make[1]: Entering directory `/projects/compbio/experiments/protein-predict/casp7/T0330' /projects/compbio/experiments/protein-predict/casp7/starter-directory/Make.main:725: SECONDARY_TARGET = T0330.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/T0330.} ;\ 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/T0330/ -e s/START_COL/1/ \ -e s/COSTFCN/anglevector/ \ -e s/_domain// \ -e s/read-pdb/read-pdb+servers/ \ -e s/REAL_PDB/2hcfA/ \ < /projects/compbio/experiments/protein-predict/casp7/starter-directory/evaluate.under \ | nice -2 /cse/grads/jarchie/projects/cvs/karplus/undertaker/undertaker # command:# Seed set to 1183443766 # 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= 6.752 sec, elapsed time= 6.823 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= 6.833 sec, elapsed time= 6.936 sec. # command:# Prefix for input files set to # command:# Making conformation for sequence T0330 numbered 1 through 233 Created new target T0330 from T0330.a2m # command:# command:# No conformations to remove in PopConform # command:# cleared Id set # command:# command:2hcfA expands to /projects/compbio/data/pdb/2hcf.pdb.gz 2hcfA: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 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 1384, because occupancy 0.5 <= existing 0.500 in 2hcfA Skipped atom 1388, because occupancy 0.500 <= existing 0.500 in 2hcfA Skipped atom 1390, because occupancy 0.500 <= existing 0.500 in 2hcfA Skipped atom 1392, because occupancy 0.500 <= existing 0.500 in 2hcfA Skipped atom 1394, because occupancy 0.500 <= existing 0.500 in 2hcfA Skipped atom 1396, because occupancy 0.500 <= existing 0.500 in 2hcfA Skipped atom 1398, because occupancy 0.500 <= existing 0.500 in 2hcfA Skipped atom 1400, because occupancy 0.500 <= existing 0.500 in 2hcfA Skipped atom 1442, because occupancy 0.500 <= existing 0.500 in 2hcfA Skipped atom 1446, because occupancy 0.500 <= existing 0.500 in 2hcfA Skipped atom 1448, because occupancy 0.500 <= existing 0.500 in 2hcfA Skipped atom 1450, because occupancy 0.500 <= existing 0.500 in 2hcfA Skipped atom 1452, because occupancy 0.500 <= existing 0.500 in 2hcfA 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 225 residues and 1744 atoms. # WARNING: incomplete conformation T0330 can't currently be optimized by undertaker # 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= 9.873 sec, elapsed time= 10.099 sec. # command:# Prefix for input files set to # command:# ReadConformPDB reading from PDB file model1.ts-submitted looking for model 1 # choosing archetypes in rotamer library # Found a chain break before 227 # 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 = -54.778 # GDT_score(maxd=8.000,maxw=2.900)= -55.727 # GDT_score(maxd=8.000,maxw=3.200)= -52.444 # GDT_score(maxd=8.000,maxw=3.500)= -49.304 # GDT_score(maxd=10.000,maxw=3.800)= -53.400 # GDT_score(maxd=10.000,maxw=4.000)= -51.376 # GDT_score(maxd=10.000,maxw=4.200)= -49.427 # GDT_score(maxd=12.000,maxw=4.300)= -53.927 # GDT_score(maxd=12.000,maxw=4.500)= -51.976 # GDT_score(maxd=12.000,maxw=4.700)= -50.105 # GDT_score(maxd=14.000,maxw=5.200)= -49.895 # GDT_score(maxd=14.000,maxw=5.500)= -47.453 # command:# Prefix for output files set to # command:Warning: Couldn't open file T0330.model1-real.pdb for output Error: Couldn't open file T0330.model1-real.pdb for output superimposing iter= 0 total_weight= 2644.000 rmsd (weighted)= 5.869 (unweighted)= 14.256 superimposing iter= 1 total_weight= 5975.763 rmsd (weighted)= 2.930 (unweighted)= 14.224 superimposing iter= 2 total_weight= 3112.516 rmsd (weighted)= 2.113 (unweighted)= 14.230 superimposing iter= 3 total_weight= 2352.802 rmsd (weighted)= 1.777 (unweighted)= 14.247 superimposing iter= 4 total_weight= 2043.979 rmsd (weighted)= 1.614 (unweighted)= 14.266 superimposing iter= 5 total_weight= 1909.371 rmsd (weighted)= 1.523 (unweighted)= 14.288 EXPDTA model1.ts-submitted MODEL 1 REMARK 44 REMARK 44 model 1 is called model1.ts-submitted ATOM 1 N MET A 1 24.989 52.577 39.404 1.00 0.00 ATOM 2 CA MET A 1 25.958 51.971 38.480 1.00 0.00 ATOM 3 CB MET A 1 25.507 50.727 37.706 1.00 0.00 ATOM 4 CG MET A 1 24.290 50.939 36.831 1.00 0.00 ATOM 5 SD MET A 1 23.454 49.407 36.339 1.00 0.00 ATOM 6 CE MET A 1 21.971 50.116 35.669 1.00 0.00 ATOM 7 O MET A 1 25.392 53.858 37.163 1.00 0.00 ATOM 8 C MET A 1 26.231 53.047 37.476 1.00 0.00 ATOM 9 N SER A 2 27.423 52.959 36.944 1.00 0.00 ATOM 10 CA SER A 2 27.755 53.844 35.833 1.00 0.00 ATOM 11 CB SER A 2 29.217 53.726 35.470 1.00 0.00 ATOM 12 OG SER A 2 29.578 52.362 35.229 1.00 0.00 ATOM 13 O SER A 2 26.328 54.502 34.033 1.00 0.00 ATOM 14 C SER A 2 26.807 53.571 34.648 1.00 0.00 ATOM 15 N ARG A 3 26.324 52.348 34.519 1.00 0.00 ATOM 16 CA ARG A 3 25.323 52.021 33.492 1.00 0.00 ATOM 17 CB ARG A 3 25.102 50.524 33.393 1.00 0.00 ATOM 18 CG ARG A 3 26.410 49.818 33.048 1.00 0.00 ATOM 19 CD ARG A 3 26.104 48.346 33.088 1.00 0.00 ATOM 20 NE ARG A 3 27.250 47.506 32.774 1.00 0.00 ATOM 21 CZ ARG A 3 27.212 46.165 32.762 1.00 0.00 ATOM 22 NH1 ARG A 3 28.301 45.476 32.484 1.00 0.00 ATOM 23 NH2 ARG A 3 26.098 45.488 33.039 1.00 0.00 ATOM 24 O ARG A 3 23.392 52.604 34.810 1.00 0.00 ATOM 25 C ARG A 3 23.971 52.698 33.749 1.00 0.00 ATOM 26 N THR A 4 23.583 53.485 32.774 1.00 0.00 ATOM 27 CA THR A 4 22.269 54.165 32.750 1.00 0.00 ATOM 28 CB THR A 4 22.468 55.673 32.999 1.00 0.00 ATOM 29 CG2 THR A 4 21.181 56.502 32.889 1.00 0.00 ATOM 30 OG1 THR A 4 23.046 55.822 34.293 1.00 0.00 ATOM 31 O THR A 4 20.327 53.930 31.285 1.00 0.00 ATOM 32 C THR A 4 21.546 53.813 31.446 1.00 0.00 ATOM 33 N LEU A 5 22.361 53.483 30.461 1.00 0.00 ATOM 34 CA LEU A 5 21.921 53.030 29.147 1.00 0.00 ATOM 35 CB LEU A 5 22.311 54.028 28.058 1.00 0.00 ATOM 36 CG LEU A 5 21.704 55.406 28.326 1.00 0.00 ATOM 37 CD1 LEU A 5 22.162 56.453 27.327 1.00 0.00 ATOM 38 CD2 LEU A 5 20.220 55.337 28.062 1.00 0.00 ATOM 39 O LEU A 5 23.720 51.407 28.945 1.00 0.00 ATOM 40 C LEU A 5 22.524 51.687 28.806 1.00 0.00 ATOM 41 N VAL A 6 21.623 50.928 28.226 1.00 0.00 ATOM 42 CA VAL A 6 21.975 49.613 27.679 1.00 0.00 ATOM 43 CB VAL A 6 21.284 48.497 28.469 1.00 0.00 ATOM 44 CG1 VAL A 6 21.635 47.145 27.880 1.00 0.00 ATOM 45 CG2 VAL A 6 21.643 48.516 29.959 1.00 0.00 ATOM 46 O VAL A 6 20.476 49.852 25.815 1.00 0.00 ATOM 47 C VAL A 6 21.612 49.559 26.204 1.00 0.00 ATOM 48 N LEU A 7 22.578 49.216 25.406 1.00 0.00 ATOM 49 CA LEU A 7 22.382 49.134 23.965 1.00 0.00 ATOM 50 CB LEU A 7 23.439 49.972 23.263 1.00 0.00 ATOM 51 CG LEU A 7 23.331 51.416 23.742 1.00 0.00 ATOM 52 CD1 LEU A 7 24.652 52.115 23.518 1.00 0.00 ATOM 53 CD2 LEU A 7 22.132 52.146 23.122 1.00 0.00 ATOM 54 O LEU A 7 23.427 46.969 24.045 1.00 0.00 ATOM 55 C LEU A 7 22.525 47.663 23.582 1.00 0.00 ATOM 56 N PHE A 8 21.531 47.223 22.816 1.00 0.00 ATOM 57 CA PHE A 8 21.527 45.871 22.264 1.00 0.00 ATOM 58 CB PHE A 8 20.176 45.181 22.374 1.00 0.00 ATOM 59 CG PHE A 8 19.873 44.804 23.807 1.00 0.00 ATOM 60 CD1 PHE A 8 20.291 43.597 24.335 1.00 0.00 ATOM 61 CD2 PHE A 8 19.158 45.699 24.580 1.00 0.00 ATOM 62 CE1 PHE A 8 19.998 43.270 25.636 1.00 0.00 ATOM 63 CE2 PHE A 8 18.873 45.388 25.892 1.00 0.00 ATOM 64 CZ PHE A 8 19.291 44.177 26.427 1.00 0.00 ATOM 65 O PHE A 8 21.208 46.670 20.028 1.00 0.00 ATOM 66 C PHE A 8 21.808 45.883 20.771 1.00 0.00 ATOM 67 N ASP A 9 22.570 44.852 20.427 1.00 0.00 ATOM 68 CA ASP A 9 22.760 44.443 19.033 1.00 0.00 ATOM 69 CB ASP A 9 24.004 43.546 18.849 1.00 0.00 ATOM 70 CG ASP A 9 24.573 43.682 17.429 1.00 0.00 ATOM 71 OD1 ASP A 9 24.055 44.523 16.659 1.00 0.00 ATOM 72 OD2 ASP A 9 25.482 42.918 17.051 1.00 0.00 ATOM 73 O ASP A 9 20.655 43.339 19.378 1.00 0.00 ATOM 74 C ASP A 9 21.467 43.794 18.570 1.00 0.00 ATOM 75 N ILE A 10 21.262 43.709 17.251 1.00 0.00 ATOM 76 CA ILE A 10 20.070 43.075 16.724 1.00 0.00 ATOM 77 CB ILE A 10 19.536 43.757 15.466 1.00 0.00 ATOM 78 CG1 ILE A 10 18.850 45.089 15.710 1.00 0.00 ATOM 79 CG2 ILE A 10 18.476 43.006 14.719 1.00 0.00 ATOM 80 CD1 ILE A 10 18.212 45.668 16.954 1.00 0.00 ATOM 81 O ILE A 10 19.693 40.746 17.151 1.00 0.00 ATOM 82 C ILE A 10 20.255 41.585 16.450 1.00 0.00 ATOM 83 N ASP A 11 21.017 41.247 15.383 1.00 0.00 ATOM 84 CA ASP A 11 21.236 39.841 15.068 1.00 0.00 ATOM 85 CB ASP A 11 21.958 39.696 13.737 1.00 0.00 ATOM 86 CG ASP A 11 21.172 40.191 12.504 1.00 0.00 ATOM 87 OD1 ASP A 11 19.923 40.336 12.570 1.00 0.00 ATOM 88 OD2 ASP A 11 21.759 40.247 11.408 1.00 0.00 ATOM 89 O ASP A 11 22.872 39.518 16.783 1.00 0.00 ATOM 90 C ASP A 11 21.916 39.048 16.185 1.00 0.00 ATOM 91 N GLY A 12 21.391 37.858 16.485 1.00 0.00 ATOM 92 CA GLY A 12 21.986 37.004 17.505 1.00 0.00 ATOM 93 O GLY A 12 22.165 36.704 19.888 1.00 0.00 ATOM 94 C GLY A 12 21.916 37.485 18.963 1.00 0.00 ATOM 95 N THR A 13 21.236 38.616 19.141 1.00 0.00 ATOM 96 CA THR A 13 20.914 39.179 20.471 1.00 0.00 ATOM 97 CB THR A 13 21.637 40.482 20.825 1.00 0.00 ATOM 98 CG2 THR A 13 21.366 40.842 22.291 1.00 0.00 ATOM 99 OG1 THR A 13 23.035 40.282 20.739 1.00 0.00 ATOM 100 O THR A 13 18.728 38.768 21.304 1.00 0.00 ATOM 101 C THR A 13 19.403 39.404 20.531 1.00 0.00 ATOM 102 N LEU A 14 18.837 40.341 19.817 1.00 0.00 ATOM 103 CA LEU A 14 17.378 40.532 19.889 1.00 0.00 ATOM 104 CB LEU A 14 17.056 42.033 19.744 1.00 0.00 ATOM 105 CG LEU A 14 17.638 42.893 20.868 1.00 0.00 ATOM 106 CD1 LEU A 14 17.218 44.339 20.650 1.00 0.00 ATOM 107 CD2 LEU A 14 17.159 42.396 22.235 1.00 0.00 ATOM 108 O LEU A 14 15.458 39.259 19.148 1.00 0.00 ATOM 109 C LEU A 14 16.566 39.731 18.876 1.00 0.00 ATOM 110 N LEU A 15 17.194 39.529 17.741 1.00 0.00 ATOM 111 CA LEU A 15 16.522 38.803 16.674 1.00 0.00 ATOM 112 CB LEU A 15 16.442 39.765 15.508 1.00 0.00 ATOM 113 CG LEU A 15 15.530 40.976 15.642 1.00 0.00 ATOM 114 CD1 LEU A 15 15.639 41.797 14.371 1.00 0.00 ATOM 115 CD2 LEU A 15 14.058 40.625 15.915 1.00 0.00 ATOM 116 O LEU A 15 18.388 37.400 15.992 1.00 0.00 ATOM 117 C LEU A 15 17.210 37.472 16.351 1.00 0.00 ATOM 118 N LYS A 16 16.430 36.412 16.536 1.00 0.00 ATOM 119 CA LYS A 16 16.868 35.058 16.158 1.00 0.00 ATOM 120 CB LYS A 16 16.364 34.029 17.169 1.00 0.00 ATOM 121 CG LYS A 16 17.219 32.761 17.157 1.00 0.00 ATOM 122 CD LYS A 16 16.432 31.490 17.438 1.00 0.00 ATOM 123 CE LYS A 16 17.358 30.307 17.206 1.00 0.00 ATOM 124 NZ LYS A 16 16.698 29.028 17.433 1.00 0.00 ATOM 125 O LYS A 16 15.192 34.558 14.506 1.00 0.00 ATOM 126 C LYS A 16 16.283 35.076 14.745 1.00 0.00 ATOM 127 N VAL A 17 17.031 35.636 13.846 1.00 0.00 ATOM 128 CA VAL A 17 16.583 35.742 12.461 1.00 0.00 ATOM 129 CB VAL A 17 17.106 37.111 11.997 1.00 0.00 ATOM 130 CG1 VAL A 17 16.488 38.233 12.779 1.00 0.00 ATOM 131 CG2 VAL A 17 18.613 37.294 12.074 1.00 0.00 ATOM 132 O VAL A 17 17.096 35.093 10.210 1.00 0.00 ATOM 133 C VAL A 17 17.093 34.771 11.400 1.00 0.00 ATOM 134 N GLU A 18 17.404 33.548 11.794 1.00 0.00 ATOM 135 CA GLU A 18 18.073 32.583 10.904 1.00 0.00 ATOM 136 CB GLU A 18 18.495 31.352 11.680 1.00 0.00 ATOM 137 CG GLU A 18 19.198 30.311 10.817 1.00 0.00 ATOM 138 CD GLU A 18 19.634 29.101 11.630 1.00 0.00 ATOM 139 OE1 GLU A 18 19.315 29.018 12.852 1.00 0.00 ATOM 140 OE2 GLU A 18 20.215 28.258 10.934 1.00 0.00 ATOM 141 O GLU A 18 17.680 32.201 8.570 1.00 0.00 ATOM 142 C GLU A 18 17.204 32.218 9.705 1.00 0.00 ATOM 143 N SER A 19 15.916 31.892 9.946 1.00 0.00 ATOM 144 CA SER A 19 15.024 31.523 8.855 1.00 0.00 ATOM 145 CB SER A 19 13.610 31.194 9.355 1.00 0.00 ATOM 146 OG SER A 19 13.658 30.083 10.266 1.00 0.00 ATOM 147 O SER A 19 14.944 32.354 6.604 1.00 0.00 ATOM 148 C SER A 19 14.935 32.628 7.803 1.00 0.00 ATOM 149 N MET A 20 14.948 33.913 8.252 1.00 0.00 ATOM 150 CA MET A 20 14.868 35.048 7.341 1.00 0.00 ATOM 151 CB MET A 20 14.943 36.229 8.300 1.00 0.00 ATOM 152 CG MET A 20 14.616 37.579 7.670 1.00 0.00 ATOM 153 SD MET A 20 15.241 39.007 8.624 1.00 0.00 ATOM 154 CE MET A 20 14.413 38.544 10.095 1.00 0.00 ATOM 155 O MET A 20 16.112 35.187 5.254 1.00 0.00 ATOM 156 C MET A 20 16.143 35.114 6.488 1.00 0.00 ATOM 157 N ASN A 21 17.261 35.064 7.183 1.00 0.00 ATOM 158 CA ASN A 21 18.579 35.259 6.565 1.00 0.00 ATOM 159 CB ASN A 21 19.664 35.336 7.632 1.00 0.00 ATOM 160 CG ASN A 21 19.491 36.579 8.497 1.00 0.00 ATOM 161 ND2 ASN A 21 20.166 36.509 9.598 1.00 0.00 ATOM 162 OD1 ASN A 21 18.764 37.541 8.242 1.00 0.00 ATOM 163 O ASN A 21 19.340 34.364 4.480 1.00 0.00 ATOM 164 C ASN A 21 18.885 34.122 5.599 1.00 0.00 ATOM 165 N ARG A 22 18.614 32.897 6.023 1.00 0.00 ATOM 166 CA ARG A 22 18.865 31.730 5.189 1.00 0.00 ATOM 167 CB ARG A 22 18.457 30.465 5.952 1.00 0.00 ATOM 168 CG ARG A 22 18.780 29.229 5.112 1.00 0.00 ATOM 169 CD ARG A 22 18.181 27.958 5.674 1.00 0.00 ATOM 170 NE ARG A 22 18.527 26.758 4.879 1.00 0.00 ATOM 171 CZ ARG A 22 19.712 26.139 4.779 1.00 0.00 ATOM 172 NH1 ARG A 22 20.803 26.568 5.373 1.00 0.00 ATOM 173 NH2 ARG A 22 19.873 25.040 4.092 1.00 0.00 ATOM 174 O ARG A 22 18.517 31.492 2.828 1.00 0.00 ATOM 175 C ARG A 22 18.011 31.748 3.920 1.00 0.00 ATOM 176 N ARG A 23 16.714 32.063 4.051 1.00 0.00 ATOM 177 CA ARG A 23 15.845 32.103 2.880 1.00 0.00 ATOM 178 CB ARG A 23 14.411 32.327 3.339 1.00 0.00 ATOM 179 CG ARG A 23 13.897 31.085 4.053 1.00 0.00 ATOM 180 CD ARG A 23 12.530 31.431 4.611 1.00 0.00 ATOM 181 NE ARG A 23 11.939 30.236 5.213 1.00 0.00 ATOM 182 CZ ARG A 23 10.684 30.204 5.676 1.00 0.00 ATOM 183 NH1 ARG A 23 10.198 29.108 6.210 1.00 0.00 ATOM 184 NH2 ARG A 23 9.881 31.259 5.653 1.00 0.00 ATOM 185 O ARG A 23 16.227 32.919 0.647 1.00 0.00 ATOM 186 C ARG A 23 16.273 33.149 1.862 1.00 0.00 ATOM 187 N VAL A 24 16.669 34.307 2.363 1.00 0.00 ATOM 188 CA VAL A 24 17.098 35.402 1.507 1.00 0.00 ATOM 189 CB VAL A 24 17.243 36.629 2.388 1.00 0.00 ATOM 190 CG1 VAL A 24 17.825 37.836 1.653 1.00 0.00 ATOM 191 CG2 VAL A 24 15.813 36.930 2.761 1.00 0.00 ATOM 192 O VAL A 24 18.537 35.375 -0.413 1.00 0.00 ATOM 193 C VAL A 24 18.375 35.022 0.755 1.00 0.00 ATOM 194 N LEU A 25 19.263 34.307 1.426 1.00 0.00 ATOM 195 CA LEU A 25 20.494 33.890 0.762 1.00 0.00 ATOM 196 CB LEU A 25 21.445 33.232 1.760 1.00 0.00 ATOM 197 CG LEU A 25 21.978 34.235 2.794 1.00 0.00 ATOM 198 CD1 LEU A 25 22.801 33.491 3.809 1.00 0.00 ATOM 199 CD2 LEU A 25 22.962 35.242 2.217 1.00 0.00 ATOM 200 O LEU A 25 20.806 32.986 -1.442 1.00 0.00 ATOM 201 C LEU A 25 20.188 32.920 -0.378 1.00 0.00 ATOM 202 N ALA A 26 19.214 32.025 -0.166 1.00 0.00 ATOM 203 CA ALA A 26 18.831 31.070 -1.198 1.00 0.00 ATOM 204 CB ALA A 26 17.834 30.059 -0.626 1.00 0.00 ATOM 205 O ALA A 26 18.531 31.521 -3.531 1.00 0.00 ATOM 206 C ALA A 26 18.249 31.834 -2.381 1.00 0.00 ATOM 207 N ASP A 27 17.388 32.805 -2.087 1.00 0.00 ATOM 208 CA ASP A 27 16.737 33.563 -3.147 1.00 0.00 ATOM 209 CB ASP A 27 15.709 34.452 -2.469 1.00 0.00 ATOM 210 CG ASP A 27 14.525 33.737 -1.835 1.00 0.00 ATOM 211 OD1 ASP A 27 14.324 32.532 -2.094 1.00 0.00 ATOM 212 OD2 ASP A 27 13.812 34.435 -1.098 1.00 0.00 ATOM 213 O ASP A 27 17.715 34.379 -5.174 1.00 0.00 ATOM 214 C ASP A 27 17.786 34.341 -3.941 1.00 0.00 ATOM 215 N ALA A 28 18.736 34.946 -3.256 1.00 0.00 ATOM 216 CA ALA A 28 19.780 35.745 -3.941 1.00 0.00 ATOM 217 CB ALA A 28 20.713 36.404 -2.930 1.00 0.00 ATOM 218 O ALA A 28 20.954 35.225 -5.966 1.00 0.00 ATOM 219 C ALA A 28 20.659 34.864 -4.827 1.00 0.00 ATOM 220 N LEU A 29 21.067 33.713 -4.318 1.00 0.00 ATOM 221 CA LEU A 29 21.907 32.811 -5.101 1.00 0.00 ATOM 222 CB LEU A 29 22.517 31.737 -4.202 1.00 0.00 ATOM 223 CG LEU A 29 23.410 32.474 -3.198 1.00 0.00 ATOM 224 CD1 LEU A 29 23.894 31.582 -2.083 1.00 0.00 ATOM 225 CD2 LEU A 29 24.616 33.092 -3.905 1.00 0.00 ATOM 226 O LEU A 29 21.708 32.130 -7.397 1.00 0.00 ATOM 227 C LEU A 29 21.146 32.232 -6.300 1.00 0.00 ATOM 228 N ILE A 30 19.899 31.843 -6.079 1.00 0.00 ATOM 229 CA ILE A 30 19.113 31.260 -7.167 1.00 0.00 ATOM 230 CB ILE A 30 17.743 30.768 -6.669 1.00 0.00 ATOM 231 CG1 ILE A 30 17.950 29.587 -5.724 1.00 0.00 ATOM 232 CG2 ILE A 30 16.849 30.300 -7.836 1.00 0.00 ATOM 233 CD1 ILE A 30 16.700 29.255 -4.918 1.00 0.00 ATOM 234 O ILE A 30 19.329 32.068 -9.416 1.00 0.00 ATOM 235 C ILE A 30 18.963 32.313 -8.263 1.00 0.00 ATOM 236 N GLU A 31 18.430 33.502 -7.932 1.00 0.00 ATOM 237 CA GLU A 31 18.233 34.560 -8.917 1.00 0.00 ATOM 238 CB GLU A 31 17.634 35.789 -8.224 1.00 0.00 ATOM 239 CG GLU A 31 17.164 36.872 -9.201 1.00 0.00 ATOM 240 CD GLU A 31 16.068 36.421 -10.173 1.00 0.00 ATOM 241 OE1 GLU A 31 15.447 35.365 -9.923 1.00 0.00 ATOM 242 OE2 GLU A 31 15.796 37.190 -11.126 1.00 0.00 ATOM 243 O GLU A 31 19.510 35.262 -10.805 1.00 0.00 ATOM 244 C GLU A 31 19.524 34.964 -9.614 1.00 0.00 ATOM 245 N VAL A 32 20.661 34.954 -8.868 1.00 0.00 ATOM 246 CA VAL A 32 21.927 35.370 -9.480 1.00 0.00 ATOM 247 CB VAL A 32 22.917 35.880 -8.424 1.00 0.00 ATOM 248 CG1 VAL A 32 22.354 37.102 -7.685 1.00 0.00 ATOM 249 CG2 VAL A 32 23.458 34.813 -7.474 1.00 0.00 ATOM 250 O VAL A 32 23.625 34.494 -10.921 1.00 0.00 ATOM 251 C VAL A 32 22.568 34.269 -10.338 1.00 0.00 ATOM 252 N TYR A 33 22.027 33.056 -10.218 1.00 0.00 ATOM 253 CA TYR A 33 22.469 31.828 -10.921 1.00 0.00 ATOM 254 CB TYR A 33 22.641 32.086 -12.426 1.00 0.00 ATOM 255 CG TYR A 33 21.377 32.639 -13.080 1.00 0.00 ATOM 256 CD1 TYR A 33 21.244 33.989 -13.353 1.00 0.00 ATOM 257 CD2 TYR A 33 20.361 31.768 -13.395 1.00 0.00 ATOM 258 CE1 TYR A 33 20.086 34.475 -13.947 1.00 0.00 ATOM 259 CE2 TYR A 33 19.209 32.262 -13.986 1.00 0.00 ATOM 260 CZ TYR A 33 19.062 33.603 -14.253 1.00 0.00 ATOM 261 OH TYR A 33 17.927 34.023 -14.867 1.00 0.00 ATOM 262 O TYR A 33 24.637 30.759 -11.073 1.00 0.00 ATOM 263 C TYR A 33 23.789 31.270 -10.353 1.00 0.00 ATOM 264 N GLY A 34 23.893 31.425 -9.033 1.00 0.00 ATOM 265 CA GLY A 34 25.065 31.109 -8.220 1.00 0.00 ATOM 266 O GLY A 34 23.621 29.842 -6.760 1.00 0.00 ATOM 267 C GLY A 34 24.710 29.942 -7.328 1.00 0.00 ATOM 268 N THR A 35 25.738 29.027 -7.101 1.00 0.00 ATOM 269 CA THR A 35 25.680 27.984 -6.082 1.00 0.00 ATOM 270 CB THR A 35 26.881 27.027 -6.108 1.00 0.00 ATOM 271 CG2 THR A 35 26.736 25.904 -5.071 1.00 0.00 ATOM 272 OG1 THR A 35 27.019 26.493 -7.423 1.00 0.00 ATOM 273 O THR A 35 26.469 29.484 -4.444 1.00 0.00 ATOM 274 C THR A 35 25.673 28.589 -4.711 1.00 0.00 ATOM 275 N GLU A 36 24.878 28.075 -3.749 1.00 0.00 ATOM 276 CA GLU A 36 24.888 28.626 -2.418 1.00 0.00 ATOM 277 CB GLU A 36 23.606 28.311 -1.675 1.00 0.00 ATOM 278 CG GLU A 36 23.289 26.834 -1.514 1.00 0.00 ATOM 279 CD GLU A 36 22.678 26.178 -2.751 1.00 0.00 ATOM 280 OE1 GLU A 36 22.379 26.815 -3.781 1.00 0.00 ATOM 281 OE2 GLU A 36 22.456 24.975 -2.591 1.00 0.00 ATOM 282 O GLU A 36 26.490 27.065 -1.599 1.00 0.00 ATOM 283 C GLU A 36 26.068 28.223 -1.558 1.00 0.00 ATOM 284 N GLY A 37 26.471 29.156 -0.694 1.00 0.00 ATOM 285 CA GLY A 37 27.430 28.866 0.388 1.00 0.00 ATOM 286 O GLY A 37 25.568 27.868 1.406 1.00 0.00 ATOM 287 C GLY A 37 26.781 27.934 1.413 1.00 0.00 ATOM 288 N SER A 38 27.538 27.117 2.142 1.00 0.00 ATOM 289 CA SER A 38 26.953 26.113 3.057 1.00 0.00 ATOM 290 CB SER A 38 28.067 25.289 3.716 1.00 0.00 ATOM 291 OG SER A 38 28.690 24.455 2.734 1.00 0.00 ATOM 292 O SER A 38 26.326 27.947 4.478 1.00 0.00 ATOM 293 C SER A 38 26.163 26.756 4.172 1.00 0.00 ATOM 294 N THR A 39 25.268 25.932 4.919 1.00 0.00 ATOM 295 CA THR A 39 24.495 26.401 6.028 1.00 0.00 ATOM 296 