 -i /var/tmp/to_scwrl_1871149788.pdb -s /var/tmp/to_scwrl_1871149788.seq -o /var/tmp/from_scwrl_1871149788.pdb > /var/tmp/scwrl_1871149788.log sh: /var/tmp/scwrl_1871149788.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1871149788.pdb or /var/tmp/from_scwrl_1871149788.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1871149788_b.pdb or decoys//var/tmp/from_scwrl_1871149788_b.pdb.gz for input Trying /var/tmp/from_scwrl_1871149788_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1871149788_b.pdb or /var/tmp/from_scwrl_1871149788_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1871149788_a.pdb or decoys//var/tmp/from_scwrl_1871149788_a.pdb.gz for input Trying /var/tmp/from_scwrl_1871149788_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1871149788_a.pdb or /var/tmp/from_scwrl_1871149788_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1871149788.pdb or /var/tmp/from_scwrl_1871149788_b.pdb or /var/tmp/from_scwrl_1871149788_a.pdb Error: no new SCWRL conformation added # 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 160 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS5 # request to SCWRL produces command: ulimit -t 216 ; scwrl3 -i /var/tmp/to_scwrl_1312733081.pdb -s /var/tmp/to_scwrl_1312733081.seq -o /var/tmp/from_scwrl_1312733081.pdb > /var/tmp/scwrl_1312733081.log sh: /var/tmp/scwrl_1312733081.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1312733081.pdb or /var/tmp/from_scwrl_1312733081.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1312733081_b.pdb or decoys//var/tmp/from_scwrl_1312733081_b.pdb.gz for input Trying /var/tmp/from_scwrl_1312733081_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1312733081_b.pdb or /var/tmp/from_scwrl_1312733081_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1312733081_a.pdb or decoys//var/tmp/from_scwrl_1312733081_a.pdb.gz for input Trying /var/tmp/from_scwrl_1312733081_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1312733081_a.pdb or /var/tmp/from_scwrl_1312733081_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1312733081.pdb or /var/tmp/from_scwrl_1312733081_b.pdb or /var/tmp/from_scwrl_1312733081_a.pdb Error: no new SCWRL conformation added # 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 225 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS1 # request to SCWRL produces command: ulimit -t 216 ; scwrl3 -i /var/tmp/to_scwrl_395233946.pdb -s /var/tmp/to_scwrl_395233946.seq -o /var/tmp/from_scwrl_395233946.pdb > /var/tmp/scwrl_395233946.log sh: /var/tmp/scwrl_395233946.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_395233946.pdb or /var/tmp/from_scwrl_395233946.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_395233946_b.pdb or decoys//var/tmp/from_scwrl_395233946_b.pdb.gz for input Trying /var/tmp/from_scwrl_395233946_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_395233946_b.pdb or /var/tmp/from_scwrl_395233946_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_395233946_a.pdb or decoys//var/tmp/from_scwrl_395233946_a.pdb.gz for input Trying /var/tmp/from_scwrl_395233946_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_395233946_a.pdb or /var/tmp/from_scwrl_395233946_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_395233946.pdb or /var/tmp/from_scwrl_395233946_b.pdb or /var/tmp/from_scwrl_395233946_a.pdb Error: no new SCWRL conformation added # 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 224 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS2 # request to SCWRL produces command: ulimit -t 216 ; scwrl3 -i /var/tmp/to_scwrl_1353489577.pdb -s /var/tmp/to_scwrl_1353489577.seq -o /var/tmp/from_scwrl_1353489577.pdb > /var/tmp/scwrl_1353489577.log sh: /var/tmp/scwrl_1353489577.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1353489577.pdb or /var/tmp/from_scwrl_1353489577.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1353489577_b.pdb or decoys//var/tmp/from_scwrl_1353489577_b.pdb.gz for input Trying /var/tmp/from_scwrl_1353489577_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1353489577_b.pdb or /var/tmp/from_scwrl_1353489577_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1353489577_a.pdb or decoys//var/tmp/from_scwrl_1353489577_a.pdb.gz for input Trying /var/tmp/from_scwrl_1353489577_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1353489577_a.pdb or /var/tmp/from_scwrl_1353489577_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1353489577.pdb or /var/tmp/from_scwrl_1353489577_b.pdb or /var/tmp/from_scwrl_1353489577_a.pdb Error: no new SCWRL conformation added # 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 226 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS3 # request to SCWRL produces command: ulimit -t 216 ; scwrl3 -i /var/tmp/to_scwrl_1092907774.pdb -s /var/tmp/to_scwrl_1092907774.seq -o /var/tmp/from_scwrl_1092907774.pdb > /var/tmp/scwrl_1092907774.log sh: /var/tmp/scwrl_1092907774.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1092907774.pdb or /var/tmp/from_scwrl_1092907774.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1092907774_b.pdb or decoys//var/tmp/from_scwrl_1092907774_b.pdb.gz for input Trying /var/tmp/from_scwrl_1092907774_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1092907774_b.pdb or /var/tmp/from_scwrl_1092907774_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1092907774_a.pdb or decoys//var/tmp/from_scwrl_1092907774_a.pdb.gz for input Trying /var/tmp/from_scwrl_1092907774_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1092907774_a.pdb or /var/tmp/from_scwrl_1092907774_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1092907774.pdb or /var/tmp/from_scwrl_1092907774_b.pdb or /var/tmp/from_scwrl_1092907774_a.pdb Error: no new SCWRL conformation added # 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 222 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS4 # request to SCWRL produces command: ulimit -t 216 ; scwrl3 -i /var/tmp/to_scwrl_1099812292.pdb -s /var/tmp/to_scwrl_1099812292.seq -o /var/tmp/from_scwrl_1099812292.pdb > /var/tmp/scwrl_1099812292.log sh: /var/tmp/scwrl_1099812292.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1099812292.pdb or /var/tmp/from_scwrl_1099812292.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1099812292_b.pdb or decoys//var/tmp/from_scwrl_1099812292_b.pdb.gz for input Trying /var/tmp/from_scwrl_1099812292_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1099812292_b.pdb or /var/tmp/from_scwrl_1099812292_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1099812292_a.pdb or decoys//var/tmp/from_scwrl_1099812292_a.pdb.gz for input Trying /var/tmp/from_scwrl_1099812292_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1099812292_a.pdb or /var/tmp/from_scwrl_1099812292_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1099812292.pdb or /var/tmp/from_scwrl_1099812292_b.pdb or /var/tmp/from_scwrl_1099812292_a.pdb Error: no new SCWRL conformation added # 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 237 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS5 # request to SCWRL produces command: ulimit -t 216 ; scwrl3 -i /var/tmp/to_scwrl_1476714231.pdb -s /var/tmp/to_scwrl_1476714231.seq -o /var/tmp/from_scwrl_1476714231.pdb > /var/tmp/scwrl_1476714231.log sh: /var/tmp/scwrl_1476714231.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1476714231.pdb or /var/tmp/from_scwrl_1476714231.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1476714231_b.pdb or decoys//var/tmp/from_scwrl_1476714231_b.pdb.gz for input Trying /var/tmp/from_scwrl_1476714231_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1476714231_b.pdb or /var/tmp/from_scwrl_1476714231_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1476714231_a.pdb or decoys//var/tmp/from_scwrl_1476714231_a.pdb.gz for input Trying /var/tmp/from_scwrl_1476714231_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1476714231_a.pdb or /var/tmp/from_scwrl_1476714231_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1476714231.pdb or /var/tmp/from_scwrl_1476714231_b.pdb or /var/tmp/from_scwrl_1476714231_a.pdb Error: no new SCWRL conformation added # naming current conformation MetaTasser_TS5-scwrl # ReadConformPDB reading from PDB file servers/NN_PUT_lab_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0329 can't currently be optimized by undertaker # naming current conformation NN_PUT_lab_TS1 # request to SCWRL produces command: ulimit -t 216 ; scwrl3 -i /var/tmp/to_scwrl_665818877.pdb -s /var/tmp/to_scwrl_665818877.seq -o /var/tmp/from_scwrl_665818877.pdb > /var/tmp/scwrl_665818877.log sh: /var/tmp/scwrl_665818877.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_665818877.pdb or /var/tmp/from_scwrl_665818877.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_665818877_b.pdb or decoys//var/tmp/from_scwrl_665818877_b.pdb.gz for input Trying /var/tmp/from_scwrl_665818877_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_665818877_b.pdb or /var/tmp/from_scwrl_665818877_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_665818877_a.pdb or decoys//var/tmp/from_scwrl_665818877_a.pdb.gz for input Trying /var/tmp/from_scwrl_665818877_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_665818877_a.pdb or /var/tmp/from_scwrl_665818877_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_665818877.pdb or /var/tmp/from_scwrl_665818877_b.pdb or /var/tmp/from_scwrl_665818877_a.pdb Error: no new SCWRL conformation added # naming current conformation NN_PUT_lab_TS1-scwrl # ReadConformPDB reading from PDB file servers/PROTINFO-AB_TS1.pdb.gz looking for model 1 # naming current conformation PROTINFO-AB_TS1 # request to SCWRL produces command: ulimit -t 216 ; scwrl3 -i /var/tmp/to_scwrl_86506940.pdb -s /var/tmp/to_scwrl_86506940.seq -o /var/tmp/from_scwrl_86506940.pdb > /var/tmp/scwrl_86506940.log sh: /var/tmp/scwrl_86506940.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_86506940.pdb or /var/tmp/from_scwrl_86506940.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_86506940_b.pdb or decoys//var/tmp/from_scwrl_86506940_b.pdb.gz for input Trying /var/tmp/from_scwrl_86506940_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_86506940_b.pdb or /var/tmp/from_scwrl_86506940_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_86506940_a.pdb or decoys//var/tmp/from_scwrl_86506940_a.pdb.gz for input Trying /var/tmp/from_scwrl_86506940_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_86506940_a.pdb or /var/tmp/from_scwrl_86506940_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_86506940.pdb or /var/tmp/from_scwrl_86506940_b.pdb or /var/tmp/from_scwrl_86506940_a.pdb Error: no new SCWRL conformation added # 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 216 ; scwrl3 -i /var/tmp/to_scwrl_1109733899.pdb -s /var/tmp/to_scwrl_1109733899.seq -o /var/tmp/from_scwrl_1109733899.pdb > /var/tmp/scwrl_1109733899.log sh: /var/tmp/scwrl_1109733899.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1109733899.pdb or /var/tmp/from_scwrl_1109733899.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1109733899_b.pdb or decoys//var/tmp/from_scwrl_1109733899_b.pdb.gz for input Trying /var/tmp/from_scwrl_1109733899_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1109733899_b.pdb or /var/tmp/from_scwrl_1109733899_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1109733899_a.pdb or decoys//var/tmp/from_scwrl_1109733899_a.pdb.gz for input Trying /var/tmp/from_scwrl_1109733899_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1109733899_a.pdb or /var/tmp/from_scwrl_1109733899_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1109733899.pdb or /var/tmp/from_scwrl_1109733899_b.pdb or /var/tmp/from_scwrl_1109733899_a.pdb Error: no new SCWRL conformation added # 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 216 ; scwrl3 -i /var/tmp/to_scwrl_80714353.pdb -s /var/tmp/to_scwrl_80714353.seq -o /var/tmp/from_scwrl_80714353.pdb > /var/tmp/scwrl_80714353.log sh: /var/tmp/scwrl_80714353.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_80714353.pdb or /var/tmp/from_scwrl_80714353.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_80714353_b.pdb or decoys//var/tmp/from_scwrl_80714353_b.pdb.gz for input Trying /var/tmp/from_scwrl_80714353_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_80714353_b.pdb or /var/tmp/from_scwrl_80714353_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_80714353_a.pdb or decoys//var/tmp/from_scwrl_80714353_a.pdb.gz for input Trying /var/tmp/from_scwrl_80714353_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_80714353_a.pdb or /var/tmp/from_scwrl_80714353_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_80714353.pdb or /var/tmp/from_scwrl_80714353_b.pdb or /var/tmp/from_scwrl_80714353_a.pdb Error: no new SCWRL conformation added # 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 216 ; scwrl3 -i /var/tmp/to_scwrl_479873708.pdb -s /var/tmp/to_scwrl_479873708.seq -o /var/tmp/from_scwrl_479873708.pdb > /var/tmp/scwrl_479873708.log sh: /var/tmp/scwrl_479873708.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_479873708.pdb or /var/tmp/from_scwrl_479873708.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_479873708_b.pdb or decoys//var/tmp/from_scwrl_479873708_b.pdb.gz for input Trying /var/tmp/from_scwrl_479873708_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_479873708_b.pdb or /var/tmp/from_scwrl_479873708_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_479873708_a.pdb or decoys//var/tmp/from_scwrl_479873708_a.pdb.gz for input Trying /var/tmp/from_scwrl_479873708_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_479873708_a.pdb or /var/tmp/from_scwrl_479873708_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_479873708.pdb or /var/tmp/from_scwrl_479873708_b.pdb or /var/tmp/from_scwrl_479873708_a.pdb Error: no new SCWRL conformation added # naming current conformation PROTINFO-AB_TS4-scwrl # ReadConformPDB reading from PDB file servers/PROTINFO-AB_TS5.pdb.gz looking for model 1 # naming current conformation PROTINFO-AB_TS5 # request to SCWRL produces command: ulimit -t 216 ; scwrl3 -i /var/tmp/to_scwrl_1854006229.pdb -s /var/tmp/to_scwrl_1854006229.seq -o /var/tmp/from_scwrl_1854006229.pdb > /var/tmp/scwrl_1854006229.log sh: /var/tmp/scwrl_1854006229.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1854006229.pdb or /var/tmp/from_scwrl_1854006229.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1854006229_b.pdb or decoys//var/tmp/from_scwrl_1854006229_b.pdb.gz for input Trying /var/tmp/from_scwrl_1854006229_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1854006229_b.pdb or /var/tmp/from_scwrl_1854006229_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1854006229_a.pdb or decoys//var/tmp/from_scwrl_1854006229_a.pdb.gz for input Trying /var/tmp/from_scwrl_1854006229_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1854006229_a.pdb or /var/tmp/from_scwrl_1854006229_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1854006229.pdb or /var/tmp/from_scwrl_1854006229_b.pdb or /var/tmp/from_scwrl_1854006229_a.pdb Error: no new SCWRL conformation added # naming current conformation PROTINFO-AB_TS5-scwrl # ReadConformPDB reading from PDB file servers/PROTINFO_TS1.pdb.gz looking for model 1 # Found a chain break before 215 # copying to AlignedFragments data structure # naming current conformation PROTINFO_TS1 # request to SCWRL produces command: ulimit -t 216 ; scwrl3 -i /var/tmp/to_scwrl_1338894491.pdb -s /var/tmp/to_scwrl_1338894491.seq -o /var/tmp/from_scwrl_1338894491.pdb > /var/tmp/scwrl_1338894491.log sh: /var/tmp/scwrl_1338894491.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1338894491.pdb or /var/tmp/from_scwrl_1338894491.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1338894491_b.pdb or decoys//var/tmp/from_scwrl_1338894491_b.pdb.gz for input Trying /var/tmp/from_scwrl_1338894491_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1338894491_b.pdb or /var/tmp/from_scwrl_1338894491_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1338894491_a.pdb or decoys//var/tmp/from_scwrl_1338894491_a.pdb.gz for input Trying /var/tmp/from_scwrl_1338894491_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1338894491_a.pdb or /var/tmp/from_scwrl_1338894491_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1338894491.pdb or /var/tmp/from_scwrl_1338894491_b.pdb or /var/tmp/from_scwrl_1338894491_a.pdb Error: no new SCWRL conformation added # naming current conformation PROTINFO_TS1-scwrl # ReadConformPDB reading from PDB file servers/PROTINFO_TS2.pdb.gz looking for model 1 # Found a chain break before 182 # copying to AlignedFragments data structure # naming current conformation PROTINFO_TS2 # request to SCWRL produces command: ulimit -t 216 ; scwrl3 -i /var/tmp/to_scwrl_924805652.pdb -s /var/tmp/to_scwrl_924805652.seq -o /var/tmp/from_scwrl_924805652.pdb > /var/tmp/scwrl_924805652.log sh: /var/tmp/scwrl_924805652.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_924805652.pdb or /var/tmp/from_scwrl_924805652.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_924805652_b.pdb or decoys//var/tmp/from_scwrl_924805652_b.pdb.gz for input Trying /var/tmp/from_scwrl_924805652_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_924805652_b.pdb or /var/tmp/from_scwrl_924805652_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_924805652_a.pdb or decoys//var/tmp/from_scwrl_924805652_a.pdb.gz for input Trying /var/tmp/from_scwrl_924805652_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_924805652_a.pdb or /var/tmp/from_scwrl_924805652_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_924805652.pdb or /var/tmp/from_scwrl_924805652_b.pdb or /var/tmp/from_scwrl_924805652_a.pdb Error: no new SCWRL conformation added # 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 216 # copying to AlignedFragments data structure # naming current conformation PROTINFO_TS3 # request to SCWRL produces command: ulimit -t 216 ; scwrl3 -i /var/tmp/to_scwrl_1829836824.pdb -s /var/tmp/to_scwrl_1829836824.seq -o /var/tmp/from_scwrl_1829836824.pdb > /var/tmp/scwrl_1829836824.log sh: /var/tmp/scwrl_1829836824.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1829836824.pdb or /var/tmp/from_scwrl_1829836824.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1829836824_b.pdb or decoys//var/tmp/from_scwrl_1829836824_b.pdb.gz for input Trying /var/tmp/from_scwrl_1829836824_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1829836824_b.pdb or /var/tmp/from_scwrl_1829836824_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1829836824_a.pdb or decoys//var/tmp/from_scwrl_1829836824_a.pdb.gz for input Trying /var/tmp/from_scwrl_1829836824_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1829836824_a.pdb or /var/tmp/from_scwrl_1829836824_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1829836824.pdb or /var/tmp/from_scwrl_1829836824_b.pdb or /var/tmp/from_scwrl_1829836824_a.pdb Error: no new SCWRL conformation added # naming current conformation PROTINFO_TS3-scwrl # ReadConformPDB reading from PDB file servers/PROTINFO_TS4.pdb.gz looking for model 1 # Found a chain break before 200 # copying to AlignedFragments data structure # naming current conformation PROTINFO_TS4 # request to SCWRL produces command: ulimit -t 216 ; scwrl3 -i /var/tmp/to_scwrl_357146305.pdb -s /var/tmp/to_scwrl_357146305.seq -o /var/tmp/from_scwrl_357146305.pdb > /var/tmp/scwrl_357146305.log sh: /var/tmp/scwrl_357146305.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_357146305.pdb or /var/tmp/from_scwrl_357146305.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_357146305_b.pdb or decoys//var/tmp/from_scwrl_357146305_b.pdb.gz for input Trying /var/tmp/from_scwrl_357146305_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_357146305_b.pdb or /var/tmp/from_scwrl_357146305_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_357146305_a.pdb or decoys//var/tmp/from_scwrl_357146305_a.pdb.gz for input Trying /var/tmp/from_scwrl_357146305_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_357146305_a.pdb or /var/tmp/from_scwrl_357146305_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_357146305.pdb or /var/tmp/from_scwrl_357146305_b.pdb or /var/tmp/from_scwrl_357146305_a.pdb Error: no new SCWRL conformation added # naming current conformation PROTINFO_TS4-scwrl # ReadConformPDB reading from PDB file servers/PROTINFO_TS5.pdb.gz looking for model 1 # Found a chain break before 215 # copying to AlignedFragments data structure # naming current conformation PROTINFO_TS5 # request to SCWRL produces command: ulimit -t 216 ; scwrl3 -i /var/tmp/to_scwrl_335130999.pdb -s /var/tmp/to_scwrl_335130999.seq -o /var/tmp/from_scwrl_335130999.pdb > /var/tmp/scwrl_335130999.log sh: /var/tmp/scwrl_335130999.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_335130999.pdb or /var/tmp/from_scwrl_335130999.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_335130999_b.pdb or decoys//var/tmp/from_scwrl_335130999_b.pdb.gz for input Trying /var/tmp/from_scwrl_335130999_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_335130999_b.pdb or /var/tmp/from_scwrl_335130999_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_335130999_a.pdb or decoys//var/tmp/from_scwrl_335130999_a.pdb.gz for input Trying /var/tmp/from_scwrl_335130999_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_335130999_a.pdb or /var/tmp/from_scwrl_335130999_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_335130999.pdb or /var/tmp/from_scwrl_335130999_b.pdb or /var/tmp/from_scwrl_335130999_a.pdb Error: no new SCWRL conformation added # naming current conformation PROTINFO_TS5-scwrl # ReadConformPDB reading from PDB file servers/Pcons6_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0329 can't currently be optimized by undertaker # naming current conformation Pcons6_TS1 # request to SCWRL produces command: ulimit -t 216 ; scwrl3 -i /var/tmp/to_scwrl_2120791589.pdb -s /var/tmp/to_scwrl_2120791589.seq -o /var/tmp/from_scwrl_2120791589.pdb > /var/tmp/scwrl_2120791589.log sh: /var/tmp/scwrl_2120791589.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_2120791589.pdb or /var/tmp/from_scwrl_2120791589.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2120791589_b.pdb or decoys//var/tmp/from_scwrl_2120791589_b.pdb.gz for input Trying /var/tmp/from_scwrl_2120791589_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_2120791589_b.pdb or /var/tmp/from_scwrl_2120791589_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2120791589_a.pdb or decoys//var/tmp/from_scwrl_2120791589_a.pdb.gz for input Trying /var/tmp/from_scwrl_2120791589_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_2120791589_a.pdb or /var/tmp/from_scwrl_2120791589_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_2120791589.pdb or /var/tmp/from_scwrl_2120791589_b.pdb or /var/tmp/from_scwrl_2120791589_a.pdb Error: no new SCWRL conformation added # naming current conformation Pcons6_TS1-scwrl # ReadConformPDB reading from PDB file servers/Pcons6_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0329 can't currently be optimized by undertaker # naming current conformation Pcons6_TS2 # request to SCWRL produces command: ulimit -t 216 ; scwrl3 -i /var/tmp/to_scwrl_414688639.pdb -s /var/tmp/to_scwrl_414688639.seq -o /var/tmp/from_scwrl_414688639.pdb > /var/tmp/scwrl_414688639.log sh: /var/tmp/scwrl_414688639.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_414688639.pdb or /var/tmp/from_scwrl_414688639.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_414688639_b.pdb or decoys//var/tmp/from_scwrl_414688639_b.pdb.gz for input Trying /var/tmp/from_scwrl_414688639_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_414688639_b.pdb or /var/tmp/from_scwrl_414688639_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_414688639_a.pdb or decoys//var/tmp/from_scwrl_414688639_a.pdb.gz for input Trying /var/tmp/from_scwrl_414688639_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_414688639_a.pdb or /var/tmp/from_scwrl_414688639_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_414688639.pdb or /var/tmp/from_scwrl_414688639_b.pdb or /var/tmp/from_scwrl_414688639_a.pdb Error: no new SCWRL conformation added # naming current conformation Pcons6_TS2-scwrl # ReadConformPDB reading from PDB file servers/Pcons6_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0329 can't currently be optimized by undertaker # naming current conformation Pcons6_TS3 # request to SCWRL produces command: ulimit -t 216 ; scwrl3 -i /var/tmp/to_scwrl_510910755.pdb -s /var/tmp/to_scwrl_510910755.seq -o /var/tmp/from_scwrl_510910755.pdb > /var/tmp/scwrl_510910755.log sh: /var/tmp/scwrl_510910755.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_510910755.pdb or /var/tmp/from_scwrl_510910755.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_510910755_b.pdb or decoys//var/tmp/from_scwrl_510910755_b.pdb.gz for input Trying /var/tmp/from_scwrl_510910755_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_510910755_b.pdb or /var/tmp/from_scwrl_510910755_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_510910755_a.pdb or decoys//var/tmp/from_scwrl_510910755_a.pdb.gz for input Trying /var/tmp/from_scwrl_510910755_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_510910755_a.pdb or /var/tmp/from_scwrl_510910755_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_510910755.pdb or /var/tmp/from_scwrl_510910755_b.pdb or /var/tmp/from_scwrl_510910755_a.pdb Error: no new SCWRL conformation added # naming current conformation Pcons6_TS3-scwrl # ReadConformPDB reading from PDB file servers/Pcons6_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0329 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation Pcons6_TS4 # request to SCWRL produces command: ulimit -t 216 ; scwrl3 -i /var/tmp/to_scwrl_1659354712.pdb -s /var/tmp/to_scwrl_1659354712.seq -o /var/tmp/from_scwrl_1659354712.pdb > /var/tmp/scwrl_1659354712.log sh: /var/tmp/scwrl_1659354712.