CB THR A 39 23.782 25.267 6.782 1.00 0.00 ATOM 297 CG2 THR A 39 22.987 25.754 7.999 1.00 0.00 ATOM 298 OG1 THR A 39 22.863 24.551 5.958 1.00 0.00 ATOM 299 O THR A 39 24.934 28.189 7.569 1.00 0.00 ATOM 300 C THR A 39 25.345 27.142 7.056 1.00 0.00 ATOM 301 N GLY A 40 26.573 26.648 7.337 1.00 0.00 ATOM 302 CA GLY A 40 27.454 27.320 8.284 1.00 0.00 ATOM 303 O GLY A 40 27.813 29.680 8.567 1.00 0.00 ATOM 304 C GLY A 40 27.838 28.716 7.790 1.00 0.00 ATOM 305 N SER A 41 28.143 28.781 6.542 1.00 0.00 ATOM 306 CA SER A 41 28.530 30.049 5.907 1.00 0.00 ATOM 307 CB SER A 41 28.867 29.699 4.490 1.00 0.00 ATOM 308 OG SER A 41 30.102 28.997 4.398 1.00 0.00 ATOM 309 O SER A 41 27.613 32.219 6.318 1.00 0.00 ATOM 310 C SER A 41 27.411 31.086 5.887 1.00 0.00 ATOM 311 N HIS A 42 26.226 30.611 5.505 1.00 0.00 ATOM 312 CA HIS A 42 25.002 31.426 5.509 1.00 0.00 ATOM 313 CB HIS A 42 23.860 30.578 4.950 1.00 0.00 ATOM 314 CG HIS A 42 23.883 30.335 3.429 1.00 0.00 ATOM 315 CD2 HIS A 42 24.677 30.864 2.491 1.00 0.00 ATOM 316 ND1 HIS A 42 22.986 29.570 2.812 1.00 0.00 ATOM 317 CE1 HIS A 42 23.203 29.646 1.502 1.00 0.00 ATOM 318 NE2 HIS A 42 24.249 30.442 1.301 1.00 0.00 ATOM 319 O HIS A 42 24.381 33.094 7.152 1.00 0.00 ATOM 320 C HIS A 42 24.644 31.920 6.920 1.00 0.00 ATOM 321 N ASP A 43 24.863 31.060 7.899 1.00 0.00 ATOM 322 CA ASP A 43 24.531 31.429 9.281 1.00 0.00 ATOM 323 CB ASP A 43 24.607 30.234 10.197 1.00 0.00 ATOM 324 CG ASP A 43 23.559 29.156 9.974 1.00 0.00 ATOM 325 OD1 ASP A 43 22.545 29.466 9.306 1.00 0.00 ATOM 326 OD2 ASP A 43 23.860 28.029 10.411 1.00 0.00 ATOM 327 O ASP A 43 25.029 33.528 10.325 1.00 0.00 ATOM 328 C ASP A 43 25.474 32.529 9.762 1.00 0.00 ATOM 329 N PHE A 44 26.781 32.347 9.556 1.00 0.00 ATOM 330 CA PHE A 44 27.787 33.334 9.934 1.00 0.00 ATOM 331 CB PHE A 44 29.132 32.793 9.523 1.00 0.00 ATOM 332 CG PHE A 44 30.348 33.514 10.095 1.00 0.00 ATOM 333 CD1 PHE A 44 30.974 32.841 11.130 1.00 0.00 ATOM 334 CD2 PHE A 44 30.921 34.673 9.573 1.00 0.00 ATOM 335 CE1 PHE A 44 32.177 33.294 11.625 1.00 0.00 ATOM 336 CE2 PHE A 44 32.127 35.128 10.083 1.00 0.00 ATOM 337 CZ PHE A 44 32.748 34.448 11.112 1.00 0.00 ATOM 338 O PHE A 44 27.613 35.719 9.849 1.00 0.00 ATOM 339 C PHE A 44 27.538 34.660 9.229 1.00 0.00 ATOM 340 N SER A 45 27.215 34.605 7.912 1.00 0.00 ATOM 341 CA SER A 45 26.975 35.813 7.133 1.00 0.00 ATOM 342 CB SER A 45 26.776 35.494 5.654 1.00 0.00 ATOM 343 OG SER A 45 25.716 34.571 5.466 1.00 0.00 ATOM 344 O SER A 45 25.856 37.845 7.606 1.00 0.00 ATOM 345 C SER A 45 25.762 36.621 7.581 1.00 0.00 ATOM 346 N GLY A 46 24.682 35.969 7.979 1.00 0.00 ATOM 347 CA GLY A 46 23.435 36.641 8.407 1.00 0.00 ATOM 348 O GLY A 46 22.880 38.420 9.892 1.00 0.00 ATOM 349 C GLY A 46 23.650 37.496 9.640 1.00 0.00 ATOM 350 N LYS A 47 24.690 37.185 10.439 1.00 0.00 ATOM 351 CA LYS A 47 25.050 37.955 11.626 1.00 0.00 ATOM 352 CB LYS A 47 25.996 37.045 12.444 1.00 0.00 ATOM 353 CG LYS A 47 25.640 35.562 12.380 1.00 0.00 ATOM 354 CD LYS A 47 26.804 34.726 12.926 1.00 0.00 ATOM 355 CE LYS A 47 26.428 33.246 12.872 1.00 0.00 ATOM 356 NZ LYS A 47 27.317 32.388 13.640 1.00 0.00 ATOM 357 O LYS A 47 26.394 39.875 12.216 1.00 0.00 ATOM 358 C LYS A 47 25.851 39.238 11.330 1.00 0.00 ATOM 359 N MET A 48 26.188 39.370 10.055 1.00 0.00 ATOM 360 CA MET A 48 27.142 40.345 9.559 1.00 0.00 ATOM 361 CB MET A 48 28.091 39.365 8.843 1.00 0.00 ATOM 362 CG MET A 48 29.220 38.720 9.680 1.00 0.00 ATOM 363 SD MET A 48 30.477 37.766 8.717 1.00 0.00 ATOM 364 CE MET A 48 32.148 38.382 8.911 1.00 0.00 ATOM 365 O MET A 48 25.213 41.221 8.421 1.00 0.00 ATOM 366 C MET A 48 26.371 41.417 8.796 1.00 0.00 ATOM 367 N ASP A 49 27.098 42.655 8.525 1.00 0.00 ATOM 368 CA ASP A 49 26.516 43.779 7.790 1.00 0.00 ATOM 369 CB ASP A 49 27.679 44.732 7.565 1.00 0.00 ATOM 370 CG ASP A 49 27.639 45.921 8.466 1.00 0.00 ATOM 371 OD1 ASP A 49 27.897 45.657 9.642 1.00 0.00 ATOM 372 OD2 ASP A 49 27.390 46.986 7.854 1.00 0.00 ATOM 373 O ASP A 49 26.822 42.344 5.917 1.00 0.00 ATOM 374 C ASP A 49 26.247 43.329 6.357 1.00 0.00 ATOM 375 N GLY A 50 25.738 44.241 5.547 1.00 0.00 ATOM 376 CA GLY A 50 25.646 44.074 4.086 1.00 0.00 ATOM 377 O GLY A 50 27.106 42.738 2.742 1.00 0.00 ATOM 378 C GLY A 50 26.999 43.739 3.457 1.00 0.00 ATOM 379 N ALA A 51 28.011 44.493 3.861 1.00 0.00 ATOM 380 CA ALA A 51 29.395 44.253 3.412 1.00 0.00 ATOM 381 CB ALA A 51 30.354 45.276 3.971 1.00 0.00 ATOM 382 O ALA A 51 30.657 42.205 3.396 1.00 0.00 ATOM 383 C ALA A 51 29.888 42.942 4.017 1.00 0.00 ATOM 384 N ILE A 52 29.424 42.712 5.192 1.00 0.00 ATOM 385 CA ILE A 52 29.838 41.492 5.867 1.00 0.00 ATOM 386 CB ILE A 52 29.641 41.747 7.356 1.00 0.00 ATOM 387 CG1 ILE A 52 30.287 42.902 8.146 1.00 0.00 ATOM 388 CG2 ILE A 52 30.755 40.821 7.631 1.00 0.00 ATOM 389 CD1 ILE A 52 29.917 42.912 9.640 1.00 0.00 ATOM 390 O ILE A 52 29.962 39.224 4.988 1.00 0.00 ATOM 391 C ILE A 52 29.253 40.192 5.238 1.00 0.00 ATOM 392 N ILE A 53 27.979 40.215 4.871 1.00 0.00 ATOM 393 CA ILE A 53 27.315 39.095 4.167 1.00 0.00 ATOM 394 CB ILE A 53 25.837 39.372 3.946 1.00 0.00 ATOM 395 CG1 ILE A 53 25.144 39.481 5.310 1.00 0.00 ATOM 396 CG2 ILE A 53 25.211 38.258 3.115 1.00 0.00 ATOM 397 CD1 ILE A 53 23.696 39.892 5.242 1.00 0.00 ATOM 398 O ILE A 53 28.279 37.693 2.457 1.00 0.00 ATOM 399 C ILE A 53 27.995 38.829 2.823 1.00 0.00 ATOM 400 N TYR A 54 28.228 39.931 2.034 1.00 0.00 ATOM 401 CA TYR A 54 28.938 39.861 0.778 1.00 0.00 ATOM 402 CB TYR A 54 29.233 41.276 0.273 1.00 0.00 ATOM 403 CG TYR A 54 29.546 41.288 -1.229 1.00 0.00 ATOM 404 CD1 TYR A 54 28.516 41.715 -2.030 1.00 0.00 ATOM 405 CD2 TYR A 54 30.808 41.050 -1.788 1.00 0.00 ATOM 406 CE1 TYR A 54 28.730 41.933 -3.379 1.00 0.00 ATOM 407 CE2 TYR A 54 31.032 41.289 -3.136 1.00 0.00 ATOM 408 CZ TYR A 54 29.984 41.725 -3.936 1.00 0.00 ATOM 409 OH TYR A 54 30.073 41.605 -5.277 1.00 0.00 ATOM 410 O TYR A 54 30.796 38.613 -0.008 1.00 0.00 ATOM 411 C TYR A 54 30.320 39.301 0.934 1.00 0.00 ATOM 412 N GLU A 55 31.023 39.542 2.027 1.00 0.00 ATOM 413 CA GLU A 55 32.339 38.953 2.275 1.00 0.00 ATOM 414 CB GLU A 55 32.833 39.583 3.573 1.00 0.00 ATOM 415 CG GLU A 55 33.334 41.033 3.481 1.00 0.00 ATOM 416 CD GLU A 55 33.772 41.648 4.832 1.00 0.00 ATOM 417 OE1 GLU A 55 33.596 41.035 5.908 1.00 0.00 ATOM 418 OE2 GLU A 55 34.225 42.817 4.800 1.00 0.00 ATOM 419 O GLU A 55 33.288 36.746 1.944 1.00 0.00 ATOM 420 C GLU A 55 32.349 37.421 2.392 1.00 0.00 ATOM 421 N VAL A 56 31.234 36.859 2.838 1.00 0.00 ATOM 422 CA VAL A 56 31.055 35.396 2.958 1.00 0.00 ATOM 423 CB VAL A 56 29.816 35.038 3.775 1.00 0.00 ATOM 424 CG1 VAL A 56 29.542 33.541 3.910 1.00 0.00 ATOM 425 CG2 VAL A 56 30.040 35.615 5.166 1.00 0.00 ATOM 426 O VAL A 56 31.425 33.581 1.402 1.00 0.00 ATOM 427 C VAL A 56 30.952 34.712 1.598 1.00 0.00 ATOM 428 N LEU A 57 30.342 35.421 0.653 1.00 0.00 ATOM 429 CA LEU A 57 30.157 34.849 -0.696 1.00 0.00 ATOM 430 CB LEU A 57 29.511 35.929 -1.552 1.00 0.00 ATOM 431 CG LEU A 57 28.110 36.481 -1.404 1.00 0.00 ATOM 432 CD1 LEU A 57 27.934 37.531 -2.504 1.00 0.00 ATOM 433 CD2 LEU A 57 27.069 35.394 -1.620 1.00 0.00 ATOM 434 O LEU A 57 31.541 33.157 -1.698 1.00 0.00 ATOM 435 C LEU A 57 31.476 34.293 -1.240 1.00 0.00 ATOM 436 N SER A 58 32.569 35.090 -1.178 1.00 0.00 ATOM 437 CA SER A 58 33.880 34.657 -1.650 1.00 0.00 ATOM 438 CB SER A 58 34.902 35.739 -1.473 1.00 0.00 ATOM 439 OG SER A 58 34.503 36.607 -2.498 1.00 0.00 ATOM 440 O SER A 58 34.895 32.496 -1.406 1.00 0.00 ATOM 441 C SER A 58 34.413 33.483 -0.863 1.00 0.00 ATOM 442 N ASN A 59 34.164 33.550 0.429 1.00 0.00 ATOM 443 CA ASN A 59 34.565 32.472 1.340 1.00 0.00 ATOM 444 CB ASN A 59 34.296 32.948 2.744 1.00 0.00 ATOM 445 CG ASN A 59 35.282 34.014 3.168 1.00 0.00 ATOM 446 ND2 ASN A 59 34.865 34.709 4.174 1.00 0.00 ATOM 447 OD1 ASN A 59 36.392 34.188 2.681 1.00 0.00 ATOM 448 O ASN A 59 34.351 30.071 1.380 1.00 0.00 ATOM 449 C ASN A 59 33.840 31.142 1.098 1.00 0.00 ATOM 450 N VAL A 60 32.606 31.267 0.654 1.00 0.00 ATOM 451 CA VAL A 60 31.751 30.100 0.342 1.00 0.00 ATOM 452 CB VAL A 60 30.272 30.409 0.533 1.00 0.00 ATOM 453 CG1 VAL A 60 30.055 30.906 1.918 1.00 0.00 ATOM 454 CG2 VAL A 60 29.761 31.628 -0.185 1.00 0.00 ATOM 455 O VAL A 60 31.264 28.696 -1.554 1.00 0.00 ATOM 456 C VAL A 60 31.975 29.581 -1.078 1.00 0.00 ATOM 457 N GLY A 61 32.914 30.237 -1.757 1.00 0.00 ATOM 458 CA GLY A 61 33.331 29.852 -3.101 1.00 0.00 ATOM 459 O GLY A 61 32.359 29.645 -5.233 1.00 0.00 ATOM 460 C GLY A 61 32.334 30.207 -4.165 1.00 0.00 ATOM 461 N LEU A 62 31.417 31.169 -3.895 1.00 0.00 ATOM 462 CA LEU A 62 30.476 31.542 -4.946 1.00 0.00 ATOM 463 CB LEU A 62 29.467 32.589 -4.405 1.00 0.00 ATOM 464 CG LEU A 62 28.510 33.173 -5.439 1.00 0.00 ATOM 465 CD1 LEU A 62 27.605 32.034 -5.970 1.00 0.00 ATOM 466 CD2 LEU A 62 27.669 34.240 -4.772 1.00 0.00 ATOM 467 O LEU A 62 32.070 33.135 -5.751 1.00 0.00 ATOM 468 C LEU A 62 31.239 32.268 -6.026 1.00 0.00 ATOM 469 N GLU A 63 30.925 31.886 -7.256 1.00 0.00 ATOM 470 CA GLU A 63 31.625 32.475 -8.417 1.00 0.00 ATOM 471 CB GLU A 63 31.183 31.815 -9.712 1.00 0.00 ATOM 472 CG GLU A 63 32.094 32.258 -10.863 1.00 0.00 ATOM 473 CD GLU A 63 31.732 31.640 -12.215 1.00 0.00 ATOM 474 OE1 GLU A 63 31.145 30.548 -12.232 1.00 0.00 ATOM 475 OE2 GLU A 63 32.112 32.268 -13.219 1.00 0.00 ATOM 476 O GLU A 63 32.229 34.810 -8.671 1.00 0.00 ATOM 477 C GLU A 63 31.339 33.980 -8.514 1.00 0.00 ATOM 478 N ARG A 64 30.076 34.319 -8.312 1.00 0.00 ATOM 479 CA ARG A 64 29.626 35.728 -8.380 1.00 0.00 ATOM 480 CB ARG A 64 28.104 35.768 -8.170 1.00 0.00 ATOM 481 CG ARG A 64 27.277 34.972 -9.157 1.00 0.00 ATOM 482 CD ARG A 64 27.381 35.504 -10.576 1.00 0.00 ATOM 483 NE ARG A 64 26.540 34.710 -11.475 1.00 0.00 ATOM 484 CZ ARG A 64 26.624 33.406 -11.676 1.00 0.00 ATOM 485 NH1 ARG A 64 27.526 32.661 -11.049 1.00 0.00 ATOM 486 NH2 ARG A 64 25.789 32.816 -12.521 1.00 0.00 ATOM 487 O ARG A 64 30.748 37.715 -7.659 1.00 0.00 ATOM 488 C ARG A 64 30.348 36.596 -7.357 1.00 0.00 ATOM 489 N ALA A 65 30.559 36.042 -6.171 1.00 0.00 ATOM 490 CA ALA A 65 31.278 36.757 -5.125 1.00 0.00 ATOM 491 CB ALA A 65 31.362 35.813 -3.994 1.00 0.00 ATOM 492 O ALA A 65 33.349 37.969 -4.892 1.00 0.00 ATOM 493 C ALA A 65 32.758 37.032 -5.454 1.00 0.00 ATOM 494 N GLU A 66 33.311 36.205 -6.309 1.00 0.00 ATOM 495 CA GLU A 66 34.699 36.426 -6.735 1.00 0.00 ATOM 496 CB GLU A 66 35.308 34.968 -6.911 1.00 0.00 ATOM 497 CG GLU A 66 35.440 34.218 -5.592 1.00 0.00 ATOM 498 CD GLU A 66 35.762 32.750 -5.753 1.00 0.00 ATOM 499 OE1 GLU A 66 36.119 32.118 -4.736 1.00 0.00 ATOM 500 OE2 GLU A 66 35.646 32.222 -6.880 1.00 0.00 ATOM 501 O GLU A 66 35.862 38.045 -8.048 1.00 0.00 ATOM 502 C GLU A 66 34.772 37.589 -7.710 1.00 0.00 ATOM 503 N ILE A 67 33.617 38.066 -8.172 1.00 0.00 ATOM 504 CA ILE A 67 33.596 39.175 -9.119 1.00 0.00 ATOM 505 CB ILE A 67 33.491 40.527 -8.682 1.00 0.00 ATOM 506 CG1 ILE A 67 34.466 40.970 -7.592 1.00 0.00 ATOM 507 CG2 ILE A 67 32.082 40.677 -8.173 1.00 0.00 ATOM 508 CD1 ILE A 67 34.487 42.458 -7.412 1.00 0.00 ATOM 509 O ILE A 67 35.296 39.351 -10.850 1.00 0.00 ATOM 510 C ILE A 67 34.089 39.160 -10.560 1.00 0.00 ATOM 511 N ALA A 68 33.093 38.929 -11.524 1.00 0.00 ATOM 512 CA ALA A 68 33.387 39.077 -12.955 1.00 0.00 ATOM 513 CB ALA A 68 32.569 38.108 -13.763 1.00 0.00 ATOM 514 O ALA A 68 32.214 41.017 -12.419 1.00 0.00 ATOM 515 C ALA A 68 33.200 40.561 -12.979 1.00 0.00 ATOM 516 N ASP A 69 34.116 41.299 -13.458 1.00 0.00 ATOM 517 CA ASP A 69 34.210 42.741 -13.177 1.00 0.00 ATOM 518 CB ASP A 69 35.297 43.399 -13.924 1.00 0.00 ATOM 519 CG ASP A 69 36.611 43.030 -13.259 1.00 0.00 ATOM 520 OD1 ASP A 69 36.573 42.457 -12.146 1.00 0.00 ATOM 521 OD2 ASP A 69 37.613 43.328 -13.914 1.00 0.00 ATOM 522 O ASP A 69 32.402 44.310 -13.098 1.00 0.00 ATOM 523 C ASP A 69 32.961 43.409 -13.727 1.00 0.00 ATOM 524 N LYS A 70 32.528 42.973 -14.864 1.00 0.00 ATOM 525 CA LYS A 70 31.343 43.563 -15.464 1.00 0.00 ATOM 526 CB LYS A 70 31.198 42.985 -16.858 1.00 0.00 ATOM 527 CG LYS A 70 32.275 43.549 -17.770 1.00 0.00 ATOM 528 CD LYS A 70 32.000 43.004 -19.163 1.00 0.00 ATOM 529 CE LYS A 70 32.995 43.638 -20.095 1.00 0.00 ATOM 530 NZ LYS A 70 32.922 43.107 -21.442 1.00 0.00 ATOM 531 O LYS A 70 29.087 44.018 -14.801 1.00 0.00 ATOM 532 C LYS A 70 30.062 43.298 -14.665 1.00 0.00 ATOM 533 N PHE A 71 30.050 42.261 -13.864 1.00 0.00 ATOM 534 CA PHE A 71 28.836 41.895 -13.129 1.00 0.00 ATOM 535 CB PHE A 71 28.727 40.389 -13.072 1.00 0.00 ATOM 536 CG PHE A 71 28.565 39.693 -14.405 1.00 0.00 ATOM 537 CD1 PHE A 71 29.677 39.131 -14.993 1.00 0.00 ATOM 538 CD2 PHE A 71 27.335 39.644 -15.029 1.00 0.00 ATOM 539 CE1 PHE A 71 29.594 38.529 -16.231 1.00 0.00 ATOM 540 CE2 PHE A 71 27.246 39.035 -16.272 1.00 0.00 ATOM 541 CZ PHE A 71 28.376 38.489 -16.883 1.00 0.00 ATOM 542 O PHE A 71 27.709 42.230 -11.055 1.00 0.00 ATOM 543 C PHE A 71 28.747 42.419 -11.698 1.00 0.00 ATOM 544 N ASP A 72 29.787 43.051 -11.146 1.00 0.00 ATOM 545 CA ASP A 72 29.788 43.473 -9.736 1.00 0.00 ATOM 546 CB ASP A 72 31.162 44.056 -9.404 1.00 0.00 ATOM 547 CG ASP A 72 31.267 44.459 -7.937 1.00 0.00 ATOM 548 OD1 ASP A 72 31.233 43.512 -7.120 1.00 0.00 ATOM 549 OD2 ASP A 72 31.474 45.663 -7.731 1.00 0.00 ATOM 550 O ASP A 72 28.088 44.331 -8.300 1.00 0.00 ATOM 551 C ASP A 72 28.689 44.457 -9.372 1.00 0.00 ATOM 552 N LYS A 73 28.432 45.451 -10.235 1.00 0.00 ATOM 553 CA LYS A 73 27.423 46.463 -9.953 1.00 0.00 ATOM 554 CB LYS A 73 27.470 47.492 -11.089 1.00 0.00 ATOM 555 CG LYS A 73 26.401 48.569 -10.906 1.00 0.00 ATOM 556 CD LYS A 73 26.417 49.559 -12.057 1.00 0.00 ATOM 557 CE LYS A 73 25.425 50.677 -11.751 1.00 0.00 ATOM 558 NZ LYS A 73 25.615 51.776 -12.706 1.00 0.00 ATOM 559 O LYS A 73 25.268 46.025 -8.921 1.00 0.00 ATOM 560 C LYS A 73 26.034 45.810 -9.856 1.00 0.00 ATOM 561 N ALA A 74 25.760 44.962 -10.832 1.00 0.00 ATOM 562 CA ALA A 74 24.491 44.226 -10.899 1.00 0.00 ATOM 563 CB ALA A 74 24.401 43.501 -12.249 1.00 0.00 ATOM 564 O ALA A 74 23.235 43.250 -9.098 1.00 0.00 ATOM 565 C ALA A 74 24.320 43.325 -9.679 1.00 0.00 ATOM 566 N LYS A 75 25.417 42.651 -9.246 1.00 0.00 ATOM 567 CA LYS A 75 25.413 41.766 -8.085 1.00 0.00 ATOM 568 CB LYS A 75 26.739 41.092 -7.896 1.00 0.00 ATOM 569 CG LYS A 75 27.052 40.109 -8.999 1.00 0.00 ATOM 570 CD LYS A 75 28.394 39.450 -8.741 1.00 0.00 ATOM 571 CE LYS A 75 28.969 38.908 -10.042 1.00 0.00 ATOM 572 NZ LYS A 75 30.424 38.664 -9.883 1.00 0.00 ATOM 573 O LYS A 75 24.277 42.092 -6.016 1.00 0.00 ATOM 574 C LYS A 75 25.102 42.538 -6.818 1.00 0.00 ATOM 575 N GLU A 76 25.758 43.669 -6.650 1.00 0.00 ATOM 576 CA GLU A 76 25.524 44.501 -5.472 1.00 0.00 ATOM 577 CB GLU A 76 26.420 45.710 -5.489 1.00 0.00 ATOM 578 CG GLU A 76 27.889 45.333 -5.295 1.00 0.00 ATOM 579 CD GLU A 76 28.744 46.585 -5.455 1.00 0.00 ATOM 580 OE1 GLU A 76 28.207 47.637 -5.862 1.00 0.00 ATOM 581 OE2 GLU A 76 29.932 46.454 -5.135 1.00 0.00 ATOM 582 O GLU A 76 23.455 44.986 -4.371 1.00 0.00 ATOM 583 C GLU A 76 24.080 44.989 -5.428 1.00 0.00 ATOM 584 N THR A 77 23.525 45.392 -6.588 1.00 0.00 ATOM 585 CA THR A 77 22.141 45.852 -6.687 1.00 0.00 ATOM 586 CB THR A 77 21.838 46.288 -8.126 1.00 0.00 ATOM 587 CG2 THR A 77 20.401 46.782 -8.333 1.00 0.00 ATOM 588 OG1 THR A 77 22.736 47.352 -8.401 1.00 0.00 ATOM 589 O THR A 77 20.290 44.925 -5.443 1.00 0.00 ATOM 590 C THR A 77 21.193 44.722 -6.256 1.00 0.00 ATOM 591 N TYR A 78 21.429 43.530 -6.790 1.00 0.00 ATOM 592 CA TYR A 78 20.612 42.358 -6.489 1.00 0.00 ATOM 593 CB TYR A 78 20.928 41.189 -7.424 1.00 0.00 ATOM 594 CG TYR A 78 20.629 41.481 -8.905 1.00 0.00 ATOM 595 CD1 TYR A 78 21.441 40.893 -9.866 1.00 0.00 ATOM 596 CD2 TYR A 78 19.582 42.305 -9.307 1.00 0.00 ATOM 597 CE1 TYR A 78 21.215 41.117 -11.213 1.00 0.00 ATOM 598 CE2 TYR A 78 19.357 42.533 -10.664 1.00 0.00 ATOM 599 CZ TYR A 78 20.169 41.941 -11.616 1.00 0.00 ATOM 600 OH TYR A 78 19.962 42.198 -12.931 1.00 0.00 ATOM 601 O TYR A 78 19.825 41.621 -4.345 1.00 0.00 ATOM 602 C TYR A 78 20.798 41.948 -5.029 1.00 0.00 ATOM 603 N ILE A 79 22.050 41.944 -4.544 1.00 0.00 ATOM 604 CA ILE A 79 22.340 41.626 -3.147 1.00 0.00 ATOM 605 CB ILE A 79 23.862 41.599 -2.875 1.00 0.00 ATOM 606 CG1 ILE A 79 24.591 40.523 -3.696 1.00 0.00 ATOM 607 CG2 ILE A 79 24.171 41.308 -1.406 1.00 0.00 ATOM 608 CD1 ILE A 79 24.073 39.089 -3.519 1.00 0.00 ATOM 609 O ILE A 79 21.046 42.180 -1.199 1.00 0.00 ATOM 610 C ILE A 79 21.616 42.593 -2.213 1.00 0.00 ATOM 611 N ALA A 80 21.623 43.869 -2.589 1.00 0.00 ATOM 612 CA ALA A 80 20.933 44.924 -1.832 1.00 0.00 ATOM 613 CB ALA A 80 21.093 46.269 -2.524 1.00 0.00 ATOM 614 O ALA A 80 18.850 44.828 -0.644 1.00 0.00 ATOM 615 C ALA A 80 19.438 44.644 -1.717 1.00 0.00 ATOM 616 N LEU A 81 18.845 44.214 -2.813 1.00 0.00 ATOM 617 CA LEU A 81 17.401 43.899 -2.836 1.00 0.00 ATOM 618 CB LEU A 81 16.933 43.515 -4.239 1.00 0.00 ATOM 619 CG LEU A 81 16.836 44.727 -5.163 1.00 0.00 ATOM 620 CD1 LEU A 81 16.481 44.274 -6.576 1.00 0.00 ATOM 621 CD2 LEU A 81 15.730 45.639 -4.627 1.00 0.00 ATOM 622 O LEU A 81 16.121 42.923 -1.092 1.00 0.00 ATOM 623 C LEU A 81 17.041 42.775 -1.885 1.00 0.00 ATOM 624 N PHE A 82 17.858 41.727 -1.880 1.00 0.00 ATOM 625 CA PHE A 82 17.630 40.606 -0.965 1.00 0.00 ATOM 626 CB PHE A 82 18.510 39.399 -1.297 1.00 0.00 ATOM 627 CG PHE A 82 17.976 38.746 -2.556 1.00 0.00 ATOM 628 CD1 PHE A 82 18.526 39.075 -3.776 1.00 0.00 ATOM 629 CD2 PHE A 82 16.904 37.890 -2.514 1.00 0.00 ATOM 630 CE1 PHE A 82 18.001 38.559 -4.948 1.00 0.00 ATOM 631 CE2 PHE A 82 16.352 37.386 -3.683 1.00 0.00 ATOM 632 CZ PHE A 82 16.911 37.711 -4.905 1.00 0.00 ATOM 633 O PHE A 82 17.019 40.618 1.364 1.00 0.00 ATOM 634 C PHE A 82 17.815 40.990 0.505 1.00 0.00 ATOM 635 N ARG A 83 18.882 41.725 0.792 1.00 0.00 ATOM 636 CA ARG A 83 19.190 42.148 2.151 1.00 0.00 ATOM 637 CB ARG A 83 20.472 42.959 2.296 1.00 0.00 ATOM 638 CG ARG A 83 21.701 42.088 2.073 1.00 0.00 ATOM 639 CD ARG A 83 22.933 42.746 2.688 1.00 0.00 ATOM 640 NE ARG A 83 23.118 44.104 2.164 1.00 0.00 ATOM 641 CZ ARG A 83 23.812 44.446 1.072 1.00 0.00 ATOM 642 NH1 ARG A 83 24.453 43.527 0.391 1.00 0.00 ATOM 643 NH2 ARG A 83 23.838 45.691 0.604 1.00 0.00 ATOM 644 O ARG A 83 17.527 42.745 3.787 1.00 0.00 ATOM 645 C ARG A 83 18.034 42.991 2.701 1.00 0.00 ATOM 646 N GLU A 84 17.588 43.957 1.906 1.00 0.00 ATOM 647 CA GLU A 84 16.485 44.847 2.317 1.00 0.00 ATOM 648 CB GLU A 84 16.364 45.999 1.325 1.00 0.00 ATOM 649 CG GLU A 84 15.416 47.084 1.858 1.00 0.00 ATOM 650 CD GLU A 84 15.282 48.235 0.875 1.00 0.00 ATOM 651 OE1 GLU A 84 16.337 48.676 0.384 1.00 0.00 ATOM 652 OE2 GLU A 84 14.150 48.688 0.676 1.00 0.00 ATOM 653 O GLU A 84 14.403 44.348 3.412 1.00 0.00 ATOM 654 C GLU A 84 15.134 44.127 2.450 1.00 0.00 ATOM 655 N ARG A 85 14.889 43.177 1.553 1.00 0.00 ATOM 656 CA ARG A 85 13.658 42.357 1.592 1.00 0.00 ATOM 657 CB ARG A 85 13.529 41.498 0.351 1.00 0.00 ATOM 658 CG ARG A 85 13.135 42.359 -0.833 1.00 0.00 ATOM 659 CD ARG A 85 13.268 41.510 -2.069 1.00 0.00 ATOM 660 NE ARG A 85 12.193 40.508 -2.127 1.00 0.00 ATOM 661 CZ ARG A 85 12.166 39.486 -2.975 1.00 0.00 ATOM 662 NH1 ARG A 85 13.133 39.275 -3.865 1.00 0.00 ATOM 663 NH2 ARG A 85 11.165 38.641 -2.951 1.00 0.00 ATOM 664 O ARG A 85 12.598 41.338 3.485 1.00 0.00 ATOM 665 C ARG A 85 13.626 41.463 2.834 1.00 0.00 ATOM 666 N ALA A 86 14.779 40.826 3.186 1.00 0.00 ATOM 667 CA ALA A 86 14.847 39.935 4.338 1.00 0.00 ATOM 668 CB ALA A 86 16.262 39.413 4.441 1.00 0.00 ATOM 669 O ALA A 86 13.753 40.152 6.468 1.00 0.00 ATOM 670 C ALA A 86 14.496 40.668 5.629 1.00 0.00 ATOM 671 N ARG A 87 15.041 41.839 5.762 1.00 0.00 ATOM 672 CA ARG A 87 14.775 42.637 6.950 1.00 0.00 ATOM 673 CB ARG A 87 15.513 43.967 6.895 1.00 0.00 ATOM 674 CG ARG A 87 17.015 43.813 7.031 1.00 0.00 ATOM 675 CD ARG A 87 17.625 45.187 7.232 1.00 0.00 ATOM 676 NE ARG A 87 19.093 45.169 7.091 1.00 0.00 ATOM 677 CZ ARG A 87 19.776 45.148 5.965 1.00 0.00 ATOM 678 NH1 ARG A 87 19.181 45.067 4.795 1.00 0.00 ATOM 679 NH2 ARG A 87 21.079 45.253 6.004 1.00 0.00 ATOM 680 O ARG A 87 12.668 42.729 8.090 1.00 0.00 ATOM 681 C ARG A 87 13.290 42.928 7.061 1.00 0.00 ATOM 682 N ARG A 88 12.670 43.290 5.973 1.00 0.00 ATOM 683 CA ARG A 88 11.232 43.624 6.034 1.00 0.00 ATOM 684 CB ARG A 88 10.823 44.143 4.682 1.00 0.00 ATOM 685 CG ARG A 88 9.301 44.306 4.526 1.00 0.00 ATOM 686 CD ARG A 88 8.905 45.226 3.375 1.00 0.00 ATOM 687 NE ARG A 88 9.750 45.065 2.188 1.00 0.00 ATOM 688 CZ ARG A 88 10.884 45.743 1.980 1.00 0.00 ATOM 689 NH1 ARG A 88 11.357 46.619 2.858 1.00 0.00 ATOM 690 NH2 ARG A 88 11.624 45.495 0.927 1.00 0.00 ATOM 691 O ARG A 88 9.448 42.714 7.333 1.00 0.00 ATOM 692 C ARG A 88 10.337 42.468 6.523 1.00 0.00 ATOM 693 N GLU A 89 10.624 41.266 6.055 1.00 0.00 ATOM 694 CA GLU A 89 9.836 40.047 6.377 1.00 0.00 ATOM 695 CB GLU A 89 9.780 39.144 5.166 1.00 0.00 ATOM 696 CG GLU A 89 9.052 39.708 3.965 1.00 0.00 ATOM 697 CD GLU A 89 8.852 38.535 3.012 1.00 0.00 ATOM 698 OE1 GLU A 89 8.312 37.502 3.467 1.00 0.00 ATOM 699 OE2 GLU A 89 9.223 38.753 1.858 1.00 0.00 ATOM 700 O GLU A 89 11.712 38.994 7.397 1.00 0.00 ATOM 701 C GLU A 89 10.497 39.090 7.374 1.00 0.00 ATOM 702 N ASP A 90 9.596 38.164 7.906 1.00 0.00 ATOM 703 CA ASP A 90 10.015 36.886 8.541 1.00 0.00 ATOM 704 CB ASP A 90 10.420 35.835 7.488 1.00 0.00 ATOM 705 CG ASP A 90 10.721 34.441 8.079 1.00 0.00 ATOM 706 OD1 ASP A 90 10.309 34.216 9.236 1.00 0.00 ATOM 707 OD2 ASP A 90 11.251 33.577 7.350 1.00 0.00 ATOM 708 O ASP A 90 12.244 36.736 9.502 1.00 0.00 ATOM 709 C ASP A 90 11.068 37.013 9.653 1.00 0.00 ATOM 710 N ILE A 91 10.557 37.352 10.822 1.00 0.00 ATOM 711 CA ILE A 91 11.353 37.665 12.031 1.00 0.00 ATOM 712 CB ILE A 91 11.761 39.135 11.970 1.00 0.00 ATOM 713 CG1 ILE A 91 12.864 39.415 12.977 1.00 0.00 ATOM 714 CG2 ILE A 91 10.597 40.149 12.071 1.00 0.00 ATOM 715 CD1 ILE A 91 13.515 40.667 12.447 1.00 0.00 ATOM 716 O ILE A 91 9.361 37.747 13.397 1.00 0.00 ATOM 717 C ILE A 91 10.541 37.422 13.294 1.00 0.00 ATOM 718 N THR A 92 11.304 37.223 14.352 1.00 0.00 ATOM 719 CA THR A 92 10.765 37.070 15.697 1.00 0.00 ATOM 720 CB THR A 92 10.233 35.637 15.871 1.00 0.00 ATOM 721 CG2 THR A 92 11.338 34.614 15.689 1.00 0.00 ATOM 722 OG1 THR A 92 9.652 35.473 17.163 1.00 0.00 ATOM 723 O THR A 92 13.049 37.268 16.462 1.00 0.00 ATOM 724 C THR A 92 11.845 37.392 16.721 1.00 0.00 ATOM 725 N LEU A 93 11.370 37.883 17.841 1.00 0.00 ATOM 726 CA LEU A 93 12.276 38.147 18.947 1.00 0.00 ATOM 727 CB LEU A 93 11.494 38.936 19.941 1.00 0.00 ATOM 728 CG LEU A 93 11.502 40.405 19.710 1.00 0.00 ATOM 729 CD1 LEU A 93 10.465 40.768 20.738 1.00 0.00 ATOM 730 CD2 LEU A 93 12.901 40.956 20.012 1.00 0.00 ATOM 731 O LEU A 93 12.018 35.904 19.752 1.00 0.00 ATOM 732 C LEU A 93 12.757 36.877 19.643 1.00 0.00 ATOM 733 N LEU A 94 14.006 36.927 20.093 1.00 0.00 ATOM 734 CA LEU A 94 14.608 35.776 20.760 1.00 0.00 ATOM 735 CB LEU A 94 16.054 36.059 21.119 1.00 0.00 ATOM 736 CG LEU A 94 16.968 35.058 20.418 1.00 0.00 ATOM 737 CD1 LEU A 94 18.415 35.260 20.848 1.00 0.00 ATOM 738 CD2 LEU A 94 16.583 33.590 20.665 1.00 0.00 ATOM 739 O LEU A 94 13.410 36.483 22.705 1.00 0.00 ATOM 740 C LEU A 94 13.884 35.532 22.076 1.00 0.00 ATOM 741 N GLU A 95 14.027 34.297 22.539 1.00 0.00 ATOM 742 CA GLU A 95 13.480 33.889 23.828 1.00 0.00 ATOM 743 CB GLU A 95 13.923 32.461 24.136 1.00 0.00 ATOM 744 CG GLU A 95 13.141 31.407 23.345 1.00 0.00 ATOM 745 CD GLU A 95 13.448 29.994 23.857 1.00 0.00 ATOM 746 OE1 GLU A 95 14.258 29.837 24.805 1.00 0.00 ATOM 747 OE2 GLU A 95 12.898 29.060 23.233 1.00 0.00 ATOM 748 O GLU A 95 15.169 35.052 25.097 1.00 0.00 ATOM 749 C GLU A 95 13.971 34.794 24.944 1.00 0.00 ATOM 750 N GLY A 96 13.033 35.251 25.869 1.00 0.00 ATOM 751 CA GLY A 96 13.403 36.066 26.992 1.00 0.00 ATOM 752 O GLY A 96 13.542 38.331 27.732 1.00 0.00 ATOM 753 C GLY A 96 13.575 37.576 26.762 1.00 0.00 ATOM 754 N VAL A 97 13.657 38.016 25.510 1.00 0.00 ATOM 755 CA VAL A 97 13.860 39.449 25.186 1.00 0.00 ATOM 756 CB VAL A 97 14.192 39.675 23.697 1.00 0.00 ATOM 757 CG1 VAL A 97 14.292 41.160 23.317 1.00 0.00 ATOM 758 CG2 VAL A 97 15.540 39.057 23.356 1.00 0.00 ATOM 759 O VAL A 97 12.799 41.349 26.202 1.00 0.00 ATOM 760 C VAL A 97 12.654 40.308 25.577 1.00 0.00 ATOM 761 N ARG A 98 11.481 39.901 25.090 1.00 0.00 ATOM 762 CA ARG A 98 10.272 40.702 25.303 1.00 0.00 ATOM 763 CB ARG A 98 9.088 40.084 24.593 1.00 0.00 ATOM 764 CG ARG A 98 8.763 40.745 23.267 1.00 0.00 ATOM 765 CD ARG A 98 7.439 40.273 22.662 1.00 0.00 ATOM 766 NE ARG A 98 7.537 38.859 22.325 1.00 0.00 ATOM 767 CZ ARG A 98 6.660 37.955 22.767 1.00 0.00 ATOM 768 NH1 ARG A 98 5.671 38.380 23.535 1.00 0.00 ATOM 769 NH2 ARG A 98 6.845 36.690 22.406 1.00 0.00 ATOM 770 O ARG A 98 9.686 41.922 27.284 1.00 0.00 ATOM 771 C ARG A 98 10.002 40.835 26.796 1.00 0.00 ATOM 772 N GLU A 99 10.132 39.727 27.534 1.00 0.00 ATOM 773 CA GLU A 99 9.907 39.712 28.974 1.00 0.00 ATOM 774 CB GLU A 99 9.944 38.294 29.501 1.00 0.00 ATOM 775 CG GLU A 99 8.744 37.436 29.099 1.00 0.00 ATOM 776 CD GLU A 99 8.861 36.015 29.647 1.00 0.00 ATOM 777 OE1 GLU A 99 9.883 35.697 30.289 1.00 0.00 ATOM 778 OE2 GLU A 99 7.959 35.208 29.316 1.00 0.00 ATOM 779 O GLU A 99 10.538 41.275 30.669 1.00 0.00 ATOM 780 C GLU A 99 10.911 40.533 29.769 1.00 0.00 ATOM 781 N LEU A 100 12.162 40.492 29.303 1.00 0.00 ATOM 782 CA LEU A 100 13.230 41.330 29.872 1.00 0.00 ATOM 783 CB LEU A 100 14.561 41.040 29.216 1.00 0.00 ATOM 784 CG LEU A 100 15.189 39.687 29.476 1.00 0.00 ATOM 785 CD1 LEU A 100 16.508 39.609 28.745 1.00 0.00 ATOM 786 CD2 LEU A 100 15.411 39.498 30.991 1.00 0.00 ATOM 787 O LEU A 100 13.078 43.626 30.558 1.00 0.00 ATOM 788 C LEU A 100 12.909 42.806 29.655 1.00 0.00 ATOM 789 N LEU A 101 12.428 43.128 28.452 1.00 0.00 ATOM 790 CA LEU A 101 12.059 44.501 28.123 1.00 0.00 ATOM 791 CB LEU A 101 11.603 44.560 26.683 1.00 0.00 ATOM 792 CG LEU A 101 12.751 44.394 25.697 1.00 0.00 ATOM 793 CD1 LEU A 101 12.161 44.411 24.318 1.00 0.00 ATOM 794 CD2 LEU A 101 13.740 45.558 25.684 1.00 0.00 ATOM 795 O LEU A 101 11.116 46.058 29.676 1.00 0.00 ATOM 796 C LEU A 101 10.950 45.017 29.051 1.00 0.00 ATOM 797 N ASP A 102 9.959 44.151 29.279 1.00 0.00 ATOM 798 CA ASP A 102 8.850 44.433 30.208 1.00 0.00 ATOM 799 CB ASP A 102 7.827 43.289 30.134 1.00 0.00 ATOM 800 CG ASP A 102 6.606 43.609 30.998 1.00 0.00 ATOM 801 OD1 ASP A 102 5.871 44.524 30.582 1.00 0.00 ATOM 802 OD2 ASP A 102 6.430 42.912 32.017 1.00 0.00 ATOM 803 O ASP A 102 8.962 45.575 32.319 1.00 0.00 ATOM 804 C ASP A 102 9.355 44.628 31.636 1.00 0.00 ATOM 805 N ALA A 103 10.231 43.730 32.103 1.00 0.00 ATOM 806 CA ALA A 103 10.802 43.797 33.444 1.00 0.00 ATOM 807 CB ALA A 103 11.572 42.500 33.628 1.00 0.00 ATOM 808 O ALA A 103 11.601 45.705 34.662 1.00 0.00 ATOM 809 C ALA A 103 11.687 45.034 33.626 1.00 0.00 ATOM 810 N LEU A 104 12.524 45.350 32.630 1.00 0.00 ATOM 811 CA LEU A 104 13.401 46.519 32.702 1.00 0.00 ATOM 812 CB LEU A 104 14.436 46.524 31.562 1.00 0.00 ATOM 813 CG LEU A 104 15.482 45.398 31.602 1.00 0.00 ATOM 814 CD1 LEU A 104 16.301 45.432 30.310 1.00 0.00 ATOM 815 CD2 LEU A 104 16.451 45.519 32.777 1.00 0.00 ATOM 816 O LEU A 104 12.827 48.741 33.443 1.00 0.00 ATOM 817 C LEU A 104 12.567 47.806 32.684 1.00 0.00 ATOM 818 N SER A 105 11.536 47.867 31.794 1.00 0.00 ATOM 819 CA SER A 105 10.689 49.050 31.661 1.00 0.00 ATOM 820 CB SER A 105 9.657 48.897 30.550 1.00 0.00 ATOM 821 OG SER A 105 8.724 47.869 30.884 1.00 0.00 ATOM 822 O SER A 105 9.609 50.652 33.093 1.00 0.00 ATOM 823 C SER A 105 9.919 49.475 32.920 1.00 0.00 ATOM 824 N SER A 106 9.600 48.495 33.768 1.00 0.00 ATOM 825 CA SER A 106 8.918 48.747 35.062 1.00 0.00 ATOM 826 CB SER A 106 8.412 47.449 35.689 1.00 0.00 ATOM 827 OG SER A 106 9.460 46.702 36.310 1.00 0.00 ATOM 828 O SER A 106 9.300 50.128 37.021 1.00 0.00 ATOM 829 C SER A 106 9.797 49.526 36.058 1.00 0.00 ATOM 830 N ARG A 107 11.103 49.443 35.859 1.00 0.00 ATOM 831 CA ARG A 107 12.094 50.081 36.747 1.00 0.00 ATOM 832 CB ARG A 107 13.250 49.131 37.011 1.00 0.00 ATOM 833 CG ARG A 107 12.808 47.709 37.342 1.00 0.00 ATOM 834 CD ARG A 107 14.020 46.873 37.709 1.00 0.00 ATOM 835 NE ARG A 107 14.754 47.467 38.853 1.00 0.00 ATOM 836 CZ ARG A 107 14.322 47.530 40.105 1.00 0.00 ATOM 837 NH1 ARG A 107 13.122 47.087 40.438 1.00 0.00 ATOM 838 NH2 ARG A 107 15.069 48.029 41.073 1.00 0.00 ATOM 839 O ARG A 107 13.059 51.182 34.837 1.00 0.00 ATOM 840 C ARG A 107 12.725 51.259 36.016 1.00 0.00 ATOM 841 N SER A 108 12.976 52.327 36.769 1.00 0.00 ATOM 842 CA SER A 108 13.771 53.455 36.229 1.00 0.00 ATOM 843 CB SER A 108 13.815 54.661 37.155 1.00 0.00 ATOM 844 OG SER A 108 14.609 54.356 38.296 1.00 0.00 ATOM 845 O SER A 108 16.012 53.853 35.424 1.00 0.00 ATOM 846 C SER A 108 15.212 53.073 35.920 1.00 0.00 ATOM 847 N ASP A 109 15.575 51.708 36.221 1.00 0.00 ATOM 848 CA ASP A 109 16.961 51.264 35.954 1.00 0.00 ATOM 849 CB ASP A 109 16.714 49.847 35.450 1.00 0.00 ATOM 850 CG ASP A 109 16.654 48.747 36.488 1.00 0.00 ATOM 851 OD1 ASP A 109 16.993 48.976 37.673 1.00 0.00 ATOM 852 OD2 ASP A 109 16.250 47.665 36.038 1.00 0.00 ATOM 853 O ASP A 109 18.509 52.985 35.122 1.00 0.00 ATOM 854 C ASP A 109 17.774 52.038 34.894 1.00 0.00 ATOM 855 N VAL A 110 17.464 51.691 33.660 1.00 0.00 ATOM 856 CA VAL A 110 18.169 52.188 32.494 1.00 0.00 ATOM 857 CB VAL A 110 19.327 51.260 32.061 1.00 0.00 ATOM 858 CG1 VAL A 110 20.431 51.286 33.096 1.00 0.00 ATOM 859 CG2 VAL A 110 18.904 49.811 31.811 1.00 0.00 ATOM 860 O VAL A 110 16.156 51.734 31.228 1.00 0.00 ATOM 861 C VAL A 110 17.216 52.350 31.329 1.00 0.00 ATOM 862 N LEU A 111 17.710 53.144 30.406 1.00 0.00 ATOM 863 CA LEU A 111 17.054 53.234 29.115 1.00 0.00 ATOM 864 CB LEU A 111 17.203 54.675 28.648 1.00 0.00 ATOM 865 CG LEU A 111 16.812 55.816 29.578 1.00 0.00 ATOM 866 CD1 LEU A 111 17.165 57.113 28.846 1.00 0.00 ATOM 867 CD2 LEU A 111 15.321 55.755 29.918 1.00 0.00 ATOM 868 O LEU A 111 18.820 51.735 28.441 1.00 0.00 ATOM 869 C LEU A 111 17.691 52.177 28.191 1.00 0.00 ATOM 870 N LEU A 112 16.975 51.782 27.150 1.00 0.00 ATOM 871 CA LEU A 112 17.488 50.726 26.265 1.00 0.00 ATOM 872 CB LEU A 112 16.636 49.456 26.395 1.00 0.00 ATOM 873 CG LEU A 112 16.661 48.785 27.775 1.00 0.00 ATOM 874 CD1 LEU A 112 15.699 47.603 27.731 1.00 0.00 ATOM 875 CD2 LEU A 112 18.040 48.273 28.153 1.00 0.00 ATOM 876 O LEU A 112 16.467 51.684 24.302 1.00 0.00 ATOM 877 C LEU A 112 17.455 51.167 24.806 1.00 0.00 ATOM 878 N GLY A 113 18.544 50.931 24.103 1.00 0.00 ATOM 879 CA GLY A 113 18.604 51.233 22.662 1.00 0.00 ATOM 880 O GLY A 113 19.475 49.066 22.216 1.00 0.00 ATOM 881 C GLY A 113 18.866 50.031 21.789 1.00 0.00 ATOM 882 N LEU A 114 18.468 50.220 20.528 1.00 0.00 ATOM 883 CA LEU A 114 18.690 49.213 19.486 1.00 0.00 ATOM 884 CB LEU A 114 17.380 48.884 18.796 1.00 0.00 ATOM 885 CG LEU A 114 16.497 48.295 19.866 1.00 0.00 ATOM 886 CD1 LEU A 114 15.101 48.134 19.379 1.00 0.00 ATOM 887 CD2 LEU A 114 16.956 46.887 20.060 1.00 0.00 ATOM 888 O LEU A 114 19.473 50.873 17.992 1.00 0.00 ATOM 889 C LEU A 114 19.666 49.754 18.474 1.00 0.00 ATOM 890 N LEU A 115 20.820 49.117 18.455 1.00 0.00 ATOM 891 CA LEU A 115 21.894 49.514 17.551 1.00 0.00 ATOM 892 CB LEU A 115 23.098 49.940 18.369 1.00 0.00 ATOM 893 CG LEU A 115 24.283 50.371 17.498 1.00 0.00 ATOM 894 CD1 LEU A 115 24.014 51.674 16.739 1.00 0.00 ATOM 895 CD2 LEU A 115 25.451 50.527 18.453 1.00 0.00 ATOM 896 O LEU A 115 22.839 47.374 17.137 1.00 0.00 ATOM 897 C LEU A 115 22.295 48.357 16.661 1.00 0.00 ATOM 898 N THR A 116 21.912 48.478 15.403 1.00 0.00 ATOM 899 CA THR A 116 22.343 47.453 14.416 1.00 0.00 ATOM 900 CB THR A 116 21.325 46.305 14.346 1.00 0.00 ATOM 901 CG2 THR A 116 20.202 46.777 13.527 1.00 0.00 ATOM 902 OG1 THR A 116 21.447 45.222 13.434 1.00 0.00 ATOM 903 O THR A 116 22.500 49.120 12.694 1.00 0.00 ATOM 904 C THR A 116 22.736 47.961 13.029 1.00 0.00 ATOM 905 N GLY A 117 23.306 47.026 12.228 1.00 0.00 ATOM 906 CA GLY A 117 23.598 47.339 10.829 1.00 0.00 ATOM 907 O GLY A 117 22.375 48.088 8.904 1.00 0.00 ATOM 908 C GLY A 117 22.366 47.431 9.948 1.00 0.00 ATOM 909 N ASN A 118 21.222 46.694 10.342 1.00 0.00 ATOM 910 CA ASN A 118 19.985 46.712 9.576 1.00 0.00 ATOM 911 CB ASN A 118 18.874 46.027 10.381 1.00 0.00 ATOM 912 CG ASN A 118 19.100 44.516 10.490 1.00 0.00 ATOM 913 ND2 ASN A 118 18.576 43.919 11.570 1.00 0.00 ATOM 914 OD1 ASN A 118 19.734 43.896 9.613 1.00 0.00 ATOM 915 O ASN A 118 19.912 49.003 10.091 1.00 0.00 ATOM 916 C ASN A 118 19.423 48.130 9.396 1.00 0.00 ATOM 917 N PHE A 119 18.621 48.416 8.364 1.00 0.00 ATOM 918 CA PHE A 119 18.110 49.778 8.081 1.00 0.00 ATOM 919 CB PHE A 119 17.290 49.757 6.790 1.00 0.00 ATOM 920 CG PHE A 119 18.181 49.647 5.567 1.00 0.00 ATOM 921 CD1 PHE A 119 18.391 48.428 4.925 1.00 0.00 ATOM 922 CD2 PHE A 119 18.796 50.800 5.115 1.00 0.00 ATOM 923 CE1 PHE A 119 19.219 48.374 3.813 1.00 0.00 ATOM 924 CE2 PHE A 119 19.627 50.746 4.002 1.00 0.00 ATOM 925 CZ PHE A 119 19.838 49.533 3.353 1.00 0.00 ATOM 926 O PHE A 119 16.367 49.713 9.685 1.00 0.00 ATOM 927 C PHE A 119 17.211 50.422 9.154 1.00 0.00 ATOM 928 N GLU A 120 17.299 51.746 9.335 1.00 0.00 ATOM 929 CA GLU A 120 16.506 52.487 10.349 1.00 0.00 ATOM 930 CB GLU A 120 16.676 54.010 10.213 1.00 0.00 ATOM 931 CG GLU A 120 15.726 54.798 11.116 1.00 0.00 ATOM 932 CD GLU A 120 15.751 56.287 10.829 1.00 0.00 ATOM 933 OE1 GLU A 120 15.375 56.672 9.702 1.00 0.00 ATOM 934 OE2 GLU A 120 15.934 57.029 11.820 1.00 0.00 ATOM 935 O GLU A 120 14.364 51.874 11.222 1.00 0.00 ATOM 936 C GLU A 120 15.000 52.255 10.239 1.00 0.00 ATOM 937 N ALA A 121 14.495 52.346 9.032 1.00 0.00 ATOM 938 CA ALA A 121 13.063 52.107 8.875 1.00 0.00 ATOM 939 CB ALA A 121 12.612 52.625 7.513 1.00 0.00 ATOM 940 O ALA A 121 11.754 50.254 9.641 1.00 0.00 ATOM 941 C ALA A 121 12.767 50.625 9.040 1.00 0.00 ATOM 942 N SER A 122 13.687 49.751 8.561 1.00 0.00 ATOM 943 CA SER A 122 13.485 48.309 8.660 1.00 0.00 ATOM 944 CB SER A 122 14.662 47.614 7.998 1.00 0.00 ATOM 945 OG SER A 122 14.686 48.035 6.627 1.00 0.00 ATOM 946 O SER A 122 12.614 47.029 10.458 1.00 0.00 ATOM 947 C SER A 122 13.450 47.847 10.110 1.00 0.00 ATOM 948 N GLY A 123 14.397 48.326 10.897 1.00 0.00 ATOM 949 CA GLY A 123 14.468 48.002 12.322 1.00 0.00 ATOM 950 O GLY A 123 12.641 47.770 13.868 1.00 0.00 ATOM 951 C GLY A 123 13.204 48.474 13.022 1.00 0.00 ATOM 952 N ARG A 124 12.732 49.713 12.667 1.00 0.00 ATOM 953 CA ARG A 124 11.515 50.263 13.254 1.00 0.00 ATOM 954 CB ARG A 124 11.194 51.662 12.722 1.00 0.00 ATOM 955 CG ARG A 124 12.089 52.737 13.316 1.00 0.00 ATOM 956 CD ARG A 124 11.675 54.075 12.714 1.00 0.00 ATOM 957 NE ARG A 124 12.588 55.127 13.162 1.00 0.00 ATOM 958 CZ ARG A 124 12.632 56.355 12.648 1.00 0.00 ATOM 959 NH1 ARG A 124 13.405 57.289 13.140 1.00 0.00 ATOM 960 NH2 ARG A 124 11.811 56.764 11.711 1.00 0.00 ATOM 961 O ARG A 124 9.512 48.869 13.673 1.00 0.00 ATOM 962 C ARG A 124 10.313 49.356 12.888 1.00 0.00 ATOM 963 N HIS A 125 10.328 48.924 11.655 1.00 0.00 ATOM 964 CA HIS A 125 9.290 47.987 11.192 1.00 0.00 ATOM 965 CB HIS A 125 9.400 47.872 9.674 1.00 0.00 ATOM 966 CG HIS A 125 8.325 46.939 9.152 1.00 0.00 ATOM 967 CD2 HIS A 125 7.029 47.200 8.983 1.00 0.00 ATOM 968 ND1 HIS A 125 8.525 45.654 8.906 1.00 0.00 ATOM 969 CE1 HIS A 125 7.355 45.106 8.599 1.00 0.00 ATOM 970 NE2 HIS A 125 6.432 46.069 8.617 1.00 0.00 ATOM 971 O HIS A 125 8.442 46.095 12.451 1.00 0.00 ATOM 972 C HIS A 125 9.410 46.630 11.909 1.00 0.00 ATOM 973 N LYS A 126 10.639 46.189 12.070 1.00 0.00 ATOM 974 CA LYS A 126 10.914 44.970 12.827 1.00 0.00 ATOM 975 CB LYS A 126 12.359 44.534 12.878 1.00 0.00 ATOM 976 CG LYS A 126 12.739 43.902 11.567 1.00 0.00 ATOM 977 CD LYS A 126 14.262 43.862 11.554 1.00 0.00 ATOM 978 CE LYS A 126 14.763 43.381 10.205 1.00 0.00 ATOM 979 NZ LYS A 126 14.307 42.024 9.852 1.00 0.00 ATOM 980 O LYS A 126 9.858 44.336 14.725 1.00 0.00 ATOM 981 C LYS A 126 10.528 45.194 14.265 1.00 0.00 ATOM 982 N LEU A 127 10.796 46.252 14.975 1.00 0.00 ATOM 983 CA LEU A 127 10.411 46.313 16.405 1.00 0.00 ATOM 984 CB LEU A 127 10.938 47.592 17.013 1.00 0.00 ATOM 985 CG LEU A 127 12.440 47.695 16.889 1.00 0.00 ATOM 986 CD1 LEU A 127 12.753 49.078 17.431 1.00 0.00 ATOM 987 CD2 LEU A 127 13.126 46.499 17.548 1.00 0.00 ATOM 988 O LEU A 127 8.401 45.683 17.592 1.00 0.00 ATOM 989 C LEU A 127 8.911 46.324 16.658 1.00 0.00 ATOM 990 N LYS A 128 8.256 47.089 15.809 1.00 0.00 ATOM 991 CA LYS A 128 6.794 47.233 15.851 1.00 0.00 ATOM 992 CB LYS A 128 6.311 48.221 14.803 1.00 0.00 ATOM 993 CG LYS A 128 6.638 49.637 15.238 1.00 0.00 ATOM 994 CD LYS A 128 6.123 50.581 14.184 1.00 0.00 ATOM 995 CE LYS A 128 6.554 51.950 14.666 1.00 0.00 ATOM 996 NZ LYS A 128 6.093 52.838 13.636 1.00 0.00 ATOM 997 O LYS A 128 5.159 45.525 16.327 1.00 0.00 ATOM 998 C LYS A 128 6.118 45.877 15.615 1.00 0.00 ATOM 999 N LEU A 129 6.669 45.104 14.657 1.00 0.00 ATOM 1000 CA LEU A 129 6.078 43.805 14.348 1.00 0.00 ATOM 1001 CB LEU A 129 6.632 43.269 13.000 1.00 0.00 ATOM 1002 CG LEU A 129 6.170 41.834 12.740 1.00 0.00 ATOM 1003 CD1 LEU A 129 4.708 41.868 12.348 1.00 0.00 ATOM 1004 CD2 LEU A 129 6.927 41.110 11.628 1.00 0.00 ATOM 1005 O LEU A 129 5.194 42.187 15.864 1.00 0.00 ATOM 1006 C LEU A 129 6.204 42.827 15.509 1.00 0.00 ATOM 1007 N PRO A 130 7.368 42.598 16.223 1.00 0.00 ATOM 1008 CA PRO A 130 7.426 41.670 17.362 1.00 0.00 ATOM 1009 CB PRO A 130 8.933 41.419 17.552 1.00 0.00 ATOM 1010 CG PRO A 130 9.603 42.655 16.938 1.00 0.00 ATOM 1011 CD PRO A 130 8.724 42.997 15.776 1.00 0.00 ATOM 1012 O PRO A 130 6.760 41.432 19.624 1.00 0.00 ATOM 1013 C PRO A 130 6.890 42.215 18.685 1.00 0.00 ATOM 1014 N GLY A 131 6.571 43.513 18.735 1.00 0.00 ATOM 1015 CA GLY A 131 5.994 44.152 19.933 1.00 0.00 ATOM 1016 O GLY A 131 6.904 44.139 22.177 1.00 0.00 ATOM 1017 C GLY A 131 7.037 44.487 20.999 1.00 0.00 ATOM 1018 N ILE A 132 8.168 44.996 20.516 1.00 0.00 ATOM 1019 CA ILE A 132 9.265 45.445 21.389 1.00 0.00 ATOM 1020 CB ILE A 132 10.514 44.625 21.207 1.00 0.00 ATOM 1021 CG1 ILE A 132 10.871 44.385 19.737 1.00 0.00 ATOM 1022 CG2 ILE A 132 10.152 43.439 22.078 1.00 0.00 ATOM 1023 CD1 ILE A 132 12.338 44.026 19.557 1.00 0.00 ATOM 1024 O ILE A 132 10.444 47.358 22.155 1.00 0.00 ATOM 1025 C ILE A 132 9.704 46.889 21.295 1.00 0.00 ATOM 1026 N ASP A 133 9.145 47.522 20.285 1.00 0.00 ATOM 1027 CA ASP A 133 9.416 48.925 19.963 1.00 0.00 ATOM 1028 CB ASP A 133 8.461 49.396 18.870 1.00 0.00 ATOM 1029 CG ASP A 133 8.839 50.815 18.447 1.00 0.00 ATOM 1030 OD1 ASP A 133 10.043 