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1659354712.pdb or /var/tmp/from_scwrl_1659354712.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1659354712_b.pdb or decoys//var/tmp/from_scwrl_1659354712_b.pdb.gz for input Trying /var/tmp/from_scwrl_1659354712_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1659354712_b.pdb or /var/tmp/from_scwrl_1659354712_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1659354712_a.pdb or decoys//var/tmp/from_scwrl_1659354712_a.pdb.gz for input Trying /var/tmp/from_scwrl_1659354712_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1659354712_a.pdb or /var/tmp/from_scwrl_1659354712_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1659354712.pdb or /var/tmp/from_scwrl_1659354712_b.pdb or /var/tmp/from_scwrl_1659354712_a.pdb Error: no new SCWRL conformation added # naming current conformation Pcons6_TS4-scwrl # ReadConformPDB reading from PDB file servers/Pcons6_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0329 can't currently be optimized by undertaker # naming current conformation Pcons6_TS5 # request to SCWRL produces command: ulimit -t 216 ; scwrl3 -i /var/tmp/to_scwrl_351371232.pdb -s /var/tmp/to_scwrl_351371232.seq -o /var/tmp/from_scwrl_351371232.pdb > /var/tmp/scwrl_351371232.log sh: /var/tmp/scwrl_351371232.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_351371232.pdb or /var/tmp/from_scwrl_351371232.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_351371232_b.pdb or decoys//var/tmp/from_scwrl_351371232_b.pdb.gz for input Trying /var/tmp/from_scwrl_351371232_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_351371232_b.pdb or /var/tmp/from_scwrl_351371232_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_351371232_a.pdb or decoys//var/tmp/from_scwrl_351371232_a.pdb.gz for input Trying /var/tmp/from_scwrl_351371232_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_351371232_a.pdb or /var/tmp/from_scwrl_351371232_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_351371232.pdb or /var/tmp/from_scwrl_351371232_b.pdb or /var/tmp/from_scwrl_351371232_a.pdb Error: no new SCWRL conformation added # naming current conformation Pcons6_TS5-scwrl # ReadConformPDB reading from PDB file servers/Phyre-1_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0329 can't currently be optimized by undertaker # naming current conformation Phyre-1_TS1 # request to SCWRL produces command: ulimit -t 216 ; scwrl3 -i /var/tmp/to_scwrl_2107643079.pdb -s /var/tmp/to_scwrl_2107643079.seq -o /var/tmp/from_scwrl_2107643079.pdb > /var/tmp/scwrl_2107643079.log sh: /var/tmp/scwrl_2107643079.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_2107643079.pdb or /var/tmp/from_scwrl_2107643079.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2107643079_b.pdb or decoys//var/tmp/from_scwrl_2107643079_b.pdb.gz for input Trying /var/tmp/from_scwrl_2107643079_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_2107643079_b.pdb or /var/tmp/from_scwrl_2107643079_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2107643079_a.pdb or decoys//var/tmp/from_scwrl_2107643079_a.pdb.gz for input Trying /var/tmp/from_scwrl_2107643079_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_2107643079_a.pdb or /var/tmp/from_scwrl_2107643079_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_2107643079.pdb or /var/tmp/from_scwrl_2107643079_b.pdb or /var/tmp/from_scwrl_2107643079_a.pdb Error: no new SCWRL conformation added # naming current conformation Phyre-1_TS1-scwrl # ReadConformPDB reading from PDB file servers/Phyre-2_TS1.pdb.gz looking for model 1 # Found a chain break before 236 # copying to AlignedFragments data structure # naming current conformation Phyre-2_TS1 # request to SCWRL produces command: ulimit -t 216 ; scwrl3 -i /var/tmp/to_scwrl_272269191.pdb -s /var/tmp/to_scwrl_272269191.seq -o /var/tmp/from_scwrl_272269191.pdb > /var/tmp/scwrl_272269191.log sh: /var/tmp/scwrl_272269191.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_272269191.pdb or /var/tmp/from_scwrl_272269191.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_272269191_b.pdb or decoys//var/tmp/from_scwrl_272269191_b.pdb.gz for input Trying /var/tmp/from_scwrl_272269191_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_272269191_b.pdb or /var/tmp/from_scwrl_272269191_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_272269191_a.pdb or decoys//var/tmp/from_scwrl_272269191_a.pdb.gz for input Trying /var/tmp/from_scwrl_272269191_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_272269191_a.pdb or /var/tmp/from_scwrl_272269191_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_272269191.pdb or /var/tmp/from_scwrl_272269191_b.pdb or /var/tmp/from_scwrl_272269191_a.pdb Error: no new SCWRL conformation added # naming current conformation Phyre-2_TS1-scwrl # ReadConformPDB reading from PDB file servers/Phyre-2_TS2.pdb.gz looking for model 1 # Found a chain break before 214 # copying to AlignedFragments data structure # naming current conformation Phyre-2_TS2 # request to SCWRL produces command: ulimit -t 216 ; scwrl3 -i /var/tmp/to_scwrl_1463282998.pdb -s /var/tmp/to_scwrl_1463282998.seq -o /var/tmp/from_scwrl_1463282998.pdb > /var/tmp/scwrl_1463282998.log sh: /var/tmp/scwrl_1463282998.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1463282998.pdb or /var/tmp/from_scwrl_1463282998.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1463282998_b.pdb or decoys//var/tmp/from_scwrl_1463282998_b.pdb.gz for input Trying /var/tmp/from_scwrl_1463282998_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1463282998_b.pdb or /var/tmp/from_scwrl_1463282998_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1463282998_a.pdb or decoys//var/tmp/from_scwrl_1463282998_a.pdb.gz for input Trying /var/tmp/from_scwrl_1463282998_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1463282998_a.pdb or /var/tmp/from_scwrl_1463282998_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1463282998.pdb or /var/tmp/from_scwrl_1463282998_b.pdb or /var/tmp/from_scwrl_1463282998_a.pdb Error: no new SCWRL conformation added # 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 T0329 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation Phyre-2_TS3 # request to SCWRL produces command: ulimit -t 216 ; scwrl3 -i /var/tmp/to_scwrl_712769956.pdb -s /var/tmp/to_scwrl_712769956.seq -o /var/tmp/from_scwrl_712769956.pdb > /var/tmp/scwrl_712769956.log sh: /var/tmp/scwrl_712769956.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_712769956.pdb or /var/tmp/from_scwrl_712769956.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_712769956_b.pdb or decoys//var/tmp/from_scwrl_712769956_b.pdb.gz for input Trying /var/tmp/from_scwrl_712769956_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_712769956_b.pdb or /var/tmp/from_scwrl_712769956_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_712769956_a.pdb or decoys//var/tmp/from_scwrl_712769956_a.pdb.gz for input Trying /var/tmp/from_scwrl_712769956_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_712769956_a.pdb or /var/tmp/from_scwrl_712769956_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_712769956.pdb or /var/tmp/from_scwrl_712769956_b.pdb or /var/tmp/from_scwrl_712769956_a.pdb Error: no new SCWRL conformation added # naming current conformation Phyre-2_TS3-scwrl # ReadConformPDB reading from PDB file servers/Phyre-2_TS4.pdb.gz looking for model 1 # Found a chain break before 214 # copying to AlignedFragments data structure # naming current conformation Phyre-2_TS4 # request to SCWRL produces command: ulimit -t 216 ; scwrl3 -i /var/tmp/to_scwrl_1931474833.pdb -s /var/tmp/to_scwrl_1931474833.seq -o /var/tmp/from_scwrl_1931474833.pdb > /var/tmp/scwrl_1931474833.log sh: /var/tmp/scwrl_1931474833.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1931474833.pdb or /var/tmp/from_scwrl_1931474833.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1931474833_b.pdb or decoys//var/tmp/from_scwrl_1931474833_b.pdb.gz for input Trying /var/tmp/from_scwrl_1931474833_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1931474833_b.pdb or /var/tmp/from_scwrl_1931474833_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1931474833_a.pdb or decoys//var/tmp/from_scwrl_1931474833_a.pdb.gz for input Trying /var/tmp/from_scwrl_1931474833_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1931474833_a.pdb or /var/tmp/from_scwrl_1931474833_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1931474833.pdb or /var/tmp/from_scwrl_1931474833_b.pdb or /var/tmp/from_scwrl_1931474833_a.pdb Error: no new SCWRL conformation added # naming current conformation Phyre-2_TS4-scwrl # ReadConformPDB reading from PDB file servers/Phyre-2_TS5.pdb.gz looking for model 1 # Found a chain break before 207 # copying to AlignedFragments data structure # naming current conformation Phyre-2_TS5 # request to SCWRL produces command: ulimit -t 216 ; scwrl3 -i /var/tmp/to_scwrl_833716566.pdb -s /var/tmp/to_scwrl_833716566.seq -o /var/tmp/from_scwrl_833716566.pdb > /var/tmp/scwrl_833716566.log sh: /var/tmp/scwrl_833716566.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_833716566.pdb or /var/tmp/from_scwrl_833716566.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_833716566_b.pdb or decoys//var/tmp/from_scwrl_833716566_b.pdb.gz for input Trying /var/tmp/from_scwrl_833716566_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_833716566_b.pdb or /var/tmp/from_scwrl_833716566_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_833716566_a.pdb or decoys//var/tmp/from_scwrl_833716566_a.pdb.gz for input Trying /var/tmp/from_scwrl_833716566_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_833716566_a.pdb or /var/tmp/from_scwrl_833716566_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_833716566.pdb or /var/tmp/from_scwrl_833716566_b.pdb or /var/tmp/from_scwrl_833716566_a.pdb Error: no new SCWRL conformation added # naming current conformation Phyre-2_TS5-scwrl # ReadConformPDB reading from PDB file servers/Pmodeller6_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0329 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation Pmodeller6_TS1 # request to SCWRL produces command: ulimit -t 216 ; scwrl3 -i /var/tmp/to_scwrl_805458830.pdb -s /var/tmp/to_scwrl_805458830.seq -o /var/tmp/from_scwrl_805458830.pdb > /var/tmp/scwrl_805458830.log sh: /var/tmp/scwrl_805458830.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_805458830.pdb or /var/tmp/from_scwrl_805458830.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_805458830_b.pdb or decoys//var/tmp/from_scwrl_805458830_b.pdb.gz for input Trying /var/tmp/from_scwrl_805458830_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_805458830_b.pdb or /var/tmp/from_scwrl_805458830_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_805458830_a.pdb or decoys//var/tmp/from_scwrl_805458830_a.pdb.gz for input Trying /var/tmp/from_scwrl_805458830_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_805458830_a.pdb or /var/tmp/from_scwrl_805458830_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_805458830.pdb or /var/tmp/from_scwrl_805458830_b.pdb or /var/tmp/from_scwrl_805458830_a.pdb Error: no new SCWRL conformation added # naming current conformation Pmodeller6_TS1-scwrl # ReadConformPDB reading from PDB file servers/Pmodeller6_TS2.pdb.gz looking for model 1 # Found a chain break before 213 # copying to AlignedFragments data structure # naming current conformation Pmodeller6_TS2 # request to SCWRL produces command: ulimit -t 216 ; scwrl3 -i /var/tmp/to_scwrl_323862840.pdb -s /var/tmp/to_scwrl_323862840.seq -o /var/tmp/from_scwrl_323862840.pdb > /var/tmp/scwrl_323862840.log sh: /var/tmp/scwrl_323862840.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_323862840.pdb or /var/tmp/from_scwrl_323862840.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_323862840_b.pdb or decoys//var/tmp/from_scwrl_323862840_b.pdb.gz for input Trying /var/tmp/from_scwrl_323862840_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_323862840_b.pdb or /var/tmp/from_scwrl_323862840_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_323862840_a.pdb or decoys//var/tmp/from_scwrl_323862840_a.pdb.gz for input Trying /var/tmp/from_scwrl_323862840_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_323862840_a.pdb or /var/tmp/from_scwrl_323862840_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_323862840.pdb or /var/tmp/from_scwrl_323862840_b.pdb or /var/tmp/from_scwrl_323862840_a.pdb Error: no new SCWRL conformation added # naming current conformation Pmodeller6_TS2-scwrl # ReadConformPDB reading from PDB file servers/Pmodeller6_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0329 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation Pmodeller6_TS3 # request to SCWRL produces command: ulimit -t 216 ; scwrl3 -i /var/tmp/to_scwrl_557382707.pdb -s /var/tmp/to_scwrl_557382707.seq -o /var/tmp/from_scwrl_557382707.pdb > /var/tmp/scwrl_557382707.log sh: /var/tmp/scwrl_557382707.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_557382707.pdb or /var/tmp/from_scwrl_557382707.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_557382707_b.pdb or decoys//var/tmp/from_scwrl_557382707_b.pdb.gz for input Trying /var/tmp/from_scwrl_557382707_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_557382707_b.pdb or /var/tmp/from_scwrl_557382707_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_557382707_a.pdb or decoys//var/tmp/from_scwrl_557382707_a.pdb.gz for input Trying /var/tmp/from_scwrl_557382707_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_557382707_a.pdb or /var/tmp/from_scwrl_557382707_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_557382707.pdb or /var/tmp/from_scwrl_557382707_b.pdb or /var/tmp/from_scwrl_557382707_a.pdb Error: no new SCWRL conformation added # naming current conformation Pmodeller6_TS3-scwrl # ReadConformPDB reading from PDB file servers/Pmodeller6_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0329 can't currently be optimized by undertaker # naming current conformation Pmodeller6_TS4 # request to SCWRL produces command: ulimit -t 216 ; scwrl3 -i /var/tmp/to_scwrl_2118191911.pdb -s /var/tmp/to_scwrl_2118191911.seq -o /var/tmp/from_scwrl_2118191911.pdb > /var/tmp/scwrl_2118191911.log sh: /var/tmp/scwrl_2118191911.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_2118191911.pdb or /var/tmp/from_scwrl_2118191911.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2118191911_b.pdb or decoys//var/tmp/from_scwrl_2118191911_b.pdb.gz for input Trying /var/tmp/from_scwrl_2118191911_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_2118191911_b.pdb or /var/tmp/from_scwrl_2118191911_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2118191911_a.pdb or decoys//var/tmp/from_scwrl_2118191911_a.pdb.gz for input Trying /var/tmp/from_scwrl_2118191911_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_2118191911_a.pdb or /var/tmp/from_scwrl_2118191911_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_2118191911.pdb or /var/tmp/from_scwrl_2118191911_b.pdb or /var/tmp/from_scwrl_2118191911_a.pdb Error: no new SCWRL conformation added # naming current conformation Pmodeller6_TS4-scwrl # ReadConformPDB reading from PDB file servers/Pmodeller6_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0329 can't currently be optimized by undertaker # naming current conformation Pmodeller6_TS5 # request to SCWRL produces command: ulimit -t 216 ; scwrl3 -i /var/tmp/to_scwrl_719096786.pdb -s /var/tmp/to_scwrl_719096786.seq -o /var/tmp/from_scwrl_719096786.pdb > /var/tmp/scwrl_719096786.log sh: /var/tmp/scwrl_719096786.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_719096786.pdb or /var/tmp/from_scwrl_719096786.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_719096786_b.pdb or decoys//var/tmp/from_scwrl_719096786_b.pdb.gz for input Trying /var/tmp/from_scwrl_719096786_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_719096786_b.pdb or /var/tmp/from_scwrl_719096786_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_719096786_a.pdb or decoys//var/tmp/from_scwrl_719096786_a.pdb.gz for input Trying /var/tmp/from_scwrl_719096786_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_719096786_a.pdb or /var/tmp/from_scwrl_719096786_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_719096786.pdb or /var/tmp/from_scwrl_719096786_b.pdb or /var/tmp/from_scwrl_719096786_a.pdb Error: no new SCWRL conformation added # naming current conformation Pmodeller6_TS5-scwrl # ReadConformPDB reading from PDB file servers/RAPTOR-ACE_TS1.pdb.gz looking for model 1 # Found a chain break before 132 # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS1 # request to SCWRL produces command: ulimit -t 216 ; scwrl3 -i /var/tmp/to_scwrl_1910872284.pdb -s /var/tmp/to_scwrl_1910872284.seq -o /var/tmp/from_scwrl_1910872284.pdb > /var/tmp/scwrl_1910872284.log sh: /var/tmp/scwrl_1910872284.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1910872284.pdb or /var/tmp/from_scwrl_1910872284.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1910872284_b.pdb or decoys//var/tmp/from_scwrl_1910872284_b.pdb.gz for input Trying /var/tmp/from_scwrl_1910872284_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1910872284_b.pdb or /var/tmp/from_scwrl_1910872284_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1910872284_a.pdb or decoys//var/tmp/from_scwrl_1910872284_a.pdb.gz for input Trying /var/tmp/from_scwrl_1910872284_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1910872284_a.pdb or /var/tmp/from_scwrl_1910872284_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1910872284.pdb or /var/tmp/from_scwrl_1910872284_b.pdb or /var/tmp/from_scwrl_1910872284_a.pdb Error: no new SCWRL conformation added # naming current conformation RAPTOR-ACE_TS1-scwrl # ReadConformPDB reading from PDB file servers/RAPTOR-ACE_TS2.pdb.gz looking for model 1 # Found a chain break before 211 # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS2 # request to SCWRL produces command: ulimit -t 216 ; scwrl3 -i /var/tmp/to_scwrl_1063616039.pdb -s /var/tmp/to_scwrl_1063616039.seq -o /var/tmp/from_scwrl_1063616039.pdb > /var/tmp/scwrl_1063616039.log sh: /var/tmp/scwrl_1063616039.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1063616039.pdb or /var/tmp/from_scwrl_1063616039.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1063616039_b.pdb or decoys//var/tmp/from_scwrl_1063616039_b.pdb.gz for input Trying /var/tmp/from_scwrl_1063616039_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1063616039_b.pdb or /var/tmp/from_scwrl_1063616039_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1063616039_a.pdb or decoys//var/tmp/from_scwrl_1063616039_a.pdb.gz for input Trying /var/tmp/from_scwrl_1063616039_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1063616039_a.pdb or /var/tmp/from_scwrl_1063616039_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1063616039.pdb or /var/tmp/from_scwrl_1063616039_b.pdb or /var/tmp/from_scwrl_1063616039_a.pdb Error: no new SCWRL conformation added # naming current conformation RAPTOR-ACE_TS2-scwrl # ReadConformPDB reading from PDB file servers/RAPTOR-ACE_TS3.pdb.gz looking for model 1 # Found a chain break before 149 # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS3 # request to SCWRL produces command: ulimit -t 216 ; scwrl3 -i /var/tmp/to_scwrl_1818909079.pdb -s /var/tmp/to_scwrl_1818909079.seq -o /var/tmp/from_scwrl_1818909079.pdb > /var/tmp/scwrl_1818909079.log sh: /var/tmp/scwrl_1818909079.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1818909079.pdb or /var/tmp/from_scwrl_1818909079.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1818909079_b.pdb or decoys//var/tmp/from_scwrl_1818909079_b.pdb.gz for input Trying /var/tmp/from_scwrl_1818909079_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1818909079_b.pdb or /var/tmp/from_scwrl_1818909079_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1818909079_a.pdb or decoys//var/tmp/from_scwrl_1818909079_a.pdb.gz for input Trying /var/tmp/from_scwrl_1818909079_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1818909079_a.pdb or /var/tmp/from_scwrl_1818909079_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1818909079.pdb or /var/tmp/from_scwrl_1818909079_b.pdb or /var/tmp/from_scwrl_1818909079_a.pdb Error: no new SCWRL conformation added # 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 164 # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS4 # request to SCWRL produces command: ulimit -t 216 ; scwrl3 -i /var/tmp/to_scwrl_1240102868.pdb -s /var/tmp/to_scwrl_1240102868.seq -o /var/tmp/from_scwrl_1240102868.pdb > /var/tmp/scwrl_1240102868.log sh: /var/tmp/scwrl_1240102868.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1240102868.pdb or /var/tmp/from_scwrl_1240102868.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1240102868_b.pdb or decoys//var/tmp/from_scwrl_1240102868_b.pdb.gz for input Trying /var/tmp/from_scwrl_1240102868_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1240102868_b.pdb or /var/tmp/from_scwrl_1240102868_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1240102868_a.pdb or decoys//var/tmp/from_scwrl_1240102868_a.pdb.gz for input Trying /var/tmp/from_scwrl_1240102868_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1240102868_a.pdb or /var/tmp/from_scwrl_1240102868_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1240102868.pdb or /var/tmp/from_scwrl_1240102868_b.pdb or /var/tmp/from_scwrl_1240102868_a.pdb Error: no new SCWRL conformation added # naming current conformation RAPTOR-ACE_TS4-scwrl # ReadConformPDB reading from PDB file servers/RAPTOR-ACE_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0329 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS5 # request to SCWRL produces command: ulimit -t 216 ; scwrl3 -i /var/tmp/to_scwrl_1729434915.pdb -s /var/tmp/to_scwrl_1729434915.seq -o /var/tmp/from_scwrl_1729434915.pdb > /var/tmp/scwrl_1729434915.log sh: /var/tmp/scwrl_1729434915.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1729434915.pdb or /var/tmp/from_scwrl_1729434915.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1729434915_b.pdb or decoys//var/tmp/from_scwrl_1729434915_b.pdb.gz for input Trying /var/tmp/from_scwrl_1729434915_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1729434915_b.pdb or /var/tmp/from_scwrl_1729434915_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1729434915_a.pdb or decoys//var/tmp/from_scwrl_1729434915_a.pdb.gz for input Trying /var/tmp/from_scwrl_1729434915_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1729434915_a.pdb or /var/tmp/from_scwrl_1729434915_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1729434915.pdb or /var/tmp/from_scwrl_1729434915_b.pdb or /var/tmp/from_scwrl_1729434915_a.pdb Error: no new SCWRL conformation added # naming current conformation RAPTOR-ACE_TS5-scwrl # ReadConformPDB reading from PDB file servers/RAPTORESS_TS1.pdb.gz looking for model 1 # naming current conformation RAPTORESS_TS1 # request to SCWRL produces command: ulimit -t 216 ; scwrl3 -i /var/tmp/to_scwrl_1905416019.pdb -s /var/tmp/to_scwrl_1905416019.seq -o /var/tmp/from_scwrl_1905416019.pdb > /var/tmp/scwrl_1905416019.log sh: /var/tmp/scwrl_1905416019.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1905416019.pdb or /var/tmp/from_scwrl_1905416019.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1905416019_b.pdb or decoys//var/tmp/from_scwrl_1905416019_b.pdb.gz for input Trying /var/tmp/from_scwrl_1905416019_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1905416019_b.pdb or /var/tmp/from_scwrl_1905416019_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1905416019_a.pdb or decoys//var/tmp/from_scwrl_1905416019_a.pdb.gz for input Trying /var/tmp/from_scwrl_1905416019_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1905416019_a.pdb or /var/tmp/from_scwrl_1905416019_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1905416019.pdb or /var/tmp/from_scwrl_1905416019_b.pdb or /var/tmp/from_scwrl_1905416019_a.pdb Error: no new SCWRL conformation added # 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 147 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS2 # request to SCWRL produces command: ulimit -t 216 ; scwrl3 -i /var/tmp/to_scwrl_202353122.pdb -s /var/tmp/to_scwrl_202353122.seq -o /var/tmp/from_scwrl_202353122.pdb > /var/tmp/scwrl_202353122.log sh: /var/tmp/scwrl_202353122.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_202353122.pdb or /var/tmp/from_scwrl_202353122.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_202353122_b.pdb or decoys//var/tmp/from_scwrl_202353122_b.pdb.gz for input Trying /var/tmp/from_scwrl_202353122_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_202353122_b.pdb or /var/tmp/from_scwrl_202353122_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_202353122_a.pdb or decoys//var/tmp/from_scwrl_202353122_a.pdb.gz for input Trying /var/tmp/from_scwrl_202353122_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_202353122_a.pdb or /var/tmp/from_scwrl_202353122_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_202353122.pdb or /var/tmp/from_scwrl_202353122_b.pdb or /var/tmp/from_scwrl_202353122_a.pdb Error: no new SCWRL conformation added # naming current conformation RAPTORESS_TS2-scwrl # ReadConformPDB reading from PDB file servers/RAPTORESS_TS3.pdb.gz looking for model 1 # Found a chain break before 179 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS3 # request to SCWRL produces command: ulimit -t 216 ; scwrl3 -i /var/tmp/to_scwrl_1810149268.pdb -s /var/tmp/to_scwrl_1810149268.seq -o /var/tmp/from_scwrl_1810149268.pdb > /var/tmp/scwrl_1810149268.log sh: /var/tmp/scwrl_1810149268.