51.050 18.180 1.00 0.00 ATOM 1031 OD2 ASP A 133 7.947 51.694 18.492 1.00 0.00 ATOM 1032 O ASP A 133 9.878 50.709 21.458 1.00 0.00 ATOM 1033 C ASP A 133 9.155 49.764 21.202 1.00 0.00 ATOM 1034 N HIS A 134 8.119 49.455 21.972 1.00 0.00 ATOM 1035 CA HIS A 134 7.852 50.249 23.170 1.00 0.00 ATOM 1036 CB HIS A 134 6.597 49.586 23.732 1.00 0.00 ATOM 1037 CG HIS A 134 5.378 49.953 22.896 1.00 0.00 ATOM 1038 CD2 HIS A 134 5.023 49.414 21.738 1.00 0.00 ATOM 1039 ND1 HIS A 134 4.452 50.832 23.253 1.00 0.00 ATOM 1040 CE1 HIS A 134 3.512 50.840 22.321 1.00 0.00 ATOM 1041 NE2 HIS A 134 3.865 49.962 21.390 1.00 0.00 ATOM 1042 O HIS A 134 8.758 51.161 25.187 1.00 0.00 ATOM 1043 C HIS A 134 8.895 50.342 24.281 1.00 0.00 ATOM 1044 N TYR A 135 9.813 49.383 24.290 1.00 0.00 ATOM 1045 CA TYR A 135 10.758 49.250 25.407 1.00 0.00 ATOM 1046 CB TYR A 135 10.939 47.777 25.734 1.00 0.00 ATOM 1047 CG TYR A 135 9.615 47.138 26.172 1.00 0.00 ATOM 1048 CD1 TYR A 135 9.099 47.425 27.424 1.00 0.00 ATOM 1049 CD2 TYR A 135 8.936 46.251 25.352 1.00 0.00 ATOM 1050 CE1 TYR A 135 7.907 46.859 27.840 1.00 0.00 ATOM 1051 CE2 TYR A 135 7.743 45.687 25.769 1.00 0.00 ATOM 1052 CZ TYR A 135 7.214 45.994 27.019 1.00 0.00 ATOM 1053 OH TYR A 135 5.967 45.572 27.334 1.00 0.00 ATOM 1054 O TYR A 135 12.891 50.045 26.190 1.00 0.00 ATOM 1055 C TYR A 135 12.112 49.970 25.235 1.00 0.00 ATOM 1056 N PHE A 136 12.259 50.672 24.123 1.00 0.00 ATOM 1057 CA PHE A 136 13.515 51.388 23.796 1.00 0.00 ATOM 1058 CB PHE A 136 14.044 50.916 22.434 1.00 0.00 ATOM 1059 CG PHE A 136 14.273 49.411 22.417 1.00 0.00 ATOM 1060 CD1 PHE A 136 15.460 48.872 22.891 1.00 0.00 ATOM 1061 CD2 PHE A 136 13.248 48.575 21.978 1.00 0.00 ATOM 1062 CE1 PHE A 136 15.634 47.497 22.938 1.00 0.00 ATOM 1063 CE2 PHE A 136 13.431 47.197 22.001 1.00 0.00 ATOM 1064 CZ PHE A 136 14.618 46.660 22.475 1.00 0.00 ATOM 1065 O PHE A 136 12.498 53.376 22.966 1.00 0.00 ATOM 1066 C PHE A 136 13.317 52.911 23.740 1.00 0.00 ATOM 1067 N PRO A 137 14.120 53.728 24.419 1.00 0.00 ATOM 1068 CA PRO A 137 14.150 55.191 24.177 1.00 0.00 ATOM 1069 CB PRO A 137 15.308 55.699 25.009 1.00 0.00 ATOM 1070 CG PRO A 137 15.229 54.770 26.201 1.00 0.00 ATOM 1071 CD PRO A 137 14.695 53.423 25.726 1.00 0.00 ATOM 1072 O PRO A 137 13.733 56.426 22.167 1.00 0.00 ATOM 1073 C PRO A 137 14.454 55.565 22.712 1.00 0.00 ATOM 1074 N PHE A 138 15.419 54.891 22.115 1.00 0.00 ATOM 1075 CA PHE A 138 15.749 55.168 20.714 1.00 0.00 ATOM 1076 CB PHE A 138 16.934 56.139 20.631 1.00 0.00 ATOM 1077 CG PHE A 138 16.768 57.397 21.475 1.00 0.00 ATOM 1078 CD1 PHE A 138 17.351 57.493 22.735 1.00 0.00 ATOM 1079 CD2 PHE A 138 16.050 58.453 20.949 1.00 0.00 ATOM 1080 CE1 PHE A 138 17.209 58.659 23.475 1.00 0.00 ATOM 1081 CE2 PHE A 138 15.910 59.625 21.679 1.00 0.00 ATOM 1082 CZ PHE A 138 16.484 59.726 22.940 1.00 0.00 ATOM 1083 O PHE A 138 16.756 52.981 20.494 1.00 0.00 ATOM 1084 C PHE A 138 16.133 53.909 19.958 1.00 0.00 ATOM 1085 N GLY A 139 15.871 53.984 18.666 1.00 0.00 ATOM 1086 CA GLY A 139 16.373 52.974 17.718 1.00 0.00 ATOM 1087 O GLY A 139 16.928 54.605 16.092 1.00 0.00 ATOM 1088 C GLY A 139 17.283 53.591 16.676 1.00 0.00 ATOM 1089 N ALA A 140 18.439 52.994 16.485 1.00 0.00 ATOM 1090 CA ALA A 140 19.375 53.467 15.488 1.00 0.00 ATOM 1091 CB ALA A 140 20.594 54.207 15.998 1.00 0.00 ATOM 1092 O ALA A 140 20.249 51.231 15.171 1.00 0.00 ATOM 1093 C ALA A 140 19.852 52.287 14.678 1.00 0.00 ATOM 1094 N PHE A 141 19.711 52.536 13.394 1.00 0.00 ATOM 1095 CA PHE A 141 20.145 51.562 12.397 1.00 0.00 ATOM 1096 CB PHE A 141 18.867 51.027 11.797 1.00 0.00 ATOM 1097 CG PHE A 141 17.921 50.202 12.648 1.00 0.00 ATOM 1098 CD1 PHE A 141 16.826 50.730 13.260 1.00 0.00 ATOM 1099 CD2 PHE A 141 18.256 48.926 12.919 1.00 0.00 ATOM 1100 CE1 PHE A 141 16.125 50.000 14.207 1.00 0.00 ATOM 1101 CE2 PHE A 141 17.579 48.173 13.881 1.00 0.00 ATOM 1102 CZ PHE A 141 16.522 48.721 14.555 1.00 0.00 ATOM 1103 O PHE A 141 21.476 53.360 11.515 1.00 0.00 ATOM 1104 C PHE A 141 21.036 52.217 11.350 1.00 0.00 ATOM 1105 N ALA A 142 21.120 51.542 10.131 1.00 0.00 ATOM 1106 CA ALA A 142 21.918 52.028 9.015 1.00 0.00 ATOM 1107 CB ALA A 142 22.046 50.891 8.048 1.00 0.00 ATOM 1108 O ALA A 142 19.945 52.968 8.165 1.00 0.00 ATOM 1109 C ALA A 142 21.156 53.149 8.322 1.00 0.00 ATOM 1110 N ASP A 143 21.930 53.893 7.680 1.00 0.00 ATOM 1111 CA ASP A 143 21.488 55.130 7.020 1.00 0.00 ATOM 1112 CB ASP A 143 20.888 56.081 8.070 1.00 0.00 ATOM 1113 CG ASP A 143 19.916 57.103 7.472 1.00 0.00 ATOM 1114 OD1 ASP A 143 19.771 57.112 6.234 1.00 0.00 ATOM 1115 OD2 ASP A 143 19.395 57.931 8.250 1.00 0.00 ATOM 1116 O ASP A 143 23.866 55.450 6.715 1.00 0.00 ATOM 1117 C ASP A 143 22.708 55.842 6.459 1.00 0.00 ATOM 1118 N ASP A 144 22.470 56.945 5.585 1.00 0.00 ATOM 1119 CA ASP A 144 23.559 57.651 4.958 1.00 0.00 ATOM 1120 CB ASP A 144 22.957 58.781 4.126 1.00 0.00 ATOM 1121 CG ASP A 144 22.330 58.307 2.815 1.00 0.00 ATOM 1122 OD1 ASP A 144 22.548 57.157 2.392 1.00 0.00 ATOM 1123 OD2 ASP A 144 21.805 59.228 2.158 1.00 0.00 ATOM 1124 O ASP A 144 25.674 58.137 5.977 1.00 0.00 ATOM 1125 C ASP A 144 24.453 58.150 6.091 1.00 0.00 ATOM 1126 N ALA A 145 23.815 58.598 7.188 1.00 0.00 ATOM 1127 CA ALA A 145 24.555 59.116 8.335 1.00 0.00 ATOM 1128 CB ALA A 145 23.509 59.383 9.401 1.00 0.00 ATOM 1129 O ALA A 145 26.438 58.371 9.620 1.00 0.00 ATOM 1130 C ALA A 145 25.418 58.055 9.012 1.00 0.00 ATOM 1131 N LEU A 146 25.000 56.801 8.871 1.00 0.00 ATOM 1132 CA LEU A 146 25.742 55.704 9.483 1.00 0.00 ATOM 1133 CB LEU A 146 24.985 54.421 9.172 1.00 0.00 ATOM 1134 CG LEU A 146 25.655 53.219 9.826 1.00 0.00 ATOM 1135 CD1 LEU A 146 25.480 53.340 11.327 1.00 0.00 ATOM 1136 CD2 LEU A 146 25.132 51.889 9.317 1.00 0.00 ATOM 1137 O LEU A 146 28.108 55.498 9.813 1.00 0.00 ATOM 1138 C LEU A 146 27.187 55.586 9.004 1.00 0.00 ATOM 1139 N ASP A 147 27.384 55.579 7.708 1.00 0.00 ATOM 1140 CA ASP A 147 28.736 55.474 7.170 1.00 0.00 ATOM 1141 CB ASP A 147 28.703 55.389 5.647 1.00 0.00 ATOM 1142 CG ASP A 147 28.090 54.114 5.087 1.00 0.00 ATOM 1143 OD1 ASP A 147 27.986 53.149 5.871 1.00 0.00 ATOM 1144 OD2 ASP A 147 27.853 54.116 3.854 1.00 0.00 ATOM 1145 O ASP A 147 30.738 56.394 8.145 1.00 0.00 ATOM 1146 C ASP A 147 29.660 56.611 7.593 1.00 0.00 ATOM 1147 N ARG A 148 29.132 57.828 7.491 1.00 0.00 ATOM 1148 CA ARG A 148 29.900 59.015 7.887 1.00 0.00 ATOM 1149 CB ARG A 148 29.137 60.288 7.600 1.00 0.00 ATOM 1150 CG ARG A 148 29.038 60.433 6.099 1.00 0.00 ATOM 1151 CD ARG A 148 28.362 61.757 5.863 1.00 0.00 ATOM 1152 NE ARG A 148 28.393 62.038 4.441 1.00 0.00 ATOM 1153 CZ ARG A 148 27.536 62.857 3.843 1.00 0.00 ATOM 1154 NH1 ARG A 148 26.538 63.443 4.470 1.00 0.00 ATOM 1155 NH2 ARG A 148 27.749 63.263 2.628 1.00 0.00 ATOM 1156 O ARG A 148 31.459 59.312 9.699 1.00 0.00 ATOM 1157 C ARG A 148 30.321 58.960 9.367 1.00 0.00 ATOM 1158 N ASN A 149 29.420 58.480 10.237 1.00 0.00 ATOM 1159 CA ASN A 149 29.698 58.551 11.664 1.00 0.00 ATOM 1160 CB ASN A 149 28.396 58.622 12.454 1.00 0.00 ATOM 1161 CG ASN A 149 27.787 60.002 12.280 1.00 0.00 ATOM 1162 ND2 ASN A 149 26.514 60.097 12.539 1.00 0.00 ATOM 1163 OD1 ASN A 149 28.396 60.967 11.829 1.00 0.00 ATOM 1164 O ASN A 149 31.552 57.640 12.862 1.00 0.00 ATOM 1165 C ASN A 149 30.603 57.416 12.108 1.00 0.00 ATOM 1166 N GLU A 150 30.384 56.266 11.496 1.00 0.00 ATOM 1167 CA GLU A 150 31.296 55.131 11.634 1.00 0.00 ATOM 1168 CB GLU A 150 31.241 54.397 12.970 1.00 0.00 ATOM 1169 CG GLU A 150 32.723 54.434 13.325 1.00 0.00 ATOM 1170 CD GLU A 150 33.524 53.147 13.429 1.00 0.00 ATOM 1171 OE1 GLU A 150 33.131 52.099 12.871 1.00 0.00 ATOM 1172 OE2 GLU A 150 34.590 53.300 14.048 1.00 0.00 ATOM 1173 O GLU A 150 30.339 54.123 9.665 1.00 0.00 ATOM 1174 C GLU A 150 31.224 54.120 10.515 1.00 0.00 ATOM 1175 N LEU A 151 32.303 53.354 10.474 1.00 0.00 ATOM 1176 CA LEU A 151 32.411 52.262 9.521 1.00 0.00 ATOM 1177 CB LEU A 151 33.728 51.524 9.704 1.00 0.00 ATOM 1178 CG LEU A 151 34.984 52.396 9.673 1.00 0.00 ATOM 1179 CD1 LEU A 151 36.214 51.504 9.828 1.00 0.00 ATOM 1180 CD2 LEU A 151 35.086 53.153 8.343 1.00 0.00 ATOM 1181 O LEU A 151 30.896 50.962 10.863 1.00 0.00 ATOM 1182 C LEU A 151 31.249 51.289 9.739 1.00 0.00 ATOM 1183 N PRO A 152 30.735 50.749 8.625 1.00 0.00 ATOM 1184 CA PRO A 152 29.633 49.784 8.651 1.00 0.00 ATOM 1185 CB PRO A 152 29.404 49.437 7.178 1.00 0.00 ATOM 1186 CG PRO A 152 29.831 50.715 6.458 1.00 0.00 ATOM 1187 CD PRO A 152 31.063 51.156 7.244 1.00 0.00 ATOM 1188 O PRO A 152 29.072 47.944 10.070 1.00 0.00 ATOM 1189 C PRO A 152 29.960 48.526 9.467 1.00 0.00 ATOM 1190 N HIS A 153 31.239 48.204 9.636 1.00 0.00 ATOM 1191 CA HIS A 153 31.628 46.996 10.384 1.00 0.00 ATOM 1192 CB HIS A 153 33.085 46.638 10.115 1.00 0.00 ATOM 1193 CG HIS A 153 33.463 46.368 8.654 1.00 0.00 ATOM 1194 CD2 HIS A 153 34.086 45.275 8.240 1.00 0.00 ATOM 1195 ND1 HIS A 153 33.174 47.114 7.583 1.00 0.00 ATOM 1196 CE1 HIS A 153 33.622 46.429 6.528 1.00 0.00 ATOM 1197 NE2 HIS A 153 34.186 45.302 6.921 1.00 0.00 ATOM 1198 O HIS A 153 31.143 46.107 12.574 1.00 0.00 ATOM 1199 C HIS A 153 31.402 47.099 11.905 1.00 0.00 ATOM 1200 N ILE A 154 31.592 48.305 12.435 1.00 0.00 ATOM 1201 CA ILE A 154 31.493 48.608 13.873 1.00 0.00 ATOM 1202 CB ILE A 154 32.861 49.183 14.316 1.00 0.00 ATOM 1203 CG1 ILE A 154 33.927 48.081 14.303 1.00 0.00 ATOM 1204 CG2 ILE A 154 32.844 49.909 15.659 1.00 0.00 ATOM 1205 CD1 ILE A 154 35.339 48.669 14.178 1.00 0.00 ATOM 1206 O ILE A 154 30.253 50.628 13.403 1.00 0.00 ATOM 1207 C ILE A 154 30.363 49.624 14.083 1.00 0.00 ATOM 1208 N ALA A 155 29.678 49.443 15.201 1.00 0.00 ATOM 1209 CA ALA A 155 28.655 50.400 15.624 1.00 0.00 ATOM 1210 CB ALA A 155 27.712 49.521 16.403 1.00 0.00 ATOM 1211 O ALA A 155 29.912 51.161 17.515 1.00 0.00 ATOM 1212 C ALA A 155 29.301 51.469 16.493 1.00 0.00 ATOM 1213 N LEU A 156 29.052 52.833 16.135 1.00 0.00 ATOM 1214 CA LEU A 156 29.743 53.937 16.772 1.00 0.00 ATOM 1215 CB LEU A 156 31.207 53.697 16.350 1.00 0.00 ATOM 1216 CG LEU A 156 32.281 54.242 17.272 1.00 0.00 ATOM 1217 CD1 LEU A 156 33.342 53.186 17.613 1.00 0.00 ATOM 1218 CD2 LEU A 156 32.953 55.436 16.599 1.00 0.00 ATOM 1219 O LEU A 156 29.706 56.175 17.599 1.00 0.00 ATOM 1220 C LEU A 156 29.156 55.351 16.884 1.00 0.00 ATOM 1221 N GLU A 157 28.110 55.805 16.177 1.00 0.00 ATOM 1222 CA GLU A 157 27.499 57.150 16.281 1.00 0.00 ATOM 1223 CB GLU A 157 26.582 57.115 15.082 1.00 0.00 ATOM 1224 CG GLU A 157 25.496 58.174 15.013 1.00 0.00 ATOM 1225 CD GLU A 157 24.579 57.875 13.844 1.00 0.00 ATOM 1226 OE1 GLU A 157 25.095 57.479 12.781 1.00 0.00 ATOM 1227 OE2 GLU A 157 23.419 58.259 14.078 1.00 0.00 ATOM 1228 O GLU A 157 26.532 58.598 18.020 1.00 0.00 ATOM 1229 C GLU A 157 26.712 57.456 17.572 1.00 0.00 ATOM 1230 N ARG A 158 26.203 56.369 18.128 1.00 0.00 ATOM 1231 CA ARG A 158 25.391 56.374 19.348 1.00 0.00 ATOM 1232 CB ARG A 158 25.044 54.922 19.644 1.00 0.00 ATOM 1233 CG ARG A 158 24.251 54.822 20.941 1.00 0.00 ATOM 1234 CD ARG A 158 22.880 55.435 20.798 1.00 0.00 ATOM 1235 NE ARG A 158 22.143 55.234 22.036 1.00 0.00 ATOM 1236 CZ ARG A 158 21.050 55.932 22.334 1.00 0.00 ATOM 1237 NH1 ARG A 158 20.409 55.700 23.455 1.00 0.00 ATOM 1238 NH2 ARG A 158 20.535 56.842 21.513 1.00 0.00 ATOM 1239 O ARG A 158 25.553 57.784 21.281 1.00 0.00 ATOM 1240 C ARG A 158 26.126 56.985 20.541 1.00 0.00 ATOM 1241 N ALA A 159 27.380 56.585 20.707 1.00 0.00 ATOM 1242 CA ALA A 159 28.195 57.104 21.813 1.00 0.00 ATOM 1243 CB ALA A 159 29.501 56.359 21.933 1.00 0.00 ATOM 1244 O ALA A 159 28.388 59.353 22.649 1.00 0.00 ATOM 1245 C ALA A 159 28.383 58.614 21.662 1.00 0.00 ATOM 1246 N ARG A 160 28.575 59.074 20.419 1.00 0.00 ATOM 1247 CA ARG A 160 28.754 60.496 20.137 1.00 0.00 ATOM 1248 CB ARG A 160 28.874 60.748 18.644 1.00 0.00 ATOM 1249 CG ARG A 160 30.156 60.161 18.079 1.00 0.00 ATOM 1250 CD ARG A 160 30.022 60.346 16.584 1.00 0.00 ATOM 1251 NE ARG A 160 31.287 59.964 15.977 1.00 0.00 ATOM 1252 CZ ARG A 160 31.581 60.020 14.690 1.00 0.00 ATOM 1253 NH1 ARG A 160 32.782 59.623 14.272 1.00 0.00 ATOM 1254 NH2 ARG A 160 30.692 60.463 13.805 1.00 0.00 ATOM 1255 O ARG A 160 27.736 62.244 21.416 1.00 0.00 ATOM 1256 C ARG A 160 27.562 61.312 20.643 1.00 0.00 ATOM 1257 N ARG A 161 26.362 60.801 20.349 1.00 0.00 ATOM 1258 CA ARG A 161 25.104 61.420 20.796 1.00 0.00 ATOM 1259 CB ARG A 161 23.912 60.786 20.159 1.00 0.00 ATOM 1260 CG ARG A 161 23.665 61.391 18.783 1.00 0.00 ATOM 1261 CD ARG A 161 22.619 60.633 17.986 1.00 0.00 ATOM 1262 NE ARG A 161 23.178 59.448 17.337 1.00 0.00 ATOM 1263 CZ ARG A 161 22.817 58.198 17.610 1.00 0.00 ATOM 1264 NH1 ARG A 161 21.899 57.946 18.532 1.00 0.00 ATOM 1265 NH2 ARG A 161 23.350 57.198 16.921 1.00 0.00 ATOM 1266 O ARG A 161 24.586 62.347 22.976 1.00 0.00 ATOM 1267 C ARG A 161 24.938 61.368 22.321 1.00 0.00 ATOM 1268 N MET A 162 25.271 60.226 22.902 1.00 0.00 ATOM 1269 CA MET A 162 25.247 60.063 24.376 1.00 0.00 ATOM 1270 CB MET A 162 25.446 58.608 24.783 1.00 0.00 ATOM 1271 CG MET A 162 24.201 57.820 24.368 1.00 0.00 ATOM 1272 SD MET A 162 24.234 56.078 24.907 1.00 0.00 ATOM 1273 CE MET A 162 25.563 55.505 23.900 1.00 0.00 ATOM 1274 O MET A 162 25.920 61.648 26.046 1.00 0.00 ATOM 1275 C MET A 162 26.266 60.963 25.081 1.00 0.00 ATOM 1276 N THR A 163 27.453 61.095 24.485 1.00 0.00 ATOM 1277 CA THR A 163 28.505 62.034 24.930 1.00 0.00 ATOM 1278 CB THR A 163 29.783 61.921 24.080 1.00 0.00 ATOM 1279 CG2 THR A 163 30.887 62.917 24.448 1.00 0.00 ATOM 1280 OG1 THR A 163 30.331 60.612 24.214 1.00 0.00 ATOM 1281 O THR A 163 28.344 64.254 25.777 1.00 0.00 ATOM 1282 C THR A 163 27.964 63.460 24.915 1.00 0.00 ATOM 1283 N GLY A 164 27.069 63.745 23.907 1.00 0.00 ATOM 1284 CA GLY A 164 26.526 65.122 23.748 1.00 0.00 ATOM 1285 O GLY A 164 25.850 66.684 25.487 1.00 0.00 ATOM 1286 C GLY A 164 25.746 65.552 25.003 1.00 0.00 ATOM 1287 N ALA A 165 25.162 64.543 25.629 1.00 0.00 ATOM 1288 CA ALA A 165 24.389 64.721 26.862 1.00 0.00 ATOM 1289 CB ALA A 165 23.108 63.892 26.695 1.00 0.00 ATOM 1290 O ALA A 165 24.565 64.348 29.223 1.00 0.00 ATOM 1291 C ALA A 165 25.142 64.321 28.137 1.00 0.00 ATOM 1292 N ASN A 166 26.448 64.056 27.998 1.00 0.00 ATOM 1293 CA ASN A 166 27.326 63.588 29.084 1.00 0.00 ATOM 1294 CB ASN A 166 27.443 64.651 30.182 1.00 0.00 ATOM 1295 CG ASN A 166 28.523 64.321 31.199 1.00 0.00 ATOM 1296 ND2 ASN A 166 28.276 64.731 32.420 1.00 0.00 ATOM 1297 OD1 ASN A 166 29.536 63.676 30.953 1.00 0.00 ATOM 1298 O ASN A 166 27.340 61.827 30.717 1.00 0.00 ATOM 1299 C ASN A 166 26.973 62.212 29.610 1.00 0.00 ATOM 1300 N TYR A 167 26.231 61.478 28.792 1.00 0.00 ATOM 1301 CA TYR A 167 25.886 60.105 29.136 1.00 0.00 ATOM 1302 CB TYR A 167 24.682 59.715 28.256 1.00 0.00 ATOM 1303 CG TYR A 167 23.303 60.046 28.783 1.00 0.00 ATOM 1304 CD1 TYR A 167 22.764 61.307 28.625 1.00 0.00 ATOM 1305 CD2 TYR A 167 22.584 59.048 29.418 1.00 0.00 ATOM 1306 CE1 TYR A 167 21.490 61.612 29.102 1.00 0.00 ATOM 1307 CE2 TYR A 167 21.316 59.336 29.894 1.00 0.00 ATOM 1308 CZ TYR A 167 20.791 60.596 29.732 1.00 0.00 ATOM 1309 OH TYR A 167 19.534 60.859 30.222 1.00 0.00 ATOM 1310 O TYR A 167 27.246 58.216 29.695 1.00 0.00 ATOM 1311 C TYR A 167 27.197 59.322 29.161 1.00 0.00 ATOM 1312 N SER A 168 28.315 60.039 28.540 1.00 0.00 ATOM 1313 CA SER A 168 29.650 59.437 28.504 1.00 0.00 ATOM 1314 CB SER A 168 30.342 59.684 29.854 1.00 0.00 ATOM 1315 OG SER A 168 31.686 59.181 29.799 1.00 0.00 ATOM 1316 O SER A 168 28.998 57.120 28.650 1.00 0.00 ATOM 1317 C SER A 168 29.764 57.935 28.155 1.00 0.00 ATOM 1318 N PRO A 169 30.822 57.486 27.483 1.00 0.00 ATOM 1319 CA PRO A 169 30.950 56.044 27.190 1.00 0.00 ATOM 1320 CB PRO A 169 32.304 55.979 26.537 1.00 0.00 ATOM 1321 CG PRO A 169 32.461 57.317 25.833 1.00 0.00 ATOM 1322 CD PRO A 169 31.889 58.285 26.850 1.00 0.00 ATOM 1323 O PRO A 169 30.444 54.037 28.471 1.00 0.00 ATOM 1324 C PRO A 169 30.972 55.153 28.431 1.00 0.00 ATOM 1325 N SER A 170 31.474 55.654 29.573 1.00 0.00 ATOM 1326 CA SER A 170 31.499 54.981 30.857 1.00 0.00 ATOM 1327 CB SER A 170 32.231 55.830 31.905 1.00 0.00 ATOM 1328 OG SER A 170 31.497 57.020 32.217 1.00 0.00 ATOM 1329 O SER A 170 29.988 53.659 32.205 1.00 0.00 ATOM 1330 C SER A 170 30.122 54.621 31.430 1.00 0.00 ATOM 1331 N GLN A 171 29.109 55.373 31.013 1.00 0.00 ATOM 1332 CA GLN A 171 27.744 55.206 31.552 1.00 0.00 ATOM 1333 CB GLN A 171 27.308 56.627 31.962 1.00 0.00 ATOM 1334 CG GLN A 171 25.876 56.864 32.491 1.00 0.00 ATOM 1335 CD GLN A 171 25.686 58.216 33.195 1.00 0.00 ATOM 1336 OE1 GLN A 171 25.159 58.422 34.280 1.00 0.00 ATOM 1337 NE2 GLN A 171 25.977 59.238 32.444 1.00 0.00 ATOM 1338 O GLN A 171 25.716 54.068 30.963 1.00 0.00 ATOM 1339 C GLN A 171 26.893 54.287 30.676 1.00 0.00 ATOM 1340 N ILE A 172 27.461 53.626 29.665 1.00 0.00 ATOM 1341 CA ILE A 172 26.728 52.746 28.761 1.00 0.00 ATOM 1342 CB ILE A 172 26.554 53.339 27.352 1.00 0.00 ATOM 1343 CG1 ILE A 172 27.902 53.618 26.687 1.00 0.00 ATOM 1344 CG2 ILE A 172 25.799 54.651 27.463 1.00 0.00 ATOM 1345 CD1 ILE A 172 27.946 53.644 25.165 1.00 0.00 ATOM 1346 O ILE A 172 28.548 51.135 28.890 1.00 0.00 ATOM 1347 C ILE A 172 27.356 51.353 28.645 1.00 0.00 ATOM 1348 N VAL A 173 26.494 50.418 28.299 1.00 0.00 ATOM 1349 CA VAL A 173 26.917 49.039 28.001 1.00 0.00 ATOM 1350 CB VAL A 173 26.688 48.169 29.251 1.00 0.00 ATOM 1351 CG1 VAL A 173 25.221 48.033 29.657 1.00 0.00 ATOM 1352 CG2 VAL A 173 27.327 46.796 29.068 1.00 0.00 ATOM 1353 O VAL A 173 25.030 48.595 26.619 1.00 0.00 ATOM 1354 C VAL A 173 26.247 48.446 26.799 1.00 0.00 ATOM 1355 N ILE A 174 27.017 47.694 25.998 1.00 0.00 ATOM 1356 CA ILE A 174 26.491 46.966 24.838 1.00 0.00 ATOM 1357 CB ILE A 174 27.240 47.168 23.498 1.00 0.00 ATOM 1358 CG1 ILE A 174 27.316 48.656 23.127 1.00 0.00 ATOM 1359 CG2 ILE A 174 26.535 46.372 22.381 1.00 0.00 ATOM 1360 CD1 ILE A 174 28.148 48.946 21.869 1.00 0.00 ATOM 1361 O ILE A 174 27.383 44.825 25.492 1.00 0.00 ATOM 1362 C ILE A 174 26.383 45.457 25.147 1.00 0.00 ATOM 1363 N ILE A 175 25.193 44.961 24.969 1.00 0.00 ATOM 1364 CA ILE A 175 24.917 43.529 25.078 1.00 0.00 ATOM 1365 CB ILE A 175 23.573 43.300 25.782 1.00 0.00 ATOM 1366 CG1 ILE A 175 23.615 43.897 27.201 1.00 0.00 ATOM 1367 CG2 ILE A 175 23.254 41.799 25.839 1.00 0.00 ATOM 1368 CD1 ILE A 175 22.292 43.840 27.966 1.00 0.00 ATOM 1369 O ILE A 175 24.002 43.426 22.854 1.00 0.00 ATOM 1370 C ILE A 175 24.889 43.042 23.616 1.00 0.00 ATOM 1371 N GLY A 176 25.861 42.184 23.308 1.00 0.00 ATOM 1372 CA GLY A 176 26.081 41.733 21.923 1.00 0.00 ATOM 1373 O GLY A 176 27.109 39.705 22.570 1.00 0.00 ATOM 1374 C GLY A 176 26.559 40.316 21.696 1.00 0.00 ATOM 1375 N ASP A 177 26.440 39.751 20.438 1.00 0.00 ATOM 1376 CA ASP A 177 26.904 38.398 20.286 1.00 0.00 ATOM 1377 CB ASP A 177 25.724 37.557 19.773 1.00 0.00 ATOM 1378 CG ASP A 177 25.400 37.739 18.282 1.00 0.00 ATOM 1379 OD1 ASP A 177 24.991 36.720 17.669 1.00 0.00 ATOM 1380 OD2 ASP A 177 25.766 38.777 17.735 1.00 0.00 ATOM 1381 O ASP A 177 28.449 37.104 18.993 1.00 0.00 ATOM 1382 C ASP A 177 28.089 38.250 19.324 1.00 0.00 ATOM 1383 N THR A 178 28.771 39.352 18.946 1.00 0.00 ATOM 1384 CA THR A 178 29.833 39.326 17.931 1.00 0.00 ATOM 1385 CB THR A 178 29.442 39.864 16.528 1.00 0.00 ATOM 1386 CG2 THR A 178 28.128 39.319 15.949 1.00 0.00 ATOM 1387 OG1 THR A 178 29.464 41.289 16.525 1.00 0.00 ATOM 1388 O THR A 178 31.145 40.928 19.229 1.00 0.00 ATOM 1389 C THR A 178 31.120 40.041 18.378 1.00 0.00 ATOM 1390 N GLU A 179 32.214 39.714 17.690 1.00 0.00 ATOM 1391 CA GLU A 179 33.491 40.464 17.822 1.00 0.00 ATOM 1392 CB GLU A 179 34.560 39.807 16.950 1.00 0.00 ATOM 1393 CG GLU A 179 35.939 40.462 17.038 1.00 0.00 ATOM 1394 CD GLU A 179 36.960 39.813 16.095 1.00 0.00 ATOM 1395 OE1 GLU A 179 36.539 39.098 15.164 1.00 0.00 ATOM 1396 OE2 GLU A 179 38.153 40.158 16.242 1.00 0.00 ATOM 1397 O GLU A 179 33.858 42.815 18.136 1.00 0.00 ATOM 1398 C GLU A 179 33.264 41.937 17.509 1.00 0.00 ATOM 1399 N HIS A 180 32.373 42.244 16.474 1.00 0.00 ATOM 1400 CA HIS A 180 32.067 43.612 16.089 1.00 0.00 ATOM 1401 CB HIS A 180 31.082 43.593 14.923 1.00 0.00 ATOM 1402 CG HIS A 180 31.789 43.204 13.640 1.00 0.00 ATOM 1403 CD2 HIS A 180 31.311 42.306 12.785 1.00 0.00 ATOM 1404 ND1 HIS A 180 32.866 43.807 13.131 1.00 0.00 ATOM 1405 CE1 HIS A 180 32.958 43.333 11.899 1.00 0.00 ATOM 1406 NE2 HIS A 180 32.052 42.386 11.699 1.00 0.00 ATOM 1407 O HIS A 180 32.047 45.479 17.537 1.00 0.00 ATOM 1408 C HIS A 180 31.483 44.434 17.231 1.00 0.00 ATOM 1409 N ASP A 181 30.690 43.745 18.054 1.00 0.00 ATOM 1410 CA ASP A 181 30.121 44.312 19.302 1.00 0.00 ATOM 1411 CB ASP A 181 29.040 43.420 19.907 1.00 0.00 ATOM 1412 CG ASP A 181 27.813 43.365 19.019 1.00 0.00 ATOM 1413 OD1 ASP A 181 27.625 44.376 18.309 1.00 0.00 ATOM 1414 OD2 ASP A 181 27.178 42.305 19.141 1.00 0.00 ATOM 1415 O ASP A 181 31.227 45.546 21.095 1.00 0.00 ATOM 1416 C ASP A 181 31.148 44.531 20.399 1.00 0.00 ATOM 1417 N ILE A 182 32.052 43.578 20.499 1.00 0.00 ATOM 1418 CA ILE A 182 33.140 43.688 21.489 1.00 0.00 ATOM 1419 CB ILE A 182 33.912 42.375 21.641 1.00 0.00 ATOM 1420 CG1 ILE A 182 32.949 41.286 22.146 1.00 0.00 ATOM 1421 CG2 ILE A 182 35.069 42.564 22.626 1.00 0.00 ATOM 1422 CD1 ILE A 182 33.521 39.863 22.063 1.00 0.00 ATOM 1423 O ILE A 182 34.409 45.697 21.955 1.00 0.00 ATOM 1424 C ILE A 182 34.063 44.869 21.123 1.00 0.00 ATOM 1425 N ARG A 183 34.467 44.890 19.859 1.00 0.00 ATOM 1426 CA ARG A 183 35.370 45.926 19.366 1.00 0.00 ATOM 1427 CB ARG A 183 35.773 45.633 17.942 1.00 0.00 ATOM 1428 CG ARG A 183 36.908 46.571 17.531 1.00 0.00 ATOM 1429 CD ARG A 183 37.406 46.261 16.134 1.00 0.00 ATOM 1430 NE ARG A 183 37.637 44.809 16.022 1.00 0.00 ATOM 1431 CZ ARG A 183 36.813 43.977 15.369 1.00 0.00 ATOM 1432 NH1 ARG A 183 35.681 44.394 14.826 1.00 0.00 ATOM 1433 NH2 ARG A 183 37.167 42.737 15.159 1.00 0.00 ATOM 1434 O ARG A 183 35.446 48.268 19.709 1.00 0.00 ATOM 1435 C ARG A 183 34.745 47.322 19.393 1.00 0.00 ATOM 1436 N CYS A 184 33.467 47.406 19.039 1.00 0.00 ATOM 1437 CA CYS A 184 32.751 48.700 19.079 1.00 0.00 ATOM 1438 CB CYS A 184 31.349 48.603 18.497 1.00 0.00 ATOM 1439 SG CYS A 184 30.261 47.514 19.476 1.00 0.00 ATOM 1440 O CYS A 184 32.937 50.424 20.745 1.00 0.00 ATOM 1441 C CYS A 184 32.744 49.228 20.508 1.00 0.00 ATOM 1442 N ALA A 185 32.530 48.322 21.496 1.00 0.00 ATOM 1443 CA ALA A 185 32.501 48.715 22.900 1.00 0.00 ATOM 1444 CB ALA A 185 32.093 47.511 23.754 1.00 0.00 ATOM 1445 O ALA A 185 33.973 50.273 24.017 1.00 0.00 ATOM 1446 C ALA A 185 33.866 49.240 23.335 1.00 0.00 ATOM 1447 N ARG A 186 34.952 48.520 22.946 1.00 0.00 ATOM 1448 CA ARG A 186 36.310 48.930 23.296 1.00 0.00 ATOM 1449 CB ARG A 186 37.285 47.808 22.928 1.00 0.00 ATOM 1450 CG ARG A 186 38.685 48.060 23.504 1.00 0.00 ATOM 1451 CD ARG A 186 39.675 46.916 23.264 1.00 0.00 ATOM 1452 NE ARG A 186 39.203 45.665 23.881 1.00 0.00 ATOM 1453 CZ ARG A 186 38.643 44.643 23.262 1.00 0.00 ATOM 1454 NH1 ARG A 186 38.504 44.675 21.971 1.00 0.00 ATOM 1455 NH2 ARG A 186 38.216 43.578 23.893 1.00 0.00 ATOM 1456 O ARG A 186 37.287 51.122 23.247 1.00 0.00 ATOM 1457 C ARG A 186 36.707 50.248 22.613 1.00 0.00 ATOM 1458 N GLU A 187 36.311 50.388 21.352 1.00 0.00 ATOM 1459 CA GLU A 187 36.604 51.599 20.574 1.00 0.00 ATOM 1460 CB GLU A 187 36.164 51.359 19.129 1.00 0.00 ATOM 1461 CG GLU A 187 36.918 52.273 18.160 1.00 0.00 ATOM 1462 CD GLU A 187 38.445 52.104 18.213 1.00 0.00 ATOM 1463 OE1 GLU A 187 39.077 53.001 17.639 1.00 0.00 ATOM 1464 OE2 GLU A 187 38.988 51.113 18.776 1.00 0.00 ATOM 1465 O GLU A 187 36.494 53.881 21.254 1.00 0.00 ATOM 1466 C GLU A 187 35.926 52.790 21.224 1.00 0.00 ATOM 1467 N LEU A 188 34.700 52.543 21.774 1.00 0.00 ATOM 1468 CA LEU A 188 33.891 53.637 22.308 1.00 0.00 ATOM 1469 CB LEU A 188 32.427 53.282 22.022 1.00 0.00 ATOM 1470 CG LEU A 188 32.050 53.753 20.620 1.00 0.00 ATOM 1471 CD1 LEU A 188 30.643 53.304 20.246 1.00 0.00 ATOM 1472 CD2 LEU A 188 32.217 55.268 20.473 1.00 0.00 ATOM 1473 O LEU A 188 33.315 54.670 24.389 1.00 0.00 ATOM 1474 C LEU A 188 33.941 53.771 23.823 1.00 0.00 ATOM 1475 N ASP A 189 34.642 52.919 24.496 1.00 0.00 ATOM 1476 CA ASP A 189 34.873 52.987 25.941 1.00 0.00 ATOM 1477 CB ASP A 189 35.222 54.354 26.517 1.00 0.00 ATOM 1478 CG ASP A 189 36.494 54.940 25.929 1.00 0.00 ATOM 1479 OD1 ASP A 189 37.525 54.233 26.016 1.00 0.00 ATOM 1480 OD2 ASP A 189 36.373 56.138 25.607 1.00 0.00 ATOM 1481 O ASP A 189 33.800 52.385 28.019 1.00 0.00 ATOM 1482 C ASP A 189 33.698 52.479 26.801 1.00 0.00 ATOM 1483 N ALA A 190 32.594 52.117 26.164 1.00 0.00 ATOM 1484 CA ALA A 190 31.457 51.507 26.885 1.00 0.00 ATOM 1485 CB ALA A 190 30.295 51.371 25.927 1.00 0.00 ATOM 1486 O ALA A 190 32.628 49.434 26.813 1.00 0.00 ATOM 1487 C ALA A 190 31.737 50.088 27.333 1.00 0.00 ATOM 1488 N ARG A 191 30.925 49.570 28.277 1.00 0.00 ATOM 1489 CA ARG A 191 31.120 48.205 28.756 1.00 0.00 ATOM 1490 CB ARG A 191 30.424 47.970 30.081 1.00 0.00 ATOM 1491 CG ARG A 191 31.131 48.729 31.198 1.00 0.00 ATOM 1492 CD ARG A 191 30.506 48.297 32.509 1.00 0.00 ATOM 1493 NE ARG A 191 31.032 49.097 33.610 1.00 0.00 ATOM 1494 CZ ARG A 191 30.587 49.012 34.869 1.00 0.00 ATOM 1495 NH1 ARG A 191 31.120 49.713 35.851 1.00 0.00 ATOM 1496 NH2 ARG A 191 29.616 48.181 35.190 1.00 0.00 ATOM 1497 O ARG A 191 29.712 47.568 26.931 1.00 0.00 ATOM 1498 C ARG A 191 30.580 47.206 27.736 1.00 0.00 ATOM 1499 N SER A 192 31.117 46.031 27.754 1.00 0.00 ATOM 1500 CA SER A 192 30.657 44.987 26.811 1.00 0.00 ATOM 1501 CB SER A 192 31.758 44.666 25.811 1.00 0.00 ATOM 1502 OG SER A 192 31.360 43.793 24.759 1.00 0.00 ATOM 1503 O SER A 192 30.884 43.269 28.492 1.00 0.00 ATOM 1504 C SER A 192 30.250 43.710 27.538 1.00 0.00 ATOM 1505 N ILE A 193 29.077 43.291 27.123 1.00 0.00 ATOM 1506 CA ILE A 193 28.468 42.064 27.608 1.00 0.00 ATOM 1507 CB ILE A 193 27.101 42.406 28.192 1.00 0.00 ATOM 1508 CG1 ILE A 193 27.135 43.393 29.377 1.00 0.00 ATOM 1509 CG2 ILE A 193 26.520 41.056 28.537 1.00 0.00 ATOM 1510 CD1 ILE A 193 25.794 43.729 30.031 1.00 0.00 ATOM 1511 O ILE A 193 27.416 41.237 25.610 1.00 0.00 ATOM 1512 C ILE A 193 28.351 41.119 26.399 1.00 0.00 ATOM 1513 N ALA A 194 29.044 39.997 26.556 1.00 0.00 ATOM 1514 CA ALA A 194 29.001 38.946 25.533 1.00 0.00 ATOM 1515 CB ALA A 194 30.330 38.207 25.429 1.00 0.00 ATOM 1516 O ALA A 194 27.709 37.459 26.943 1.00 0.00 ATOM 1517 C ALA A 194 27.881 37.950 25.829 1.00 0.00 ATOM 1518 N VAL A 195 27.117 37.681 24.786 1.00 0.00 ATOM 1519 CA VAL A 195 26.019 36.710 24.879 1.00 0.00 ATOM 1520 CB VAL A 195 24.675 37.358 24.488 1.00 0.00 ATOM 1521 CG1 VAL A 195 23.510 36.359 24.555 1.00 0.00 ATOM 1522 CG2 VAL A 195 24.400 38.521 25.423 1.00 0.00 ATOM 1523 O VAL A 195 26.710 35.602 22.853 1.00 0.00 ATOM 1524 C VAL A 195 26.299 35.490 24.001 1.00 0.00 ATOM 1525 N ALA A 196 25.904 34.354 24.552 1.00 0.00 ATOM 1526 CA ALA A 196 26.200 33.045 23.934 1.00 0.00 ATOM 1527 CB ALA A 196 26.845 32.244 25.030 1.00 0.00 ATOM 1528 O ALA A 196 25.172 31.295 22.635 1.00 0.00 ATOM 1529 C ALA A 196 24.993 32.352 23.262 1.00 0.00 ATOM 1530 N THR A 197 23.767 32.854 23.500 1.00 0.00 ATOM 1531 CA THR A 197 22.596 32.172 22.938 1.00 0.00 ATOM 1532 CB THR A 197 21.431 32.842 24.182 1.00 0.00 ATOM 1533 CG2 THR A 197 20.926 34.121 23.420 1.00 0.00 ATOM 1534 OG1 THR A 197 20.284 32.037 24.499 1.00 0.00 ATOM 1535 O THR A 197 21.515 31.965 20.783 1.00 0.00 ATOM 1536 C THR A 197 22.471 32.411 21.428 1.00 0.00 ATOM 1537 N GLY A 198 23.400 33.199 20.928 1.00 0.00 ATOM 1538 CA GLY A 198 23.276 33.730 19.584 1.00 0.00 ATOM 1539 O GLY A 198 24.508 31.803 18.704 1.00 0.00 ATOM 1540 C GLY A 198 24.171 32.986 18.640 1.00 0.00 ATOM 1541 N ASN A 199 24.587 33.925 17.696 1.00 0.00 ATOM 1542 CA ASN A 199 25.180 33.434 16.466 1.00 0.00 ATOM 1543 CB ASN A 199 25.044 34.535 15.560 1.00 0.00 ATOM 1544 CG ASN A 199 23.623 34.791 15.058 1.00 0.00 ATOM 1545 ND2 ASN A 199 23.470 35.798 14.249 1.00 0.00 ATOM 1546 OD1 ASN A 199 22.695 34.062 15.422 1.00 0.00 ATOM 1547 O ASN A 199 27.198 32.276 15.934 1.00 0.00 ATOM 1548 C ASN A 199 26.643 33.080 16.671 1.00 0.00 ATOM 1549 N PHE A 200 27.284 33.738 17.593 1.00 0.00 ATOM 1550 CA PHE A 200 28.724 33.619 17.730 1.00 0.00 ATOM 1551 CB PHE A 200 29.678 34.783 17.900 1.00 0.00 ATOM 1552 CG PHE A 200 30.152 35.157 16.516 1.00 0.00 ATOM 1553 CD1 PHE A 200 30.898 34.313 15.711 1.00 0.00 ATOM 1554 CD2 PHE A 200 29.844 36.421 16.106 1.00 0.00 ATOM 1555 CE1 PHE A 200 31.337 34.766 14.480 1.00 0.00 ATOM 1556 CE2 PHE A 200 30.304 36.887 14.897 1.00 0.00 ATOM 1557 CZ PHE A 200 31.053 36.058 14.066 1.00 0.00 ATOM 1558 O PHE A 200 28.124 32.220 19.592 1.00 0.00 ATOM 1559 C PHE A 200 28.985 32.610 18.820 1.00 0.00 ATOM 1560 N THR A 201 30.177 32.043 18.647 1.00 0.00 ATOM 1561 CA THR A 201 30.700 31.044 19.571 1.00 0.00 ATOM 1562 CB THR A 201 31.741 30.158 18.896 1.00 0.00 ATOM 1563 CG2 THR A 201 32.171 28.950 19.740 1.00 0.00 ATOM 1564 OG1 THR A 201 31.119 29.716 17.695 1.00 0.00 ATOM 1565 O THR A 201 32.127 32.667 20.621 1.00 0.00 ATOM 1566 C THR A 201 31.322 31.753 20.758 1.00 0.00 ATOM 1567 N MET A 202 31.077 31.124 21.895 1.00 0.00 ATOM 1568 CA MET A 202 31.602 31.548 23.189 1.00 0.00 ATOM 1569 CB MET A 202 31.210 30.485 24.198 1.00 0.00 ATOM 1570 CG MET A 202 29.742 30.595 24.559 1.00 0.00 ATOM 1571 SD MET A 202 29.340 29.426 25.898 1.00 0.00 ATOM 1572 CE MET A 202 30.205 30.052 27.323 1.00 0.00 ATOM 1573 O MET A 202 33.705 32.520 23.781 1.00 0.00 ATOM 1574 C MET A 202 33.128 31.603 23.212 1.00 0.00 ATOM 1575 N GLU A 203 33.795 30.601 22.596 1.00 0.00 ATOM 1576 CA GLU A 203 35.250 30.576 22.569 1.00 0.00 ATOM 1577 CB GLU A 203 35.649 29.337 21.767 1.00 0.00 ATOM 1578 CG GLU A 203 37.165 29.180 21.629 1.00 0.00 ATOM 1579 CD GLU A 203 37.595 27.975 20.782 1.00 0.00 ATOM 1580 OE1 GLU A 203 36.709 27.224 20.317 1.00 0.00 ATOM 1581 OE2 GLU A 203 38.821 27.822 20.597 1.00 0.00 ATOM 1582 O GLU A 203 36.701 32.473 22.367 1.00 0.00 ATOM 1583 C GLU A 203 35.764 31.841 21.886 1.00 0.00 ATOM 1584 N GLU A 204 35.138 32.222 20.756 1.00 0.00 ATOM 1585 CA GLU A 204 35.530 33.422 20.024 1.00 0.00 ATOM 1586 CB GLU A 204 34.653 33.525 18.764 1.00 0.00 ATOM 1587 CG GLU A 204 35.002 32.485 17.697 1.00 0.00 ATOM 1588 CD GLU A 204 36.432 32.645 17.181 1.00 0.00 ATOM 1589 OE1 GLU A 204 36.779 33.759 16.719 1.00 0.00 ATOM 1590 OE2 GLU A 204 37.165 31.645 17.252 1.00 0.00 ATOM 1591 O GLU A 204 36.186 35.551 20.961 1.00 0.00 ATOM 1592 C GLU A 204 35.301 34.687 20.849 1.00 0.00 ATOM 1593 N LEU A 205 34.185 34.672 21.575 1.00 0.00 ATOM 1594 CA LEU A 205 33.766 35.806 22.421 1.00 0.00 ATOM 1595 CB LEU A 205 32.350 35.600 22.959 1.00 0.00 ATOM 1596 CG LEU A 205 31.252 35.656 21.884 1.00 0.00 ATOM 1597 CD1 LEU A 205 29.928 35.261 22.527 1.00 0.00 ATOM 1598 CD2 LEU A 205 31.112 37.047 21.267 1.00 0.00 ATOM 1599 O LEU A 205 35.174 37.115 23.849 1.00 0.00 ATOM 1600 C LEU A 205 34.730 35.999 23.590 1.00 0.00 ATOM 1601 N ALA A 206 35.072 34.917 24.283 1.00 0.00 ATOM 1602 CA ALA A 206 35.992 34.981 25.419 1.00 0.00 ATOM 1603 CB ALA A 206 36.049 33.595 26.061 1.00 0.00 ATOM 1604 O ALA A 206 38.031 36.148 25.855 1.00 0.00 ATOM 1605 C ALA A 206 37.362 35.511 25.012 1.00 0.00 ATOM 1606 N ARG A 207 37.801 35.277 23.778 1.00 0.00 ATOM 1607 CA ARG A 207 39.147 35.730 23.341 1.00 0.00 ATOM 1608 CB ARG A 207 39.434 35.223 21.938 1.00 0.00 ATOM 1609 CG ARG A 207 39.571 33.720 21.922 1.00 0.00 ATOM 1610 CD ARG A 207 39.946 33.361 20.495 1.00 0.00 ATOM 1611 NE ARG A 207 39.989 31.907 20.332 1.00 0.00 ATOM 1612 CZ ARG A 207 40.078 31.322 19.146 1.00 0.00 ATOM 1613 NH1 ARG A 207 40.111 30.017 19.063 1.00 0.00 ATOM 1614 NH2 ARG A 207 39.980 31.977 18.011 1.00 0.00 ATOM 1615 O ARG A 207 40.451 37.744 23.335 1.00 0.00 ATOM 1616 C ARG A 207 39.323 37.246 23.331 1.00 0.00 ATOM 1617 N HIS A 208 38.205 37.946 23.425 1.00 0.00 ATOM 1618 CA HIS A 208 38.205 39.410 23.423 1.00 0.00 ATOM 1619 CB HIS A 208 37.265 39.888 22.321 1.00 0.00 ATOM 1620 CG HIS A 208 37.893 39.657 20.952 1.00 0.00 ATOM 1621 CD2 HIS A 208 37.371 38.975 19.931 1.00 0.00 ATOM 1622 ND1 HIS A 208 39.068 40.142 20.567 1.00 0.00 ATOM 1623 CE1 HIS A 208 39.271 39.778 19.299 1.00 0.00 ATOM 1624 NE2 HIS A 208 38.226 39.049 18.917 1.00 0.00 ATOM 1625 O HIS A 208 37.811 41.257 24.910 1.00 0.00 ATOM 1626 C HIS A 208 37.930 40.044 24.798 1.00 0.00 ATOM 1627 N LYS A 209 38.015 39.237 25.857 1.00 0.00 ATOM 1628 CA LYS A 209 37.920 39.687 27.266 1.00 0.00 ATOM 1629 CB LYS A 209 39.206 40.427 27.674 1.00 0.00 ATOM 1630 CG LYS A 209 40.543 39.699 27.489 1.00 0.00 ATOM 1631 CD LYS A 209 41.689 40.610 27.928 1.00 0.00 ATOM 1632 CE LYS A 209 42.998 39.844 27.935 1.00 0.00 ATOM 1633 NZ LYS A 209 44.138 40.710 28.222 1.00 0.00 ATOM 1634 O LYS A 209 36.800 41.690 28.013 1.00 0.00 ATOM 1635 C LYS A 209 36.683 40.537 27.590 1.00 0.00 ATOM 1636 N PRO A 210 35.431 39.989 27.450 1.00 0.00 ATOM 1637 CA PRO A 210 34.233 40.785 27.754 1.00 0.00 ATOM 1638 CB PRO A 210 33.109 39.753 27.645 1.00 0.00 ATOM 1639 CG PRO A 210 33.621 38.670 26.688 1.00 0.00 ATOM 1640 CD PRO A 210 35.116 38.611 27.040 1.00 0.00 ATOM 1641 O PRO A 210 34.591 40.529 30.120 1.00 0.00 ATOM 1642 C PRO A 210 34.103 41.214 29.219 1.00 0.00 ATOM 1643 N GLY A 211 33.416 42.371 29.425 1.00 0.00 ATOM 1644 CA GLY A 211 33.241 42.861 30.783 1.00 0.00 ATOM 1645 O GLY A 211 32.756 41.514 32.725 1.00 0.00 ATOM 1646 C GLY A 211 32.442 41.855 31.588 1.00 0.00 ATOM 1647 N THR A 212 31.383 41.385 30.920 1.00 0.00 ATOM 1648 CA THR A 212 30.475 40.361 31.450 1.00 0.00 ATOM 1649 CB THR A 212 29.325 41.004 32.242 1.00 0.00 ATOM 1650 CG2 THR A 212 29.787 42.030 33.279 1.00 0.00 ATOM 1651 OG1 THR A 212 28.480 41.706 31.343 1.00 0.00 ATOM 1652 O THR A 212 30.146 39.736 29.133 1.00 0.00 ATOM 1653 C THR A 212 29.984 39.446 30.319 1.00 0.00 ATOM 1654 N LEU A 213 29.492 38.265 30.703 1.00 0.00 ATOM 1655 CA LEU A 213 29.036 37.229 29.763 1.00 0.00 ATOM 1656 CB LEU A 213 30.172 36.210 29.577 1.00 0.00 ATOM 1657 CG LEU A 213 29.842 35.024 28.687 1.00 0.00 ATOM 1658 CD1 LEU A 213 29.782 35.437 27.220 1.00 0.00 ATOM 1659 CD2 LEU A 213 30.921 33.987 28.920 1.00 0.00 ATOM 1660 O LEU A 213 27.748 36.098 31.430 1.00 0.00 ATOM 1661 C LEU A 213 27.777 36.531 30.273 1.00 0.00 ATOM 1662 N PHE A 214 26.880 36.262 29.346 1.00 0.00 ATOM 1663 CA PHE A 214 25.615 35.576 29.656 1.00 0.00 ATOM 1664 CB PHE A 214 24.435 36.538 29.782 1.00 0.00 ATOM 1665 CG PHE A 214 24.758 37.665 30.753 1.00 0.00 ATOM 1666 CD1 PHE A 214 24.830 37.448 32.122 1.00 0.00 ATOM 1667 CD2 PHE A 214 25.004 38.925 30.266 1.00 0.00 ATOM 1668 CE1 PHE A 214 25.151 38.480 32.974 1.00 0.00 ATOM 1669 CE2 PHE A 214 25.305 39.961 31.129 1.00 0.00 ATOM 1670 CZ PHE A 214 25.403 39.753 32.482 1.00 0.00 ATOM 1671 O PHE A 214 25.194 34.772 27.405 1.00 0.00 ATOM 1672 C PHE A 214 25.235 34.537 28.610 1.00 0.00 ATOM 1673 N LYS A 215 24.937 33.368 29.141 1.00 0.00 ATOM 1674 CA LYS A 215 24.374 32.247 28.369 1.00 0.00 ATOM 1675 CB LYS A 215 24.409 30.944 29.028 1.00 0.00 ATOM 1676 CG LYS A 215 23.801 29.837 28.176 1.00 0.00 ATOM 1677 CD LYS A 215 24.717 29.442 27.018 1.00 0.00 ATOM 1678 CE LYS A 215 24.378 28.042 26.516 1.00 0.00 ATOM 1679 NZ LYS A 215 25.279 27.575 25.429 1.00 0.00 ATOM 1680 O LYS A 215 22.407 32.256 27.004 1.00 0.00 ATOM 1681 C LYS A 215 22.900 32.503 28.104 1.00 0.00 ATOM 1682 N ASN A 216 22.164 32.968 29.143 1.00 0.00 ATOM 1683 CA ASN A 216 20.740 33.250 29.030 1.00 0.00 ATOM 1684 CB ASN A 216 20.225 32.448 30.223 1.00 0.00 ATOM 1685 CG ASN A 216 18.756 32.657 30.486 1.00 0.00 ATOM 1686 ND2 ASN A 216 18.014 31.652 30.166 1.00 0.00 ATOM 1687 OD1 ASN A 216 18.290 33.738 30.849 1.00 0.00 ATOM 1688 O ASN A 216 20.985 35.431 30.029 1.00 0.00 ATOM 1689 C ASN A 216 20.400 34.720 29.230 1.00 0.00 ATOM 1690 N PHE A 217 19.340 35.213 28.537 1.00 0.00 ATOM 1691 CA PHE A 217 19.037 36.622 28.467 1.00 0.00 ATOM 1692 CB PHE A 217 17.761 36.860 27.696 1.00 0.00 ATOM 1693 CG PHE A 217 18.002 37.083 26.234 1.00 0.00 ATOM 1694 CD1 PHE A 217 17.664 35.994 25.465 1.00 0.00 ATOM 1695 CD2 PHE A 217 18.512 38.257 25.700 1.00 0.00 ATOM 1696 CE1 PHE A 217 17.825 36.064 24.116 1.00 0.00 ATOM 1697 CE2 PHE A 217 18.702 38.322 24.331 1.00 0.00 ATOM 1698 CZ PHE A 217 18.344 37.204 23.587 1.00 0.00 ATOM 1699 O PHE A 217 19.271 38.206 30.249 1.00 0.00 ATOM 1700 C PHE A 217 18.767 37.152 29.871 1.00 0.00 ATOM 1701 N ALA A 218 17.954 36.429 30.675 1.00 0.00 ATOM 1702 CA ALA A 218 17.615 36.849 32.031 1.00 0.00 ATOM 1703 CB ALA A 218 16.434 36.045 32.564 1.00 0.00 ATOM 1704 O ALA A 218 18.888 37.564 33.923 1.00 0.00 ATOM 1705 C ALA A 218 18.813 36.775 32.983 1.00 0.00 ATOM 1706 N GLU A 219 19.835 35.988 32.623 1.00 0.00 ATOM 1707 CA GLU A 219 21.120 35.991 33.353 1.00 0.00 ATOM 1708 CB GLU A 219 22.107 35.002 32.742 1.00 0.00 ATOM 1709 CG GLU A 219 21.808 33.531 33.030 1.00 0.00 ATOM 1710 CD GLU A 219 22.765 32.576 32.284 1.00 0.00 ATOM 1711 OE1 GLU A 219 23.570 33.087 31.487 1.00 0.00 ATOM 1712 OE2 GLU A 219 22.592 31.342 32.349 1.00 0.00 ATOM 1713 O GLU A 219 22.444 37.761 34.323 1.00 0.00 ATOM 1714 C GLU A 219 21.796 37.368 33.348 1.00 0.00 ATOM 1715 N THR A 220 21.534 38.141 32.296 1.00 0.00 ATOM 1716 CA THR A 220 22.062 39.511 32.118 1.00 0.00 ATOM 1717 CB THR A 220 21.603 40.129 30.791 1.00 0.00 ATOM 1718 CG2 THR A 220 22.173 41.538 30.599 1.00 0.00 ATOM 1719 OG1 THR A 220 22.043 39.348 29.683 1.00 0.00 ATOM 1720 O THR A 220 22.481 41.246 33.742 1.00 0.00 ATOM 1721 C THR A 220 21.672 40.441 33.277 1.00 0.00 ATOM 1722 N ASP A 221 20.458 40.219 33.770 1.00 0.00 ATOM 1723 CA ASP A 221 19.835 41.118 34.757 1.00 0.00 ATOM 1724 CB ASP A 221 18.371 40.672 35.022 1.00 0.00 ATOM 1725 CG ASP A 221 17.420 40.938 33.859 1.00 0.00 ATOM 1726 OD1 ASP A 221 17.820 41.587 32.871 1.00 0.00 ATOM 1727 OD2 ASP A 221 16.252 40.500 33.942 1.00 0.00 ATOM 1728 O ASP A 221 20.702 42.218 36.697 1.00 0.00 ATOM 1729 C ASP A 221 20.554 41.149 36.098 1.00 0.00 ATOM 1730 N GLU A 222 21.088 39.998 36.474 1.00 0.00 ATOM 1731 CA GLU A 222 21.797 39.825 37.759 1.00 0.00 ATOM 1732 CB GLU A 222 22.180 38.360 37.990 1.00 0.00 ATOM 1733 CG GLU A 222 20.965 37.453 38.175 1.00 0.00 ATOM 1734 CD GLU A 222 21.373 35.992 38.422 1.00 0.00 ATOM 1735 OE1 GLU A 222 22.577 35.690 38.349 1.00 0.00 ATOM 1736 OE2 GLU A 222 20.477 35.238 38.836 1.00 0.00 ATOM 1737 O GLU A 222 23.300 41.418 38.749 1.00 0.00 ATOM 1738 C GLU A 222 23.089 40.643 37.821 1.00 0.00 ATOM 1739 N VAL A 223 