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1810149268.pdb or /var/tmp/from_scwrl_1810149268.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1810149268_b.pdb or decoys//var/tmp/from_scwrl_1810149268_b.pdb.gz for input Trying /var/tmp/from_scwrl_1810149268_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1810149268_b.pdb or /var/tmp/from_scwrl_1810149268_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1810149268_a.pdb or decoys//var/tmp/from_scwrl_1810149268_a.pdb.gz for input Trying /var/tmp/from_scwrl_1810149268_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1810149268_a.pdb or /var/tmp/from_scwrl_1810149268_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1810149268.pdb or /var/tmp/from_scwrl_1810149268_b.pdb or /var/tmp/from_scwrl_1810149268_a.pdb Error: no new SCWRL conformation added # 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 164 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS4 # request to SCWRL produces command: ulimit -t 216 ; scwrl3 -i /var/tmp/to_scwrl_237806080.pdb -s /var/tmp/to_scwrl_237806080.seq -o /var/tmp/from_scwrl_237806080.pdb > /var/tmp/scwrl_237806080.log sh: /var/tmp/scwrl_237806080.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_237806080.pdb or /var/tmp/from_scwrl_237806080.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_237806080_b.pdb or decoys//var/tmp/from_scwrl_237806080_b.pdb.gz for input Trying /var/tmp/from_scwrl_237806080_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_237806080_b.pdb or /var/tmp/from_scwrl_237806080_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_237806080_a.pdb or decoys//var/tmp/from_scwrl_237806080_a.pdb.gz for input Trying /var/tmp/from_scwrl_237806080_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_237806080_a.pdb or /var/tmp/from_scwrl_237806080_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_237806080.pdb or /var/tmp/from_scwrl_237806080_b.pdb or /var/tmp/from_scwrl_237806080_a.pdb Error: no new SCWRL conformation added # 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 38 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS5 # request to SCWRL produces command: ulimit -t 216 ; scwrl3 -i /var/tmp/to_scwrl_2056359351.pdb -s /var/tmp/to_scwrl_2056359351.seq -o /var/tmp/from_scwrl_2056359351.pdb > /var/tmp/scwrl_2056359351.log sh: /var/tmp/scwrl_2056359351.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_2056359351.pdb or /var/tmp/from_scwrl_2056359351.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2056359351_b.pdb or decoys//var/tmp/from_scwrl_2056359351_b.pdb.gz for input Trying /var/tmp/from_scwrl_2056359351_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_2056359351_b.pdb or /var/tmp/from_scwrl_2056359351_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2056359351_a.pdb or decoys//var/tmp/from_scwrl_2056359351_a.pdb.gz for input Trying /var/tmp/from_scwrl_2056359351_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_2056359351_a.pdb or /var/tmp/from_scwrl_2056359351_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_2056359351.pdb or /var/tmp/from_scwrl_2056359351_b.pdb or /var/tmp/from_scwrl_2056359351_a.pdb Error: no new SCWRL conformation added # 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 216 ; scwrl3 -i /var/tmp/to_scwrl_1001560113.pdb -s /var/tmp/to_scwrl_1001560113.seq -o /var/tmp/from_scwrl_1001560113.pdb > /var/tmp/scwrl_1001560113.log sh: /var/tmp/scwrl_1001560113.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1001560113.pdb or /var/tmp/from_scwrl_1001560113.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1001560113_b.pdb or decoys//var/tmp/from_scwrl_1001560113_b.pdb.gz for input Trying /var/tmp/from_scwrl_1001560113_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1001560113_b.pdb or /var/tmp/from_scwrl_1001560113_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1001560113_a.pdb or decoys//var/tmp/from_scwrl_1001560113_a.pdb.gz for input Trying /var/tmp/from_scwrl_1001560113_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1001560113_a.pdb or /var/tmp/from_scwrl_1001560113_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1001560113.pdb or /var/tmp/from_scwrl_1001560113_b.pdb or /var/tmp/from_scwrl_1001560113_a.pdb Error: no new SCWRL conformation added # naming current conformation RAPTOR_TS1-scwrl # ReadConformPDB reading from PDB file servers/RAPTOR_TS2.pdb.gz looking for model 1 # Found a chain break before 209 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS2 # request to SCWRL produces command: ulimit -t 216 ; scwrl3 -i /var/tmp/to_scwrl_1162611731.pdb -s /var/tmp/to_scwrl_1162611731.seq -o /var/tmp/from_scwrl_1162611731.pdb > /var/tmp/scwrl_1162611731.log sh: /var/tmp/scwrl_1162611731.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1162611731.pdb or /var/tmp/from_scwrl_1162611731.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1162611731_b.pdb or decoys//var/tmp/from_scwrl_1162611731_b.pdb.gz for input Trying /var/tmp/from_scwrl_1162611731_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1162611731_b.pdb or /var/tmp/from_scwrl_1162611731_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1162611731_a.pdb or decoys//var/tmp/from_scwrl_1162611731_a.pdb.gz for input Trying /var/tmp/from_scwrl_1162611731_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1162611731_a.pdb or /var/tmp/from_scwrl_1162611731_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1162611731.pdb or /var/tmp/from_scwrl_1162611731_b.pdb or /var/tmp/from_scwrl_1162611731_a.pdb Error: no new SCWRL conformation added # 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 212 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS3 # request to SCWRL produces command: ulimit -t 216 ; scwrl3 -i /var/tmp/to_scwrl_1738712528.pdb -s /var/tmp/to_scwrl_1738712528.seq -o /var/tmp/from_scwrl_1738712528.pdb > /var/tmp/scwrl_1738712528.log sh: /var/tmp/scwrl_1738712528.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1738712528.pdb or /var/tmp/from_scwrl_1738712528.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1738712528_b.pdb or decoys//var/tmp/from_scwrl_1738712528_b.pdb.gz for input Trying /var/tmp/from_scwrl_1738712528_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1738712528_b.pdb or /var/tmp/from_scwrl_1738712528_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1738712528_a.pdb or decoys//var/tmp/from_scwrl_1738712528_a.pdb.gz for input Trying /var/tmp/from_scwrl_1738712528_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1738712528_a.pdb or /var/tmp/from_scwrl_1738712528_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1738712528.pdb or /var/tmp/from_scwrl_1738712528_b.pdb or /var/tmp/from_scwrl_1738712528_a.pdb Error: no new SCWRL conformation added # 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 237 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS4 # request to SCWRL produces command: ulimit -t 216 ; scwrl3 -i /var/tmp/to_scwrl_1358706417.pdb -s /var/tmp/to_scwrl_1358706417.seq -o /var/tmp/from_scwrl_1358706417.pdb > /var/tmp/scwrl_1358706417.log sh: /var/tmp/scwrl_1358706417.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1358706417.pdb or /var/tmp/from_scwrl_1358706417.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1358706417_b.pdb or decoys//var/tmp/from_scwrl_1358706417_b.pdb.gz for input Trying /var/tmp/from_scwrl_1358706417_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1358706417_b.pdb or /var/tmp/from_scwrl_1358706417_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1358706417_a.pdb or decoys//var/tmp/from_scwrl_1358706417_a.pdb.gz for input Trying /var/tmp/from_scwrl_1358706417_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1358706417_a.pdb or /var/tmp/from_scwrl_1358706417_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1358706417.pdb or /var/tmp/from_scwrl_1358706417_b.pdb or /var/tmp/from_scwrl_1358706417_a.pdb Error: no new SCWRL conformation added # 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 214 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS5 # request to SCWRL produces command: ulimit -t 216 ; scwrl3 -i /var/tmp/to_scwrl_1497742730.pdb -s /var/tmp/to_scwrl_1497742730.seq -o /var/tmp/from_scwrl_1497742730.pdb > /var/tmp/scwrl_1497742730.log sh: /var/tmp/scwrl_1497742730.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1497742730.pdb or /var/tmp/from_scwrl_1497742730.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1497742730_b.pdb or decoys//var/tmp/from_scwrl_1497742730_b.pdb.gz for input Trying /var/tmp/from_scwrl_1497742730_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1497742730_b.pdb or /var/tmp/from_scwrl_1497742730_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1497742730_a.pdb or decoys//var/tmp/from_scwrl_1497742730_a.pdb.gz for input Trying /var/tmp/from_scwrl_1497742730_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1497742730_a.pdb or /var/tmp/from_scwrl_1497742730_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1497742730.pdb or /var/tmp/from_scwrl_1497742730_b.pdb or /var/tmp/from_scwrl_1497742730_a.pdb Error: no new SCWRL conformation added # naming current conformation RAPTOR_TS5-scwrl # ReadConformPDB reading from PDB file servers/ROBETTA_TS1.pdb.gz looking for model 1 # Found a chain break before 146 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS1 # request to SCWRL produces command: ulimit -t 216 ; scwrl3 -i /var/tmp/to_scwrl_1712020471.pdb -s /var/tmp/to_scwrl_1712020471.seq -o /var/tmp/from_scwrl_1712020471.pdb > /var/tmp/scwrl_1712020471.log sh: /var/tmp/scwrl_1712020471.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1712020471.pdb or /var/tmp/from_scwrl_1712020471.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1712020471_b.pdb or decoys//var/tmp/from_scwrl_1712020471_b.pdb.gz for input Trying /var/tmp/from_scwrl_1712020471_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1712020471_b.pdb or /var/tmp/from_scwrl_1712020471_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1712020471_a.pdb or decoys//var/tmp/from_scwrl_1712020471_a.pdb.gz for input Trying /var/tmp/from_scwrl_1712020471_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1712020471_a.pdb or /var/tmp/from_scwrl_1712020471_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1712020471.pdb or /var/tmp/from_scwrl_1712020471_b.pdb or /var/tmp/from_scwrl_1712020471_a.pdb Error: no new SCWRL conformation added # naming current conformation ROBETTA_TS1-scwrl # ReadConformPDB reading from PDB file servers/ROBETTA_TS2.pdb.gz looking for model 1 # Found a chain break before 193 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS2 # request to SCWRL produces command: ulimit -t 216 ; scwrl3 -i /var/tmp/to_scwrl_1773395057.pdb -s /var/tmp/to_scwrl_1773395057.seq -o /var/tmp/from_scwrl_1773395057.pdb > /var/tmp/scwrl_1773395057.log sh: /var/tmp/scwrl_1773395057.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1773395057.pdb or /var/tmp/from_scwrl_1773395057.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1773395057_b.pdb or decoys//var/tmp/from_scwrl_1773395057_b.pdb.gz for input Trying /var/tmp/from_scwrl_1773395057_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1773395057_b.pdb or /var/tmp/from_scwrl_1773395057_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1773395057_a.pdb or decoys//var/tmp/from_scwrl_1773395057_a.pdb.gz for input Trying /var/tmp/from_scwrl_1773395057_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1773395057_a.pdb or /var/tmp/from_scwrl_1773395057_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1773395057.pdb or /var/tmp/from_scwrl_1773395057_b.pdb or /var/tmp/from_scwrl_1773395057_a.pdb Error: no new SCWRL conformation added # naming current conformation ROBETTA_TS2-scwrl # ReadConformPDB reading from PDB file servers/ROBETTA_TS3.pdb.gz looking for model 1 # Found a chain break before 195 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS3 # request to SCWRL produces command: ulimit -t 216 ; scwrl3 -i /var/tmp/to_scwrl_2008653486.pdb -s /var/tmp/to_scwrl_2008653486.seq -o /var/tmp/from_scwrl_2008653486.pdb > /var/tmp/scwrl_2008653486.log sh: /var/tmp/scwrl_2008653486.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_2008653486.pdb or /var/tmp/from_scwrl_2008653486.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2008653486_b.pdb or decoys//var/tmp/from_scwrl_2008653486_b.pdb.gz for input Trying /var/tmp/from_scwrl_2008653486_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_2008653486_b.pdb or /var/tmp/from_scwrl_2008653486_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2008653486_a.pdb or decoys//var/tmp/from_scwrl_2008653486_a.pdb.gz for input Trying /var/tmp/from_scwrl_2008653486_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_2008653486_a.pdb or /var/tmp/from_scwrl_2008653486_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_2008653486.pdb or /var/tmp/from_scwrl_2008653486_b.pdb or /var/tmp/from_scwrl_2008653486_a.pdb Error: no new SCWRL conformation added # naming current conformation ROBETTA_TS3-scwrl # ReadConformPDB reading from PDB file servers/ROBETTA_TS4.pdb.gz looking for model 1 # Found a chain break before 211 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS4 # request to SCWRL produces command: ulimit -t 216 ; scwrl3 -i /var/tmp/to_scwrl_1223891536.pdb -s /var/tmp/to_scwrl_1223891536.seq -o /var/tmp/from_scwrl_1223891536.pdb > /var/tmp/scwrl_1223891536.log sh: /var/tmp/scwrl_1223891536.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1223891536.pdb or /var/tmp/from_scwrl_1223891536.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1223891536_b.pdb or decoys//var/tmp/from_scwrl_1223891536_b.pdb.gz for input Trying /var/tmp/from_scwrl_1223891536_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1223891536_b.pdb or /var/tmp/from_scwrl_1223891536_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1223891536_a.pdb or decoys//var/tmp/from_scwrl_1223891536_a.pdb.gz for input Trying /var/tmp/from_scwrl_1223891536_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1223891536_a.pdb or /var/tmp/from_scwrl_1223891536_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1223891536.pdb or /var/tmp/from_scwrl_1223891536_b.pdb or /var/tmp/from_scwrl_1223891536_a.pdb Error: no new SCWRL conformation added # naming current conformation ROBETTA_TS4-scwrl # ReadConformPDB reading from PDB file servers/ROBETTA_TS5.pdb.gz looking for model 1 # Found a chain break before 213 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS5 # request to SCWRL produces command: ulimit -t 216 ; scwrl3 -i /var/tmp/to_scwrl_2124766289.pdb -s /var/tmp/to_scwrl_2124766289.seq -o /var/tmp/from_scwrl_2124766289.pdb > /var/tmp/scwrl_2124766289.log sh: /var/tmp/scwrl_2124766289.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_2124766289.pdb or /var/tmp/from_scwrl_2124766289.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2124766289_b.pdb or decoys//var/tmp/from_scwrl_2124766289_b.pdb.gz for input Trying /var/tmp/from_scwrl_2124766289_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_2124766289_b.pdb or /var/tmp/from_scwrl_2124766289_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2124766289_a.pdb or decoys//var/tmp/from_scwrl_2124766289_a.pdb.gz for input Trying /var/tmp/from_scwrl_2124766289_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_2124766289_a.pdb or /var/tmp/from_scwrl_2124766289_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_2124766289.pdb or /var/tmp/from_scwrl_2124766289_b.pdb or /var/tmp/from_scwrl_2124766289_a.pdb Error: no new SCWRL conformation added # naming current conformation ROBETTA_TS5-scwrl # ReadConformPDB reading from PDB file servers/ROKKY_TS1.pdb.gz looking for model 1 # Found a chain break before 163 # copying to AlignedFragments data structure # naming current conformation ROKKY_TS1 # request to SCWRL produces command: ulimit -t 216 ; scwrl3 -i /var/tmp/to_scwrl_1968812918.pdb -s /var/tmp/to_scwrl_1968812918.seq -o /var/tmp/from_scwrl_1968812918.pdb > /var/tmp/scwrl_1968812918.log sh: /var/tmp/scwrl_1968812918.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1968812918.pdb or /var/tmp/from_scwrl_1968812918.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1968812918_b.pdb or decoys//var/tmp/from_scwrl_1968812918_b.pdb.gz for input Trying /var/tmp/from_scwrl_1968812918_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1968812918_b.pdb or /var/tmp/from_scwrl_1968812918_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1968812918_a.pdb or decoys//var/tmp/from_scwrl_1968812918_a.pdb.gz for input Trying /var/tmp/from_scwrl_1968812918_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1968812918_a.pdb or /var/tmp/from_scwrl_1968812918_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1968812918.pdb or /var/tmp/from_scwrl_1968812918_b.pdb or /var/tmp/from_scwrl_1968812918_a.pdb Error: no new SCWRL conformation added # naming current conformation ROKKY_TS1-scwrl # ReadConformPDB reading from PDB file servers/ROKKY_TS2.pdb.gz looking for model 1 # Found a chain break before 152 # copying to AlignedFragments data structure # naming current conformation ROKKY_TS2 # request to SCWRL produces command: ulimit -t 216 ; scwrl3 -i /var/tmp/to_scwrl_1496160727.pdb -s /var/tmp/to_scwrl_1496160727.seq -o /var/tmp/from_scwrl_1496160727.pdb > /var/tmp/scwrl_1496160727.log sh: /var/tmp/scwrl_1496160727.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1496160727.pdb or /var/tmp/from_scwrl_1496160727.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1496160727_b.pdb or decoys//var/tmp/from_scwrl_1496160727_b.pdb.gz for input Trying /var/tmp/from_scwrl_1496160727_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1496160727_b.pdb or /var/tmp/from_scwrl_1496160727_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1496160727_a.pdb or decoys//var/tmp/from_scwrl_1496160727_a.pdb.gz for input Trying /var/tmp/from_scwrl_1496160727_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1496160727_a.pdb or /var/tmp/from_scwrl_1496160727_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1496160727.pdb or /var/tmp/from_scwrl_1496160727_b.pdb or /var/tmp/from_scwrl_1496160727_a.pdb Error: no new SCWRL conformation added # naming current conformation ROKKY_TS2-scwrl # ReadConformPDB reading from PDB file servers/ROKKY_TS3.pdb.gz looking for model 1 # Found a chain break before 132 # copying to AlignedFragments data structure # naming current conformation ROKKY_TS3 # request to SCWRL produces command: ulimit -t 216 ; scwrl3 -i /var/tmp/to_scwrl_1440565640.pdb -s /var/tmp/to_scwrl_1440565640.seq -o /var/tmp/from_scwrl_1440565640.pdb > /var/tmp/scwrl_1440565640.log sh: /var/tmp/scwrl_1440565640.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1440565640.pdb or /var/tmp/from_scwrl_1440565640.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1440565640_b.pdb or decoys//var/tmp/from_scwrl_1440565640_b.pdb.gz for input Trying /var/tmp/from_scwrl_1440565640_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1440565640_b.pdb or /var/tmp/from_scwrl_1440565640_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1440565640_a.pdb or decoys//var/tmp/from_scwrl_1440565640_a.pdb.gz for input Trying /var/tmp/from_scwrl_1440565640_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1440565640_a.pdb or /var/tmp/from_scwrl_1440565640_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1440565640.pdb or /var/tmp/from_scwrl_1440565640_b.pdb or /var/tmp/from_scwrl_1440565640_a.pdb Error: no new SCWRL conformation added # naming current conformation ROKKY_TS3-scwrl # ReadConformPDB reading from PDB file servers/ROKKY_TS4.pdb.gz looking for model 1 # Found a chain break before 132 # copying to AlignedFragments data structure # naming current conformation ROKKY_TS4 # request to SCWRL produces command: ulimit -t 216 ; scwrl3 -i /var/tmp/to_scwrl_534099227.pdb -s /var/tmp/to_scwrl_534099227.seq -o /var/tmp/from_scwrl_534099227.pdb > /var/tmp/scwrl_534099227.log sh: /var/tmp/scwrl_534099227.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_534099227.pdb or /var/tmp/from_scwrl_534099227.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_534099227_b.pdb or decoys//var/tmp/from_scwrl_534099227_b.pdb.gz for input Trying /var/tmp/from_scwrl_534099227_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_534099227_b.pdb or /var/tmp/from_scwrl_534099227_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_534099227_a.pdb or decoys//var/tmp/from_scwrl_534099227_a.pdb.gz for input Trying /var/tmp/from_scwrl_534099227_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_534099227_a.pdb or /var/tmp/from_scwrl_534099227_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_534099227.pdb or /var/tmp/from_scwrl_534099227_b.pdb or /var/tmp/from_scwrl_534099227_a.pdb Error: no new SCWRL conformation added # naming current conformation ROKKY_TS4-scwrl # ReadConformPDB reading from PDB file servers/ROKKY_TS5.pdb.gz looking for model 1 # Found a chain break before 113 # copying to AlignedFragments data structure # naming current conformation ROKKY_TS5 # request to SCWRL produces command: ulimit -t 216 ; scwrl3 -i /var/tmp/to_scwrl_1280151914.pdb -s /var/tmp/to_scwrl_1280151914.seq -o /var/tmp/from_scwrl_1280151914.pdb > /var/tmp/scwrl_1280151914.log sh: /var/tmp/scwrl_1280151914.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1280151914.pdb or /var/tmp/from_scwrl_1280151914.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1280151914_b.pdb or decoys//var/tmp/from_scwrl_1280151914_b.pdb.gz for input Trying /var/tmp/from_scwrl_1280151914_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1280151914_b.pdb or /var/tmp/from_scwrl_1280151914_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1280151914_a.pdb or decoys//var/tmp/from_scwrl_1280151914_a.pdb.gz for input Trying /var/tmp/from_scwrl_1280151914_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1280151914_a.pdb or /var/tmp/from_scwrl_1280151914_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1280151914.pdb or /var/tmp/from_scwrl_1280151914_b.pdb or /var/tmp/from_scwrl_1280151914_a.pdb Error: no new SCWRL conformation added # naming current conformation ROKKY_TS5-scwrl # ReadConformPDB reading from PDB file servers/SAM-T02_AL1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0329 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL1 # request to SCWRL produces command: ulimit -t 216 ; scwrl3 -i /var/tmp/to_scwrl_126798559.pdb -s /var/tmp/to_scwrl_126798559.seq -o /var/tmp/from_scwrl_126798559.pdb > /var/tmp/scwrl_126798559.log sh: /var/tmp/scwrl_126798559.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_126798559.pdb or /var/tmp/from_scwrl_126798559.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_126798559_b.pdb or decoys//var/tmp/from_scwrl_126798559_b.pdb.gz for input Trying /var/tmp/from_scwrl_126798559_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_126798559_b.pdb or /var/tmp/from_scwrl_126798559_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_126798559_a.pdb or decoys//var/tmp/from_scwrl_126798559_a.pdb.gz for input Trying /var/tmp/from_scwrl_126798559_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_126798559_a.pdb or /var/tmp/from_scwrl_126798559_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_126798559.pdb or /var/tmp/from_scwrl_126798559_b.pdb or /var/tmp/from_scwrl_126798559_a.pdb Error: no new SCWRL conformation added # 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 T0329 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL2 # request to SCWRL produces command: ulimit -t 216 ; scwrl3 -i /var/tmp/to_scwrl_1339558056.pdb -s /var/tmp/to_scwrl_1339558056.seq -o /var/tmp/from_scwrl_1339558056.pdb > /var/tmp/scwrl_1339558056.log sh: /var/tmp/scwrl_1339558056.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1339558056.pdb or /var/tmp/from_scwrl_1339558056.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1339558056_b.pdb or decoys//var/tmp/from_scwrl_1339558056_b.pdb.gz for input Trying /var/tmp/from_scwrl_1339558056_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1339558056_b.pdb or /var/tmp/from_scwrl_1339558056_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1339558056_a.pdb or decoys//var/tmp/from_scwrl_1339558056_a.pdb.gz for input Trying /var/tmp/from_scwrl_1339558056_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1339558056_a.pdb or /var/tmp/from_scwrl_1339558056_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1339558056.pdb or /var/tmp/from_scwrl_1339558056_b.pdb or /var/tmp/from_scwrl_1339558056_a.pdb Error: no new SCWRL conformation added # 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 T0329 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL3 # request to SCWRL produces command: ulimit -t 216 ; scwrl3 -i /var/tmp/to_scwrl_1604014754.pdb -s /var/tmp/to_scwrl_1604014754.seq -o /var/tmp/from_scwrl_1604014754.pdb > /var/tmp/scwrl_1604014754.log sh: /var/tmp/scwrl_1604014754.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1604014754.pdb or /var/tmp/from_scwrl_1604014754.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1604014754_b.pdb or decoys//var/tmp/from_scwrl_1604014754_b.pdb.gz for input Trying /var/tmp/from_scwrl_1604014754_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1604014754_b.pdb or /var/tmp/from_scwrl_1604014754_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1604014754_a.pdb or decoys//var/tmp/from_scwrl_1604014754_a.pdb.gz for input Trying /var/tmp/from_scwrl_1604014754_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1604014754_a.pdb or /var/tmp/from_scwrl_1604014754_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1604014754.pdb or /var/tmp/from_scwrl_1604014754_b.pdb or /var/tmp/from_scwrl_1604014754_a.pdb Error: no new SCWRL conformation added # 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 T0329 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL4 # request to SCWRL produces command: ulimit -t 216 ; scwrl3 -i /var/tmp/to_scwrl_684181266.pdb -s /var/tmp/to_scwrl_684181266.seq -o /var/tmp/from_scwrl_684181266.pdb > /var/tmp/scwrl_684181266.log sh: /var/tmp/scwrl_684181266.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_684181266.pdb or /var/tmp/from_scwrl_684181266.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_684181266_b.pdb or decoys//var/tmp/from_scwrl_684181266_b.pdb.gz for input Trying /var/tmp/from_scwrl_684181266_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_684181266_b.pdb or /var/tmp/from_scwrl_684181266_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_684181266_a.pdb or decoys//var/tmp/from_scwrl_684181266_a.pdb.gz for input Trying /var/tmp/from_scwrl_684181266_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_684181266_a.pdb or /var/tmp/from_scwrl_684181266_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_684181266.pdb or /var/tmp/from_scwrl_684181266_b.pdb or /var/tmp/from_scwrl_684181266_a.pdb Error: no new SCWRL conformation added # naming current conformation SAM-T02_AL4-scwrl # ReadConformPDB reading from PDB file servers/SAM-T02_AL5.pdb.gz looking for model 1 Skipped atom 11, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL5.pdb.gz Skipped atom 376, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL5.pdb.gz # WARNING: incomplete conformation T0329 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL5 # request to SCWRL produces command: ulimit -t 216 ; scwrl3 -i /var/tmp/to_scwrl_1310266320.pdb -s /var/tmp/to_scwrl_1310266320.seq -o /var/tmp/from_scwrl_1310266320.pdb > /var/tmp/scwrl_1310266320.log sh: /var/tmp/scwrl_1310266320.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1310266320.pdb or /var/tmp/from_scwrl_1310266320.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1310266320_b.pdb or decoys//var/tmp/from_scwrl_1310266320_b.pdb.gz for input Trying /var/tmp/from_scwrl_1310266320_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1310266320_b.pdb or /var/tmp/from_scwrl_1310266320_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1310266320_a.pdb or decoys//var/tmp/from_scwrl_1310266320_a.pdb.gz for input Trying /var/tmp/from_scwrl_1310266320_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1310266320_a.pdb or /var/tmp/from_scwrl_1310266320_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1310266320.pdb or /var/tmp/from_scwrl_1310266320_b.pdb or /var/tmp/from_scwrl_1310266320_a.pdb Error: no new SCWRL conformation added # naming current conformation SAM-T02_AL5-scwrl # ReadConformPDB reading from PDB file servers/SAM-T99_AL1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0329 can't currently be optimized by undertaker # naming current conformation SAM-T99_AL1 # request to SCWRL produces command: ulimit -t 216 ; scwrl3 -i /var/tmp/to_scwrl_175627894.pdb -s /var/tmp/to_scwrl_175627894.seq -o /var/tmp/from_scwrl_175627894.pdb > /var/tmp/scwrl_175627894.log sh: /var/tmp/scwrl_175627894.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_175627894.pdb or /var/tmp/from_scwrl_175627894.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_175627894_b.pdb or decoys//var/tmp/from_scwrl_175627894_b.pdb.gz for input Trying /var/tmp/from_scwrl_175627894_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_175627894_b.pdb or /var/tmp/from_scwrl_175627894_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_175627894_a.pdb or decoys//var/tmp/from_scwrl_175627894_a.pdb.gz for input Trying /var/tmp/from_scwrl_175627894_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_175627894_a.pdb or /var/tmp/from_scwrl_175627894_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_175627894.pdb or /var/tmp/from_scwrl_175627894_b.pdb or /var/tmp/from_scwrl_175627894_a.pdb Error: no new SCWRL conformation added # naming current conformation SAM-T99_AL1-scwrl # ReadConformPDB reading from PDB file servers/SAM-T99_AL2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0329 can't currently be optimized by undertaker # naming current conformation SAM-T99_AL2 # request to SCWRL produces command: ulimit -t 216 ; scwrl3 -i /var/tmp/to_scwrl_447569903.pdb -s /var/tmp/to_scwrl_447569903.seq -o /var/tmp/from_scwrl_447569903.pdb > /var/tmp/scwrl_447569903.log sh: /var/tmp/scwrl_447569903.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_447569903.pdb or /var/tmp/from_scwrl_447569903.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_447569903_b.pdb or decoys//var/tmp/from_scwrl_447569903_b.pdb.gz for input Trying /var/tmp/from_scwrl_447569903_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_447569903_b.pdb or /var/tmp/from_scwrl_447569903_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_447569903_a.pdb or decoys//var/tmp/from_scwrl_447569903_a.pdb.gz for input Trying /var/tmp/from_scwrl_447569903_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_447569903_a.pdb or /var/tmp/from_scwrl_447569903_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_447569903.pdb or /var/tmp/from_scwrl_447569903_b.pdb or /var/tmp/from_scwrl_447569903_a.pdb Error: no new SCWRL conformation added # naming current conformation SAM-T99_AL2-scwrl # ReadConformPDB reading from PDB file servers/SAM-T99_AL3.pdb.gz looking for model 1 Skipped atom 11, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL3.pdb.gz Skipped atom 376, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL3.pdb.gz # WARNING: incomplete conformation T0329 can't currently be optimized by undertaker # naming current conformation SAM-T99_AL3 # request to SCWRL produces command: ulimit -t 216 ; scwrl3 -i /var/tmp/to_scwrl_226398713.pdb -s /var/tmp/to_scwrl_226398713.seq -o /var/tmp/from_scwrl_226398713.pdb > /var/tmp/scwrl_226398713.log sh: /var/tmp/scwrl_226398713.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_226398713.pdb or /var/tmp/from_scwrl_226398713.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_226398713_b.pdb or decoys//var/tmp/from_scwrl_226398713_b.pdb.gz for input Trying /var/tmp/from_scwrl_226398713_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_226398713_b.pdb or /var/tmp/from_scwrl_226398713_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_226398713_a.pdb or decoys//var/tmp/from_scwrl_226398713_a.pdb.gz for input Trying /var/tmp/from_scwrl_226398713_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_226398713_a.pdb or /var/tmp/from_scwrl_226398713_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_226398713.pdb or /var/tmp/from_scwrl_226398713_b.pdb or /var/tmp/from_scwrl_226398713_a.pdb Error: no new SCWRL conformation added # naming current conformation SAM-T99_AL3-scwrl # ReadConformPDB reading from PDB file servers/SAM-T99_AL4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0329 can't currently be optimized by undertaker # naming current conformation SAM-T99_AL4 # request to SCWRL produces command: ulimit -t 216 ; scwrl3 -i /var/tmp/to_scwrl_1994536973.pdb -s /var/tmp/to_scwrl_1994536973.seq -o /var/tmp/from_scwrl_1994536973.pdb > /var/tmp/scwrl_1994536973.log sh: /var/tmp/scwrl_1994536973.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1994536973.pdb or /var/tmp/from_scwrl_1994536973.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1994536973_b.pdb or decoys//var/tmp/from_scwrl_1994536973_b.pdb.gz for input Trying /var/tmp/from_scwrl_1994536973_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1994536973_b.pdb or /var/tmp/from_scwrl_1994536973_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1994536973_a.pdb or decoys//var/tmp/from_scwrl_1994536973_a.pdb.gz for input Trying /var/tmp/from_scwrl_1994536973_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1994536973_a.pdb or /var/tmp/from_scwrl_1994536973_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1994536973.pdb or /var/tmp/from_scwrl_1994536973_b.pdb or /var/tmp/from_scwrl_1994536973_a.pdb Error: no new SCWRL conformation added # naming current conformation SAM-T99_AL4-scwrl # ReadConformPDB reading from PDB file servers/SAM-T99_AL5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0329 can't currently be optimized by undertaker # naming current conformation SAM-T99_AL5 # request to SCWRL produces command: ulimit -t 216 ; scwrl3 -i /var/tmp/to_scwrl_1687672772.pdb -s /var/tmp/to_scwrl_1687672772.seq -o /var/tmp/from_scwrl_1687672772.pdb > /var/tmp/scwrl_1687672772.log sh: /var/tmp/scwrl_1687672772.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1687672772.pdb or /var/tmp/from_scwrl_1687672772.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1687672772_b.pdb or decoys//var/tmp/from_scwrl_1687672772_b.pdb.gz for input Trying /var/tmp/from_scwrl_1687672772_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1687672772_b.pdb or /var/tmp/from_scwrl_1687672772_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1687672772_a.pdb or decoys//var/tmp/from_scwrl_1687672772_a.pdb.gz for input Trying /var/tmp/from_scwrl_1687672772_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1687672772_a.pdb or /var/tmp/from_scwrl_1687672772_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1687672772.pdb or /var/tmp/from_scwrl_1687672772_b.pdb or /var/tmp/from_scwrl_1687672772_a.pdb Error: no new SCWRL conformation added # naming current conformation SAM-T99_AL5-scwrl # ReadConformPDB reading from PDB file servers/SAM_T06_server_TS1.pdb.gz looking for model 1 # Found a chain break before 230 # copying to AlignedFragments data structure # naming current conformation SAM_T06_server_TS1 # request to SCWRL produces command: ulimit -t 216 ; scwrl3 -i /var/tmp/to_scwrl_1955833628.pdb -s /var/tmp/to_scwrl_1955833628.seq -o /var/tmp/from_scwrl_1955833628.pdb > /var/tmp/scwrl_1955833628.log sh: /var/tmp/scwrl_1955833628.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1955833628.pdb or /var/tmp/from_scwrl_1955833628.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1955833628_b.pdb or decoys//var/tmp/from_scwrl_1955833628_b.pdb.gz for input Trying /var/tmp/from_scwrl_1955833628_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1955833628_b.pdb or /var/tmp/from_scwrl_1955833628_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1955833628_a.pdb or decoys//var/tmp/from_scwrl_1955833628_a.pdb.gz for input Trying /var/tmp/from_scwrl_1955833628_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1955833628_a.pdb or /var/tmp/from_scwrl_1955833628_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1955833628.pdb or /var/tmp/from_scwrl_1955833628_b.pdb or /var/tmp/from_scwrl_1955833628_a.pdb Error: no new SCWRL conformation added # 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 T0329 can't currently be optimized by undertaker # naming current conformation SAM_T06_server_TS2 # request to SCWRL produces command: ulimit -t 216 ; scwrl3 -i /var/tmp/to_scwrl_1752469345.pdb -s /var/tmp/to_scwrl_1752469345.seq -o /var/tmp/from_scwrl_1752469345.pdb > /var/tmp/scwrl_1752469345.log sh: /var/tmp/scwrl_1752469345.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1752469345.pdb or /var/tmp/from_scwrl_1752469345.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1752469345_b.pdb or decoys//var/tmp/from_scwrl_1752469345_b.pdb.gz for input Trying /var/tmp/from_scwrl_1752469345_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1752469345_b.pdb or /var/tmp/from_scwrl_1752469345_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1752469345_a.pdb or decoys//var/tmp/from_scwrl_1752469345_a.pdb.gz for input Trying /var/tmp/from_scwrl_1752469345_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1752469345_a.pdb or /var/tmp/from_scwrl_1752469345_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1752469345.pdb or /var/tmp/from_scwrl_1752469345_b.pdb or /var/tmp/from_scwrl_1752469345_a.pdb Error: no new SCWRL conformation added # 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 T0329 can't currently be optimized by undertaker # naming current conformation SAM_T06_server_TS3 # request to SCWRL produces command: ulimit -t 216 ; scwrl3 -i /var/tmp/to_scwrl_1890025894.pdb -s /var/tmp/to_scwrl_1890025894.seq -o /var/tmp/from_scwrl_1890025894.pdb > /var/tmp/scwrl_1890025894.log sh: /var/tmp/scwrl_1890025894.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1890025894.pdb or /var/tmp/from_scwrl_1890025894.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1890025894_b.pdb or decoys//var/tmp/from_scwrl_1890025894_b.pdb.gz for input Trying /var/tmp/from_scwrl_1890025894_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1890025894_b.pdb or /var/tmp/from_scwrl_1890025894_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1890025894_a.pdb or decoys//var/tmp/from_scwrl_1890025894_a.pdb.gz for input Trying /var/tmp/from_scwrl_1890025894_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1890025894_a.pdb or /var/tmp/from_scwrl_1890025894_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1890025894.pdb or /var/tmp/from_scwrl_1890025894_b.pdb or /var/tmp/from_scwrl_1890025894_a.pdb Error: no new SCWRL conformation added # 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 T0329 can't currently be optimized by undertaker # naming current conformation SAM_T06_server_TS4 # request to SCWRL produces command: ulimit -t 216 ; scwrl3 -i /var/tmp/to_scwrl_1618499250.pdb -s /var/tmp/to_scwrl_1618499250.seq -o /var/tmp/from_scwrl_1618499250.pdb > /var/tmp/scwrl_1618499250.log sh: /var/tmp/scwrl_1618499250.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1618499250.pdb or /var/tmp/from_scwrl_1618499250.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1618499250_b.pdb or decoys//var/tmp/from_scwrl_1618499250_b.pdb.gz for input Trying /var/tmp/from_scwrl_1618499250_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1618499250_b.pdb or /var/tmp/from_scwrl_1618499250_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1618499250_a.pdb or decoys//var/tmp/from_scwrl_1618499250_a.pdb.gz for input Trying /var/tmp/from_scwrl_1618499250_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1618499250_a.pdb or /var/tmp/from_scwrl_1618499250_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1618499250.pdb or /var/tmp/from_scwrl_1618499250_b.pdb or /var/tmp/from_scwrl_1618499250_a.pdb Error: no new SCWRL conformation added # 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 T0329 can't currently be optimized by undertaker # naming current conformation SAM_T06_server_TS5 # request to SCWRL produces command: ulimit -t 216 ; scwrl3 -i /var/tmp/to_scwrl_1990275425.pdb -s /var/tmp/to_scwrl_1990275425.seq -o /var/tmp/from_scwrl_1990275425.pdb > /var/tmp/scwrl_1990275425.log sh: /var/tmp/scwrl_1990275425.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1990275425.pdb or /var/tmp/from_scwrl_1990275425.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1990275425_b.pdb or decoys//var/tmp/from_scwrl_1990275425_b.pdb.gz for input Trying /var/tmp/from_scwrl_1990275425_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1990275425_b.pdb or /var/tmp/from_scwrl_1990275425_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1990275425_a.pdb or decoys//var/tmp/from_scwrl_1990275425_a.pdb.gz for input Trying /var/tmp/from_scwrl_1990275425_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1990275425_a.pdb or /var/tmp/from_scwrl_1990275425_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1990275425.pdb or /var/tmp/from_scwrl_1990275425_b.pdb or /var/tmp/from_scwrl_1990275425_a.pdb Error: no new SCWRL conformation added # 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 164 # copying to AlignedFragments data structure # naming current conformation SP3_TS1 # request to SCWRL produces command: ulimit -t 216 ; scwrl3 -i /var/tmp/to_scwrl_1798901598.pdb -s /var/tmp/to_scwrl_1798901598.seq -o /var/tmp/from_scwrl_1798901598.pdb > /var/tmp/scwrl_1798901598.log sh: /var/tmp/scwrl_1798901598.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1798901598.pdb or /var/tmp/from_scwrl_1798901598.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1798901598_b.pdb or decoys//var/tmp/from_scwrl_1798901598_b.pdb.gz for input Trying /var/tmp/from_scwrl_1798901598_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1798901598_b.pdb or /var/tmp/from_scwrl_1798901598_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1798901598_a.pdb or decoys//var/tmp/from_scwrl_1798901598_a.pdb.gz for input Trying /var/tmp/from_scwrl_1798901598_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1798901598_a.pdb or /var/tmp/from_scwrl_1798901598_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1798901598.pdb or /var/tmp/from_scwrl_1798901598_b.pdb or /var/tmp/from_scwrl_1798901598_a.pdb Error: no new SCWRL conformation added # naming current conformation SP3_TS1-scwrl # ReadConformPDB reading from PDB file servers/SP3_TS2.pdb.gz looking for model 1 # Found a chain break before 164 # copying to AlignedFragments data structure # naming current conformation SP3_TS2 # request to SCWRL produces command: ulimit -t 216 ; scwrl3 -i /var/tmp/to_scwrl_472575716.pdb -s /var/tmp/to_scwrl_472575716.seq -o /var/tmp/from_scwrl_472575716.pdb > /var/tmp/scwrl_472575716.log sh: /var/tmp/scwrl_472575716.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_472575716.pdb or /var/tmp/from_scwrl_472575716.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_472575716_b.pdb or decoys//var/tmp/from_scwrl_472575716_b.pdb.gz for input Trying /var/tmp/from_scwrl_472575716_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_472575716_b.pdb or /var/tmp/from_scwrl_472575716_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_472575716_a.pdb or decoys//var/tmp/from_scwrl_472575716_a.pdb.gz for input Trying /var/tmp/from_scwrl_472575716_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_472575716_a.pdb or /var/tmp/from_scwrl_472575716_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_472575716.pdb or /var/tmp/from_scwrl_472575716_b.pdb or /var/tmp/from_scwrl_472575716_a.pdb Error: no new SCWRL conformation added # 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 149 # copying to AlignedFragments data structure # naming current conformation SP3_TS3 # request to SCWRL produces command: ulimit -t 216 ; scwrl3 -i /var/tmp/to_scwrl_1005403510.pdb -s /var/tmp/to_scwrl_1005403510.seq -o /var/tmp/from_scwrl_1005403510.pdb > /var/tmp/scwrl_1005403510.log sh: /var/tmp/scwrl_1005403510.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1005403510.pdb or /var/tmp/from_scwrl_1005403510.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1005403510_b.pdb or decoys//var/tmp/from_scwrl_1005403510_b.pdb.gz for input Trying /var/tmp/from_scwrl_1005403510_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1005403510_b.pdb or /var/tmp/from_scwrl_1005403510_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1005403510_a.pdb or decoys//var/tmp/from_scwrl_1005403510_a.pdb.gz for input Trying /var/tmp/from_scwrl_1005403510_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1005403510_a.pdb or /var/tmp/from_scwrl_1005403510_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1005403510.pdb or /var/tmp/from_scwrl_1005403510_b.pdb or /var/tmp/from_scwrl_1005403510_a.pdb Error: no new SCWRL conformation added # naming current conformation SP3_TS3-scwrl # ReadConformPDB reading from PDB file servers/SP3_TS4.pdb.gz looking for model 1 # Found a chain break before 60 # copying to AlignedFragments data structure # naming current conformation SP3_TS4 # request to SCWRL produces command: ulimit -t 216 ; scwrl3 -i /var/tmp/to_scwrl_1390130479.pdb -s /var/tmp/to_scwrl_1390130479.seq -o /var/tmp/from_scwrl_1390130479.pdb > /var/tmp/scwrl_1390130479.log sh: /var/tmp/scwrl_1390130479.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1390130479.pdb or /var/tmp/from_scwrl_1390130479.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1390130479_b.pdb or decoys//var/tmp/from_scwrl_1390130479_b.pdb.gz for input Trying /var/tmp/from_scwrl_1390130479_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1390130479_b.pdb or /var/tmp/from_scwrl_1390130479_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1390130479_a.pdb or decoys//var/tmp/from_scwrl_1390130479_a.pdb.gz for input Trying /var/tmp/from_scwrl_1390130479_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1390130479_a.pdb or /var/tmp/from_scwrl_1390130479_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1390130479.pdb or /var/tmp/from_scwrl_1390130479_b.pdb or /var/tmp/from_scwrl_1390130479_a.pdb Error: no new SCWRL conformation added # 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 184 # copying to AlignedFragments data structure # naming current conformation SP3_TS5 # request to SCWRL produces command: ulimit -t 216 ; scwrl3 -i /var/tmp/to_scwrl_1831282134.pdb -s /var/tmp/to_scwrl_1831282134.seq -o /var/tmp/from_scwrl_1831282134.pdb > /var/tmp/scwrl_1831282134.log sh: /var/tmp/scwrl_1831282134.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1831282134.pdb or /var/tmp/from_scwrl_1831282134.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1831282134_b.pdb or decoys//var/tmp/from_scwrl_1831282134_b.pdb.gz for input Trying /var/tmp/from_scwrl_1831282134_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1831282134_b.pdb or /var/tmp/from_scwrl_1831282134_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1831282134_a.pdb or decoys//var/tmp/from_scwrl_1831282134_a.pdb.gz for input Trying /var/tmp/from_scwrl_1831282134_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1831282134_a.pdb or /var/tmp/from_scwrl_1831282134_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1831282134.pdb or /var/tmp/from_scwrl_1831282134_b.pdb or /var/tmp/from_scwrl_1831282134_a.pdb Error: no new SCWRL conformation added # 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 150 # copying to AlignedFragments data structure # naming current conformation SP4_TS1 # request to SCWRL produces command: ulimit -t 216 ; scwrl3 -i /var/tmp/to_scwrl_355662594.pdb -s /var/tmp/to_scwrl_355662594.seq -o /var/tmp/from_scwrl_355662594.pdb > /var/tmp/scwrl_355662594.log sh: /var/tmp/scwrl_355662594.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_355662594.pdb or /var/tmp/from_scwrl_355662594.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_355662594_b.pdb or decoys//var/tmp/from_scwrl_355662594_b.pdb.gz for input Trying /var/tmp/from_scwrl_355662594_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_355662594_b.pdb or /var/tmp/from_scwrl_355662594_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_355662594_a.pdb or decoys//var/tmp/from_scwrl_355662594_a.pdb.gz for input Trying /var/tmp/from_scwrl_355662594_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_355662594_a.pdb or /var/tmp/from_scwrl_355662594_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_355662594.pdb or /var/tmp/from_scwrl_355662594_b.pdb or /var/tmp/from_scwrl_355662594_a.pdb Error: no new SCWRL conformation added # naming current conformation SP4_TS1-scwrl # ReadConformPDB reading from PDB file servers/SP4_TS2.pdb.gz looking for model 1 # Found a chain break before 188 # copying to AlignedFragments data structure # naming current conformation SP4_TS2 # request to SCWRL produces command: ulimit -t 216 ; scwrl3 -i /var/tmp/to_scwrl_954667304.pdb -s /var/tmp/to_scwrl_954667304.seq -o /var/tmp/from_scwrl_954667304.pdb > /var/tmp/scwrl_954667304.log sh: /var/tmp/scwrl_954667304.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_954667304.pdb or /var/tmp/from_scwrl_954667304.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_954667304_b.pdb or decoys//var/tmp/from_scwrl_954667304_b.pdb.gz for input Trying /var/tmp/from_scwrl_954667304_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_954667304_b.pdb or /var/tmp/from_scwrl_954667304_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_954667304_a.pdb or decoys//var/tmp/from_scwrl_954667304_a.pdb.gz for input Trying /var/tmp/from_scwrl_954667304_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_954667304_a.pdb or /var/tmp/from_scwrl_954667304_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_954667304.pdb or /var/tmp/from_scwrl_954667304_b.pdb or /var/tmp/from_scwrl_954667304_a.pdb Error: no new SCWRL conformation added # naming current conformation SP4_TS2-scwrl # ReadConformPDB reading from PDB file servers/SP4_TS3.pdb.gz looking for model 1 # Found a chain break before 60 # copying to AlignedFragments data structure # naming current conformation SP4_TS3 # request to SCWRL produces command: ulimit -t 216 ; scwrl3 -i /var/tmp/to_scwrl_1457193544.pdb -s /var/tmp/to_scwrl_1457193544.seq -o /var/tmp/from_scwrl_1457193544.pdb > /var/tmp/scwrl_1457193544.log sh: /var/tmp/scwrl_1457193544.