23.880 40.568 36.751 1.00 0.00 ATOM 1740 CA VAL A 223 25.127 41.347 36.684 1.00 0.00 ATOM 1741 CB VAL A 223 25.972 40.941 35.476 1.00 0.00 ATOM 1742 CG1 VAL A 223 27.104 41.909 35.198 1.00 0.00 ATOM 1743 CG2 VAL A 223 26.612 39.564 35.674 1.00 0.00 ATOM 1744 O VAL A 223 25.486 43.643 37.357 1.00 0.00 ATOM 1745 C VAL A 223 24.840 42.861 36.690 1.00 0.00 ATOM 1746 N LEU A 224 23.852 43.283 35.927 1.00 0.00 ATOM 1747 CA LEU A 224 23.514 44.707 35.897 1.00 0.00 ATOM 1748 CB LEU A 224 22.432 44.931 34.847 1.00 0.00 ATOM 1749 CG LEU A 224 22.065 46.409 34.706 1.00 0.00 ATOM 1750 CD1 LEU A 224 23.240 47.125 34.090 1.00 0.00 ATOM 1751 CD2 LEU A 224 20.909 46.671 33.746 1.00 0.00 ATOM 1752 O LEU A 224 23.437 46.196 37.786 1.00 0.00 ATOM 1753 C LEU A 224 23.045 45.145 37.285 1.00 0.00 ATOM 1754 N ALA A 225 22.131 44.367 37.895 1.00 0.00 ATOM 1755 CA ALA A 225 21.559 44.718 39.183 1.00 0.00 ATOM 1756 CB ALA A 225 20.637 43.559 39.546 1.00 0.00 ATOM 1757 O ALA A 225 22.647 45.816 41.022 1.00 0.00 ATOM 1758 C ALA A 225 22.646 44.861 40.245 1.00 0.00 ATOM 1759 N SER A 226 23.578 43.898 40.288 1.00 0.00 ATOM 1760 CA SER A 226 24.663 43.919 41.260 1.00 0.00 ATOM 1761 CB SER A 226 25.479 42.635 41.177 1.00 0.00 ATOM 1762 OG SER A 226 24.697 41.509 41.574 1.00 0.00 ATOM 1763 O SER A 226 25.918 45.799 42.068 1.00 0.00 ATOM 1764 C SER A 226 25.536 45.160 41.085 1.00 0.00 ATOM 1765 N ILE A 227 25.863 45.510 39.834 1.00 0.00 ATOM 1766 CA ILE A 227 26.699 46.676 39.562 1.00 0.00 ATOM 1767 CB ILE A 227 27.042 46.795 38.057 1.00 0.00 ATOM 1768 CG1 ILE A 227 27.862 45.597 37.574 1.00 0.00 ATOM 1769 CG2 ILE A 227 27.893 48.056 37.821 1.00 0.00 ATOM 1770 CD1 ILE A 227 27.952 45.434 36.056 1.00 0.00 ATOM 1771 O ILE A 227 26.654 48.899 40.468 1.00 0.00 ATOM 1772 C ILE A 227 26.004 47.984 39.967 1.00 0.00 ATOM 1773 N LEU A 228 24.623 48.005 39.737 1.00 0.00 ATOM 1774 CA LEU A 228 23.894 49.234 40.052 1.00 0.00 ATOM 1775 CB LEU A 228 22.476 49.140 39.482 1.00 0.00 ATOM 1776 CG LEU A 228 21.559 50.342 39.680 1.00 0.00 ATOM 1777 CD1 LEU A 228 22.080 51.672 39.198 1.00 0.00 ATOM 1778 CD2 LEU A 228 20.301 50.078 38.870 1.00 0.00 ATOM 1779 O LEU A 228 23.414 48.559 42.263 1.00 0.00 ATOM 1780 C LEU A 228 23.834 49.457 41.549 1.00 0.00 ATOM 1781 N THR A 229 24.242 50.644 41.971 1.00 0.00 ATOM 1782 CA THR A 229 24.126 51.026 43.384 1.00 0.00 ATOM 1783 CB THR A 229 25.344 51.730 44.017 1.00 0.00 ATOM 1784 CG2 THR A 229 26.677 51.352 43.368 1.00 0.00 ATOM 1785 OG1 THR A 229 25.227 53.149 44.070 1.00 0.00 ATOM 1786 O THR A 229 22.277 52.385 42.704 1.00 0.00 ATOM 1787 C THR A 229 22.832 51.789 43.623 1.00 0.00 ATOM 1788 N PRO A 230 22.298 51.796 44.891 1.00 0.00 ATOM 1789 CA PRO A 230 21.059 52.507 45.214 1.00 0.00 ATOM 1790 CB PRO A 230 20.890 52.244 46.710 1.00 0.00 ATOM 1791 CG PRO A 230 21.556 50.916 46.905 1.00 0.00 ATOM 1792 CD PRO A 230 22.796 51.041 46.057 1.00 0.00 ATOM 1793 O PRO A 230 20.180 54.684 44.754 1.00 0.00 ATOM 1794 C PRO A 230 21.164 54.014 45.013 1.00 0.00 ATOM 1795 N LYS A 231 22.364 54.574 45.118 1.00 0.00 ATOM 1796 CA LYS A 231 22.557 56.030 44.924 1.00 0.00 ATOM 1797 CB LYS A 231 23.724 56.522 45.755 1.00 0.00 ATOM 1798 CG LYS A 231 23.337 56.373 47.202 1.00 0.00 ATOM 1799 CD LYS A 231 24.496 56.850 48.024 1.00 0.00 ATOM 1800 CE LYS A 231 24.045 56.618 49.430 1.00 0.00 ATOM 1801 NZ LYS A 231 25.097 57.186 50.218 1.00 0.00 ATOM 1802 O LYS A 231 23.139 57.634 43.224 1.00 0.00 ATOM 1803 C LYS A 231 22.792 56.477 43.479 1.00 0.00 ATOM 1804 N HIS A 232 22.663 55.515 42.577 1.00 0.00 ATOM 1805 CA HIS A 232 22.880 55.754 41.132 1.00 0.00 ATOM 1806 CB HIS A 232 24.287 55.277 40.749 1.00 0.00 ATOM 1807 CG HIS A 232 25.411 55.893 41.585 1.00 0.00 ATOM 1808 CD2 HIS A 232 26.159 55.291 42.489 1.00 0.00 ATOM 1809 ND1 HIS A 232 25.850 57.152 41.522 1.00 0.00 ATOM 1810 CE1 HIS A 232 26.816 57.312 42.421 1.00 0.00 ATOM 1811 NE2 HIS A 232 27.014 56.142 43.028 1.00 0.00 ATOM 1812 O HIS A 232 21.371 53.959 40.748 1.00 0.00 ATOM 1813 C HIS A 232 21.877 54.986 40.309 1.00 0.00 ATOM 1814 N SER A 233 21.553 55.439 39.058 1.00 0.00 ATOM 1815 CA SER A 233 20.634 54.729 38.190 1.00 0.00 ATOM 1816 CB SER A 233 19.749 55.659 37.374 1.00 0.00 ATOM 1817 OG SER A 233 20.513 56.543 36.567 1.00 0.00 ATOM 1818 O SER A 233 22.715 53.896 37.405 1.00 0.00 ATOM 1819 C SER A 233 21.483 53.944 37.178 1.00 0.00 ENDMDL EXPDTA 2hcfA MODEL 2 REMARK 44 REMARK 44 model 2 is called 2hcfA ATOM 1 N SER 2 24.809 57.936 37.335 1.00 0.00 ATOM 2 CA SER 2 23.458 57.332 37.547 1.00 0.00 ATOM 3 CB SER 2 22.610 58.220 38.465 1.00 0.00 ATOM 4 OG SER 2 21.280 57.720 38.543 1.00 0.00 ATOM 5 O SER 2 22.277 55.871 36.037 1.00 0.00 ATOM 6 C SER 2 22.694 57.013 36.235 1.00 0.00 ATOM 7 N ARG 3 22.504 57.987 35.341 1.00 0.00 ATOM 8 CA ARG 3 21.782 57.711 34.095 1.00 0.00 ATOM 9 CB ARG 3 21.473 58.995 33.320 1.00 0.00 ATOM 10 CG ARG 3 20.313 59.816 33.899 1.00 0.00 ATOM 11 CD ARG 3 19.816 60.890 32.923 1.00 0.00 ATOM 12 NE ARG 3 20.508 62.175 33.066 1.00 0.00 ATOM 13 CZ ARG 3 20.347 63.223 32.247 1.00 0.00 ATOM 14 NH1 ARG 3 19.529 63.155 31.204 1.00 0.00 ATOM 15 NH2 ARG 3 21.017 64.351 32.461 1.00 0.00 ATOM 16 O ARG 3 23.770 57.091 32.947 1.00 0.00 ATOM 17 C ARG 3 22.613 56.773 33.224 1.00 0.00 ATOM 18 N THR 4 22.024 55.633 32.815 1.00 0.00 ATOM 19 CA THR 4 22.713 54.600 32.002 1.00 0.00 ATOM 20 CB THR 4 22.634 53.248 32.687 1.00 0.00 ATOM 21 CG2 THR 4 23.242 52.135 31.831 1.00 0.00 ATOM 22 OG1 THR 4 23.376 53.323 33.908 1.00 0.00 ATOM 23 O THR 4 20.946 54.476 30.370 1.00 0.00 ATOM 24 C THR 4 22.158 54.465 30.581 1.00 0.00 ATOM 25 N LEU 5 23.085 54.346 29.632 1.00 0.00 ATOM 26 CA LEU 5 22.796 54.183 28.214 1.00 0.00 ATOM 27 CB LEU 5 23.706 55.090 27.360 1.00 0.00 ATOM 28 CG LEU 5 23.617 54.894 25.837 1.00 0.00 ATOM 29 CD1 LEU 5 22.212 55.120 25.366 1.00 0.00 ATOM 30 CD2 LEU 5 24.542 55.765 25.033 1.00 0.00 ATOM 31 O LEU 5 24.148 52.197 28.036 1.00 0.00 ATOM 32 C LEU 5 23.034 52.711 27.871 1.00 0.00 ATOM 33 N VAL 6 21.982 52.043 27.414 1.00 0.00 ATOM 34 CA VAL 6 22.063 50.643 27.094 1.00 0.00 ATOM 35 CB VAL 6 21.110 49.820 27.994 1.00 0.00 ATOM 36 CG1 VAL 6 21.386 48.340 27.813 1.00 0.00 ATOM 37 CG2 VAL 6 21.283 50.214 29.455 1.00 0.00 ATOM 38 O VAL 6 20.586 50.604 25.172 1.00 0.00 ATOM 39 C VAL 6 21.721 50.391 25.610 1.00 0.00 ATOM 40 N LEU 7 22.697 49.860 24.890 1.00 0.00 ATOM 41 CA LEU 7 22.613 49.676 23.445 1.00 0.00 ATOM 42 CB LEU 7 23.764 50.428 22.764 1.00 0.00 ATOM 43 CG LEU 7 23.840 51.940 22.998 1.00 0.00 ATOM 44 CD1 LEU 7 25.136 52.475 22.428 1.00 0.00 ATOM 45 CD2 LEU 7 22.652 52.668 22.400 1.00 0.00 ATOM 46 O LEU 7 23.547 47.455 23.500 1.00 0.00 ATOM 47 C LEU 7 22.640 48.182 23.110 1.00 0.00 ATOM 48 N PHE 8 21.633 47.743 22.373 1.00 0.00 ATOM 49 CA PHE 8 21.404 46.341 22.028 1.00 0.00 ATOM 50 CB PHE 8 19.957 45.950 22.336 1.00 0.00 ATOM 51 CG PHE 8 19.689 45.578 23.784 1.00 0.00 ATOM 52 CD1 PHE 8 19.854 44.263 24.213 1.00 0.00 ATOM 53 CD2 PHE 8 19.174 46.512 24.689 1.00 0.00 ATOM 54 CE1 PHE 8 19.577 43.906 25.525 1.00 0.00 ATOM 55 CE2 PHE 8 18.903 46.164 25.989 1.00 0.00 ATOM 56 CZ PHE 8 19.106 44.851 26.407 1.00 0.00 ATOM 57 O PHE 8 20.994 46.872 19.690 1.00 0.00 ATOM 58 C PHE 8 21.568 46.118 20.534 1.00 0.00 ATOM 59 N ASP 9 22.345 45.087 20.220 1.00 0.00 ATOM 60 CA ASP 9 22.317 44.388 18.927 1.00 0.00 ATOM 61 CB ASP 9 23.473 43.401 18.936 1.00 0.00 ATOM 62 CG ASP 9 23.576 42.609 17.648 1.00 0.00 ATOM 63 OD1 ASP 9 23.784 43.270 16.611 1.00 0.00 ATOM 64 OD2 ASP 9 23.483 41.350 17.701 1.00 0.00 ATOM 65 O ASP 9 20.342 43.348 19.706 1.00 0.00 ATOM 66 C ASP 9 20.993 43.642 18.735 1.00 0.00 ATOM 67 N ILE 10 20.583 43.374 17.490 1.00 0.00 ATOM 68 CA ILE 10 19.349 42.641 17.190 1.00 0.00 ATOM 69 CB ILE 10 18.627 43.273 15.986 1.00 0.00 ATOM 70 CG1 ILE 10 18.361 44.769 16.270 1.00 0.00 ATOM 71 CG2 ILE 10 17.338 42.518 15.664 1.00 0.00 ATOM 72 CD1 ILE 10 17.591 45.482 15.191 1.00 0.00 ATOM 73 O ILE 10 19.279 40.300 17.867 1.00 0.00 ATOM 74 C ILE 10 19.606 41.122 16.982 1.00 0.00 ATOM 75 N ASP 11 20.230 40.747 15.858 1.00 0.00 ATOM 76 CA ASP 11 20.304 39.338 15.447 1.00 0.00 ATOM 77 CB ASP 11 20.698 39.201 13.978 1.00 0.00 ATOM 78 CG ASP 11 19.681 39.897 13.043 1.00 0.00 ATOM 79 OD1 ASP 11 19.714 41.132 12.979 1.00 0.00 ATOM 80 OD2 ASP 11 18.852 39.217 12.423 1.00 0.00 ATOM 81 O ASP 11 22.408 38.986 16.547 1.00 0.00 ATOM 82 C ASP 11 21.256 38.551 16.323 1.00 0.00 ATOM 83 N GLY 12 20.742 37.446 16.863 1.00 0.00 ATOM 84 CA GLY 12 21.503 36.587 17.799 1.00 0.00 ATOM 85 O GLY 12 22.337 36.509 20.038 1.00 0.00 ATOM 86 C GLY 12 21.625 37.115 19.229 1.00 0.00 ATOM 87 N THR 13 20.950 38.242 19.519 1.00 0.00 ATOM 88 CA THR 13 20.911 38.895 20.815 1.00 0.00 ATOM 89 CB THR 13 21.592 40.266 20.749 1.00 0.00 ATOM 90 CG2 THR 13 21.584 40.962 22.097 1.00 0.00 ATOM 91 OG1 THR 13 22.960 40.116 20.318 1.00 0.00 ATOM 92 O THR 13 19.101 38.596 22.381 1.00 0.00 ATOM 93 C THR 13 19.470 39.069 21.298 1.00 0.00 ATOM 94 N LEU 14 18.660 39.747 20.500 1.00 0.00 ATOM 95 CA LEU 14 17.213 39.856 20.825 1.00 0.00 ATOM 96 CB LEU 14 16.701 41.234 20.436 1.00 0.00 ATOM 97 CG LEU 14 17.397 42.438 21.082 1.00 0.00 ATOM 98 CD1 LEU 14 16.846 43.743 20.461 1.00 0.00 ATOM 99 CD2 LEU 14 17.161 42.417 22.579 1.00 0.00 ATOM 100 O LEU 14 15.361 38.353 20.662 1.00 0.00 ATOM 101 C LEU 14 16.368 38.809 20.131 1.00 0.00 ATOM 102 N LEU 15 16.736 38.479 18.910 1.00 0.00 ATOM 103 CA LEU 15 15.936 37.574 18.104 1.00 0.00 ATOM 104 CB LEU 15 14.753 38.321 17.479 1.00 0.00 ATOM 105 CG LEU 15 15.058 39.564 16.591 1.00 0.00 ATOM 106 CD1 LEU 15 15.485 39.195 15.165 1.00 0.00 ATOM 107 CD2 LEU 15 13.783 40.443 16.521 1.00 0.00 ATOM 108 O LEU 15 17.977 37.328 16.858 1.00 0.00 ATOM 109 C LEU 15 16.797 36.942 17.034 1.00 0.00 ATOM 110 N LYS 16 16.198 35.951 16.366 1.00 0.00 ATOM 111 CA LYS 16 16.737 35.327 15.161 1.00 0.00 ATOM 112 CB LYS 16 17.202 33.904 15.422 1.00 0.00 ATOM 113 CG LYS 16 18.442 33.879 16.301 1.00 0.00 ATOM 114 CD LYS 16 18.929 32.489 16.558 1.00 0.00 ATOM 115 CE LYS 16 20.149 32.560 17.489 1.00 0.00 ATOM 116 NZ LYS 16 20.694 31.226 17.853 1.00 0.00 ATOM 117 O LYS 16 14.487 35.294 14.378 1.00 0.00 ATOM 118 C LYS 16 15.691 35.291 14.089 1.00 0.00 ATOM 119 N VAL 17 16.179 35.280 12.845 1.00 0.00 ATOM 120 CA VAL 17 15.327 35.243 11.671 1.00 0.00 ATOM 121 CB VAL 17 15.581 36.429 10.725 1.00 0.00 ATOM 122 CG1 VAL 17 14.431 36.518 9.667 1.00 0.00 ATOM 123 CG2 VAL 17 15.641 37.729 11.520 1.00 0.00 ATOM 124 O VAL 17 16.694 33.483 10.858 1.00 0.00 ATOM 125 C VAL 17 15.578 33.978 10.899 1.00 0.00 ATOM 126 N GLU 18 14.525 33.516 10.239 1.00 0.00 ATOM 127 CA GLU 18 14.559 32.328 9.410 1.00 0.00 ATOM 128 CB GLU 18 13.095 32.001 9.072 1.00 0.00 ATOM 129 CG GLU 18 12.845 30.823 8.287 1.00 0.00 ATOM 130 CD GLU 18 13.290 29.554 8.924 1.00 0.00 ATOM 131 OE1 GLU 18 12.615 29.068 9.859 1.00 0.00 ATOM 132 OE2 GLU 18 14.286 29.018 8.426 1.00 0.00 ATOM 133 O GLU 18 15.789 33.690 7.864 1.00 0.00 ATOM 134 C GLU 18 15.474 32.560 8.182 1.00 0.00 ATOM 135 N SER 19 15.956 31.472 7.560 1.00 0.00 ATOM 136 CA SER 19 16.920 31.514 6.412 1.00 0.00 ATOM 137 CB SER 19 17.267 30.083 5.968 1.00 0.00 ATOM 138 OG SER 19 16.101 29.421 5.480 1.00 0.00 ATOM 139 O SER 19 17.269 32.626 4.290 1.00 0.00 ATOM 140 C SER 19 16.458 32.294 5.162 1.00 0.00 ATOM 141 N MET 20 15.162 32.548 5.064 1.00 0.00 ATOM 142 CA MET 20 14.625 33.485 4.076 1.00 0.00 ATOM 143 CB MET 20 13.120 33.685 4.315 1.00 0.00 ATOM 144 CG MET 20 12.750 34.291 5.663 1.00 0.00 ATOM 145 SD MET 20 12.788 36.249 5.722 1.00 0.00 ATOM 146 CE MET 20 11.442 36.638 4.490 1.00 0.00 ATOM 147 O MET 20 15.426 35.478 2.988 1.00 0.00 ATOM 148 C MET 20 15.347 34.850 4.038 1.00 0.00 ATOM 149 N ASN 21 15.885 35.307 5.165 1.00 0.00 ATOM 150 CA ASN 21 16.601 36.590 5.189 1.00 0.00 ATOM 151 CB ASN 21 17.148 36.869 6.600 1.00 0.00 ATOM 152 CG ASN 21 17.458 38.364 6.858 1.00 0.00 ATOM 153 ND2 ASN 21 17.411 39.190 5.821 1.00 0.00 ATOM 154 OD1 ASN 21 17.756 38.748 7.997 1.00 0.00 ATOM 155 O ASN 21 17.875 37.560 3.388 1.00 0.00 ATOM 156 C ASN 21 17.729 36.608 4.152 1.00 0.00 ATOM 157 N ARG 22 18.507 35.529 4.124 1.00 0.00 ATOM 158 CA ARG 22 19.636 35.396 3.183 1.00 0.00 ATOM 159 CB ARG 22 20.475 34.144 3.536 1.00 0.00 ATOM 160 CG ARG 22 21.287 33.545 2.404 1.00 0.00 ATOM 161 O ARG 22 19.738 35.928 0.843 1.00 0.00 ATOM 162 C ARG 22 19.124 35.372 1.742 1.00 0.00 ATOM 163 N ARG 23 17.968 34.774 1.542 1.00 0.00 ATOM 164 CA ARG 23 17.394 34.674 0.219 1.00 0.00 ATOM 165 CB ARG 23 16.423 33.513 0.175 1.00 0.00 ATOM 166 CG ARG 23 17.149 32.170 0.473 1.00 0.00 ATOM 167 CD ARG 23 16.288 30.932 0.104 1.00 0.00 ATOM 168 NE ARG 23 14.950 31.012 0.712 1.00 0.00 ATOM 169 CZ ARG 23 14.648 30.602 1.944 1.00 0.00 ATOM 170 NH1 ARG 23 15.571 30.047 2.728 1.00 0.00 ATOM 171 NH2 ARG 23 13.407 30.749 2.395 1.00 0.00 ATOM 172 O ARG 23 16.755 36.232 -1.453 1.00 0.00 ATOM 173 C ARG 23 16.744 35.965 -0.270 1.00 0.00 ATOM 174 N VAL 24 16.173 36.748 0.645 1.00 0.00 ATOM 175 CA VAL 24 15.714 38.104 0.347 1.00 0.00 ATOM 176 CB VAL 24 15.075 38.762 1.608 1.00 0.00 ATOM 177 CG1 VAL 24 14.888 40.279 1.419 1.00 0.00 ATOM 178 CG2 VAL 24 13.766 38.108 1.948 1.00 0.00 ATOM 179 O VAL 24 16.731 39.681 -1.140 1.00 0.00 ATOM 180 C VAL 24 16.862 38.969 -0.153 1.00 0.00 ATOM 181 N LEU 25 18.001 38.920 0.525 1.00 0.00 ATOM 182 CA LEU 25 19.139 39.677 0.045 1.00 0.00 ATOM 183 CB LEU 25 20.314 39.647 1.027 1.00 0.00 ATOM 184 CG LEU 25 21.504 40.540 0.606 1.00 0.00 ATOM 185 CD1 LEU 25 21.162 42.016 0.494 1.00 0.00 ATOM 186 CD2 LEU 25 22.649 40.367 1.579 1.00 0.00 ATOM 187 O LEU 25 19.832 40.019 -2.220 1.00 0.00 ATOM 188 C LEU 25 19.596 39.199 -1.332 1.00 0.00 ATOM 189 N ALA 26 19.736 37.889 -1.511 1.00 0.00 ATOM 190 CA ALA 26 20.229 37.360 -2.781 1.00 0.00 ATOM 191 CB ALA 26 20.345 35.838 -2.713 1.00 0.00 ATOM 192 O ALA 26 19.796 38.225 -4.977 1.00 0.00 ATOM 193 C ALA 26 19.318 37.783 -3.934 1.00 0.00 ATOM 194 N ASP 27 18.016 37.667 -3.722 1.00 0.00 ATOM 195 CA ASP 27 17.025 38.114 -4.681 1.00 0.00 ATOM 196 CB ASP 27 15.607 37.748 -4.196 1.00 0.00 ATOM 197 CG ASP 27 15.271 36.283 -4.426 1.00 0.00 ATOM 198 OD1 ASP 27 16.058 35.596 -5.121 1.00 0.00 ATOM 199 OD2 ASP 27 14.225 35.807 -3.927 1.00 0.00 ATOM 200 O ASP 27 16.809 39.997 -6.159 1.00 0.00 ATOM 201 C ASP 27 17.085 39.609 -5.019 1.00 0.00 ATOM 202 N ALA 28 17.416 40.446 -4.033 1.00 0.00 ATOM 203 CA ALA 28 17.495 41.879 -4.252 1.00 0.00 ATOM 204 CB ALA 28 17.512 42.618 -2.930 1.00 0.00 ATOM 205 O ALA 28 18.664 43.037 -6.010 1.00 0.00 ATOM 206 C ALA 28 18.726 42.215 -5.079 1.00 0.00 ATOM 207 N LEU 29 19.844 41.571 -4.773 1.00 0.00 ATOM 208 CA LEU 29 21.049 41.773 -5.548 1.00 0.00 ATOM 209 CB LEU 29 22.252 41.137 -4.831 1.00 0.00 ATOM 210 CG LEU 29 22.551 41.702 -3.449 1.00 0.00 ATOM 211 CD1 LEU 29 23.772 41.042 -2.853 1.00 0.00 ATOM 212 CD2 LEU 29 22.788 43.228 -3.491 1.00 0.00 ATOM 213 O LEU 29 21.466 41.866 -7.916 1.00 0.00 ATOM 214 C LEU 29 20.941 41.247 -6.991 1.00 0.00 ATOM 215 N ILE 30 20.301 40.096 -7.183 1.00 0.00 ATOM 216 CA ILE 30 20.042 39.604 -8.544 1.00 0.00 ATOM 217 CB ILE 30 19.290 38.259 -8.536 1.00 0.00 ATOM 218 CG1 ILE 30 20.213 37.134 -8.057 1.00 0.00 ATOM 219 CG2 ILE 30 18.766 37.926 -9.949 1.00 0.00 ATOM 220 CD1 ILE 30 19.480 35.844 -7.646 1.00 0.00 ATOM 221 O ILE 30 19.531 40.950 -10.487 1.00 0.00 ATOM 222 C ILE 30 19.234 40.642 -9.328 1.00 0.00 ATOM 223 N GLU 31 18.222 41.197 -8.673 1.00 0.00 ATOM 224 CA GLU 31 17.380 42.199 -9.290 1.00 0.00 ATOM 225 CB GLU 31 16.222 42.579 -8.378 1.00 0.00 ATOM 226 CG GLU 31 15.290 43.562 -9.042 1.00 0.00 ATOM 227 CD GLU 31 13.988 43.795 -8.272 1.00 0.00 ATOM 228 OE1 GLU 31 13.606 42.935 -7.428 1.00 0.00 ATOM 229 OE2 GLU 31 13.354 44.859 -8.544 1.00 0.00 ATOM 230 O GLU 31 17.836 44.016 -10.767 1.00 0.00 ATOM 231 C GLU 31 18.127 43.458 -9.716 1.00 0.00 ATOM 232 N VAL 32 19.095 43.892 -8.924 1.00 0.00 ATOM 233 CA VAL 32 19.766 45.165 -9.149 1.00 0.00 ATOM 234 CB VAL 32 20.048 45.859 -7.813 1.00 0.00 ATOM 235 CG1 VAL 32 20.957 47.064 -7.969 1.00 0.00 ATOM 236 CG2 VAL 32 18.698 46.283 -7.158 1.00 0.00 ATOM 237 O VAL 32 21.288 45.712 -10.911 1.00 0.00 ATOM 238 C VAL 32 21.054 44.985 -9.952 1.00 0.00 ATOM 239 N TYR 33 21.879 44.020 -9.564 1.00 0.00 ATOM 240 CA TYR 33 23.168 43.805 -10.223 1.00 0.00 ATOM 241 CB TYR 33 24.253 43.556 -9.174 1.00 0.00 ATOM 242 CG TYR 33 24.499 44.696 -8.218 1.00 0.00 ATOM 243 CD1 TYR 33 25.346 45.747 -8.556 1.00 0.00 ATOM 244 CD2 TYR 33 23.902 44.706 -6.961 1.00 0.00 ATOM 245 CE1 TYR 33 25.593 46.785 -7.650 1.00 0.00 ATOM 246 CE2 TYR 33 24.136 45.723 -6.065 1.00 0.00 ATOM 247 CZ TYR 33 24.980 46.752 -6.405 1.00 0.00 ATOM 248 OH TYR 33 25.181 47.760 -5.502 1.00 0.00 ATOM 249 O TYR 33 24.181 42.481 -11.955 1.00 0.00 ATOM 250 C TYR 33 23.204 42.630 -11.217 1.00 0.00 ATOM 251 N GLY 34 22.175 41.780 -11.209 1.00 0.00 ATOM 252 CA GLY 34 22.171 40.561 -12.014 1.00 0.00 ATOM 253 O GLY 34 22.482 38.201 -11.772 1.00 0.00 ATOM 254 C GLY 34 22.709 39.308 -11.316 1.00 0.00 ATOM 255 N THR 35 23.416 39.482 -10.207 1.00 0.00 ATOM 256 CA THR 35 24.023 38.379 -9.485 1.00 0.00 ATOM 257 CB THR 35 25.523 38.296 -9.760 1.00 0.00 ATOM 258 CG2 THR 35 26.247 39.574 -9.359 1.00 0.00 ATOM 259 OG1 THR 35 26.077 37.182 -9.051 1.00 0.00 ATOM 260 O THR 35 23.724 39.683 -7.512 1.00 0.00 ATOM 261 C THR 35 23.794 38.560 -7.991 1.00 0.00 ATOM 262 N GLU 36 23.667 37.443 -7.280 1.00 0.00 ATOM 263 CA GLU 36 23.637 37.457 -5.815 1.00 0.00 ATOM 264 CB GLU 36 22.822 36.280 -5.250 1.00 0.00 ATOM 265 CG GLU 36 23.314 34.875 -5.629 1.00 0.00 ATOM 266 CD GLU 36 22.584 33.770 -4.853 1.00 0.00 ATOM 267 OE1 GLU 36 23.011 33.454 -3.721 1.00 0.00 ATOM 268 OE2 GLU 36 21.594 33.209 -5.376 1.00 0.00 ATOM 269 O GLU 36 25.177 37.464 -4.007 1.00 0.00 ATOM 270 C GLU 36 25.021 37.443 -5.219 1.00 0.00 ATOM 271 N GLY 37 26.041 37.444 -6.064 1.00 0.00 ATOM 272 CA GLY 37 27.375 37.401 -5.580 1.00 0.00 ATOM 273 O GLY 37 27.038 35.039 -5.538 1.00 0.00 ATOM 274 C GLY 37 27.658 36.004 -5.092 1.00 0.00 ATOM 275 N SER 38 28.606 35.904 -4.178 1.00 0.00 ATOM 276 CA SER 38 29.087 34.624 -3.718 1.00 0.00 ATOM 277 CB SER 38 30.095 34.039 -4.739 1.00 0.00 ATOM 278 OG SER 38 30.418 32.690 -4.458 1.00 0.00 ATOM 279 O SER 38 30.708 35.551 -2.242 1.00 0.00 ATOM 280 C SER 38 29.757 34.789 -2.376 1.00 0.00 ATOM 281 N THR 39 29.154 34.279 -1.323 1.00 0.00 ATOM 282 CA THR 39 27.810 34.674 -0.861 1.00 0.00 ATOM 283 CB THR 39 26.583 34.398 -1.793 1.00 0.00 ATOM 284 CG2 THR 39 26.550 32.922 -2.360 1.00 0.00 ATOM 285 OG1 THR 39 25.376 34.668 -1.046 1.00 0.00 ATOM 286 O THR 39 28.701 33.892 1.187 1.00 0.00 ATOM 287 C THR 39 27.682 34.009 0.495 1.00 0.00 ATOM 288 N ASP 43 30.601 33.566 7.772 1.00 0.00 ATOM 289 CA ASP 43 29.331 33.999 8.347 1.00 0.00 ATOM 290 CB ASP 43 29.168 33.461 9.772 1.00 0.00 ATOM 291 CG ASP 43 30.445 33.587 10.605 1.00 0.00 ATOM 292 OD1 ASP 43 31.325 34.430 10.280 1.00 0.00 ATOM 293 OD2 ASP 43 30.564 32.830 11.604 1.00 0.00 ATOM 294 O ASP 43 30.304 36.199 8.462 1.00 0.00 ATOM 295 C ASP 43 29.267 35.513 8.372 1.00 0.00 ATOM 296 N PHE 44 28.055 36.046 8.308 1.00 0.00 ATOM 297 CA PHE 44 27.918 37.486 8.363 1.00 0.00 ATOM 298 CB PHE 44 27.113 37.967 7.157 1.00 0.00 ATOM 299 CG PHE 