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1457193544.pdb or /var/tmp/from_scwrl_1457193544.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1457193544_b.pdb or decoys//var/tmp/from_scwrl_1457193544_b.pdb.gz for input Trying /var/tmp/from_scwrl_1457193544_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1457193544_b.pdb or /var/tmp/from_scwrl_1457193544_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1457193544_a.pdb or decoys//var/tmp/from_scwrl_1457193544_a.pdb.gz for input Trying /var/tmp/from_scwrl_1457193544_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1457193544_a.pdb or /var/tmp/from_scwrl_1457193544_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1457193544.pdb or /var/tmp/from_scwrl_1457193544_b.pdb or /var/tmp/from_scwrl_1457193544_a.pdb Error: no new SCWRL conformation added # 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 216 ; scwrl3 -i /var/tmp/to_scwrl_216832433.pdb -s /var/tmp/to_scwrl_216832433.seq -o /var/tmp/from_scwrl_216832433.pdb > /var/tmp/scwrl_216832433.log sh: /var/tmp/scwrl_216832433.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_216832433.pdb or /var/tmp/from_scwrl_216832433.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_216832433_b.pdb or decoys//var/tmp/from_scwrl_216832433_b.pdb.gz for input Trying /var/tmp/from_scwrl_216832433_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_216832433_b.pdb or /var/tmp/from_scwrl_216832433_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_216832433_a.pdb or decoys//var/tmp/from_scwrl_216832433_a.pdb.gz for input Trying /var/tmp/from_scwrl_216832433_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_216832433_a.pdb or /var/tmp/from_scwrl_216832433_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_216832433.pdb or /var/tmp/from_scwrl_216832433_b.pdb or /var/tmp/from_scwrl_216832433_a.pdb Error: no new SCWRL conformation added # 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 183 # copying to AlignedFragments data structure # naming current conformation SP4_TS5 # request to SCWRL produces command: ulimit -t 216 ; scwrl3 -i /var/tmp/to_scwrl_31075193.pdb -s /var/tmp/to_scwrl_31075193.seq -o /var/tmp/from_scwrl_31075193.pdb > /var/tmp/scwrl_31075193.log sh: /var/tmp/scwrl_31075193.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_31075193.pdb or /var/tmp/from_scwrl_31075193.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_31075193_b.pdb or decoys//var/tmp/from_scwrl_31075193_b.pdb.gz for input Trying /var/tmp/from_scwrl_31075193_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_31075193_b.pdb or /var/tmp/from_scwrl_31075193_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_31075193_a.pdb or decoys//var/tmp/from_scwrl_31075193_a.pdb.gz for input Trying /var/tmp/from_scwrl_31075193_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_31075193_a.pdb or /var/tmp/from_scwrl_31075193_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_31075193.pdb or /var/tmp/from_scwrl_31075193_b.pdb or /var/tmp/from_scwrl_31075193_a.pdb Error: no new SCWRL conformation added # 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 141 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS1 # request to SCWRL produces command: ulimit -t 216 ; scwrl3 -i /var/tmp/to_scwrl_1434476186.pdb -s /var/tmp/to_scwrl_1434476186.seq -o /var/tmp/from_scwrl_1434476186.pdb > /var/tmp/scwrl_1434476186.log sh: /var/tmp/scwrl_1434476186.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1434476186.pdb or /var/tmp/from_scwrl_1434476186.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1434476186_b.pdb or decoys//var/tmp/from_scwrl_1434476186_b.pdb.gz for input Trying /var/tmp/from_scwrl_1434476186_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1434476186_b.pdb or /var/tmp/from_scwrl_1434476186_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1434476186_a.pdb or decoys//var/tmp/from_scwrl_1434476186_a.pdb.gz for input Trying /var/tmp/from_scwrl_1434476186_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1434476186_a.pdb or /var/tmp/from_scwrl_1434476186_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1434476186.pdb or /var/tmp/from_scwrl_1434476186_b.pdb or /var/tmp/from_scwrl_1434476186_a.pdb Error: no new SCWRL conformation added # naming current conformation SPARKS2_TS1-scwrl # ReadConformPDB reading from PDB file servers/SPARKS2_TS2.pdb.gz looking for model 1 # Found a chain break before 102 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS2 # request to SCWRL produces command: ulimit -t 216 ; scwrl3 -i /var/tmp/to_scwrl_38161704.pdb -s /var/tmp/to_scwrl_38161704.seq -o /var/tmp/from_scwrl_38161704.pdb > /var/tmp/scwrl_38161704.log sh: /var/tmp/scwrl_38161704.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_38161704.pdb or /var/tmp/from_scwrl_38161704.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_38161704_b.pdb or decoys//var/tmp/from_scwrl_38161704_b.pdb.gz for input Trying /var/tmp/from_scwrl_38161704_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_38161704_b.pdb or /var/tmp/from_scwrl_38161704_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_38161704_a.pdb or decoys//var/tmp/from_scwrl_38161704_a.pdb.gz for input Trying /var/tmp/from_scwrl_38161704_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_38161704_a.pdb or /var/tmp/from_scwrl_38161704_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_38161704.pdb or /var/tmp/from_scwrl_38161704_b.pdb or /var/tmp/from_scwrl_38161704_a.pdb Error: no new SCWRL conformation added # naming current conformation SPARKS2_TS2-scwrl # ReadConformPDB reading from PDB file servers/SPARKS2_TS3.pdb.gz looking for model 1 # Found a chain break before 184 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS3 # request to SCWRL produces command: ulimit -t 216 ; scwrl3 -i /var/tmp/to_scwrl_1527235921.pdb -s /var/tmp/to_scwrl_1527235921.seq -o /var/tmp/from_scwrl_1527235921.pdb > /var/tmp/scwrl_1527235921.log sh: /var/tmp/scwrl_1527235921.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1527235921.pdb or /var/tmp/from_scwrl_1527235921.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1527235921_b.pdb or decoys//var/tmp/from_scwrl_1527235921_b.pdb.gz for input Trying /var/tmp/from_scwrl_1527235921_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1527235921_b.pdb or /var/tmp/from_scwrl_1527235921_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1527235921_a.pdb or decoys//var/tmp/from_scwrl_1527235921_a.pdb.gz for input Trying /var/tmp/from_scwrl_1527235921_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1527235921_a.pdb or /var/tmp/from_scwrl_1527235921_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1527235921.pdb or /var/tmp/from_scwrl_1527235921_b.pdb or /var/tmp/from_scwrl_1527235921_a.pdb Error: no new SCWRL conformation added # 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 190 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS4 # request to SCWRL produces command: ulimit -t 216 ; scwrl3 -i /var/tmp/to_scwrl_727558181.pdb -s /var/tmp/to_scwrl_727558181.seq -o /var/tmp/from_scwrl_727558181.pdb > /var/tmp/scwrl_727558181.log sh: /var/tmp/scwrl_727558181.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_727558181.pdb or /var/tmp/from_scwrl_727558181.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_727558181_b.pdb or decoys//var/tmp/from_scwrl_727558181_b.pdb.gz for input Trying /var/tmp/from_scwrl_727558181_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_727558181_b.pdb or /var/tmp/from_scwrl_727558181_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_727558181_a.pdb or decoys//var/tmp/from_scwrl_727558181_a.pdb.gz for input Trying /var/tmp/from_scwrl_727558181_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_727558181_a.pdb or /var/tmp/from_scwrl_727558181_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_727558181.pdb or /var/tmp/from_scwrl_727558181_b.pdb or /var/tmp/from_scwrl_727558181_a.pdb Error: no new SCWRL conformation added # naming current conformation SPARKS2_TS4-scwrl # ReadConformPDB reading from PDB file servers/SPARKS2_TS5.pdb.gz looking for model 1 # Found a chain break before 212 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS5 # request to SCWRL produces command: ulimit -t 216 ; scwrl3 -i /var/tmp/to_scwrl_572260931.pdb -s /var/tmp/to_scwrl_572260931.seq -o /var/tmp/from_scwrl_572260931.pdb > /var/tmp/scwrl_572260931.log sh: /var/tmp/scwrl_572260931.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_572260931.pdb or /var/tmp/from_scwrl_572260931.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_572260931_b.pdb or decoys//var/tmp/from_scwrl_572260931_b.pdb.gz for input Trying /var/tmp/from_scwrl_572260931_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_572260931_b.pdb or /var/tmp/from_scwrl_572260931_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_572260931_a.pdb or decoys//var/tmp/from_scwrl_572260931_a.pdb.gz for input Trying /var/tmp/from_scwrl_572260931_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_572260931_a.pdb or /var/tmp/from_scwrl_572260931_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_572260931.pdb or /var/tmp/from_scwrl_572260931_b.pdb or /var/tmp/from_scwrl_572260931_a.pdb Error: no new SCWRL conformation added # 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 T0329 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS1 # request to SCWRL produces command: ulimit -t 216 ; scwrl3 -i /var/tmp/to_scwrl_659904189.pdb -s /var/tmp/to_scwrl_659904189.seq -o /var/tmp/from_scwrl_659904189.pdb > /var/tmp/scwrl_659904189.log sh: /var/tmp/scwrl_659904189.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_659904189.pdb or /var/tmp/from_scwrl_659904189.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_659904189_b.pdb or decoys//var/tmp/from_scwrl_659904189_b.pdb.gz for input Trying /var/tmp/from_scwrl_659904189_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_659904189_b.pdb or /var/tmp/from_scwrl_659904189_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_659904189_a.pdb or decoys//var/tmp/from_scwrl_659904189_a.pdb.gz for input Trying /var/tmp/from_scwrl_659904189_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_659904189_a.pdb or /var/tmp/from_scwrl_659904189_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_659904189.pdb or /var/tmp/from_scwrl_659904189_b.pdb or /var/tmp/from_scwrl_659904189_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 T0329 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS2 # request to SCWRL produces command: ulimit -t 216 ; scwrl3 -i /var/tmp/to_scwrl_854356740.pdb -s /var/tmp/to_scwrl_854356740.seq -o /var/tmp/from_scwrl_854356740.pdb > /var/tmp/scwrl_854356740.log sh: /var/tmp/scwrl_854356740.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_854356740.pdb or /var/tmp/from_scwrl_854356740.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_854356740_b.pdb or decoys//var/tmp/from_scwrl_854356740_b.pdb.gz for input Trying /var/tmp/from_scwrl_854356740_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_854356740_b.pdb or /var/tmp/from_scwrl_854356740_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_854356740_a.pdb or decoys//var/tmp/from_scwrl_854356740_a.pdb.gz for input Trying /var/tmp/from_scwrl_854356740_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_854356740_a.pdb or /var/tmp/from_scwrl_854356740_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_854356740.pdb or /var/tmp/from_scwrl_854356740_b.pdb or /var/tmp/from_scwrl_854356740_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 T0329 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS3 # request to SCWRL produces command: ulimit -t 216 ; scwrl3 -i /var/tmp/to_scwrl_1911818988.pdb -s /var/tmp/to_scwrl_1911818988.seq -o /var/tmp/from_scwrl_1911818988.pdb > /var/tmp/scwrl_1911818988.log sh: /var/tmp/scwrl_1911818988.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1911818988.pdb or /var/tmp/from_scwrl_1911818988.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1911818988_b.pdb or decoys//var/tmp/from_scwrl_1911818988_b.pdb.gz for input Trying /var/tmp/from_scwrl_1911818988_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1911818988_b.pdb or /var/tmp/from_scwrl_1911818988_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1911818988_a.pdb or decoys//var/tmp/from_scwrl_1911818988_a.pdb.gz for input Trying /var/tmp/from_scwrl_1911818988_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1911818988_a.pdb or /var/tmp/from_scwrl_1911818988_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1911818988.pdb or /var/tmp/from_scwrl_1911818988_b.pdb or /var/tmp/from_scwrl_1911818988_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 T0329 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS4 # request to SCWRL produces command: ulimit -t 216 ; scwrl3 -i /var/tmp/to_scwrl_116435296.pdb -s /var/tmp/to_scwrl_116435296.seq -o /var/tmp/from_scwrl_116435296.pdb > /var/tmp/scwrl_116435296.log sh: /var/tmp/scwrl_116435296.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_116435296.pdb or /var/tmp/from_scwrl_116435296.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_116435296_b.pdb or decoys//var/tmp/from_scwrl_116435296_b.pdb.gz for input Trying /var/tmp/from_scwrl_116435296_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_116435296_b.pdb or /var/tmp/from_scwrl_116435296_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_116435296_a.pdb or decoys//var/tmp/from_scwrl_116435296_a.pdb.gz for input Trying /var/tmp/from_scwrl_116435296_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_116435296_a.pdb or /var/tmp/from_scwrl_116435296_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_116435296.pdb or /var/tmp/from_scwrl_116435296_b.pdb or /var/tmp/from_scwrl_116435296_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 T0329 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS5 # request to SCWRL produces command: ulimit -t 216 ; scwrl3 -i /var/tmp/to_scwrl_1538538006.pdb -s /var/tmp/to_scwrl_1538538006.seq -o /var/tmp/from_scwrl_1538538006.pdb > /var/tmp/scwrl_1538538006.log sh: /var/tmp/scwrl_1538538006.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1538538006.pdb or /var/tmp/from_scwrl_1538538006.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1538538006_b.pdb or decoys//var/tmp/from_scwrl_1538538006_b.pdb.gz for input Trying /var/tmp/from_scwrl_1538538006_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1538538006_b.pdb or /var/tmp/from_scwrl_1538538006_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1538538006_a.pdb or decoys//var/tmp/from_scwrl_1538538006_a.pdb.gz for input Trying /var/tmp/from_scwrl_1538538006_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1538538006_a.pdb or /var/tmp/from_scwrl_1538538006_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1538538006.pdb or /var/tmp/from_scwrl_1538538006_b.pdb or /var/tmp/from_scwrl_1538538006_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 T0329 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 216 ; scwrl3 -i /var/tmp/to_scwrl_1074601661.pdb -s /var/tmp/to_scwrl_1074601661.seq -o /var/tmp/from_scwrl_1074601661.pdb > /var/tmp/scwrl_1074601661.log sh: /var/tmp/scwrl_1074601661.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1074601661.pdb or /var/tmp/from_scwrl_1074601661.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1074601661_b.pdb or decoys//var/tmp/from_scwrl_1074601661_b.pdb.gz for input Trying /var/tmp/from_scwrl_1074601661_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1074601661_b.pdb or /var/tmp/from_scwrl_1074601661_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1074601661_a.pdb or decoys//var/tmp/from_scwrl_1074601661_a.pdb.gz for input Trying /var/tmp/from_scwrl_1074601661_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1074601661_a.pdb or /var/tmp/from_scwrl_1074601661_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1074601661.pdb or /var/tmp/from_scwrl_1074601661_b.pdb or /var/tmp/from_scwrl_1074601661_a.pdb Error: no new SCWRL conformation added # 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 T0329 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL1 # request to SCWRL produces command: ulimit -t 216 ; scwrl3 -i /var/tmp/to_scwrl_292063190.pdb -s /var/tmp/to_scwrl_292063190.seq -o /var/tmp/from_scwrl_292063190.pdb > /var/tmp/scwrl_292063190.log sh: /var/tmp/scwrl_292063190.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_292063190.pdb or /var/tmp/from_scwrl_292063190.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_292063190_b.pdb or decoys//var/tmp/from_scwrl_292063190_b.pdb.gz for input Trying /var/tmp/from_scwrl_292063190_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_292063190_b.pdb or /var/tmp/from_scwrl_292063190_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_292063190_a.pdb or decoys//var/tmp/from_scwrl_292063190_a.pdb.gz for input Trying /var/tmp/from_scwrl_292063190_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_292063190_a.pdb or /var/tmp/from_scwrl_292063190_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_292063190.pdb or /var/tmp/from_scwrl_292063190_b.pdb or /var/tmp/from_scwrl_292063190_a.pdb Error: no new SCWRL conformation added # 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 T0329 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL2 # request to SCWRL produces command: ulimit -t 216 ; scwrl3 -i /var/tmp/to_scwrl_1986107909.pdb -s /var/tmp/to_scwrl_1986107909.seq -o /var/tmp/from_scwrl_1986107909.pdb > /var/tmp/scwrl_1986107909.log sh: /var/tmp/scwrl_1986107909.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1986107909.pdb or /var/tmp/from_scwrl_1986107909.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1986107909_b.pdb or decoys//var/tmp/from_scwrl_1986107909_b.pdb.gz for input Trying /var/tmp/from_scwrl_1986107909_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1986107909_b.pdb or /var/tmp/from_scwrl_1986107909_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1986107909_a.pdb or decoys//var/tmp/from_scwrl_1986107909_a.pdb.gz for input Trying /var/tmp/from_scwrl_1986107909_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1986107909_a.pdb or /var/tmp/from_scwrl_1986107909_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1986107909.pdb or /var/tmp/from_scwrl_1986107909_b.pdb or /var/tmp/from_scwrl_1986107909_a.pdb Error: no new SCWRL conformation added # naming current conformation UNI-EID_sfst_AL2-scwrl # ReadConformPDB reading from PDB file servers/UNI-EID_sfst_AL3.pdb.gz looking for model 1 Skipped atom 34, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL3.pdb.gz Skipped atom 36, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL3.pdb.gz Skipped atom 38, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL3.pdb.gz Skipped atom 40, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL3.pdb.gz Skipped atom 98, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL3.pdb.gz Skipped atom 100, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL3.pdb.gz Skipped atom 102, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL3.pdb.gz Skipped atom 104, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL3.pdb.gz Skipped atom 206, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL3.pdb.gz Skipped atom 208, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL3.pdb.gz Skipped atom 210, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL3.pdb.gz Skipped atom 212, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL3.pdb.gz Skipped atom 262, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL3.pdb.gz Skipped atom 264, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL3.pdb.gz Skipped atom 266, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL3.pdb.gz Skipped atom 268, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL3.pdb.gz Skipped atom 506, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL3.pdb.gz Skipped atom 508, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL3.pdb.gz Skipped atom 510, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL3.pdb.gz Skipped atom 512, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL3.pdb.gz # WARNING: incomplete conformation T0329 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL3 # request to SCWRL produces command: ulimit -t 216 ; scwrl3 -i /var/tmp/to_scwrl_1301000374.pdb -s /var/tmp/to_scwrl_1301000374.seq -o /var/tmp/from_scwrl_1301000374.pdb > /var/tmp/scwrl_1301000374.log sh: /var/tmp/scwrl_1301000374.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1301000374.pdb or /var/tmp/from_scwrl_1301000374.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1301000374_b.pdb or decoys//var/tmp/from_scwrl_1301000374_b.pdb.gz for input Trying /var/tmp/from_scwrl_1301000374_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1301000374_b.pdb or /var/tmp/from_scwrl_1301000374_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1301000374_a.pdb or decoys//var/tmp/from_scwrl_1301000374_a.pdb.gz for input Trying /var/tmp/from_scwrl_1301000374_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1301000374_a.pdb or /var/tmp/from_scwrl_1301000374_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1301000374.pdb or /var/tmp/from_scwrl_1301000374_b.pdb or /var/tmp/from_scwrl_1301000374_a.pdb Error: no new SCWRL conformation added # 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 T0329 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL4 # request to SCWRL produces command: ulimit -t 216 ; scwrl3 -i /var/tmp/to_scwrl_139116516.pdb -s /var/tmp/to_scwrl_139116516.seq -o /var/tmp/from_scwrl_139116516.pdb > /var/tmp/scwrl_139116516.log sh: /var/tmp/scwrl_139116516.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_139116516.pdb or /var/tmp/from_scwrl_139116516.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_139116516_b.pdb or decoys//var/tmp/from_scwrl_139116516_b.pdb.gz for input Trying /var/tmp/from_scwrl_139116516_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_139116516_b.pdb or /var/tmp/from_scwrl_139116516_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_139116516_a.pdb or decoys//var/tmp/from_scwrl_139116516_a.pdb.gz for input Trying /var/tmp/from_scwrl_139116516_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_139116516_a.pdb or /var/tmp/from_scwrl_139116516_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_139116516.pdb or /var/tmp/from_scwrl_139116516_b.pdb or /var/tmp/from_scwrl_139116516_a.pdb Error: no new SCWRL conformation added # naming current conformation UNI-EID_sfst_AL4-scwrl # ReadConformPDB reading from PDB file servers/UNI-EID_sfst_AL5.pdb.gz looking for model 1 Skipped atom 310, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL5.pdb.gz Skipped atom 312, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL5.pdb.gz Skipped atom 314, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL5.pdb.gz Skipped atom 316, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL5.pdb.gz Skipped atom 362, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL5.pdb.gz Skipped atom 364, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL5.pdb.gz Skipped atom 366, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL5.pdb.gz Skipped atom 368, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL5.pdb.gz Skipped atom 382, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL5.pdb.gz Skipped atom 384, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL5.pdb.gz Skipped atom 386, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL5.pdb.gz Skipped atom 388, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL5.pdb.gz Skipped atom 390, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL5.pdb.gz Skipped atom 392, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL5.pdb.gz Skipped atom 394, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL5.pdb.gz Skipped atom 396, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL5.pdb.gz Skipped atom 666, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL5.pdb.gz Skipped atom 668, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL5.pdb.gz Skipped atom 670, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL5.pdb.gz Skipped atom 672, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL5.pdb.gz # WARNING: incomplete conformation T0329 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL5 # request to SCWRL produces command: ulimit -t 216 ; scwrl3 -i /var/tmp/to_scwrl_1526297034.pdb -s /var/tmp/to_scwrl_1526297034.seq -o /var/tmp/from_scwrl_1526297034.pdb > /var/tmp/scwrl_1526297034.log sh: /var/tmp/scwrl_1526297034.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1526297034.pdb or /var/tmp/from_scwrl_1526297034.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1526297034_b.pdb or decoys//var/tmp/from_scwrl_1526297034_b.pdb.gz for input Trying /var/tmp/from_scwrl_1526297034_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1526297034_b.pdb or /var/tmp/from_scwrl_1526297034_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1526297034_a.pdb or decoys//var/tmp/from_scwrl_1526297034_a.pdb.gz for input Trying /var/tmp/from_scwrl_1526297034_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1526297034_a.pdb or /var/tmp/from_scwrl_1526297034_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1526297034.pdb or /var/tmp/from_scwrl_1526297034_b.pdb or /var/tmp/from_scwrl_1526297034_a.pdb Error: no new SCWRL conformation added # 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 185 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS1 # request to SCWRL produces command: ulimit -t 216 ; scwrl3 -i /var/tmp/to_scwrl_1109350356.pdb -s /var/tmp/to_scwrl_1109350356.seq -o /var/tmp/from_scwrl_1109350356.pdb > /var/tmp/scwrl_1109350356.log sh: /var/tmp/scwrl_1109350356.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1109350356.pdb or /var/tmp/from_scwrl_1109350356.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1109350356_b.pdb or decoys//var/tmp/from_scwrl_1109350356_b.pdb.gz for input Trying /var/tmp/from_scwrl_1109350356_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1109350356_b.pdb or /var/tmp/from_scwrl_1109350356_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1109350356_a.pdb or decoys//var/tmp/from_scwrl_1109350356_a.pdb.gz for input Trying /var/tmp/from_scwrl_1109350356_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1109350356_a.pdb or /var/tmp/from_scwrl_1109350356_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1109350356.pdb or /var/tmp/from_scwrl_1109350356_b.pdb or /var/tmp/from_scwrl_1109350356_a.pdb Error: no new SCWRL conformation added # 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 227 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS2 # request to SCWRL produces command: ulimit -t 216 ; scwrl3 -i /var/tmp/to_scwrl_1891585861.pdb -s /var/tmp/to_scwrl_1891585861.seq -o /var/tmp/from_scwrl_1891585861.pdb > /var/tmp/scwrl_1891585861.log sh: /var/tmp/scwrl_1891585861.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1891585861.pdb or /var/tmp/from_scwrl_1891585861.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1891585861_b.pdb or decoys//var/tmp/from_scwrl_1891585861_b.pdb.gz for input Trying /var/tmp/from_scwrl_1891585861_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1891585861_b.pdb or /var/tmp/from_scwrl_1891585861_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1891585861_a.pdb or decoys//var/tmp/from_scwrl_1891585861_a.pdb.gz for input Trying /var/tmp/from_scwrl_1891585861_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1891585861_a.pdb or /var/tmp/from_scwrl_1891585861_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1891585861.pdb or /var/tmp/from_scwrl_1891585861_b.pdb or /var/tmp/from_scwrl_1891585861_a.pdb Error: no new SCWRL conformation added # 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 220 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS3 # request to SCWRL produces command: ulimit -t 216 ; scwrl3 -i /var/tmp/to_scwrl_1268839281.pdb -s /var/tmp/to_scwrl_1268839281.seq -o /var/tmp/from_scwrl_1268839281.pdb > /var/tmp/scwrl_1268839281.log sh: /var/tmp/scwrl_1268839281.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1268839281.pdb or /var/tmp/from_scwrl_1268839281.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1268839281_b.pdb or decoys//var/tmp/from_scwrl_1268839281_b.pdb.gz for input Trying /var/tmp/from_scwrl_1268839281_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1268839281_b.pdb or /var/tmp/from_scwrl_1268839281_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1268839281_a.pdb or decoys//var/tmp/from_scwrl_1268839281_a.pdb.gz for input Trying /var/tmp/from_scwrl_1268839281_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1268839281_a.pdb or /var/tmp/from_scwrl_1268839281_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1268839281.pdb or /var/tmp/from_scwrl_1268839281_b.pdb or /var/tmp/from_scwrl_1268839281_a.pdb Error: no new SCWRL conformation added # 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 208 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS4 # request to SCWRL produces command: ulimit -t 216 ; scwrl3 -i /var/tmp/to_scwrl_580365960.pdb -s /var/tmp/to_scwrl_580365960.seq -o /var/tmp/from_scwrl_580365960.pdb > /var/tmp/scwrl_580365960.log sh: /var/tmp/scwrl_580365960.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_580365960.pdb or /var/tmp/from_scwrl_580365960.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_580365960_b.pdb or decoys//var/tmp/from_scwrl_580365960_b.pdb.gz for input Trying /var/tmp/from_scwrl_580365960_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_580365960_b.pdb or /var/tmp/from_scwrl_580365960_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_580365960_a.pdb or decoys//var/tmp/from_scwrl_580365960_a.pdb.gz for input Trying /var/tmp/from_scwrl_580365960_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_580365960_a.pdb or /var/tmp/from_scwrl_580365960_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_580365960.pdb or /var/tmp/from_scwrl_580365960_b.pdb or /var/tmp/from_scwrl_580365960_a.pdb Error: no new SCWRL conformation added # 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 165 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS5 # request to SCWRL produces command: ulimit -t 216 ; scwrl3 -i /var/tmp/to_scwrl_1734377639.pdb -s /var/tmp/to_scwrl_1734377639.seq -o /var/tmp/from_scwrl_1734377639.pdb > /var/tmp/scwrl_1734377639.log sh: /var/tmp/scwrl_1734377639.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1734377639.pdb or /var/tmp/from_scwrl_1734377639.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1734377639_b.pdb or decoys//var/tmp/from_scwrl_1734377639_b.pdb.gz for input Trying /var/tmp/from_scwrl_1734377639_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1734377639_b.pdb or /var/tmp/from_scwrl_1734377639_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1734377639_a.pdb or decoys//var/tmp/from_scwrl_1734377639_a.pdb.gz for input Trying /var/tmp/from_scwrl_1734377639_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1734377639_a.pdb or /var/tmp/from_scwrl_1734377639_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1734377639.pdb or /var/tmp/from_scwrl_1734377639_b.pdb or /var/tmp/from_scwrl_1734377639_a.pdb Error: no new SCWRL conformation added # 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 238 # copying to AlignedFragments data structure # naming current conformation beautshot_TS1 # request to SCWRL produces command: ulimit -t 216 ; scwrl3 -i /var/tmp/to_scwrl_920257233.pdb -s /var/tmp/to_scwrl_920257233.seq -o /var/tmp/from_scwrl_920257233.pdb > /var/tmp/scwrl_920257233.log sh: /var/tmp/scwrl_920257233.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_920257233.pdb or /var/tmp/from_scwrl_920257233.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_920257233_b.pdb or decoys//var/tmp/from_scwrl_920257233_b.pdb.gz for input Trying /var/tmp/from_scwrl_920257233_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_920257233_b.pdb or /var/tmp/from_scwrl_920257233_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_920257233_a.pdb or decoys//var/tmp/from_scwrl_920257233_a.pdb.gz for input Trying /var/tmp/from_scwrl_920257233_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_920257233_a.pdb or /var/tmp/from_scwrl_920257233_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_920257233.pdb or /var/tmp/from_scwrl_920257233_b.pdb or /var/tmp/from_scwrl_920257233_a.pdb Error: no new SCWRL conformation added # naming current conformation beautshot_TS1-scwrl # ReadConformPDB reading from PDB file servers/beautshotbase_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0329 can't currently be optimized by undertaker # naming current conformation beautshotbase_TS1 # request to SCWRL produces command: ulimit -t 216 ; scwrl3 -i /var/tmp/to_scwrl_1052941676.pdb -s /var/tmp/to_scwrl_1052941676.seq -o /var/tmp/from_scwrl_1052941676.pdb > /var/tmp/scwrl_1052941676.log sh: /var/tmp/scwrl_1052941676.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1052941676.pdb or /var/tmp/from_scwrl_1052941676.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1052941676_b.pdb or decoys//var/tmp/from_scwrl_1052941676_b.pdb.gz for input Trying /var/tmp/from_scwrl_1052941676_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1052941676_b.pdb or /var/tmp/from_scwrl_1052941676_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1052941676_a.pdb or decoys//var/tmp/from_scwrl_1052941676_a.pdb.gz for input Trying /var/tmp/from_scwrl_1052941676_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1052941676_a.pdb or /var/tmp/from_scwrl_1052941676_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1052941676.pdb or /var/tmp/from_scwrl_1052941676_b.pdb or /var/tmp/from_scwrl_1052941676_a.pdb Error: no new SCWRL conformation added # naming current conformation beautshotbase_TS1-scwrl # ReadConformPDB reading from PDB file servers/forecast-s_AL1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0329 can't currently be optimized by undertaker # naming current conformation forecast-s_AL1 # request to SCWRL produces command: ulimit -t 216 ; scwrl3 -i /var/tmp/to_scwrl_592297503.pdb -s /var/tmp/to_scwrl_592297503.seq -o /var/tmp/from_scwrl_592297503.pdb > /var/tmp/scwrl_592297503.log sh: /var/tmp/scwrl_592297503.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_592297503.pdb or /var/tmp/from_scwrl_592297503.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_592297503_b.pdb or decoys//var/tmp/from_scwrl_592297503_b.pdb.gz for input Trying /var/tmp/from_scwrl_592297503_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_592297503_b.pdb or /var/tmp/from_scwrl_592297503_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_592297503_a.pdb or decoys//var/tmp/from_scwrl_592297503_a.pdb.gz for input Trying /var/tmp/from_scwrl_592297503_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_592297503_a.pdb or /var/tmp/from_scwrl_592297503_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_592297503.pdb or /var/tmp/from_scwrl_592297503_b.pdb or /var/tmp/from_scwrl_592297503_a.pdb Error: no new SCWRL conformation added # naming current conformation forecast-s_AL1-scwrl # ReadConformPDB reading from PDB file servers/forecast-s_AL2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0329 can't currently be optimized by undertaker # naming current conformation forecast-s_AL2 # request to SCWRL produces command: ulimit -t 216 ; scwrl3 -i /var/tmp/to_scwrl_162904066.pdb -s /var/tmp/to_scwrl_162904066.seq -o /var/tmp/from_scwrl_162904066.pdb > /var/tmp/scwrl_162904066.log sh: /var/tmp/scwrl_162904066.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_162904066.pdb or /var/tmp/from_scwrl_162904066.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_162904066_b.pdb or decoys//var/tmp/from_scwrl_162904066_b.pdb.gz for input Trying /var/tmp/from_scwrl_162904066_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_162904066_b.pdb or /var/tmp/from_scwrl_162904066_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_162904066_a.pdb or decoys//var/tmp/from_scwrl_162904066_a.pdb.gz for input Trying /var/tmp/from_scwrl_162904066_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_162904066_a.pdb or /var/tmp/from_scwrl_162904066_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_162904066.pdb or /var/tmp/from_scwrl_162904066_b.pdb or /var/tmp/from_scwrl_162904066_a.pdb Error: no new SCWRL conformation added # naming current conformation forecast-s_AL2-scwrl # ReadConformPDB reading from PDB file servers/forecast-s_AL3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0329 can't currently be optimized by undertaker # naming current conformation forecast-s_AL3 # request to SCWRL produces command: ulimit -t 216 ; scwrl3 -i /var/tmp/to_scwrl_736740163.pdb -s /var/tmp/to_scwrl_736740163.seq -o /var/tmp/from_scwrl_736740163.pdb > /var/tmp/scwrl_736740163.log sh: /var/tmp/scwrl_736740163.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_736740163.pdb or /var/tmp/from_scwrl_736740163.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_736740163_b.pdb or decoys//var/tmp/from_scwrl_736740163_b.pdb.gz for input Trying /var/tmp/from_scwrl_736740163_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_736740163_b.pdb or /var/tmp/from_scwrl_736740163_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_736740163_a.pdb or decoys//var/tmp/from_scwrl_736740163_a.pdb.gz for input Trying /var/tmp/from_scwrl_736740163_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_736740163_a.pdb or /var/tmp/from_scwrl_736740163_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_736740163.pdb or /var/tmp/from_scwrl_736740163_b.pdb or /var/tmp/from_scwrl_736740163_a.pdb Error: no new SCWRL conformation added # naming current conformation forecast-s_AL3-scwrl # ReadConformPDB reading from PDB file servers/forecast-s_AL4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0329 can't currently be optimized by undertaker # naming current conformation forecast-s_AL4 # request to SCWRL produces command: ulimit -t 216 ; scwrl3 -i /var/tmp/to_scwrl_947960097.pdb -s /var/tmp/to_scwrl_947960097.seq -o /var/tmp/from_scwrl_947960097.pdb > /var/tmp/scwrl_947960097.log sh: /var/tmp/scwrl_947960097.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_947960097.pdb or /var/tmp/from_scwrl_947960097.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_947960097_b.pdb or decoys//var/tmp/from_scwrl_947960097_b.pdb.gz for input Trying /var/tmp/from_scwrl_947960097_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_947960097_b.pdb or /var/tmp/from_scwrl_947960097_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_947960097_a.pdb or decoys//var/tmp/from_scwrl_947960097_a.pdb.gz for input Trying /var/tmp/from_scwrl_947960097_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_947960097_a.pdb or /var/tmp/from_scwrl_947960097_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_947960097.pdb or /var/tmp/from_scwrl_947960097_b.pdb or /var/tmp/from_scwrl_947960097_a.pdb Error: no new SCWRL conformation added # naming current conformation forecast-s_AL4-scwrl # ReadConformPDB reading from PDB file servers/forecast-s_AL5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0329 can't currently be optimized by undertaker # naming current conformation forecast-s_AL5 # request to SCWRL produces command: ulimit -t 216 ; scwrl3 -i /var/tmp/to_scwrl_1117571369.pdb -s /var/tmp/to_scwrl_1117571369.seq -o /var/tmp/from_scwrl_1117571369.pdb > /var/tmp/scwrl_1117571369.log sh: /var/tmp/scwrl_1117571369.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1117571369.pdb or /var/tmp/from_scwrl_1117571369.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1117571369_b.pdb or decoys//var/tmp/from_scwrl_1117571369_b.pdb.gz for input Trying /var/tmp/from_scwrl_1117571369_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1117571369_b.pdb or /var/tmp/from_scwrl_1117571369_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1117571369_a.pdb or decoys//var/tmp/from_scwrl_1117571369_a.pdb.gz for input Trying /var/tmp/from_scwrl_1117571369_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1117571369_a.pdb or /var/tmp/from_scwrl_1117571369_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1117571369.pdb or /var/tmp/from_scwrl_1117571369_b.pdb or /var/tmp/from_scwrl_1117571369_a.pdb Error: no new SCWRL conformation added # naming current conformation forecast-s_AL5-scwrl # ReadConformPDB reading from PDB file servers/gtg_AL1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0329 can't currently be optimized by undertaker # naming current conformation gtg_AL1 # request to SCWRL produces command: ulimit -t 216 ; scwrl3 -i /var/tmp/to_scwrl_46450060.pdb -s /var/tmp/to_scwrl_46450060.seq -o /var/tmp/from_scwrl_46450060.pdb > /var/tmp/scwrl_46450060.log sh: /var/tmp/scwrl_46450060.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_46450060.pdb or /var/tmp/from_scwrl_46450060.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_46450060_b.pdb or decoys//var/tmp/from_scwrl_46450060_b.pdb.gz for input Trying /var/tmp/from_scwrl_46450060_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_46450060_b.pdb or /var/tmp/from_scwrl_46450060_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_46450060_a.pdb or decoys//var/tmp/from_scwrl_46450060_a.pdb.gz for input Trying /var/tmp/from_scwrl_46450060_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_46450060_a.pdb or /var/tmp/from_scwrl_46450060_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_46450060.pdb or /var/tmp/from_scwrl_46450060_b.pdb or /var/tmp/from_scwrl_46450060_a.pdb Error: no new SCWRL conformation added # naming current conformation gtg_AL1-scwrl # ReadConformPDB reading from PDB file servers/gtg_AL2.pdb.gz looking for model 1 Skipped atom 26, because occupancy 1.000 <= existing 1.000 in servers/gtg_AL2.pdb.gz Skipped atom 28, because occupancy 1.000 <= existing 1.000 in servers/gtg_AL2.pdb.gz Skipped atom 30, because occupancy 1.000 <= existing 1.000 in servers/gtg_AL2.pdb.gz Skipped atom 32, because occupancy 1.000 <= existing 1.000 in servers/gtg_AL2.pdb.gz Skipped atom 90, because occupancy 1.000 <= existing 1.000 in servers/gtg_AL2.pdb.gz Skipped atom 92, because occupancy 1.000 <= existing 1.000 in servers/gtg_AL2.pdb.gz Skipped atom 94, because occupancy 1.000 <= existing 1.000 in servers/gtg_AL2.pdb.gz Skipped atom 96, because occupancy 1.000 <= existing 1.000 in servers/gtg_AL2.pdb.gz Skipped atom 194, because occupancy 1.000 <= existing 1.000 in servers/gtg_AL2.pdb.gz Skipped atom 196, because occupancy 1.000 <= existing 1.000 in servers/gtg_AL2.pdb.gz Skipped atom 198, because occupancy 1.000 <= existing 1.000 in servers/gtg_AL2.pdb.gz Skipped atom 200, because occupancy 1.000 <= existing 1.000 in servers/gtg_AL2.pdb.gz Skipped atom 250, because occupancy 1.000 <= existing 1.000 in servers/gtg_AL2.pdb.gz Skipped atom 252, because occupancy 1.000 <= existing 1.000 in servers/gtg_AL2.pdb.gz Skipped atom 254, because occupancy 1.000 <= existing 1.000 in servers/gtg_AL2.pdb.gz Skipped atom 256, because occupancy 1.000 <= existing 1.000 in servers/gtg_AL2.pdb.gz Skipped atom 494, because occupancy 1.000 <= existing 1.000 in servers/gtg_AL2.pdb.gz Skipped atom 496, because occupancy 1.000 <= existing 1.000 in servers/gtg_AL2.pdb.gz Skipped atom 498, because occupancy 1.000 <= existing 1.000 in servers/gtg_AL2.pdb.gz Skipped atom 500, because occupancy 1.000 <= existing 1.000 in servers/gtg_AL2.pdb.gz # WARNING: incomplete conformation T0329 can't currently be optimized by undertaker # naming current conformation gtg_AL2 # request to SCWRL produces command: ulimit -t 216 ; scwrl3 -i /var/tmp/to_scwrl_1164792529.pdb -s /var/tmp/to_scwrl_1164792529.seq -o /var/tmp/from_scwrl_1164792529.pdb > /var/tmp/scwrl_1164792529.log sh: /var/tmp/scwrl_1164792529.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1164792529.pdb or /var/tmp/from_scwrl_1164792529.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1164792529_b.pdb or decoys//var/tmp/from_scwrl_1164792529_b.pdb.gz for input Trying /var/tmp/from_scwrl_1164792529_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1164792529_b.pdb or /var/tmp/from_scwrl_1164792529_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1164792529_a.pdb or decoys//var/tmp/from_scwrl_1164792529_a.pdb.gz for input Trying /var/tmp/from_scwrl_1164792529_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1164792529_a.pdb or /var/tmp/from_scwrl_1164792529_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1164792529.pdb or /var/tmp/from_scwrl_1164792529_b.pdb or /var/tmp/from_scwrl_1164792529_a.pdb Error: no new SCWRL conformation added # naming current conformation gtg_AL2-scwrl # ReadConformPDB reading from PDB file servers/gtg_AL3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0329 can't currently be optimized by undertaker # naming current conformation gtg_AL3 # request to SCWRL produces command: ulimit -t 216 ; scwrl3 -i /var/tmp/to_scwrl_1148646563.pdb -s /var/tmp/to_scwrl_1148646563.seq -o /var/tmp/from_scwrl_1148646563.pdb > /var/tmp/scwrl_1148646563.log sh: /var/tmp/scwrl_1148646563.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1148646563.pdb or /var/tmp/from_scwrl_1148646563.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1148646563_b.pdb or decoys//var/tmp/from_scwrl_1148646563_b.pdb.gz for input Trying /var/tmp/from_scwrl_1148646563_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1148646563_b.pdb or /var/tmp/from_scwrl_1148646563_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1148646563_a.pdb or decoys//var/tmp/from_scwrl_1148646563_a.pdb.gz for input Trying /var/tmp/from_scwrl_1148646563_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1148646563_a.pdb or /var/tmp/from_scwrl_1148646563_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1148646563.pdb or /var/tmp/from_scwrl_1148646563_b.pdb or /var/tmp/from_scwrl_1148646563_a.pdb Error: no new SCWRL conformation added # naming current conformation gtg_AL3-scwrl # ReadConformPDB reading from PDB file servers/gtg_AL4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0329 can't currently be optimized by undertaker # naming current conformation gtg_AL4 # request to SCWRL produces command: ulimit -t 216 ; scwrl3 -i /var/tmp/to_scwrl_1480926247.pdb -s /var/tmp/to_scwrl_1480926247.seq -o /var/tmp/from_scwrl_1480926247.pdb > /var/tmp/scwrl_1480926247.log sh: /var/tmp/scwrl_1480926247.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1480926247.pdb or /var/tmp/from_scwrl_1480926247.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1480926247_b.pdb or decoys//var/tmp/from_scwrl_1480926247_b.pdb.gz for input Trying /var/tmp/from_scwrl_1480926247_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1480926247_b.pdb or /var/tmp/from_scwrl_1480926247_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1480926247_a.pdb or decoys//var/tmp/from_scwrl_1480926247_a.pdb.gz for input Trying /var/tmp/from_scwrl_1480926247_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1480926247_a.pdb or /var/tmp/from_scwrl_1480926247_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1480926247.pdb or /var/tmp/from_scwrl_1480926247_b.pdb or /var/tmp/from_scwrl_1480926247_a.pdb Error: no new SCWRL conformation added # naming current conformation gtg_AL4-scwrl # ReadConformPDB reading from PDB file servers/gtg_AL5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0329 can't currently be optimized by undertaker # naming current conformation gtg_AL5 # request to SCWRL produces command: ulimit -t 216 ; scwrl3 -i /var/tmp/to_scwrl_1202954233.pdb -s /var/tmp/to_scwrl_1202954233.seq -o /var/tmp/from_scwrl_1202954233.pdb > /var/tmp/scwrl_1202954233.log sh: /var/tmp/scwrl_1202954233.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1202954233.pdb or /var/tmp/from_scwrl_1202954233.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1202954233_b.pdb or decoys//var/tmp/from_scwrl_1202954233_b.pdb.gz for input Trying /var/tmp/from_scwrl_1202954233_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1202954233_b.pdb or /var/tmp/from_scwrl_1202954233_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1202954233_a.pdb or decoys//var/tmp/from_scwrl_1202954233_a.pdb.gz for input Trying /var/tmp/from_scwrl_1202954233_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1202954233_a.pdb or /var/tmp/from_scwrl_1202954233_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1202954233.pdb or /var/tmp/from_scwrl_1202954233_b.pdb or /var/tmp/from_scwrl_1202954233_a.pdb Error: no new SCWRL conformation added # naming current conformation gtg_AL5-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv.2_TS1.pdb.gz looking for model 1 # Found a chain break before 210 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS1 # request to SCWRL produces command: ulimit -t 216 ; scwrl3 -i /var/tmp/to_scwrl_528398838.pdb -s /var/tmp/to_scwrl_528398838.seq -o /var/tmp/from_scwrl_528398838.pdb > /var/tmp/scwrl_528398838.log sh: /var/tmp/scwrl_528398838.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_528398838.pdb or /var/tmp/from_scwrl_528398838.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_528398838_b.pdb or decoys//var/tmp/from_scwrl_528398838_b.pdb.gz for input Trying /var/tmp/from_scwrl_528398838_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_528398838_b.pdb or /var/tmp/from_scwrl_528398838_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_528398838_a.pdb or decoys//var/tmp/from_scwrl_528398838_a.pdb.gz for input Trying /var/tmp/from_scwrl_528398838_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_528398838_a.pdb or /var/tmp/from_scwrl_528398838_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_528398838.pdb or /var/tmp/from_scwrl_528398838_b.pdb or /var/tmp/from_scwrl_528398838_a.pdb Error: no new SCWRL conformation added # 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 214 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS2 # request to SCWRL produces command: ulimit -t 216 ; scwrl3 -i /var/tmp/to_scwrl_61000781.pdb -s /var/tmp/to_scwrl_61000781.seq -o /var/tmp/from_scwrl_61000781.pdb > /var/tmp/scwrl_61000781.log sh: /var/tmp/scwrl_61000781.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_61000781.pdb or /var/tmp/from_scwrl_61000781.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_61000781_b.pdb or decoys//var/tmp/from_scwrl_61000781_b.pdb.gz for input Trying /var/tmp/from_scwrl_61000781_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_61000781_b.pdb or /var/tmp/from_scwrl_61000781_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_61000781_a.pdb or decoys//var/tmp/from_scwrl_61000781_a.pdb.gz for input Trying /var/tmp/from_scwrl_61000781_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_61000781_a.pdb or /var/tmp/from_scwrl_61000781_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_61000781.pdb or /var/tmp/from_scwrl_61000781_b.pdb or /var/tmp/from_scwrl_61000781_a.pdb Error: no new SCWRL conformation added # naming current conformation karypis.srv.2_TS2-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv.2_TS3.pdb.gz looking for model 1 # Found a chain break before 212 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS3 # request to SCWRL produces command: ulimit -t 216 ; scwrl3 -i /var/tmp/to_scwrl_1775215164.pdb -s /var/tmp/to_scwrl_1775215164.seq -o /var/tmp/from_scwrl_1775215164.pdb > /var/tmp/scwrl_1775215164.log sh: /var/tmp/scwrl_1775215164.