44 27.820 37.712 5.821 1.00 0.00 ATOM 300 CD1 PHE 44 29.089 38.241 5.568 1.00 0.00 ATOM 301 CD2 PHE 44 27.226 36.932 4.834 1.00 0.00 ATOM 302 CE1 PHE 44 29.733 38.014 4.356 1.00 0.00 ATOM 303 CE2 PHE 44 27.885 36.699 3.621 1.00 0.00 ATOM 304 CZ PHE 44 29.139 37.235 3.398 1.00 0.00 ATOM 305 O PHE 44 27.002 39.121 9.882 1.00 0.00 ATOM 306 C PHE 44 27.387 37.968 9.727 1.00 0.00 ATOM 307 N SER 45 27.457 37.084 10.725 1.00 0.00 ATOM 308 CA SER 45 27.192 37.451 12.119 1.00 0.00 ATOM 309 CB SER 45 27.543 36.294 13.053 1.00 0.00 ATOM 310 OG SER 45 26.550 35.311 12.970 1.00 0.00 ATOM 311 O SER 45 29.198 38.663 12.483 1.00 0.00 ATOM 312 C SER 45 27.982 38.654 12.569 1.00 0.00 ATOM 313 N GLY 46 27.283 39.670 13.059 1.00 0.00 ATOM 314 CA GLY 46 27.927 40.852 13.582 1.00 0.00 ATOM 315 O GLY 46 28.933 42.895 12.922 1.00 0.00 ATOM 316 C GLY 46 28.408 41.856 12.558 1.00 0.00 ATOM 317 N LYS 47 28.210 41.570 11.270 1.00 0.00 ATOM 318 CA LYS 47 28.679 42.450 10.210 1.00 0.00 ATOM 319 CB LYS 47 29.256 41.609 9.060 1.00 0.00 ATOM 320 CG LYS 47 30.561 40.897 9.480 1.00 0.00 ATOM 321 CD LYS 47 30.934 39.775 8.536 1.00 0.00 ATOM 322 O LYS 47 26.400 43.264 10.022 1.00 0.00 ATOM 323 C LYS 47 27.587 43.445 9.759 1.00 0.00 ATOM 324 N MET 48 28.022 44.533 9.137 1.00 0.00 ATOM 325 CA MET 48 27.117 45.602 8.719 1.00 0.00 ATOM 326 CB MET 48 27.926 46.875 8.527 1.00 0.00 ATOM 327 CG MET 48 28.703 47.354 9.741 1.00 0.00 ATOM 328 SD MET 48 27.486 47.945 11.147 1.00 0.00 ATOM 329 CE MET 48 26.476 48.970 10.330 1.00 0.00 ATOM 330 O MET 48 27.109 44.681 6.531 1.00 0.00 ATOM 331 C MET 48 26.439 45.197 7.398 1.00 0.00 ATOM 332 N ASP 49 25.134 45.438 7.231 1.00 0.00 ATOM 333 CA ASP 49 24.455 45.077 5.975 1.00 0.00 ATOM 334 CB ASP 49 23.004 45.565 5.983 1.00 0.00 ATOM 335 CG ASP 49 22.070 44.649 6.700 1.00 0.00 ATOM 336 OD1 ASP 49 22.489 43.545 7.101 1.00 0.00 ATOM 337 OD2 ASP 49 20.886 45.046 6.888 1.00 0.00 ATOM 338 O ASP 49 25.322 44.961 3.703 1.00 0.00 ATOM 339 C ASP 49 25.193 45.636 4.728 1.00 0.00 ATOM 340 N GLY 50 25.745 46.847 4.835 1.00 0.00 ATOM 341 CA GLY 50 26.408 47.463 3.698 1.00 0.00 ATOM 342 O GLY 50 28.030 46.575 2.209 1.00 0.00 ATOM 343 C GLY 50 27.697 46.762 3.370 1.00 0.00 ATOM 344 N ALA 51 28.401 46.331 4.405 1.00 0.00 ATOM 345 CA ALA 51 29.666 45.642 4.230 1.00 0.00 ATOM 346 CB ALA 51 30.372 45.546 5.555 1.00 0.00 ATOM 347 O ALA 51 30.225 43.734 2.835 1.00 0.00 ATOM 348 C ALA 51 29.422 44.235 3.629 1.00 0.00 ATOM 349 N ILE 52 28.298 43.628 3.977 1.00 0.00 ATOM 350 CA ILE 52 27.929 42.334 3.417 1.00 0.00 ATOM 351 CB ILE 52 26.658 41.763 4.094 1.00 0.00 ATOM 352 CG1 ILE 52 26.951 41.432 5.569 1.00 0.00 ATOM 353 CG2 ILE 52 26.199 40.505 3.353 1.00 0.00 ATOM 354 CD1 ILE 52 25.664 41.129 6.386 1.00 0.00 ATOM 355 O ILE 52 28.130 41.622 1.152 1.00 0.00 ATOM 356 C ILE 52 27.695 42.471 1.907 1.00 0.00 ATOM 357 N ILE 53 27.030 43.552 1.486 1.00 0.00 ATOM 358 CA ILE 53 26.762 43.807 0.067 1.00 0.00 ATOM 359 CB ILE 53 25.842 45.025 -0.139 1.00 0.00 ATOM 360 CG1 ILE 53 24.453 44.687 0.417 1.00 0.00 ATOM 361 CG2 ILE 53 25.786 45.451 -1.614 1.00 0.00 ATOM 362 CD1 ILE 53 23.451 45.861 0.465 1.00 0.00 ATOM 363 O ILE 53 28.225 43.323 -1.712 1.00 0.00 ATOM 364 C ILE 53 28.058 43.949 -0.677 1.00 0.00 ATOM 365 N TYR 54 28.988 44.741 -0.143 1.00 0.00 ATOM 366 CA TYR 54 30.297 44.908 -0.797 1.00 0.00 ATOM 367 CB TYR 54 31.146 46.034 -0.144 1.00 0.00 ATOM 368 CG TYR 54 30.775 47.441 -0.619 1.00 0.00 ATOM 369 CD1 TYR 54 31.345 47.996 -1.763 1.00 0.00 ATOM 370 CD2 TYR 54 29.845 48.209 0.072 1.00 0.00 ATOM 371 CE1 TYR 54 30.987 49.269 -2.201 1.00 0.00 ATOM 372 CE2 TYR 54 29.494 49.481 -0.345 1.00 0.00 ATOM 373 CZ TYR 54 30.056 50.001 -1.494 1.00 0.00 ATOM 374 OH TYR 54 29.675 51.266 -1.892 1.00 0.00 ATOM 375 O TYR 54 31.699 43.315 -1.889 1.00 0.00 ATOM 376 C TYR 54 31.076 43.601 -0.864 1.00 0.00 ATOM 377 N GLU 55 31.038 42.811 0.199 1.00 0.00 ATOM 378 CA GLU 55 31.804 41.578 0.259 1.00 0.00 ATOM 379 CB GLU 55 31.839 40.974 1.669 1.00 0.00 ATOM 380 CG GLU 55 32.729 39.710 1.724 1.00 0.00 ATOM 381 CD GLU 55 33.117 39.268 3.137 1.00 0.00 ATOM 382 OE1 GLU 55 32.772 39.956 4.132 1.00 0.00 ATOM 383 OE2 GLU 55 33.787 38.215 3.243 1.00 0.00 ATOM 384 O GLU 55 32.065 40.140 -1.600 1.00 0.00 ATOM 385 C GLU 55 31.309 40.564 -0.761 1.00 0.00 ATOM 386 N VAL 56 30.036 40.222 -0.735 1.00 0.00 ATOM 387 CA VAL 56 29.540 39.157 -1.622 1.00 0.00 ATOM 388 CB VAL 56 28.110 38.729 -1.240 1.00 0.00 ATOM 389 CG1 VAL 56 28.056 38.352 0.244 1.00 0.00 ATOM 390 CG2 VAL 56 27.120 39.813 -1.555 1.00 0.00 ATOM 391 O VAL 56 29.832 38.598 -3.956 1.00 0.00 ATOM 392 C VAL 56 29.641 39.498 -3.119 1.00 0.00 ATOM 393 N LEU 57 29.510 40.789 -3.449 1.00 0.00 ATOM 394 CA LEU 57 29.678 41.277 -4.809 1.00 0.00 ATOM 395 CB LEU 57 28.980 42.624 -5.011 1.00 0.00 ATOM 396 CG LEU 57 27.444 42.538 -4.876 1.00 0.00 ATOM 397 CD1 LEU 57 26.811 43.913 -5.017 1.00 0.00 ATOM 398 CD2 LEU 57 26.864 41.574 -5.887 1.00 0.00 ATOM 399 O LEU 57 31.519 41.004 -6.315 1.00 0.00 ATOM 400 C LEU 57 31.133 41.380 -5.198 1.00 0.00 ATOM 401 N SER 58 31.971 41.885 -4.308 1.00 0.00 ATOM 402 CA SER 58 33.372 41.980 -4.655 1.00 0.00 ATOM 403 CB SER 58 34.118 42.822 -3.623 1.00 0.00 ATOM 404 OG SER 58 34.200 42.120 -2.408 1.00 0.00 ATOM 405 O SER 58 34.929 40.407 -5.657 1.00 0.00 ATOM 406 C SER 58 34.002 40.567 -4.855 1.00 0.00 ATOM 407 N ASN 59 33.467 39.557 -4.150 1.00 0.00 ATOM 408 CA ASN 59 33.867 38.146 -4.311 1.00 0.00 ATOM 409 CB ASN 59 33.073 37.231 -3.354 1.00 0.00 ATOM 410 CG ASN 59 33.573 37.274 -1.916 1.00 0.00 ATOM 411 ND2 ASN 59 32.758 36.747 -0.987 1.00 0.00 ATOM 412 OD1 ASN 59 34.681 37.733 -1.643 1.00 0.00 ATOM 413 O ASN 59 34.471 36.775 -6.183 1.00 0.00 ATOM 414 C ASN 59 33.694 37.627 -5.739 1.00 0.00 ATOM 415 N VAL 60 32.687 38.120 -6.464 1.00 0.00 ATOM 416 CA VAL 60 32.499 37.692 -7.836 1.00 0.00 ATOM 417 CB VAL 60 31.012 37.396 -8.164 1.00 0.00 ATOM 418 CG1 VAL 60 30.500 36.308 -7.285 1.00 0.00 ATOM 419 CG2 VAL 60 30.146 38.629 -8.053 1.00 0.00 ATOM 420 O VAL 60 32.970 38.445 -10.065 1.00 0.00 ATOM 421 C VAL 60 33.149 38.635 -8.872 1.00 0.00 ATOM 422 N GLY 61 33.907 39.625 -8.416 1.00 0.00 ATOM 423 CA GLY 61 34.735 40.457 -9.294 1.00 0.00 ATOM 424 O GLY 61 34.880 42.595 -10.338 1.00 0.00 ATOM 425 C GLY 61 34.247 41.874 -9.577 1.00 0.00 ATOM 426 N LEU 62 33.129 42.286 -8.983 1.00 0.00 ATOM 427 CA LEU 62 32.656 43.673 -9.122 1.00 0.00 ATOM 428 CB LEU 62 31.250 43.829 -8.546 1.00 0.00 ATOM 429 CG LEU 62 30.052 43.450 -9.417 1.00 0.00 ATOM 430 CD1 LEU 62 29.735 41.969 -9.344 1.00 0.00 ATOM 431 CD2 LEU 62 28.812 44.264 -9.033 1.00 0.00 ATOM 432 O LEU 62 34.037 44.398 -7.337 1.00 0.00 ATOM 433 C LEU 62 33.587 44.664 -8.422 1.00 0.00 ATOM 434 N GLU 63 33.892 45.794 -9.060 1.00 0.00 ATOM 435 CA GLU 63 34.732 46.851 -8.428 1.00 0.00 ATOM 436 CB GLU 63 35.303 47.827 -9.472 1.00 0.00 ATOM 437 CG GLU 63 36.100 47.165 -10.585 1.00 0.00 ATOM 438 CD GLU 63 37.289 46.372 -10.050 1.00 0.00 ATOM 439 OE1 GLU 63 37.843 46.781 -8.994 1.00 0.00 ATOM 440 OE2 GLU 63 37.659 45.338 -10.672 1.00 0.00 ATOM 441 O GLU 63 32.705 47.645 -7.524 1.00 0.00 ATOM 442 C GLU 63 33.913 47.616 -7.404 1.00 0.00 ATOM 443 N ARG 64 34.560 48.219 -6.396 1.00 0.00 ATOM 444 CA ARG 64 33.822 48.949 -5.350 1.00 0.00 ATOM 445 CB ARG 64 34.734 49.517 -4.272 1.00 0.00 ATOM 446 CG ARG 64 35.035 48.530 -3.162 1.00 0.00 ATOM 447 CD ARG 64 35.754 49.202 -2.006 1.00 0.00 ATOM 448 NE ARG 64 34.801 49.875 -1.126 1.00 0.00 ATOM 449 CZ ARG 64 34.212 49.310 -0.074 1.00 0.00 ATOM 450 NH1 ARG 64 34.478 48.043 0.261 1.00 0.00 ATOM 451 NH2 ARG 64 33.358 50.024 0.661 1.00 0.00 ATOM 452 O ARG 64 31.819 50.194 -5.601 1.00 0.00 ATOM 453 C ARG 64 32.983 50.050 -5.949 1.00 0.00 ATOM 454 N ALA 65 33.556 50.787 -6.889 1.00 0.00 ATOM 455 CA ALA 65 32.836 51.882 -7.551 1.00 0.00 ATOM 456 CB ALA 65 33.741 52.597 -8.561 1.00 0.00 ATOM 457 O ALA 65 30.595 52.064 -8.281 1.00 0.00 ATOM 458 C ALA 65 31.595 51.379 -8.250 1.00 0.00 ATOM 459 N GLU 66 31.688 50.195 -8.852 1.00 0.00 ATOM 460 CA GLU 66 30.527 49.569 -9.536 1.00 0.00 ATOM 461 CB GLU 66 31.022 48.367 -10.339 1.00 0.00 ATOM 462 CG GLU 66 29.970 47.608 -11.096 1.00 0.00 ATOM 463 CD GLU 66 30.525 46.359 -11.796 1.00 0.00 ATOM 464 OE1 GLU 66 31.752 46.072 -11.671 1.00 0.00 ATOM 465 OE2 GLU 66 29.717 45.670 -12.467 1.00 0.00 ATOM 466 O GLU 66 28.216 49.339 -8.795 1.00 0.00 ATOM 467 C GLU 66 29.420 49.162 -8.547 1.00 0.00 ATOM 468 N ILE 67 29.833 48.610 -7.417 1.00 0.00 ATOM 469 CA ILE 67 28.889 48.270 -6.369 1.00 0.00 ATOM 470 CB ILE 67 29.568 47.514 -5.226 1.00 0.00 ATOM 471 CG1 ILE 67 30.133 46.185 -5.745 1.00 0.00 ATOM 472 CG2 ILE 67 28.557 47.268 -4.057 1.00 0.00 ATOM 473 CD1 ILE 67 31.247 45.634 -4.908 1.00 0.00 ATOM 474 O ILE 67 27.021 49.625 -5.732 1.00 0.00 ATOM 475 C ILE 67 28.236 49.554 -5.845 1.00 0.00 ATOM 476 N ALA 68 29.061 50.557 -5.544 1.00 0.00 ATOM 477 CA ALA 68 28.599 51.853 -5.014 1.00 0.00 ATOM 478 CB ALA 68 29.786 52.788 -4.837 1.00 0.00 ATOM 479 O ALA 68 26.593 53.121 -5.389 1.00 0.00 ATOM 480 C ALA 68 27.559 52.530 -5.892 1.00 0.00 ATOM 481 N ASP 69 27.740 52.431 -7.203 1.00 0.00 ATOM 482 CA ASP 69 26.834 53.064 -8.149 1.00 0.00 ATOM 483 CB ASP 69 27.258 52.777 -9.592 1.00 0.00 ATOM 484 CG ASP 69 26.502 53.634 -10.594 1.00 0.00 ATOM 485 OD1 ASP 69 26.551 54.871 -10.482 1.00 0.00 ATOM 486 OD2 ASP 69 25.853 53.087 -11.496 1.00 0.00 ATOM 487 O ASP 69 24.482 53.465 -8.266 1.00 0.00 ATOM 488 C ASP 69 25.370 52.659 -7.992 1.00 0.00 ATOM 489 N LYS 70 25.112 51.408 -7.621 1.00 0.00 ATOM 490 CA LYS 70 23.741 50.931 -7.454 1.00 0.00 ATOM 491 CB LYS 70 23.476 49.744 -8.364 1.00 0.00 ATOM 492 CG LYS 70 23.647 50.012 -9.862 1.00 0.00 ATOM 493 CD LYS 70 23.156 48.774 -10.629 1.00 0.00 ATOM 494 CE LYS 70 23.326 48.867 -12.125 1.00 0.00 ATOM 495 NZ LYS 70 23.219 47.492 -12.822 1.00 0.00 ATOM 496 O LYS 70 22.404 49.919 -5.759 1.00 0.00 ATOM 497 C LYS 70 23.420 50.530 -6.014 1.00 0.00 ATOM 498 N PHE 71 24.288 50.889 -5.083 1.00 0.00 ATOM 499 CA PHE 71 24.141 50.466 -3.686 1.00 0.00 ATOM 500 CB PHE 71 25.304 50.997 -2.826 1.00 0.00 ATOM 501 CG PHE 71 25.218 50.593 -1.389 1.00 0.00 ATOM 502 CD1 PHE 71 24.450 51.338 -0.493 1.00 0.00 ATOM 503 CD2 PHE 71 25.867 49.465 -0.927 1.00 0.00 ATOM 504 CE1 PHE 71 24.354 50.992 0.847 1.00 0.00 ATOM 505 CE2 PHE 71 25.755 49.103 0.415 1.00 0.00 ATOM 506 CZ PHE 71 25.001 49.893 1.299 1.00 0.00 ATOM 507 O PHE 71 22.068 50.074 -2.530 1.00 0.00 ATOM 508 C PHE 71 22.797 50.897 -3.097 1.00 0.00 ATOM 509 N ASP 72 22.444 52.174 -3.246 1.00 0.00 ATOM 510 CA ASP 72 21.197 52.670 -2.638 1.00 0.00 ATOM 511 CB ASP 72 21.044 54.192 -2.797 1.00 0.00 ATOM 512 CG ASP 72 22.082 54.978 -2.003 1.00 0.00 ATOM 513 OD1 ASP 72 22.575 54.505 -0.955 1.00 0.00 ATOM 514 OD2 ASP 72 22.446 56.093 -2.453 1.00 0.00 ATOM 515 O ASP 72 19.090 51.582 -2.414 1.00 0.00 ATOM 516 C ASP 72 19.982 51.943 -3.179 1.00 0.00 ATOM 517 N LYS 73 19.947 51.689 -4.488 1.00 0.00 ATOM 518 CA LYS 73 18.855 50.890 -5.054 1.00 0.00 ATOM 519 CB LYS 73 18.919 50.897 -6.580 1.00 0.00 ATOM 520 CG LYS 73 17.861 50.019 -7.224 1.00 0.00 ATOM 521 CD LYS 73 17.213 50.637 -8.434 1.00 0.00 ATOM 522 CE LYS 73 15.851 49.943 -8.713 1.00 0.00 ATOM 523 NZ LYS 73 14.820 50.168 -7.616 1.00 0.00 ATOM 524 O LYS 73 17.766 48.899 -4.244 1.00 0.00 ATOM 525 C LYS 73 18.826 49.440 -4.518 1.00 0.00 ATOM 526 N ALA 74 19.996 48.823 -4.381 1.00 0.00 ATOM 527 CA ALA 74 20.106 47.490 -3.757 1.00 0.00 ATOM 528 CB ALA 74 21.553 47.008 -3.780 1.00 0.00 ATOM 529 O ALA 74 18.784 46.633 -1.939 1.00 0.00 ATOM 530 C ALA 74 19.571 47.505 -2.326 1.00 0.00 ATOM 531 N LYS 75 19.977 48.506 -1.548 1.00 0.00 ATOM 532 CA LYS 75 19.455 48.678 -0.184 1.00 0.00 ATOM 533 CB LYS 75 20.036 49.932 0.473 1.00 0.00 ATOM 534 CG LYS 75 19.488 50.299 1.827 1.00 0.00 ATOM 535 CD LYS 75 20.055 51.612 2.242 1.00 0.00 ATOM 536 CE LYS 75 19.488 52.079 3.549 1.00 0.00 ATOM 537 NZ LYS 75 20.135 53.390 3.885 1.00 0.00 ATOM 538 O LYS 75 17.290 47.962 0.529 1.00 0.00 ATOM 539 C LYS 75 17.931 48.742 -0.181 1.00 0.00 ATOM 540 N GLU 76 17.358 49.658 -0.975 1.00 0.00 ATOM 541 CA GLU 76 15.914 49.865 -0.992 1.00 0.00 ATOM 542 CB GLU 76 15.555 51.032 -1.925 1.00 0.00 ATOM 543 O GLU 76 14.082 48.321 -0.921 1.00 0.00 ATOM 544 C GLU 76 15.153 48.614 -1.438 1.00 0.00 ATOM 545 N THR 77 15.700 47.907 -2.420 1.00 0.00 ATOM 546 CA THR 77 15.083 46.682 -2.935 1.00 0.00 ATOM 547 CB THR 77 15.813 46.198 -4.231 1.00 0.00 ATOM 548 CG2 THR 77 15.190 44.900 -4.790 1.00 0.00 ATOM 549 OG1 THR 77 15.755 47.228 -5.233 1.00 0.00 ATOM 550 O THR 77 14.033 44.978 -1.596 1.00 0.00 ATOM 551 C THR 77 15.069 45.596 -1.839 1.00 0.00 ATOM 552 N TYR 78 16.200 45.430 -1.153 1.00 0.00 ATOM 553 CA TYR 78 16.323 44.482 -0.033 1.00 0.00 ATOM 554 CB TYR 78 17.758 44.522 0.537 1.00 0.00 ATOM 555 CG TYR 78 17.849 43.871 1.903 1.00 0.00 ATOM 556 CD1 TYR 78 17.712 42.509 2.043 1.00 0.00 ATOM 557 CD2 TYR 78 18.014 44.637 3.048 1.00 0.00 ATOM 558 CE1 TYR 78 17.751 41.902 3.293 1.00 0.00 ATOM 559 CE2 TYR 78 18.061 44.048 4.300 1.00 0.00 ATOM 560 CZ TYR 78 17.921 42.677 4.413 1.00 0.00 ATOM 561 OH TYR 78 17.956 42.071 5.639 1.00 0.00 ATOM 562 O TYR 78 14.544 43.900 1.506 1.00 0.00 ATOM 563 C TYR 78 15.285 44.781 1.070 1.00 0.00 ATOM 564 N ILE 79 15.217 46.045 1.482 1.00 0.00 ATOM 565 CA ILE 79 14.303 46.451 2.544 1.00 0.00 ATOM 566 CB ILE 79 14.492 47.964 2.900 1.00 0.00 ATOM 567 CG1 ILE 79 15.848 48.172 3.564 1.00 0.00 ATOM 568 CG2 ILE 79 13.369 48.458 3.777 1.00 0.00 ATOM 569 CD1 ILE 79 16.330 49.605 3.613 1.00 0.00 ATOM 570 O ILE 79 12.084 45.600 2.937 1.00 0.00 ATOM 571 C ILE 79 12.854 46.169 2.151 1.00 0.00 ATOM 572 N ALA 80 12.480 46.585 0.947 1.00 0.00 ATOM 573 CA ALA 80 11.118 46.417 0.474 1.00 0.00 ATOM 574 CB ALA 80 10.951 47.083 -0.879 1.00 0.00 ATOM 575 O ALA 80 9.679 44.514 0.806 1.00 0.00 ATOM 576 C ALA 80 10.760 44.940 0.375 1.00 0.00 ATOM 577 N LEU 81 11.690 44.144 -0.147 1.00 0.00 ATOM 578 CA LEU 81 11.451 42.697 -0.281 1.00 0.00 ATOM 579 CB LEU 81 12.580 42.068 -1.074 1.00 0.00 ATOM 580 CG LEU 81 12.228 40.947 -2.031 1.00 0.00 ATOM 581 CD1 LEU 81 10.987 41.271 -2.879 1.00 0.00 ATOM 582 CD2 LEU 81 13.465 40.692 -2.903 1.00 0.00 ATOM 583 O LEU 81 10.482 41.143 1.269 1.00 0.00 ATOM 584 C LEU 81 11.336 42.016 1.084 1.00 0.00 ATOM 585 N PHE 82 12.170 42.438 2.035 1.00 0.00 ATOM 586 CA PHE 82 12.125 41.892 3.384 1.00 0.00 ATOM 587 CB PHE 82 13.285 42.416 4.251 1.00 0.00 ATOM 588 CG PHE 82 13.365 41.735 5.584 1.00 0.00 ATOM 589 CD1 PHE 82 13.794 40.421 5.669 1.00 0.00 ATOM 590 CD2 PHE 82 12.866 42.355 6.729 1.00 0.00 ATOM 591 CE1 PHE 82 13.816 39.758 6.900 1.00 0.00 ATOM 592 CE2 PHE 82 12.855 41.687 7.965 1.00 0.00 ATOM 593 CZ PHE 82 13.328 40.397 8.047 1.00 0.00 ATOM 594 O PHE 82 10.101 41.292 4.533 1.00 0.00 ATOM 595 C PHE 82 10.757 42.191 3.999 1.00 0.00 ATOM 596 N ARG 83 10.301 43.434 3.855 1.00 0.00 ATOM 597 CA ARG 83 9.026 43.850 4.437 1.00 0.00 ATOM 598 CB ARG 83 8.872 45.390 4.379 1.00 0.00 ATOM 599 CG ARG 83 9.892 46.114 5.341 1.00 0.00 ATOM 600 CD ARG 83 9.687 47.642 5.575 1.00 0.00 ATOM 601 O ARG 83 6.842 42.880 4.429 1.00 0.00 ATOM 602 C ARG 83 7.866 43.127 3.788 1.00 0.00 ATOM 603 N GLU 84 8.029 42.767 2.522 1.00 0.00 ATOM 604 CA GLU 84 7.008 42.065 1.776 1.00 0.00 ATOM 605 CB GLU 84 7.355 42.119 0.288 1.00 0.00 ATOM 606 CG GLU 84 6.208 41.804 -0.627 1.00 0.00 ATOM 607 CD GLU 84 6.664 41.348 -2.012 1.00 0.00 ATOM 608 OE1 GLU 84 7.605 41.960 -2.599 1.00 0.00 ATOM 609 OE2 GLU 84 6.061 40.363 -2.515 1.00 0.00 ATOM 610 O GLU 84 5.815 40.073 2.312 1.00 0.00 ATOM 611 C GLU 84 6.901 40.603 2.192 1.00 0.00 ATOM 612 N ARG 85 8.031 39.936 2.378 1.00 0.00 ATOM 613 CA ARG 85 8.015 38.482 2.539 1.00 0.00 ATOM 614 CB ARG 85 9.208 37.847 1.830 1.00 0.00 ATOM 615 CG ARG 85 9.234 38.028 0.343 1.00 0.00 ATOM 616 CD ARG 85 10.445 37.307 -0.182 1.00 0.00 ATOM 617 NE ARG 85 10.644 37.494 -1.612 1.00 0.00 ATOM 618 CZ ARG 85 11.730 37.089 -2.271 1.00 0.00 ATOM 619 NH1 ARG 85 12.726 36.486 -1.638 1.00 0.00 ATOM 620 NH2 ARG 85 11.809 37.301 -3.578 1.00 0.00 ATOM 621 O ARG 85 7.466 36.952 4.281 1.00 0.00 ATOM 622 C ARG 85 8.022 38.001 3.989 1.00 0.00 ATOM 623 N ALA 86 8.717 38.715 4.871 1.00 0.00 ATOM 624 CA ALA 86 8.849 38.284 6.260 1.00 0.00 ATOM 625 CB ALA 86 9.763 39.216 7.007 1.00 0.00 ATOM 626 O ALA 86 6.630 39.051 6.759 1.00 0.00 ATOM 627 C ALA 86 7.484 38.201 6.964 1.00 0.00 ATOM 628 N ARG 87 7.289 37.166 7.778 1.00 0.00 ATOM 629 CA ARG 87 6.100 37.008 8.612 1.00 0.00 ATOM 630 CB ARG 87 5.241 35.824 8.147 1.00 0.00 ATOM 631 CG ARG 87 4.762 35.855 6.677 1.00 0.00 ATOM 632 CD ARG 87 3.720 36.941 6.426 1.00 0.00 ATOM 633 NE ARG 87 3.222 36.941 5.040 1.00 0.00 ATOM 634 CZ ARG 87 3.570 37.806 4.075 1.00 0.00 ATOM 635 NH1 ARG 87 4.447 38.782 4.299 1.00 0.00 ATOM 636 NH2 ARG 87 3.035 37.688 2.857 1.00 0.00 ATOM 637 O ARG 87 7.703 36.380 10.294 1.00 0.00 ATOM 638 C ARG 87 6.545 36.740 10.045 1.00 0.00 ATOM 639 N ARG 88 5.610 36.884 10.986 1.00 0.00 ATOM 640 CA ARG 88 5.896 36.680 12.413 1.00 0.00 ATOM 641 CB ARG 88 4.592 36.737 13.211 1.00 0.00 ATOM 642 CG ARG 88 4.740 36.384 14.690 1.00 0.00 ATOM 643 CD ARG 88 5.722 37.309 15.405 1.00 0.00 ATOM 644 NE ARG 88 5.909 36.955 16.812 1.00 0.00 ATOM 645 CZ ARG 88 6.884 36.177 17.287 1.00 0.00 ATOM 646 NH1 ARG 88 7.785 35.633 16.484 1.00 0.00 ATOM 647 NH2 ARG 88 6.946 35.917 18.586 1.00 0.00 ATOM 648 O ARG 88 7.495 35.225 13.426 1.00 0.00 ATOM 649 C ARG 88 6.571 35.340 12.646 1.00 0.00 ATOM 650 N GLU 89 6.131 34.336 11.899 1.00 0.00 ATOM 651 CA GLU 89 6.658 32.972 12.032 1.00 0.00 ATOM 652 CB GLU 89 5.797 32.017 11.220 1.00 0.00 ATOM 653 CG GLU 89 4.377 31.847 11.783 1.00 0.00 ATOM 654 CD GLU 89 3.416 33.016 11.495 1.00 0.00 ATOM 655 OE1 GLU 89 3.667 33.815 10.565 1.00 0.00 ATOM 656 OE2 GLU 89 2.395 33.139 12.225 1.00 0.00 ATOM 657 O GLU 89 8.742 31.773 11.896 1.00 0.00 ATOM 658 C GLU 89 8.119 32.813 11.617 1.00 0.00 ATOM 659 N ASP 90 8.653 33.814 10.927 1.00 0.00 ATOM 660 CA ASP 90 10.072 33.858 10.566 1.00 0.00 ATOM 661 CB ASP 90 10.278 34.741 9.321 1.00 0.00 ATOM 662 CG ASP 90 9.594 34.178 8.080 1.00 0.00 ATOM 663 OD1 ASP 90 9.630 32.941 7.884 1.00 0.00 ATOM 664 OD2 ASP 90 9.035 34.964 7.285 1.00 0.00 ATOM 665 O ASP 90 12.176 34.197 11.636 1.00 0.00 ATOM 666 C ASP 90 10.968 34.359 11.707 1.00 0.00 ATOM 667 N ILE 91 10.377 34.953 12.752 1.00 0.00 ATOM 668 CA ILE 91 11.139 35.587 13.838 1.00 0.00 ATOM 669 CB ILE 91 10.663 37.087 14.130 1.00 0.00 ATOM 670 CG1 ILE 91 10.612 37.935 12.851 1.00 0.00 ATOM 671 CG2 ILE 91 11.550 37.770 15.165 1.00 0.00 ATOM 672 CD1 ILE 91 11.938 38.112 12.110 1.00 0.00 ATOM 673 O ILE 91 9.889 34.352 15.496 1.00 0.00 ATOM 674 C ILE 91 10.990 34.748 15.105 1.00 0.00 ATOM 675 N THR 92 12.101 34.486 15.754 1.00 0.00 ATOM 676 CA THR 92 12.132 33.800 17.021 1.00 0.00 ATOM 677 CB THR 92 13.071 32.591 16.901 1.00 0.00 ATOM 678 CG2 THR 92 13.329 31.923 18.248 1.00 0.00 ATOM 679 OG1 THR 92 12.482 31.659 15.992 1.00 0.00 ATOM 680 O THR 92 13.852 35.152 17.931 1.00 0.00 ATOM 681 C THR 92 12.712 34.769 18.045 1.00 0.00 ATOM 682 N LEU 93 11.902 35.175 19.017 1.00 0.00 ATOM 683 CA LEU 93 12.392 35.969 20.140 1.00 0.00 ATOM 684 CB LEU 93 11.180 36.584 20.859 1.00 0.00 ATOM 685 