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1775215164.pdb or /var/tmp/from_scwrl_1775215164.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1775215164_b.pdb or decoys//var/tmp/from_scwrl_1775215164_b.pdb.gz for input Trying /var/tmp/from_scwrl_1775215164_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1775215164_b.pdb or /var/tmp/from_scwrl_1775215164_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1775215164_a.pdb or decoys//var/tmp/from_scwrl_1775215164_a.pdb.gz for input Trying /var/tmp/from_scwrl_1775215164_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1775215164_a.pdb or /var/tmp/from_scwrl_1775215164_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1775215164.pdb or /var/tmp/from_scwrl_1775215164_b.pdb or /var/tmp/from_scwrl_1775215164_a.pdb Error: no new SCWRL conformation added # 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 211 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS4 # request to SCWRL produces command: ulimit -t 216 ; scwrl3 -i /var/tmp/to_scwrl_1188303026.pdb -s /var/tmp/to_scwrl_1188303026.seq -o /var/tmp/from_scwrl_1188303026.pdb > /var/tmp/scwrl_1188303026.log sh: /var/tmp/scwrl_1188303026.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1188303026.pdb or /var/tmp/from_scwrl_1188303026.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1188303026_b.pdb or decoys//var/tmp/from_scwrl_1188303026_b.pdb.gz for input Trying /var/tmp/from_scwrl_1188303026_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1188303026_b.pdb or /var/tmp/from_scwrl_1188303026_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1188303026_a.pdb or decoys//var/tmp/from_scwrl_1188303026_a.pdb.gz for input Trying /var/tmp/from_scwrl_1188303026_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1188303026_a.pdb or /var/tmp/from_scwrl_1188303026_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1188303026.pdb or /var/tmp/from_scwrl_1188303026_b.pdb or /var/tmp/from_scwrl_1188303026_a.pdb Error: no new SCWRL conformation added # naming current conformation karypis.srv.2_TS4-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv.2_TS5.pdb.gz looking for model 1 # Found a chain break before 75 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS5 # request to SCWRL produces command: ulimit -t 216 ; scwrl3 -i /var/tmp/to_scwrl_915357521.pdb -s /var/tmp/to_scwrl_915357521.seq -o /var/tmp/from_scwrl_915357521.pdb > /var/tmp/scwrl_915357521.log sh: /var/tmp/scwrl_915357521.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_915357521.pdb or /var/tmp/from_scwrl_915357521.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_915357521_b.pdb or decoys//var/tmp/from_scwrl_915357521_b.pdb.gz for input Trying /var/tmp/from_scwrl_915357521_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_915357521_b.pdb or /var/tmp/from_scwrl_915357521_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_915357521_a.pdb or decoys//var/tmp/from_scwrl_915357521_a.pdb.gz for input Trying /var/tmp/from_scwrl_915357521_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_915357521_a.pdb or /var/tmp/from_scwrl_915357521_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_915357521.pdb or /var/tmp/from_scwrl_915357521_b.pdb or /var/tmp/from_scwrl_915357521_a.pdb Error: no new SCWRL conformation added # 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 236 # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS1 # request to SCWRL produces command: ulimit -t 216 ; scwrl3 -i /var/tmp/to_scwrl_1539550505.pdb -s /var/tmp/to_scwrl_1539550505.seq -o /var/tmp/from_scwrl_1539550505.pdb > /var/tmp/scwrl_1539550505.log sh: /var/tmp/scwrl_1539550505.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1539550505.pdb or /var/tmp/from_scwrl_1539550505.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1539550505_b.pdb or decoys//var/tmp/from_scwrl_1539550505_b.pdb.gz for input Trying /var/tmp/from_scwrl_1539550505_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1539550505_b.pdb or /var/tmp/from_scwrl_1539550505_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1539550505_a.pdb or decoys//var/tmp/from_scwrl_1539550505_a.pdb.gz for input Trying /var/tmp/from_scwrl_1539550505_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1539550505_a.pdb or /var/tmp/from_scwrl_1539550505_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1539550505.pdb or /var/tmp/from_scwrl_1539550505_b.pdb or /var/tmp/from_scwrl_1539550505_a.pdb Error: no new SCWRL conformation added # naming current conformation karypis.srv.4_TS1-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv.4_TS2.pdb.gz looking for model 1 # Found a chain break before 237 # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS2 # request to SCWRL produces command: ulimit -t 216 ; scwrl3 -i /var/tmp/to_scwrl_1304738322.pdb -s /var/tmp/to_scwrl_1304738322.seq -o /var/tmp/from_scwrl_1304738322.pdb > /var/tmp/scwrl_1304738322.log sh: /var/tmp/scwrl_1304738322.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1304738322.pdb or /var/tmp/from_scwrl_1304738322.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1304738322_b.pdb or decoys//var/tmp/from_scwrl_1304738322_b.pdb.gz for input Trying /var/tmp/from_scwrl_1304738322_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1304738322_b.pdb or /var/tmp/from_scwrl_1304738322_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1304738322_a.pdb or decoys//var/tmp/from_scwrl_1304738322_a.pdb.gz for input Trying /var/tmp/from_scwrl_1304738322_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1304738322_a.pdb or /var/tmp/from_scwrl_1304738322_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1304738322.pdb or /var/tmp/from_scwrl_1304738322_b.pdb or /var/tmp/from_scwrl_1304738322_a.pdb Error: no new SCWRL conformation added # naming current conformation karypis.srv.4_TS2-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv.4_TS3.pdb.gz looking for model 1 # Found a chain break before 233 # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS3 # request to SCWRL produces command: ulimit -t 216 ; scwrl3 -i /var/tmp/to_scwrl_306411880.pdb -s /var/tmp/to_scwrl_306411880.seq -o /var/tmp/from_scwrl_306411880.pdb > /var/tmp/scwrl_306411880.log sh: /var/tmp/scwrl_306411880.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_306411880.pdb or /var/tmp/from_scwrl_306411880.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_306411880_b.pdb or decoys//var/tmp/from_scwrl_306411880_b.pdb.gz for input Trying /var/tmp/from_scwrl_306411880_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_306411880_b.pdb or /var/tmp/from_scwrl_306411880_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_306411880_a.pdb or decoys//var/tmp/from_scwrl_306411880_a.pdb.gz for input Trying /var/tmp/from_scwrl_306411880_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_306411880_a.pdb or /var/tmp/from_scwrl_306411880_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_306411880.pdb or /var/tmp/from_scwrl_306411880_b.pdb or /var/tmp/from_scwrl_306411880_a.pdb Error: no new SCWRL conformation added # naming current conformation karypis.srv.4_TS3-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv.4_TS4.pdb.gz looking for model 1 WARNING: atoms too close: (T0329)D11.O and (T0329)G12.N only 0.000 apart, marking (T0329)G12.N as missing # WARNING: incomplete conformation T0329 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS4 # request to SCWRL produces command: ulimit -t 216 ; scwrl3 -i /var/tmp/to_scwrl_466668521.pdb -s /var/tmp/to_scwrl_466668521.seq -o /var/tmp/from_scwrl_466668521.pdb > /var/tmp/scwrl_466668521.log sh: /var/tmp/scwrl_466668521.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_466668521.pdb or /var/tmp/from_scwrl_466668521.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_466668521_b.pdb or decoys//var/tmp/from_scwrl_466668521_b.pdb.gz for input Trying /var/tmp/from_scwrl_466668521_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_466668521_b.pdb or /var/tmp/from_scwrl_466668521_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_466668521_a.pdb or decoys//var/tmp/from_scwrl_466668521_a.pdb.gz for input Trying /var/tmp/from_scwrl_466668521_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_466668521_a.pdb or /var/tmp/from_scwrl_466668521_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_466668521.pdb or /var/tmp/from_scwrl_466668521_b.pdb or /var/tmp/from_scwrl_466668521_a.pdb Error: no new SCWRL conformation added # naming current conformation karypis.srv.4_TS4-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv.4_TS5.pdb.gz looking for model 1 # Found a chain break before 236 # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS5 # request to SCWRL produces command: ulimit -t 216 ; scwrl3 -i /var/tmp/to_scwrl_1596801513.pdb -s /var/tmp/to_scwrl_1596801513.seq -o /var/tmp/from_scwrl_1596801513.pdb > /var/tmp/scwrl_1596801513.log sh: /var/tmp/scwrl_1596801513.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1596801513.pdb or /var/tmp/from_scwrl_1596801513.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1596801513_b.pdb or decoys//var/tmp/from_scwrl_1596801513_b.pdb.gz for input Trying /var/tmp/from_scwrl_1596801513_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1596801513_b.pdb or /var/tmp/from_scwrl_1596801513_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1596801513_a.pdb or decoys//var/tmp/from_scwrl_1596801513_a.pdb.gz for input Trying /var/tmp/from_scwrl_1596801513_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1596801513_a.pdb or /var/tmp/from_scwrl_1596801513_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1596801513.pdb or /var/tmp/from_scwrl_1596801513_b.pdb or /var/tmp/from_scwrl_1596801513_a.pdb Error: no new SCWRL conformation added # naming current conformation karypis.srv.4_TS5-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0329 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 216 ; scwrl3 -i /var/tmp/to_scwrl_145036143.pdb -s /var/tmp/to_scwrl_145036143.seq -o /var/tmp/from_scwrl_145036143.pdb > /var/tmp/scwrl_145036143.log sh: /var/tmp/scwrl_145036143.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_145036143.pdb or /var/tmp/from_scwrl_145036143.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_145036143_b.pdb or decoys//var/tmp/from_scwrl_145036143_b.pdb.gz for input Trying /var/tmp/from_scwrl_145036143_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_145036143_b.pdb or /var/tmp/from_scwrl_145036143_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_145036143_a.pdb or decoys//var/tmp/from_scwrl_145036143_a.pdb.gz for input Trying /var/tmp/from_scwrl_145036143_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_145036143_a.pdb or /var/tmp/from_scwrl_145036143_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_145036143.pdb or /var/tmp/from_scwrl_145036143_b.pdb or /var/tmp/from_scwrl_145036143_a.pdb Error: no new SCWRL conformation added # naming current conformation karypis.srv_TS1-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv_TS2.pdb.gz looking for model 1 # Found a chain break before 137 # copying to AlignedFragments data structure # naming current conformation karypis.srv_TS2 # request to SCWRL produces command: ulimit -t 216 ; scwrl3 -i /var/tmp/to_scwrl_1767668895.pdb -s /var/tmp/to_scwrl_1767668895.seq -o /var/tmp/from_scwrl_1767668895.pdb > /var/tmp/scwrl_1767668895.log sh: /var/tmp/scwrl_1767668895.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1767668895.pdb or /var/tmp/from_scwrl_1767668895.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1767668895_b.pdb or decoys//var/tmp/from_scwrl_1767668895_b.pdb.gz for input Trying /var/tmp/from_scwrl_1767668895_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1767668895_b.pdb or /var/tmp/from_scwrl_1767668895_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1767668895_a.pdb or decoys//var/tmp/from_scwrl_1767668895_a.pdb.gz for input Trying /var/tmp/from_scwrl_1767668895_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1767668895_a.pdb or /var/tmp/from_scwrl_1767668895_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1767668895.pdb or /var/tmp/from_scwrl_1767668895_b.pdb or /var/tmp/from_scwrl_1767668895_a.pdb Error: no new SCWRL conformation added # 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 T0329 can't currently be optimized by undertaker # naming current conformation karypis.srv_TS3 # request to SCWRL produces command: ulimit -t 216 ; scwrl3 -i /var/tmp/to_scwrl_1735918029.pdb -s /var/tmp/to_scwrl_1735918029.seq -o /var/tmp/from_scwrl_1735918029.pdb > /var/tmp/scwrl_1735918029.log sh: /var/tmp/scwrl_1735918029.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1735918029.pdb or /var/tmp/from_scwrl_1735918029.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1735918029_b.pdb or decoys//var/tmp/from_scwrl_1735918029_b.pdb.gz for input Trying /var/tmp/from_scwrl_1735918029_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1735918029_b.pdb or /var/tmp/from_scwrl_1735918029_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1735918029_a.pdb or decoys//var/tmp/from_scwrl_1735918029_a.pdb.gz for input Trying /var/tmp/from_scwrl_1735918029_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1735918029_a.pdb or /var/tmp/from_scwrl_1735918029_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1735918029.pdb or /var/tmp/from_scwrl_1735918029_b.pdb or /var/tmp/from_scwrl_1735918029_a.pdb Error: no new SCWRL conformation added # 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 T0329 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation karypis.srv_TS4 # request to SCWRL produces command: ulimit -t 216 ; scwrl3 -i /var/tmp/to_scwrl_1671333177.pdb -s /var/tmp/to_scwrl_1671333177.seq -o /var/tmp/from_scwrl_1671333177.pdb > /var/tmp/scwrl_1671333177.log sh: /var/tmp/scwrl_1671333177.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1671333177.pdb or /var/tmp/from_scwrl_1671333177.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1671333177_b.pdb or decoys//var/tmp/from_scwrl_1671333177_b.pdb.gz for input Trying /var/tmp/from_scwrl_1671333177_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1671333177_b.pdb or /var/tmp/from_scwrl_1671333177_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1671333177_a.pdb or decoys//var/tmp/from_scwrl_1671333177_a.pdb.gz for input Trying /var/tmp/from_scwrl_1671333177_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1671333177_a.pdb or /var/tmp/from_scwrl_1671333177_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1671333177.pdb or /var/tmp/from_scwrl_1671333177_b.pdb or /var/tmp/from_scwrl_1671333177_a.pdb Error: no new SCWRL conformation added # naming current conformation karypis.srv_TS4-scwrl # ReadConformPDB reading from PDB file servers/keasar-server_TS1.pdb.gz looking for model 1 # Found a chain break before 213 # copying to AlignedFragments data structure # naming current conformation keasar-server_TS1 # request to SCWRL produces command: ulimit -t 216 ; scwrl3 -i /var/tmp/to_scwrl_729535605.pdb -s /var/tmp/to_scwrl_729535605.seq -o /var/tmp/from_scwrl_729535605.pdb > /var/tmp/scwrl_729535605.log sh: /var/tmp/scwrl_729535605.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_729535605.pdb or /var/tmp/from_scwrl_729535605.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_729535605_b.pdb or decoys//var/tmp/from_scwrl_729535605_b.pdb.gz for input Trying /var/tmp/from_scwrl_729535605_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_729535605_b.pdb or /var/tmp/from_scwrl_729535605_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_729535605_a.pdb or decoys//var/tmp/from_scwrl_729535605_a.pdb.gz for input Trying /var/tmp/from_scwrl_729535605_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_729535605_a.pdb or /var/tmp/from_scwrl_729535605_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_729535605.pdb or /var/tmp/from_scwrl_729535605_b.pdb or /var/tmp/from_scwrl_729535605_a.pdb Error: no new SCWRL conformation added # 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 213 # copying to AlignedFragments data structure # naming current conformation keasar-server_TS2 # request to SCWRL produces command: ulimit -t 216 ; scwrl3 -i /var/tmp/to_scwrl_1480020244.pdb -s /var/tmp/to_scwrl_1480020244.seq -o /var/tmp/from_scwrl_1480020244.pdb > /var/tmp/scwrl_1480020244.log sh: /var/tmp/scwrl_1480020244.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1480020244.pdb or /var/tmp/from_scwrl_1480020244.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1480020244_b.pdb or decoys//var/tmp/from_scwrl_1480020244_b.pdb.gz for input Trying /var/tmp/from_scwrl_1480020244_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1480020244_b.pdb or /var/tmp/from_scwrl_1480020244_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1480020244_a.pdb or decoys//var/tmp/from_scwrl_1480020244_a.pdb.gz for input Trying /var/tmp/from_scwrl_1480020244_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1480020244_a.pdb or /var/tmp/from_scwrl_1480020244_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1480020244.pdb or /var/tmp/from_scwrl_1480020244_b.pdb or /var/tmp/from_scwrl_1480020244_a.pdb Error: no new SCWRL conformation added # 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 214 # copying to AlignedFragments data structure # naming current conformation keasar-server_TS3 # request to SCWRL produces command: ulimit -t 216 ; scwrl3 -i /var/tmp/to_scwrl_792688813.pdb -s /var/tmp/to_scwrl_792688813.seq -o /var/tmp/from_scwrl_792688813.pdb > /var/tmp/scwrl_792688813.log sh: /var/tmp/scwrl_792688813.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_792688813.pdb or /var/tmp/from_scwrl_792688813.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_792688813_b.pdb or decoys//var/tmp/from_scwrl_792688813_b.pdb.gz for input Trying /var/tmp/from_scwrl_792688813_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_792688813_b.pdb or /var/tmp/from_scwrl_792688813_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_792688813_a.pdb or decoys//var/tmp/from_scwrl_792688813_a.pdb.gz for input Trying /var/tmp/from_scwrl_792688813_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_792688813_a.pdb or /var/tmp/from_scwrl_792688813_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_792688813.pdb or /var/tmp/from_scwrl_792688813_b.pdb or /var/tmp/from_scwrl_792688813_a.pdb Error: no new SCWRL conformation added # naming current conformation keasar-server_TS3-scwrl # ReadConformPDB reading from PDB file servers/keasar-server_TS4.pdb.gz looking for model 1 # Found a chain break before 213 # copying to AlignedFragments data structure # naming current conformation keasar-server_TS4 # request to SCWRL produces command: ulimit -t 216 ; scwrl3 -i /var/tmp/to_scwrl_1309901564.pdb -s /var/tmp/to_scwrl_1309901564.seq -o /var/tmp/from_scwrl_1309901564.pdb > /var/tmp/scwrl_1309901564.log sh: /var/tmp/scwrl_1309901564.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1309901564.pdb or /var/tmp/from_scwrl_1309901564.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1309901564_b.pdb or decoys//var/tmp/from_scwrl_1309901564_b.pdb.gz for input Trying /var/tmp/from_scwrl_1309901564_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1309901564_b.pdb or /var/tmp/from_scwrl_1309901564_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1309901564_a.pdb or decoys//var/tmp/from_scwrl_1309901564_a.pdb.gz for input Trying /var/tmp/from_scwrl_1309901564_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1309901564_a.pdb or /var/tmp/from_scwrl_1309901564_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1309901564.pdb or /var/tmp/from_scwrl_1309901564_b.pdb or /var/tmp/from_scwrl_1309901564_a.pdb Error: no new SCWRL conformation added # 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 213 # copying to AlignedFragments data structure # naming current conformation keasar-server_TS5 # request to SCWRL produces command: ulimit -t 216 ; scwrl3 -i /var/tmp/to_scwrl_1066914237.pdb -s /var/tmp/to_scwrl_1066914237.seq -o /var/tmp/from_scwrl_1066914237.pdb > /var/tmp/scwrl_1066914237.log sh: /var/tmp/scwrl_1066914237.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1066914237.pdb or /var/tmp/from_scwrl_1066914237.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1066914237_b.pdb or decoys//var/tmp/from_scwrl_1066914237_b.pdb.gz for input Trying /var/tmp/from_scwrl_1066914237_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1066914237_b.pdb or /var/tmp/from_scwrl_1066914237_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1066914237_a.pdb or decoys//var/tmp/from_scwrl_1066914237_a.pdb.gz for input Trying /var/tmp/from_scwrl_1066914237_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1066914237_a.pdb or /var/tmp/from_scwrl_1066914237_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1066914237.pdb or /var/tmp/from_scwrl_1066914237_b.pdb or /var/tmp/from_scwrl_1066914237_a.pdb Error: no new SCWRL conformation added # 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 T0329 can't currently be optimized by undertaker # naming current conformation mGen-3D_TS1 # request to SCWRL produces command: ulimit -t 216 ; scwrl3 -i /var/tmp/to_scwrl_1712946045.pdb -s /var/tmp/to_scwrl_1712946045.seq -o /var/tmp/from_scwrl_1712946045.pdb > /var/tmp/scwrl_1712946045.log sh: /var/tmp/scwrl_1712946045.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1712946045.pdb or /var/tmp/from_scwrl_1712946045.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1712946045_b.pdb or decoys//var/tmp/from_scwrl_1712946045_b.pdb.gz for input Trying /var/tmp/from_scwrl_1712946045_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1712946045_b.pdb or /var/tmp/from_scwrl_1712946045_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1712946045_a.pdb or decoys//var/tmp/from_scwrl_1712946045_a.pdb.gz for input Trying /var/tmp/from_scwrl_1712946045_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1712946045_a.pdb or /var/tmp/from_scwrl_1712946045_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1712946045.pdb or /var/tmp/from_scwrl_1712946045_b.pdb or /var/tmp/from_scwrl_1712946045_a.pdb Error: no new SCWRL conformation added # naming current conformation mGen-3D_TS1-scwrl # ReadConformPDB reading from PDB file servers/nFOLD_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0329 can't currently be optimized by undertaker # naming current conformation nFOLD_TS1 # request to SCWRL produces command: ulimit -t 216 ; scwrl3 -i /var/tmp/to_scwrl_215359594.pdb -s /var/tmp/to_scwrl_215359594.seq -o /var/tmp/from_scwrl_215359594.pdb > /var/tmp/scwrl_215359594.log sh: /var/tmp/scwrl_215359594.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_215359594.pdb or /var/tmp/from_scwrl_215359594.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_215359594_b.pdb or decoys//var/tmp/from_scwrl_215359594_b.pdb.gz for input Trying /var/tmp/from_scwrl_215359594_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_215359594_b.pdb or /var/tmp/from_scwrl_215359594_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_215359594_a.pdb or decoys//var/tmp/from_scwrl_215359594_a.pdb.gz for input Trying /var/tmp/from_scwrl_215359594_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_215359594_a.pdb or /var/tmp/from_scwrl_215359594_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_215359594.pdb or /var/tmp/from_scwrl_215359594_b.pdb or /var/tmp/from_scwrl_215359594_a.pdb Error: no new SCWRL conformation added # naming current conformation nFOLD_TS1-scwrl # ReadConformPDB reading from PDB file servers/nFOLD_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0329 can't currently be optimized by undertaker # naming current conformation nFOLD_TS2 # request to SCWRL produces command: ulimit -t 216 ; scwrl3 -i /var/tmp/to_scwrl_1659211739.pdb -s /var/tmp/to_scwrl_1659211739.seq -o /var/tmp/from_scwrl_1659211739.pdb > /var/tmp/scwrl_1659211739.log sh: /var/tmp/scwrl_1659211739.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1659211739.pdb or /var/tmp/from_scwrl_1659211739.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1659211739_b.pdb or decoys//var/tmp/from_scwrl_1659211739_b.pdb.gz for input Trying /var/tmp/from_scwrl_1659211739_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1659211739_b.pdb or /var/tmp/from_scwrl_1659211739_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1659211739_a.pdb or decoys//var/tmp/from_scwrl_1659211739_a.pdb.gz for input Trying /var/tmp/from_scwrl_1659211739_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1659211739_a.pdb or /var/tmp/from_scwrl_1659211739_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1659211739.pdb or /var/tmp/from_scwrl_1659211739_b.pdb or /var/tmp/from_scwrl_1659211739_a.pdb Error: no new SCWRL conformation added # naming current conformation nFOLD_TS2-scwrl # ReadConformPDB reading from PDB file servers/nFOLD_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0329 can't currently be optimized by undertaker # naming current conformation nFOLD_TS3 # request to SCWRL produces command: ulimit -t 216 ; scwrl3 -i /var/tmp/to_scwrl_1875850111.pdb -s /var/tmp/to_scwrl_1875850111.seq -o /var/tmp/from_scwrl_1875850111.pdb > /var/tmp/scwrl_1875850111.log sh: /var/tmp/scwrl_1875850111.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1875850111.pdb or /var/tmp/from_scwrl_1875850111.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1875850111_b.pdb or decoys//var/tmp/from_scwrl_1875850111_b.pdb.gz for input Trying /var/tmp/from_scwrl_1875850111_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1875850111_b.pdb or /var/tmp/from_scwrl_1875850111_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1875850111_a.pdb or decoys//var/tmp/from_scwrl_1875850111_a.pdb.gz for input Trying /var/tmp/from_scwrl_1875850111_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1875850111_a.pdb or /var/tmp/from_scwrl_1875850111_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1875850111.pdb or /var/tmp/from_scwrl_1875850111_b.pdb or /var/tmp/from_scwrl_1875850111_a.pdb Error: no new SCWRL conformation added # naming current conformation nFOLD_TS3-scwrl # ReadConformPDB reading from PDB file servers/nFOLD_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0329 can't currently be optimized by undertaker # naming current conformation nFOLD_TS4 # request to SCWRL produces command: ulimit -t 216 ; scwrl3 -i /var/tmp/to_scwrl_952099757.pdb -s /var/tmp/to_scwrl_952099757.seq -o /var/tmp/from_scwrl_952099757.pdb > /var/tmp/scwrl_952099757.log sh: /var/tmp/scwrl_952099757.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_952099757.pdb or /var/tmp/from_scwrl_952099757.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_952099757_b.pdb or decoys//var/tmp/from_scwrl_952099757_b.pdb.gz for input Trying /var/tmp/from_scwrl_952099757_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_952099757_b.pdb or /var/tmp/from_scwrl_952099757_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_952099757_a.pdb or decoys//var/tmp/from_scwrl_952099757_a.pdb.gz for input Trying /var/tmp/from_scwrl_952099757_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_952099757_a.pdb or /var/tmp/from_scwrl_952099757_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_952099757.pdb or /var/tmp/from_scwrl_952099757_b.pdb or /var/tmp/from_scwrl_952099757_a.pdb Error: no new SCWRL conformation added # naming current conformation nFOLD_TS4-scwrl # ReadConformPDB reading from PDB file servers/nFOLD_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0329 can't currently be optimized by undertaker # naming current conformation nFOLD_TS5 # request to SCWRL produces command: ulimit -t 216 ; scwrl3 -i /var/tmp/to_scwrl_459688189.pdb -s /var/tmp/to_scwrl_459688189.seq -o /var/tmp/from_scwrl_459688189.pdb > /var/tmp/scwrl_459688189.log sh: /var/tmp/scwrl_459688189.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_459688189.pdb or /var/tmp/from_scwrl_459688189.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_459688189_b.pdb or decoys//var/tmp/from_scwrl_459688189_b.pdb.gz for input Trying /var/tmp/from_scwrl_459688189_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_459688189_b.pdb or /var/tmp/from_scwrl_459688189_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_459688189_a.pdb or decoys//var/tmp/from_scwrl_459688189_a.pdb.gz for input Trying /var/tmp/from_scwrl_459688189_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_459688189_a.pdb or /var/tmp/from_scwrl_459688189_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_459688189.pdb or /var/tmp/from_scwrl_459688189_b.pdb or /var/tmp/from_scwrl_459688189_a.pdb Error: no new SCWRL conformation added # naming current conformation nFOLD_TS5-scwrl # ReadConformPDB reading from PDB file servers/panther2_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0329 can't currently be optimized by undertaker # naming current conformation panther2_TS1 # request to SCWRL produces command: ulimit -t 216 ; scwrl3 -i /var/tmp/to_scwrl_845937835.pdb -s /var/tmp/to_scwrl_845937835.seq -o /var/tmp/from_scwrl_845937835.pdb > /var/tmp/scwrl_845937835.log sh: /var/tmp/scwrl_845937835.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_845937835.pdb or /var/tmp/from_scwrl_845937835.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_845937835_b.pdb or decoys//var/tmp/from_scwrl_845937835_b.pdb.gz for input Trying /var/tmp/from_scwrl_845937835_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_845937835_b.pdb or /var/tmp/from_scwrl_845937835_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_845937835_a.pdb or decoys//var/tmp/from_scwrl_845937835_a.pdb.gz for input Trying /var/tmp/from_scwrl_845937835_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_845937835_a.pdb or /var/tmp/from_scwrl_845937835_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_845937835.pdb or /var/tmp/from_scwrl_845937835_b.pdb or /var/tmp/from_scwrl_845937835_a.pdb Error: no new SCWRL conformation added # naming current conformation panther2_TS1-scwrl # ReadConformPDB reading from PDB file servers/shub_TS1.pdb.gz looking for model 1 # Found a chain break before 238 # copying to AlignedFragments data structure # naming current conformation shub_TS1 # request to SCWRL produces command: ulimit -t 216 ; scwrl3 -i /var/tmp/to_scwrl_998549818.pdb -s /var/tmp/to_scwrl_998549818.seq -o /var/tmp/from_scwrl_998549818.pdb > /var/tmp/scwrl_998549818.log sh: /var/tmp/scwrl_998549818.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_998549818.pdb or /var/tmp/from_scwrl_998549818.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_998549818_b.pdb or decoys//var/tmp/from_scwrl_998549818_b.pdb.gz for input Trying /var/tmp/from_scwrl_998549818_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_998549818_b.pdb or /var/tmp/from_scwrl_998549818_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_998549818_a.pdb or decoys//var/tmp/from_scwrl_998549818_a.pdb.gz for input Trying /var/tmp/from_scwrl_998549818_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_998549818_a.pdb or /var/tmp/from_scwrl_998549818_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_998549818.pdb or /var/tmp/from_scwrl_998549818_b.pdb or /var/tmp/from_scwrl_998549818_a.pdb Error: no new SCWRL conformation added # naming current conformation shub_TS1-scwrl # command:CPU_time= 49.792 sec, elapsed time= 58.659 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 77.165 real_cost = -19.926 panther2_TS1-scwrl costs 61.660 real_cost = 30.351 nFOLD_TS5-scwrl costs 55.124 real_cost = 148.401 nFOLD_TS4-scwrl costs 55.838 real_cost = 74.276 nFOLD_TS3-scwrl costs 59.186 real_cost = 202.483 nFOLD_TS2-scwrl costs 61.487 real_cost = 161.109 nFOLD_TS1-scwrl costs 55.592 real_cost = 193.830 mGen-3D_TS1-scwrl costs 52.593 real_cost = 73.079 keasar-server_TS5-scwrl costs 52.894 real_cost = -43.375 keasar-server_TS4-scwrl costs 59.050 real_cost = -31.644 keasar-server_TS3-scwrl costs 59.854 real_cost = -16.335 keasar-server_TS2-scwrl costs 59.865 real_cost = -29.464 keasar-server_TS1-scwrl costs 63.361 real_cost = -20.408 karypis.srv_TS4-scwrl costs 61.934 real_cost = 49.523 karypis.srv_TS3-scwrl costs 58.163 real_cost = 45.986 karypis.srv_TS2-scwrl costs 56.055 real_cost = -6.838 karypis.srv_TS1-scwrl costs 41.330 real_cost = -36.087 karypis.srv.4_TS5-scwrl costs 144.141 real_cost = 287.930 karypis.srv.4_TS4-scwrl costs 124.158 real_cost = 257.998 karypis.srv.4_TS3-scwrl costs 136.400 real_cost = 299.279 karypis.srv.4_TS2-scwrl costs 120.643 real_cost = 274.607 karypis.srv.4_TS1-scwrl costs 142.003 real_cost = 250.490 karypis.srv.2_TS5-scwrl costs 46.151 real_cost = -39.594 karypis.srv.2_TS4-scwrl costs 43.373 real_cost = -42.188 karypis.srv.2_TS3-scwrl costs 50.337 real_cost = -38.578 karypis.srv.2_TS2-scwrl costs 50.462 real_cost = -35.826 karypis.srv.2_TS1-scwrl costs 46.327 real_cost = -48.226 gtg_AL5-scwrl costs 108.392 real_cost = 371.402 gtg_AL4-scwrl costs 80.873 real_cost = 267.369 gtg_AL3-scwrl costs 75.854 real_cost = 258.018 gtg_AL2-scwrl costs 65.900 real_cost = 176.349 gtg_AL1-scwrl costs 57.260 real_cost = 120.425 forecast-s_AL5-scwrl costs 78.233 real_cost = 302.084 forecast-s_AL4-scwrl costs 66.443 real_cost = 228.262 forecast-s_AL3-scwrl costs 81.334 real_cost = 357.781 forecast-s_AL2-scwrl costs 48.231 real_cost = 129.431 forecast-s_AL1-scwrl costs 55.949 real_cost = 161.070 beautshotbase_TS1-scwrl costs 51.209 real_cost = -22.918 beautshot_TS1-scwrl costs 63.804 real_cost = -37.699 Zhang-Server_TS5-scwrl costs 97.352 real_cost = 86.850 Zhang-Server_TS4-scwrl costs 54.583 real_cost = -103.183 Zhang-Server_TS3-scwrl costs 41.842 real_cost = -133.559 Zhang-Server_TS2-scwrl costs 59.719 real_cost = -119.569 Zhang-Server_TS1-scwrl costs 43.658 real_cost = -113.314 UNI-EID_sfst_AL5-scwrl costs 51.198 real_cost = 111.059 UNI-EID_sfst_AL4-scwrl costs 54.623 real_cost = 177.592 UNI-EID_sfst_AL3-scwrl costs 53.607 real_cost = 110.511 UNI-EID_sfst_AL2-scwrl costs 48.915 real_cost = 137.137 UNI-EID_sfst_AL1-scwrl costs 47.419 real_cost = 57.139 UNI-EID_expm_TS1-scwrl costs 80.469 real_cost = 56.881 UNI-EID_bnmx_TS5-scwrl costs 54.622 real_cost = 111.244 UNI-EID_bnmx_TS4-scwrl costs 53.745 real_cost = 179.334 UNI-EID_bnmx_TS3-scwrl costs 53.607 real_cost = 110.511 UNI-EID_bnmx_TS2-scwrl costs 48.915 real_cost = 137.137 UNI-EID_bnmx_TS1-scwrl costs 47.421 real_cost = 57.466 SPARKS2_TS5-scwrl costs 62.595 real_cost = 11.317 SPARKS2_TS4-scwrl costs 50.845 real_cost = 39.451 SPARKS2_TS3-scwrl costs 70.407 real_cost = 55.743 SPARKS2_TS2-scwrl costs 56.050 real_cost = 34.237 SPARKS2_TS1-scwrl costs 58.008 real_cost = -36.758 SP4_TS5-scwrl costs 63.064 real_cost = 50.218 SP4_TS4-scwrl costs 50.685 real_cost = 31.144 SP4_TS3-scwrl costs 52.446 real_cost = 42.483 SP4_TS2-scwrl costs 59.592 real_cost = -31.517 SP4_TS1-scwrl costs 50.029 real_cost = -45.856 SP3_TS5-scwrl costs 70.407 real_cost = 55.743 SP3_TS4-scwrl costs 55.463 real_cost = 40.803 SP3_TS3-scwrl costs 45.625 real_cost = -33.340 SP3_TS2-scwrl costs 49.277 real_cost = 16.553 SP3_TS1-scwrl costs 50.664 real_cost = -43.012 SAM_T06_server_TS5-scwrl costs 64.790 real_cost = 23.366 SAM_T06_server_TS4-scwrl costs 63.002 real_cost = 27.040 SAM_T06_server_TS3-scwrl costs 64.644 real_cost = 81.583 SAM_T06_server_TS2-scwrl costs 55.681 real_cost = -40.778 SAM_T06_server_TS1-scwrl costs 56.526 real_cost = 3.735 SAM-T99_AL5-scwrl costs 67.578 real_cost = 174.331 SAM-T99_AL4-scwrl costs 46.542 real_cost = 125.158 SAM-T99_AL3-scwrl costs 55.943 real_cost = 251.024 SAM-T99_AL2-scwrl costs 48.444 real_cost = 128.403 SAM-T99_AL1-scwrl costs 48.034 real_cost = 61.456 SAM-T02_AL5-scwrl costs 57.477 real_cost = 239.369 SAM-T02_AL4-scwrl costs 49.245 real_cost = 165.039 SAM-T02_AL3-scwrl costs 67.044 real_cost = 213.171 SAM-T02_AL2-scwrl costs 57.037 real_cost = 185.308 SAM-T02_AL1-scwrl costs 51.050 real_cost = 93.939 ROKKY_TS5-scwrl costs 68.577 real_cost = 66.390 ROKKY_TS4-scwrl costs 61.766 real_cost = 45.795 ROKKY_TS3-scwrl costs 55.860 real_cost = 37.202 ROKKY_TS2-scwrl costs 66.008 real_cost = 2.246 ROKKY_TS1-scwrl costs 50.568 real_cost = -89.087 ROBETTA_TS5-scwrl costs 36.304 real_cost = -23.819 ROBETTA_TS4-scwrl costs 40.594 real_cost = 28.443 ROBETTA_TS3-scwrl costs 52.325 real_cost = 57.683 ROBETTA_TS2-scwrl costs 47.548 real_cost = 47.491 ROBETTA_TS1-scwrl costs 39.431 real_cost = 32.486 RAPTOR_TS5-scwrl costs 55.118 real_cost = 35.127 RAPTOR_TS4-scwrl costs 48.542 real_cost = -15.882 RAPTOR_TS3-scwrl costs 51.067 real_cost = -19.052 RAPTOR_TS2-scwrl costs 54.109 real_cost = -21.927 RAPTOR_TS1-scwrl costs 44.038 real_cost = -65.772 RAPTORESS_TS5-scwrl costs 60.068 real_cost = 27.901 RAPTORESS_TS4-scwrl costs 52.087 real_cost = 0.775 RAPTORESS_TS3-scwrl costs 56.983 real_cost = 2.196 RAPTORESS_TS2-scwrl costs 57.660 real_cost = -14.711 RAPTORESS_TS1-scwrl costs 51.510 real_cost = -47.301 RAPTOR-ACE_TS5-scwrl costs 55.890 real_cost = -40.897 RAPTOR-ACE_TS4-scwrl costs 50.664 real_cost = -43.012 RAPTOR-ACE_TS3-scwrl costs 45.625 real_cost = -33.340 RAPTOR-ACE_TS2-scwrl costs 42.795 real_cost = -47.149 RAPTOR-ACE_TS1-scwrl costs 45.744 real_cost = -46.215 Pmodeller6_TS5-scwrl costs 42.268 real_cost = -35.080 Pmodeller6_TS4-scwrl costs 42.268 real_cost = -35.080 Pmodeller6_TS3-scwrl costs 39.377 real_cost = -66.592 Pmodeller6_TS2-scwrl costs 36.304 real_cost = -23.819 Pmodeller6_TS1-scwrl costs 39.898 real_cost = -55.124 Phyre-2_TS5-scwrl costs 48.420 real_cost = -47.933 Phyre-2_TS4-scwrl costs 50.420 real_cost = -51.156 Phyre-2_TS3-scwrl costs 49.911 real_cost = -49.233 Phyre-2_TS2-scwrl costs 50.420 real_cost = -51.156 Phyre-2_TS1-scwrl costs 53.799 real_cost = -45.831 Phyre-1_TS1-scwrl costs 51.143 real_cost = -27.590 Pcons6_TS5-scwrl costs 42.095 real_cost = -46.521 Pcons6_TS4-scwrl costs 39.898 real_cost = -55.124 Pcons6_TS3-scwrl costs 42.144 real_cost = -82.573 Pcons6_TS2-scwrl costs 41.777 real_cost = -95.974 Pcons6_TS1-scwrl costs 42.726 real_cost = -93.094 PROTINFO_TS5-scwrl costs 64.091 real_cost = -7.743 PROTINFO_TS4-scwrl costs 70.176 real_cost = 54.306 PROTINFO_TS3-scwrl costs 63.431 real_cost = 0.652 PROTINFO_TS2-scwrl costs 44.869 real_cost = -53.534 PROTINFO_TS1-scwrl costs 62.109 real_cost = -14.504 PROTINFO-AB_TS5-scwrl costs 57.552 real_cost = -10.044 PROTINFO-AB_TS4-scwrl costs 55.628 real_cost = -16.592 PROTINFO-AB_TS3-scwrl costs 55.182 real_cost = -9.870 PROTINFO-AB_TS2-scwrl costs 52.741 real_cost = -16.016 PROTINFO-AB_TS1-scwrl costs 51.918 real_cost = -7.666 NN_PUT_lab_TS1-scwrl costs 55.592 real_cost = 193.830 MetaTasser_TS5-scwrl costs 60.436 real_cost = -39.842 MetaTasser_TS4-scwrl costs 60.429 real_cost = -30.211 MetaTasser_TS3-scwrl costs 63.529 real_cost = -65.022 MetaTasser_TS2-scwrl costs 58.977 real_cost = -60.727 MetaTasser_TS1-scwrl costs 70.302 real_cost = -31.448 Ma-OPUS-server_TS5-scwrl costs 56.139 real_cost = 23.961 Ma-OPUS-server_TS4-scwrl costs 44.621 real_cost = -41.479 Ma-OPUS-server_TS3-scwrl costs 55.581 real_cost = -31.741 Ma-OPUS-server_TS2-scwrl costs 57.657 real_cost = 33.402 Ma-OPUS-server_TS1-scwrl costs 53.774 real_cost = 37.605 Ma-OPUS-server2_TS5-scwrl costs 55.486 real_cost = -16.137 Ma-OPUS-server2_TS4-scwrl costs 45.453 real_cost = -35.911 Ma-OPUS-server2_TS3-scwrl costs 54.363 real_cost = -37.468 Ma-OPUS-server2_TS2-scwrl costs 57.657 real_cost = 33.402 Ma-OPUS-server2_TS1-scwrl costs 53.309 real_cost = 40.988 MIG_FROST_AL1-scwrl costs 147.303 real_cost = 394.296 LOOPP_TS5-scwrl costs 59.346 real_cost = 41.491 LOOPP_TS4-scwrl costs 60.476 real_cost = -4.980 LOOPP_TS3-scwrl costs 48.020 real_cost = -16.356 LOOPP_TS2-scwrl costs 63.758 real_cost = 3.580 LOOPP_TS1-scwrl costs 50.659 real_cost = -21.824 Huber-Torda-Server_TS5-scwrl costs 60.795 real_cost = 149.940 Huber-Torda-Server_TS4-scwrl costs 57.115 real_cost = 154.288 Huber-Torda-Server_TS3-scwrl costs 68.684 real_cost = 208.307 Huber-Torda-Server_TS2-scwrl costs 58.645 real_cost = 152.413 Huber-Torda-Server_TS1-scwrl costs 47.387 real_cost = 33.238 HHpred3_TS1-scwrl costs 43.304 real_cost = -91.485 HHpred2_TS1-scwrl costs 40.580 real_cost = -89.805 HHpred1_TS1-scwrl costs 42.093 real_cost = -62.330 GeneSilicoMetaServer_TS5-scwrl costs 60.913 real_cost = 1.055 GeneSilicoMetaServer_TS4-scwrl costs 48.173 real_cost = -26.300 GeneSilicoMetaServer_TS3-scwrl costs 60.275 real_cost = 0.871 GeneSilicoMetaServer_TS2-scwrl costs 41.191 real_cost = -32.476 GeneSilicoMetaServer_TS1-scwrl costs 50.240 real_cost = -47.127 Frankenstein_TS5-scwrl costs 84.740 real_cost = 102.464 Frankenstein_TS4-scwrl costs 53.652 real_cost = 38.947 Frankenstein_TS3-scwrl costs 53.113 real_cost = 31.243 Frankenstein_TS2-scwrl costs 54.189 real_cost = 29.456 Frankenstein_TS1-scwrl costs 54.034 real_cost = -31.538 FUNCTION_TS5-scwrl costs 58.918 real_cost = -19.186 FUNCTION_TS4-scwrl costs 60.487 real_cost = -13.399 FUNCTION_TS3-scwrl costs 65.195 real_cost = 10.232 FUNCTION_TS2-scwrl costs 60.029 real_cost = -0.752 FUNCTION_TS1-scwrl costs 57.375 real_cost = -86.071 FUGUE_AL4-scwrl costs 78.109 real_cost = 306.381 FUGUE_AL3-scwrl costs 50.372 real_cost = 125.509 FUGUE_AL2-scwrl costs 55.217 real_cost = 92.023 FUGUE_AL1-scwrl costs 63.020 real_cost = 238.715 FUGMOD_TS5-scwrl costs 63.598 real_cost = 103.075 FUGMOD_TS4-scwrl costs 135.161 real_cost = 263.987 FUGMOD_TS3-scwrl costs 45.389 real_cost = -29.477 FUGMOD_TS2-scwrl costs 50.306 real_cost = -53.272 FUGMOD_TS1-scwrl costs 65.713 real_cost = 83.561 FPSOLVER-SERVER_TS5-scwrl costs 117.550 real_cost = 291.851 FPSOLVER-SERVER_TS4-scwrl costs 124.175 real_cost = 303.698 FPSOLVER-SERVER_TS3-scwrl costs 117.046 real_cost = 300.068 FPSOLVER-SERVER_TS2-scwrl costs 110.715 real_cost = 277.706 FPSOLVER-SERVER_TS1-scwrl costs 115.176 real_cost = 278.912 FORTE2_AL5-scwrl costs 88.296 real_cost = 326.864 FORTE2_AL4-scwrl costs 56.704 real_cost = 180.486 FORTE2_AL3-scwrl costs 72.283 real_cost = 242.167 FORTE2_AL2-scwrl costs 58.678 real_cost = 139.525 FORTE2_AL1-scwrl costs 53.980 real_cost = 170.124 FORTE1_AL5-scwrl costs 56.953 real_cost = 193.193 FORTE1_AL4-scwrl costs 70.784 real_cost = 244.278 FORTE1_AL3-scwrl costs 89.607 real_cost = 319.734 FORTE1_AL2-scwrl costs 54.074 real_cost = 170.896 FORTE1_AL1-scwrl costs 58.641 real_cost = 138.101 FOLDpro_TS5-scwrl costs 100.231 real_cost = 250.573 FOLDpro_TS4-scwrl costs 93.818 real_cost = 261.507 FOLDpro_TS3-scwrl costs 102.415 real_cost = 196.600 FOLDpro_TS2-scwrl costs 110.100 real_cost = 271.791 FOLDpro_TS1-scwrl costs 45.736 real_cost = -36.078 FAMS_TS5-scwrl costs 52.838 real_cost = -90.410 FAMS_TS4-scwrl costs 57.343 real_cost = -83.274 FAMS_TS3-scwrl costs 48.372 real_cost = -78.565 FAMS_TS2-scwrl costs 48.372 real_cost = -78.565 FAMS_TS1-scwrl costs 57.375 real_cost = -86.071 FAMSD_TS5-scwrl costs 56.011 real_cost = -41.230 FAMSD_TS4-scwrl costs 52.838 real_cost = -90.410 FAMSD_TS3-scwrl costs 55.687 real_cost = 7.320 FAMSD_TS2-scwrl costs 51.943 real_cost = -81.614 FAMSD_TS1-scwrl costs 47.152 real_cost = -95.515 Distill_TS5-scwrl costs 239.175 real_cost = 488.126 Distill_TS4-scwrl costs 241.762 real_cost = 490.925 Distill_TS3-scwrl costs 240.711 real_cost = 476.268 Distill_TS2-scwrl costs 240.595 real_cost = 478.885 Distill_TS1-scwrl costs 241.203 real_cost = 474.174 CaspIta-FOX_TS5-scwrl costs 62.779 real_cost = 60.186 CaspIta-FOX_TS4-scwrl costs 53.327 real_cost = 72.116 CaspIta-FOX_TS3-scwrl costs 62.503 real_cost = -12.063 CaspIta-FOX_TS2-scwrl costs 61.797 real_cost = 47.706 CaspIta-FOX_TS1-scwrl costs 55.740 real_cost = 36.460 CPHmodels_TS1-scwrl costs 85.727 real_cost = 102.891 CIRCLE_TS5-scwrl costs 48.372 real_cost = -78.565 CIRCLE_TS4-scwrl costs 51.943 real_cost = -81.614 CIRCLE_TS3-scwrl costs 57.343 real_cost = -83.274 CIRCLE_TS2-scwrl costs 58.226 real_cost = -91.731 CIRCLE_TS1-scwrl costs 56.711 real_cost = -90.583 Bilab-ENABLE_TS5-scwrl costs 73.472 real_cost = 140.944 Bilab-ENABLE_TS4-scwrl costs 53.663 real_cost = -15.596 Bilab-ENABLE_TS3-scwrl costs 44.446 real_cost = -63.235 Bilab-ENABLE_TS2-scwrl costs 44.829 real_cost = -27.392 Bilab-ENABLE_TS1-scwrl costs 59.403 real_cost = -6.172 BayesHH_TS1-scwrl costs 40.872 real_cost = -94.987 ABIpro_TS5-scwrl costs 57.900 real_cost = 258.834 ABIpro_TS4-scwrl costs 61.080 real_cost = 259.772 ABIpro_TS3-scwrl costs 65.260 real_cost = 228.555 ABIpro_TS2-scwrl costs 54.390 real_cost = 220.324 ABIpro_TS1-scwrl costs 56.571 real_cost = 248.198 3Dpro_TS5-scwrl costs 105.878 real_cost = 287.504 3Dpro_TS4-scwrl costs 114.257 real_cost = 284.076 3Dpro_TS3-scwrl costs 106.591 real_cost = 293.469 3Dpro_TS2-scwrl costs 126.714 real_cost = 294.000 3Dpro_TS1-scwrl costs 47.593 real_cost = -21.542 3D-JIGSAW_TS5-scwrl costs 69.365 real_cost = 99.197 3D-JIGSAW_TS4-scwrl costs 54.652 real_cost = 0.199 3D-JIGSAW_TS3-scwrl costs 65.194 real_cost = 66.905 3D-JIGSAW_TS2-scwrl costs 62.643 real_cost = 80.949 3D-JIGSAW_TS1-scwrl costs 67.415 real_cost = 105.182 3D-JIGSAW_RECOM_TS5-scwrl costs 68.818 real_cost = 95.680 3D-JIGSAW_RECOM_TS4-scwrl costs 69.001 real_cost = 91.247 3D-JIGSAW_RECOM_TS3-scwrl costs 70.583 real_cost = 95.983 3D-JIGSAW_RECOM_TS2-scwrl costs 69.414 real_cost = 98.952 3D-JIGSAW_RECOM_TS1-scwrl costs 69.145 real_cost = 94.148 3D-JIGSAW_POPULUS_TS5-scwrl costs 54.245 real_cost = 31.422 3D-JIGSAW_POPULUS_TS4-scwrl costs 58.668 real_cost = 29.963 3D-JIGSAW_POPULUS_TS3-scwrl costs 55.812 real_cost = 23.970 3D-JIGSAW_POPULUS_TS2-scwrl costs 54.212 real_cost = 20.194 3D-JIGSAW_POPULUS_TS1-scwrl costs 52.516 real_cost = 9.020 T0329.try9-opt2.repack-nonPC.pdb.gz costs 62.143 real_cost = 38.707 T0329.try9-opt2.pdb.gz costs 62.143 real_cost = 37.483 T0329.try9-opt2.gromacs0.pdb.gz costs 41.630 real_cost = 38.871 T0329.try9-opt1.pdb.gz costs 50.230 real_cost = 37.762 T0329.try9-opt1-scwrl.pdb.gz costs 50.230 real_cost = 37.972 T0329.try8-opt2.repack-nonPC.pdb.gz costs 54.849 real_cost = -40.787 T0329.try8-opt2.pdb.gz costs 54.849 real_cost = -44.665 T0329.try8-opt2.gromacs0.pdb.gz costs 38.245 real_cost = -44.191 T0329.try8-opt1.pdb.gz costs 55.174 real_cost = -42.347 T0329.try8-opt1-scwrl.pdb.gz costs 55.174 real_cost = -43.095 T0329.try7-opt2.repack-nonPC.pdb.gz costs 60.063 real_cost = -39.564 T0329.try7-opt2.pdb.gz costs 60.063 real_cost = -40.696 T0329.try7-opt2.gromacs0.pdb.gz costs 37.023 real_cost = -42.849 T0329.try7-opt1.pdb.gz costs 55.613 real_cost = -41.191 T0329.try7-opt1-scwrl.pdb.gz costs 55.613 real_cost = -42.874 T0329.try6-opt2.repack-nonPC.pdb.gz costs 57.503 real_cost = -21.294 T0329.try6-opt2.pdb.gz costs 57.503 real_cost = -23.055 T0329.try6-opt2.gromacs0.pdb.gz costs 45.353 real_cost = -22.177 T0329.try6-opt1.pdb.gz costs 52.872 real_cost = -18.503 T0329.try6-opt1-scwrl.pdb.gz costs 52.872 real_cost = -19.959 T0329.try5-opt2.repack-nonPC.pdb.gz costs 56.411 real_cost = -31.409 T0329.try5-opt2.pdb.gz costs 56.411 real_cost = -34.519 T0329.try5-opt2.gromacs0.pdb.gz costs 37.551 real_cost = -32.141 T0329.try5-opt1.pdb.gz costs 54.835 real_cost = -34.026 T0329.try5-opt1-scwrl.pdb.gz costs 54.835 real_cost = -35.320 T0329.try4-opt2.repack-nonPC.pdb.gz costs 55.086 real_cost = -39.049 T0329.try4-opt2.pdb.gz costs 55.086 real_cost = -39.835 T0329.try4-opt2.gromacs0.pdb.gz costs 38.261 real_cost = -41.081 T0329.try4-opt1.pdb.gz costs 46.634 real_cost = -37.997 T0329.try4-opt1-scwrl.pdb.gz costs 46.634 real_cost = -39.514 T0329.try3-opt2.repack-nonPC.pdb.gz costs 52.270 real_cost = -45.705 T0329.try3-opt2.pdb.gz costs 52.270 real_cost = -43.550 T0329.try3-opt2.gromacs0.pdb.gz costs 41.992 real_cost = -50.315 T0329.try3-opt1.pdb.gz costs 45.367 real_cost = -48.661 T0329.try3-opt1-scwrl.pdb.gz costs 45.367 real_cost = -49.592 T0329.try2-opt2.repack-nonPC.pdb.gz costs 62.876 real_cost = 35.553 T0329.try2-opt2.pdb.gz costs 62.876 real_cost = 36.061 T0329.try2-opt2.gromacs0.pdb.gz costs 52.140 real_cost = 35.878 T0329.try2-opt1.pdb.gz costs 57.987 real_cost = 38.152 T0329.try2-opt1-scwrl.pdb.gz costs 57.987 real_cost = 39.301 T0329.try14-opt2.repack-nonPC.pdb.gz costs 50.925 real_cost = 25.238 T0329.try14-opt2.pdb.gz costs 50.925 real_cost = 27.796 T0329.try14-opt2.gromacs0.pdb.gz costs 38.530 real_cost = 28.906 T0329.try14-opt1.pdb.gz costs 47.658 real_cost = 28.236 T0329.try14-opt1-scwrl.pdb.gz costs 47.658 real_cost = 24.673 T0329.try13-opt2.repack-nonPC.pdb.gz costs 50.233 real_cost = -42.750 T0329.try13-opt2.pdb.gz costs 50.233 real_cost = -44.267 T0329.try13-opt2.gromacs0.pdb.gz costs 38.719 real_cost = -43.882 T0329.try13-opt1.pdb.gz costs 47.418 real_cost = -45.664 T0329.try13-opt1-scwrl.pdb.gz costs 47.418 real_cost = -43.668 T0329.try12-opt2.repack-nonPC.pdb.gz costs 56.424 real_cost = -28.194 T0329.try12-opt2.pdb.gz costs 56.424 real_cost = -33.317 T0329.try12-opt2.gromacs0.pdb.gz costs 40.983 real_cost = -31.366 T0329.try12-opt1.pdb.gz costs 57.468 real_cost = -35.382 T0329.try12-opt1-scwrl.pdb.gz costs 57.468 real_cost = -34.250 T0329.try11-opt2.repack-nonPC.pdb.gz costs 59.963 real_cost = -87.336 T0329.try11-opt2.pdb.gz costs 59.963 real_cost = -91.441 T0329.try11-opt2.gromacs0.pdb.gz costs 42.264 real_cost = -88.045 T0329.try11-opt1.pdb.gz costs 53.743 real_cost = -88.661 T0329.try11-opt1-scwrl.pdb.gz costs 53.743 real_cost = -89.495 T0329.try10-opt2.repack-nonPC.pdb.gz costs 57.690 real_cost = 27.934 T0329.try10-opt2.pdb.gz costs 57.690 real_cost = 29.570 T0329.try10-opt2.gromacs0.pdb.gz costs 38.693 real_cost = 28.047 T0329.try10-opt1.pdb.gz costs 54.821 real_cost = 34.678 T0329.try10-opt1-scwrl.pdb.gz costs 54.821 real_cost = 34.169 ../model5.ts-submitted costs 43.889 real_cost = -13.785 ../model4.ts-submitted costs 57.155 real_cost = -45.903 ../model3.ts-submitted costs 55.086 real_cost = -39.174 ../model2.ts-submitted costs 51.041 real_cost = -44.247 ../model1.ts-submitted costs 50.925 real_cost = 27.759 align5 costs 42.402 real_cost = -12.782 align4 costs 59.196 real_cost = 21.513 align3 costs 64.214 real_cost = 28.749 align2 costs 60.579 real_cost = 74.220 align1 costs 50.667 real_cost = -52.775 model5-scwrl costs 43.889 real_cost = -13.785 model4-scwrl costs 57.155 real_cost = -45.903 model3-scwrl costs 55.086 real_cost = -39.174 model2-scwrl costs 51.041 real_cost = -44.247 model1-scwrl costs 50.925 real_cost = 27.759 2hi0A costs 30.094 real_cost = -891.000 # command:CPU_time= 1156.464 sec, elapsed time= 1167.277 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/T0329'