CG LEU 93 11.379 37.956 21.511 1.00 0.00 ATOM 686 CD1 LEU 93 11.496 39.026 20.453 1.00 0.00 ATOM 687 CD2 LEU 93 10.261 38.294 22.454 1.00 0.00 ATOM 688 O LEU 93 12.866 33.975 21.413 1.00 0.00 ATOM 689 C LEU 93 13.253 35.086 21.076 1.00 0.00 ATOM 690 N LEU 94 14.444 35.548 21.461 1.00 0.00 ATOM 691 CA LEU 94 15.331 34.742 22.292 1.00 0.00 ATOM 692 CB LEU 94 16.755 35.229 22.109 1.00 0.00 ATOM 693 CG LEU 94 17.202 35.060 20.666 1.00 0.00 ATOM 694 CD1 LEU 94 18.671 35.463 20.506 1.00 0.00 ATOM 695 CD2 LEU 94 17.013 33.615 20.190 1.00 0.00 ATOM 696 O LEU 94 13.983 35.489 24.135 1.00 0.00 ATOM 697 C LEU 94 14.892 34.730 23.752 1.00 0.00 ATOM 698 N GLU 95 15.516 33.867 24.563 1.00 0.00 ATOM 699 CA GLU 95 15.014 33.586 25.917 1.00 0.00 ATOM 700 CB GLU 95 15.783 32.417 26.576 1.00 0.00 ATOM 701 CG GLU 95 15.234 32.078 27.975 1.00 0.00 ATOM 702 CD GLU 95 15.806 30.796 28.573 1.00 0.00 ATOM 703 OE1 GLU 95 16.847 30.309 28.089 1.00 0.00 ATOM 704 OE2 GLU 95 15.201 30.295 29.550 1.00 0.00 ATOM 705 O GLU 95 16.156 35.441 26.883 1.00 0.00 ATOM 706 C GLU 95 15.100 34.825 26.798 1.00 0.00 ATOM 707 N GLY 96 13.991 35.229 27.399 1.00 0.00 ATOM 708 CA GLY 96 14.008 36.313 28.404 1.00 0.00 ATOM 709 O GLY 96 14.047 38.704 28.666 1.00 0.00 ATOM 710 C GLY 96 14.019 37.746 27.886 1.00 0.00 ATOM 711 N VAL 97 13.979 37.901 26.567 1.00 0.00 ATOM 712 CA VAL 97 14.161 39.213 25.941 1.00 0.00 ATOM 713 CB VAL 97 14.310 39.048 24.426 1.00 0.00 ATOM 714 CG1 VAL 97 14.069 40.385 23.675 1.00 0.00 ATOM 715 CG2 VAL 97 15.659 38.443 24.128 1.00 0.00 ATOM 716 O VAL 97 13.314 41.341 26.672 1.00 0.00 ATOM 717 C VAL 97 13.038 40.209 26.285 1.00 0.00 ATOM 718 N ARG 98 11.777 39.789 26.167 1.00 0.00 ATOM 719 CA ARG 98 10.677 40.729 26.421 1.00 0.00 ATOM 720 CB ARG 98 9.314 40.166 26.012 1.00 0.00 ATOM 721 CG ARG 98 8.212 41.266 25.978 1.00 0.00 ATOM 722 CD ARG 98 6.804 40.766 25.702 1.00 0.00 ATOM 723 NE ARG 98 6.734 39.868 24.547 1.00 0.00 ATOM 724 CZ ARG 98 6.605 40.257 23.275 1.00 0.00 ATOM 725 NH1 ARG 98 6.501 41.548 22.938 1.00 0.00 ATOM 726 NH2 ARG 98 6.570 39.337 22.326 1.00 0.00 ATOM 727 O ARG 98 10.515 42.337 28.203 1.00 0.00 ATOM 728 C ARG 98 10.679 41.167 27.895 1.00 0.00 ATOM 729 N GLU 99 10.918 40.202 28.788 1.00 0.00 ATOM 730 CA GLU 99 11.016 40.438 30.223 1.00 0.00 ATOM 731 CB GLU 99 11.286 39.126 30.964 1.00 0.00 ATOM 732 CG GLU 99 10.166 38.073 30.855 1.00 0.00 ATOM 733 CD GLU 99 10.151 37.277 29.532 1.00 0.00 ATOM 734 OE1 GLU 99 11.051 37.438 28.657 1.00 0.00 ATOM 735 OE2 GLU 99 9.200 36.480 29.365 1.00 0.00 ATOM 736 O GLU 99 11.938 42.332 31.360 1.00 0.00 ATOM 737 C GLU 99 12.126 41.444 30.544 1.00 0.00 ATOM 738 N LEU 100 13.252 41.315 29.859 1.00 0.00 ATOM 739 CA LEU 100 14.404 42.164 30.118 1.00 0.00 ATOM 740 CB LEU 100 15.643 41.603 29.408 1.00 0.00 ATOM 741 CG LEU 100 16.939 42.414 29.528 1.00 0.00 ATOM 742 CD1 LEU 100 17.334 42.626 30.985 1.00 0.00 ATOM 743 CD2 LEU 100 18.085 41.768 28.748 1.00 0.00 ATOM 744 O LEU 100 14.473 44.574 30.303 1.00 0.00 ATOM 745 C LEU 100 14.135 43.595 29.636 1.00 0.00 ATOM 746 N LEU 101 13.542 43.711 28.454 1.00 0.00 ATOM 747 CA LEU 101 13.250 45.006 27.873 1.00 0.00 ATOM 748 CB LEU 101 12.842 44.851 26.408 1.00 0.00 ATOM 749 CG LEU 101 13.958 44.421 25.440 1.00 0.00 ATOM 750 CD1 LEU 101 13.478 44.336 24.020 1.00 0.00 ATOM 751 CD2 LEU 101 15.155 45.337 25.498 1.00 0.00 ATOM 752 O LEU 101 12.292 46.920 28.911 1.00 0.00 ATOM 753 C LEU 101 12.178 45.731 28.694 1.00 0.00 ATOM 754 N ASP 102 11.164 45.020 29.179 1.00 0.00 ATOM 755 CA ASP 102 10.205 45.611 30.113 1.00 0.00 ATOM 756 CB ASP 102 9.199 44.573 30.577 1.00 0.00 ATOM 757 CG ASP 102 8.149 44.296 29.566 1.00 0.00 ATOM 758 OD1 ASP 102 8.068 45.074 28.587 1.00 0.00 ATOM 759 OD2 ASP 102 7.393 43.303 29.752 1.00 0.00 ATOM 760 O ASP 102 10.502 47.232 31.838 1.00 0.00 ATOM 761 C ASP 102 10.867 46.158 31.378 1.00 0.00 ATOM 762 N ALA 103 11.777 45.375 31.954 1.00 0.00 ATOM 763 CA ALA 103 12.483 45.743 33.177 1.00 0.00 ATOM 764 CB ALA 103 13.364 44.588 33.653 1.00 0.00 ATOM 765 O ALA 103 13.399 47.838 33.879 1.00 0.00 ATOM 766 C ALA 103 13.325 47.002 32.984 1.00 0.00 ATOM 767 N LEU 104 13.971 47.130 31.821 1.00 0.00 ATOM 768 CA LEU 104 14.799 48.282 31.517 1.00 0.00 ATOM 769 CB LEU 104 15.754 47.951 30.364 1.00 0.00 ATOM 770 CG LEU 104 16.844 46.968 30.754 1.00 0.00 ATOM 771 CD1 LEU 104 17.472 46.397 29.504 1.00 0.00 ATOM 772 CD2 LEU 104 17.916 47.626 31.661 1.00 0.00 ATOM 773 O LEU 104 14.344 50.638 31.601 1.00 0.00 ATOM 774 C LEU 104 14.009 49.529 31.165 1.00 0.00 ATOM 775 N SER 105 12.957 49.354 30.379 1.00 0.00 ATOM 776 CA SER 105 12.259 50.484 29.805 1.00 0.00 ATOM 777 CB SER 105 11.423 50.037 28.612 1.00 0.00 ATOM 778 OG SER 105 10.437 49.120 29.031 1.00 0.00 ATOM 779 O SER 105 11.063 52.361 30.665 1.00 0.00 ATOM 780 C SER 105 11.381 51.197 30.834 1.00 0.00 ATOM 781 N SER 106 11.006 50.485 31.891 1.00 0.00 ATOM 782 CA SER 106 10.244 51.049 32.990 1.00 0.00 ATOM 783 CB SER 106 9.647 49.915 33.805 1.00 0.00 ATOM 784 OG SER 106 10.660 49.276 34.551 1.00 0.00 ATOM 785 O SER 106 10.515 52.690 34.745 1.00 0.00 ATOM 786 C SER 106 11.079 51.952 33.925 1.00 0.00 ATOM 787 N ARG 107 12.404 51.884 33.813 1.00 0.00 ATOM 788 CA ARG 107 13.297 52.735 34.600 1.00 0.00 ATOM 789 CB ARG 107 14.610 52.024 34.811 1.00 0.00 ATOM 790 CG ARG 107 14.476 50.795 35.671 1.00 0.00 ATOM 791 CD ARG 107 15.826 50.219 35.933 1.00 0.00 ATOM 792 NE ARG 107 16.686 51.086 36.755 1.00 0.00 ATOM 793 CZ ARG 107 16.846 50.980 38.077 1.00 0.00 ATOM 794 NH1 ARG 107 16.182 50.076 38.785 1.00 0.00 ATOM 795 NH2 ARG 107 17.687 51.785 38.704 1.00 0.00 ATOM 796 O ARG 107 14.050 54.110 32.814 1.00 0.00 ATOM 797 C ARG 107 13.584 54.072 33.943 1.00 0.00 ATOM 798 N SER 108 13.339 55.164 34.675 1.00 0.00 ATOM 799 CA SER 108 13.600 56.529 34.195 1.00 0.00 ATOM 800 CB SER 108 13.051 57.555 35.180 1.00 0.00 ATOM 801 OG SER 108 13.661 57.373 36.460 1.00 0.00 ATOM 802 O SER 108 15.459 57.550 33.103 1.00 0.00 ATOM 803 C SER 108 15.092 56.799 33.990 1.00 0.00 ATOM 804 N ASP 109 15.942 56.165 34.789 1.00 0.00 ATOM 805 CA ASP 109 17.398 56.350 34.679 1.00 0.00 ATOM 806 CB ASP 109 18.077 55.927 35.982 1.00 0.00 ATOM 807 CG ASP 109 17.763 54.497 36.363 1.00 0.00 ATOM 808 OD1 ASP 109 16.590 54.094 36.271 1.00 0.00 ATOM 809 OD2 ASP 109 18.684 53.775 36.776 1.00 0.00 ATOM 810 O ASP 109 19.272 55.650 33.344 1.00 0.00 ATOM 811 C ASP 109 18.051 55.584 33.511 1.00 0.00 ATOM 812 N VAL 110 17.256 54.865 32.720 1.00 0.00 ATOM 813 CA VAL 110 17.773 54.075 31.607 1.00 0.00 ATOM 814 CB VAL 110 17.303 52.608 31.691 1.00 0.00 ATOM 815 CG1 VAL 110 17.761 51.783 30.443 1.00 0.00 ATOM 816 CG2 VAL 110 17.814 51.962 32.941 1.00 0.00 ATOM 817 O VAL 110 16.123 54.939 30.097 1.00 0.00 ATOM 818 C VAL 110 17.305 54.656 30.275 1.00 0.00 ATOM 819 N LEU 111 18.239 54.829 29.339 1.00 0.00 ATOM 820 CA LEU 111 17.858 55.111 27.950 1.00 0.00 ATOM 821 CB LEU 111 18.592 56.325 27.403 1.00 0.00 ATOM 822 CG LEU 111 18.355 56.582 25.914 1.00 0.00 ATOM 823 CD1 LEU 111 16.889 56.855 25.605 1.00 0.00 ATOM 824 CD2 LEU 111 19.227 57.712 25.460 1.00 0.00 ATOM 825 O LEU 111 19.323 53.469 27.025 1.00 0.00 ATOM 826 C LEU 111 18.181 53.897 27.086 1.00 0.00 ATOM 827 N LEU 112 17.192 53.343 26.405 1.00 0.00 ATOM 828 CA LEU 112 17.461 52.181 25.531 1.00 0.00 ATOM 829 CB LEU 112 16.324 51.179 25.550 1.00 0.00 ATOM 830 CG LEU 112 16.190 50.217 26.731 1.00 0.00 ATOM 831 CD1 LEU 112 14.824 49.583 26.615 1.00 0.00 ATOM 832 CD2 LEU 112 17.251 49.165 26.705 1.00 0.00 ATOM 833 O LEU 112 16.956 53.515 23.614 1.00 0.00 ATOM 834 C LEU 112 17.673 52.637 24.094 1.00 0.00 ATOM 835 N GLY 113 18.672 52.054 23.429 1.00 0.00 ATOM 836 CA GLY 113 18.866 52.252 21.998 1.00 0.00 ATOM 837 O GLY 113 19.787 50.009 21.911 1.00 0.00 ATOM 838 C GLY 113 19.379 50.995 21.279 1.00 0.00 ATOM 839 N LEU 114 19.361 51.043 19.948 1.00 0.00 ATOM 840 CA LEU 114 19.818 49.954 19.130 1.00 0.00 ATOM 841 CB LEU 114 18.893 49.772 17.958 1.00 0.00 ATOM 842 CG LEU 114 17.492 49.303 18.381 1.00 0.00 ATOM 843 CD1 LEU 114 16.569 49.481 17.248 1.00 0.00 ATOM 844 CD2 LEU 114 17.522 47.817 18.799 1.00 0.00 ATOM 845 O LEU 114 21.389 51.477 18.279 1.00 0.00 ATOM 846 C LEU 114 21.170 50.319 18.603 1.00 0.00 ATOM 847 N LEU 115 22.060 49.341 18.507 1.00 0.00 ATOM 848 CA LEU 115 23.323 49.469 17.806 1.00 0.00 ATOM 849 CB LEU 115 24.497 49.635 18.778 1.00 0.00 ATOM 850 CG LEU 115 25.768 50.183 18.137 1.00 0.00 ATOM 851 CD1 LEU 115 26.690 50.771 19.169 1.00 0.00 ATOM 852 CD2 LEU 115 26.520 49.124 17.340 1.00 0.00 ATOM 853 O LEU 115 23.751 47.117 17.636 1.00 0.00 ATOM 854 C LEU 115 23.474 48.173 17.025 1.00 0.00 ATOM 855 N THR 116 23.225 48.249 15.705 1.00 0.00 ATOM 856 CA THR 116 23.000 47.061 14.904 1.00 0.00 ATOM 857 CB THR 116 21.482 46.778 14.866 1.00 0.00 ATOM 858 CG2 THR 116 20.715 48.016 14.484 1.00 0.00 ATOM 859 OG1 THR 116 21.204 45.696 13.987 1.00 0.00 ATOM 860 O THR 116 23.755 48.185 12.931 1.00 0.00 ATOM 861 C THR 116 23.570 47.104 13.500 1.00 0.00 ATOM 862 N GLY 117 23.856 45.915 12.951 1.00 0.00 ATOM 863 CA GLY 117 24.325 45.775 11.561 1.00 0.00 ATOM 864 O GLY 117 23.412 45.956 9.352 1.00 0.00 ATOM 865 C GLY 117 23.184 45.865 10.560 1.00 0.00 ATOM 866 N ASN 118 21.941 45.793 11.035 1.00 0.00 ATOM 867 CA ASN 118 20.789 45.987 10.162 1.00 0.00 ATOM 868 CB ASN 118 19.482 45.629 10.903 1.00 0.00 ATOM 869 CG ASN 118 19.311 44.136 11.155 1.00 0.00 ATOM 870 ND2 ASN 118 19.604 43.688 12.396 1.00 0.00 ATOM 871 OD1 ASN 118 18.836 43.406 10.268 1.00 0.00 ATOM 872 O ASN 118 20.934 48.393 10.434 1.00 0.00 ATOM 873 C ASN 118 20.660 47.449 9.677 1.00 0.00 ATOM 874 N PHE 119 20.224 47.633 8.423 1.00 0.00 ATOM 875 CA PHE 119 19.632 48.885 8.003 1.00 0.00 ATOM 876 CB PHE 119 19.104 48.825 6.552 1.00 0.00 ATOM 877 CG PHE 119 20.173 48.602 5.500 1.00 0.00 ATOM 878 CD1 PHE 119 21.238 49.484 5.365 1.00 0.00 ATOM 879 CD2 PHE 119 20.078 47.537 4.607 1.00 0.00 ATOM 880 CE1 PHE 119 22.231 49.274 4.379 1.00 0.00 ATOM 881 CE2 PHE 119 21.041 47.341 3.633 1.00 0.00 ATOM 882 CZ PHE 119 22.125 48.205 3.527 1.00 0.00 ATOM 883 O PHE 119 17.834 48.149 9.435 1.00 0.00 ATOM 884 C PHE 119 18.462 49.108 8.967 1.00 0.00 ATOM 885 N GLU 120 18.189 50.362 9.303 1.00 0.00 ATOM 886 CA GLU 120 17.133 50.670 10.260 1.00 0.00 ATOM 887 CB GLU 120 16.962 52.175 10.480 1.00 0.00 ATOM 888 CG GLU 120 15.899 52.520 11.549 1.00 0.00 ATOM 889 CD GLU 120 15.910 54.004 12.018 1.00 0.00 ATOM 890 OE1 GLU 120 16.651 54.847 11.454 1.00 0.00 ATOM 891 OE2 GLU 120 15.188 54.309 12.979 1.00 0.00 ATOM 892 O GLU 120 15.076 49.584 10.691 1.00 0.00 ATOM 893 C GLU 120 15.790 50.115 9.844 1.00 0.00 ATOM 894 N ALA 121 15.419 50.259 8.575 1.00 0.00 ATOM 895 CA ALA 121 14.050 49.942 8.195 1.00 0.00 ATOM 896 CB ALA 121 13.746 50.429 6.785 1.00 0.00 ATOM 897 O ALA 121 12.736 48.029 8.788 1.00 0.00 ATOM 898 C ALA 121 13.803 48.436 8.325 1.00 0.00 ATOM 899 N SER 122 14.800 47.630 7.937 1.00 0.00 ATOM 900 CA SER 122 14.684 46.174 8.020 1.00 0.00 ATOM 901 CB SER 122 15.534 45.497 6.975 1.00 0.00 ATOM 902 OG SER 122 16.876 45.951 7.010 1.00 0.00 ATOM 903 O SER 122 14.268 44.700 9.901 1.00 0.00 ATOM 904 C SER 122 14.947 45.637 9.442 1.00 0.00 ATOM 905 N GLY 123 15.900 46.230 10.145 1.00 0.00 ATOM 906 CA GLY 123 16.164 45.880 11.556 1.00 0.00 ATOM 907 O GLY 123 14.504 45.290 13.200 1.00 0.00 ATOM 908 C GLY 123 14.918 46.145 12.390 1.00 0.00 ATOM 909 N ARG 124 14.275 47.301 12.188 1.00 0.00 ATOM 910 CA ARG 124 13.068 47.621 12.974 1.00 0.00 ATOM 911 CB ARG 124 12.726 49.128 12.967 1.00 0.00 ATOM 912 CG ARG 124 13.730 50.041 13.686 1.00 0.00 ATOM 913 CD ARG 124 13.149 51.468 13.856 1.00 0.00 ATOM 914 NE ARG 124 14.009 52.316 14.692 1.00 0.00 ATOM 915 CZ ARG 124 13.941 52.353 16.024 1.00 0.00 ATOM 916 NH1 ARG 124 13.046 51.629 16.673 1.00 0.00 ATOM 917 NH2 ARG 124 14.730 53.156 16.713 1.00 0.00 ATOM 918 O ARG 124 10.968 46.520 13.374 1.00 0.00 ATOM 919 C ARG 124 11.864 46.796 12.548 1.00 0.00 ATOM 920 N HIS 125 11.814 46.370 11.288 1.00 0.00 ATOM 921 CA HIS 125 10.743 45.451 10.868 1.00 0.00 ATOM 922 CB HIS 125 10.734 45.223 9.361 1.00 0.00 ATOM 923 CG HIS 125 9.520 44.481 8.890 1.00 0.00 ATOM 924 CD2 HIS 125 9.387 43.262 8.330 1.00 0.00 ATOM 925 ND1 HIS 125 8.243 44.989 9.025 1.00 0.00 ATOM 926 CE1 HIS 125 7.385 44.114 8.540 1.00 0.00 ATOM 927 NE2 HIS 125 8.050 43.057 8.113 1.00 0.00 ATOM 928 O HIS 125 9.935 43.502 12.051 1.00 0.00 ATOM 929 C HIS 125 10.899 44.092 11.584 1.00 0.00 ATOM 930 N LYS 126 12.127 43.613 11.701 1.00 0.00 ATOM 931 CA LYS 126 12.341 42.409 12.495 1.00 0.00 ATOM 932 CB LYS 126 13.852 42.103 12.547 1.00 0.00 ATOM 933 CG LYS 126 14.470 41.600 11.254 1.00 0.00 ATOM 934 CD LYS 126 16.020 41.412 11.379 1.00 0.00 ATOM 935 CE LYS 126 16.646 40.990 10.080 1.00 0.00 ATOM 936 NZ LYS 126 18.159 40.771 10.267 1.00 0.00 ATOM 937 O LYS 126 11.303 41.600 14.553 1.00 0.00 ATOM 938 C LYS 126 11.804 42.555 13.963 1.00 0.00 ATOM 939 N LEU 127 12.013 43.722 14.574 1.00 0.00 ATOM 940 CA LEU 127 11.640 43.972 15.969 1.00 0.00 ATOM 941 CB LEU 127 12.346 45.237 16.499 1.00 0.00 ATOM 942 CG LEU 127 13.885 45.264 16.584 1.00 0.00 ATOM 943 CD1 LEU 127 14.231 46.682 16.924 1.00 0.00 ATOM 944 CD2 LEU 127 14.390 44.336 17.610 1.00 0.00 ATOM 945 O LEU 127 9.493 43.741 17.054 1.00 0.00 ATOM 946 C LEU 127 10.122 44.153 16.075 1.00 0.00 ATOM 947 N LYS 128 9.530 44.728 15.038 1.00 0.00 ATOM 948 CA LYS 128 8.066 44.970 15.001 1.00 0.00 ATOM 949 CB LYS 128 7.728 45.842 13.784 1.00 0.00 ATOM 950 CG LYS 128 7.878 47.352 13.978 1.00 0.00 ATOM 951 CD LYS 128 7.272 48.138 12.808 1.00 0.00 ATOM 952 CE LYS 128 7.813 49.599 12.735 1.00 0.00 ATOM 953 NZ LYS 128 6.808 50.636 13.169 1.00 0.00 ATOM 954 O LYS 128 6.030 43.639 15.438 1.00 0.00 ATOM 955 C LYS 128 7.203 43.703 14.913 1.00 0.00 ATOM 956 N LEU 129 7.698 42.716 14.180 1.00 0.00 ATOM 957 CA LEU 129 6.952 41.449 14.030 1.00 0.00 ATOM 958 CB LEU 129 7.667 40.482 13.081 1.00 0.00 ATOM 959 CG LEU 129 7.610 40.936 11.628 1.00 0.00 ATOM 960 CD1 LEU 129 8.514 40.144 10.746 1.00 0.00 ATOM 961 CD2 LEU 129 6.176 40.854 11.101 1.00 0.00 ATOM 962 O LEU 129 5.461 40.684 15.696 1.00 0.00 ATOM 963 C LEU 129 6.614 40.845 15.390 1.00 0.00 ATOM 964 N PRO 130 7.611 40.582 16.249 1.00 0.00 ATOM 965 CA PRO 130 7.286 40.159 17.617 1.00 0.00 ATOM 966 CB PRO 130 8.578 39.460 18.061 1.00 0.00 ATOM 967 CG PRO 130 9.610 40.196 17.366 1.00 0.00 ATOM 968 CD PRO 130 9.058 40.582 16.031 1.00 0.00 ATOM 969 O PRO 130 6.658 41.002 19.792 1.00 0.00 ATOM 970 C PRO 130 6.892 41.277 18.616 1.00 0.00 ATOM 971 N GLY 131 6.790 42.519 18.165 1.00 0.00 ATOM 972 CA GLY 131 6.264 43.589 19.010 1.00 0.00 ATOM 973 O GLY 131 6.730 44.363 21.223 1.00 0.00 ATOM 974 C GLY 131 7.190 44.098 20.094 1.00 0.00 ATOM 975 N ILE 132 8.484 44.214 19.766 1.00 0.00 ATOM 976 CA ILE 132 9.449 44.793 20.683 1.00 0.00 ATOM 977 CB ILE 132 10.520 43.759 21.184 1.00 0.00 ATOM 978 CG1 ILE 132 11.296 43.163 20.026 1.00 0.00 ATOM 979 CG2 ILE 132 9.865 42.637 21.984 1.00 0.00 ATOM 980 CD1 ILE 132 12.559 42.538 20.474 1.00 0.00 ATOM 981 O ILE 132 11.202 46.419 20.622 1.00 0.00 ATOM 982 C ILE 132 10.182 46.007 20.095 1.00 0.00 ATOM 983 N ASP 133 9.679 46.567 19.003 1.00 0.00 ATOM 984 CA ASP 133 10.303 47.765 18.401 1.00 0.00 ATOM 985 CB ASP 133 9.749 47.977 16.986 1.00 0.00 ATOM 986 CG ASP 133 10.288 49.235 16.310 1.00 0.00 ATOM 987 OD1 ASP 133 11.497 49.286 16.038 1.00 0.00 ATOM 988 OD2 ASP 133 9.506 50.168 16.040 1.00 0.00 ATOM 989 O ASP 133 10.928 49.896 19.358 1.00 0.00 ATOM 990 C ASP 133 10.068 48.999 19.270 1.00 0.00 ATOM 991 N HIS 134 8.878 49.057 19.877 1.00 0.00 ATOM 992 CA HIS 134 8.417 50.197 20.684 1.00 0.00 ATOM 993 CB HIS 134 6.973 49.933 21.160 1.00 0.00 ATOM 994 CG HIS 134 6.865 48.808 22.139 1.00 0.00 ATOM 995 CD2 HIS 134 6.640 47.482 21.961 1.00 0.00 ATOM 996 ND1 HIS 134 7.073 48.985 23.488 1.00 0.00 ATOM 997 CE1 HIS 134 6.976 47.819 24.102 1.00 0.00 ATOM 998 NE2 HIS 134 6.735 46.888 23.194 1.00 0.00 ATOM 999 O HIS 134 9.445 51.702 22.313 1.00 0.00 ATOM 1000 C HIS 134 9.387 50.546 21.852 1.00 0.00 ATOM 1001 N TYR 135 10.199 49.589 22.283 1.00 0.00 ATOM 1002 CA TYR 135 11.165 49.840 23.346 1.00 0.00 ATOM 1003 CB TYR 135 11.790 48.525 23.834 1.00 0.00 ATOM 1004 CG TYR 135 10.849 47.593 24.517 1.00 0.00 ATOM 1005 CD1 TYR 135 10.372 47.862 25.802 1.00 0.00 ATOM 1006 CD2 TYR 135 10.416 46.427 23.882 1.00 0.00 ATOM 1007 CE1 TYR 135 9.485 46.992 26.418 1.00 0.00 ATOM 1008 CE2 TYR 135 9.549 45.561 24.497 1.00 0.00 ATOM 1009 CZ TYR 135 9.091 45.836 25.752 1.00 0.00 ATOM 1010 OH TYR 135 8.203 44.955 26.324 1.00 0.00 ATOM 1011 O TYR 135 13.049 51.278 23.804 1.00 0.00 ATOM 1012 C TYR 135 12.337 50.761 22.941 1.00 0.00 ATOM 1013 N PHE 136 12.573 50.933 21.652 1.00 0.00 ATOM 1014 CA PHE 136 13.815 51.552 21.183 1.00 0.00 ATOM 1015 CB PHE 136 14.538 50.585 20.273 1.00 0.00 ATOM 1016 CG PHE 136 14.913 49.300 20.946 1.00 0.00 ATOM 1017 CD1 PHE 136 16.016 49.244 21.787 1.00 0.00 ATOM 1018 CD2 PHE 136 14.162 48.149 20.742 1.00 0.00 ATOM 1019 CE1 PHE 136 16.368 48.061 22.410 1.00 0.00 ATOM 1020 CE2 PHE 136 14.497 46.959 21.359 1.00 0.00 ATOM 1021 CZ PHE 136 15.622 46.909 22.192 1.00 0.00 ATOM 1022 O PHE 136 13.274 52.932 19.264 1.00 0.00 ATOM 1023 C PHE 136 13.584 52.900 20.456 1.00 0.00 ATOM 1024 N PRO 137 13.749 54.022 21.176 1.00 0.00 ATOM 1025 CA PRO 137 13.466 55.328 20.606 1.00 0.00 ATOM 1026 CB PRO 137 13.414 56.230 21.858 1.00 0.00 ATOM 1027 CG PRO 137 14.364 55.600 22.788 1.00 0.00 ATOM 1028 CD PRO 137 14.243 54.123 22.558 1.00 0.00 ATOM 1029 O PRO 137 14.202 56.794 18.884 1.00 0.00 ATOM 1030 C PRO 137 14.491 55.839 19.586 1.00 0.00 ATOM 1031 N PHE 138 15.689 55.237 19.516 1.00 0.00 ATOM 1032 CA PHE 138 16.711 55.688 18.584 1.00 0.00 ATOM 1033 CB PHE 138 17.431 56.955 19.116 1.00 0.00 ATOM 1034 CG PHE 138 18.502 56.661 20.121 1.00 0.00 ATOM 1035 CD1 PHE 138 18.178 56.183 21.359 1.00 0.00 ATOM 1036 CD2 PHE 138 19.843 56.802 19.801 1.00 0.00 ATOM 1037 CE1 PHE 138 19.151 55.868 22.280 1.00 0.00 ATOM 1038 CE2 PHE 138 20.820 56.482 20.724 1.00 0.00 ATOM 1039 CZ PHE 138 20.486 56.029 21.945 1.00 0.00 ATOM 1040 O PHE 138 17.652 53.572 19.127 1.00 0.00 ATOM 1041 C PHE 138 17.723 54.582 18.417 1.00 0.00 ATOM 1042 N GLY 139 18.714 54.768 17.538 1.00 0.00 ATOM 1043 CA GLY 139 19.833 53.835 17.487 1.00 0.00 ATOM 1044 O GLY 139 20.822 55.402 15.987 1.00 0.00 ATOM 1045 C GLY 139 20.902 54.282 16.508 1.00 0.00 ATOM 1046 N ALA 140 21.956 53.471 16.332 1.00 0.00 ATOM 1047 CA ALA 140 22.823 53.599 15.212 1.00 0.00 ATOM 1048 CB ALA 140 24.258 53.847 15.655 1.00 0.00 ATOM 1049 O ALA 140 22.612 51.193 14.974 1.00 0.00 ATOM 1050 C ALA 140 22.713 52.307 14.397 1.00 0.00 ATOM 1051 N PHE 141 22.720 52.465 13.066 1.00 0.00 ATOM 1052 CA PHE 141 22.364 51.409 12.106 1.00 0.00 ATOM 1053 CB PHE 141 20.940 51.635 11.603 1.00 0.00 ATOM 1054 CG PHE 141 19.923 51.873 12.687 1.00 0.00 ATOM 1055 CD1 PHE 141 19.225 50.815 13.237 1.00 0.00 ATOM 1056 CD2 PHE 141 19.628 53.168 13.125 1.00 0.00 ATOM 1057 CE1 PHE 141 18.255 51.040 14.251 1.00 0.00 ATOM 1058 CE2 PHE 141 18.642 53.394 14.134 1.00 0.00 ATOM 1059 CZ PHE 141 17.995 52.319 14.695 1.00 0.00 ATOM 1060 O PHE 141 24.228 52.173 10.732 1.00 0.00 ATOM 1061 C PHE 141 23.305 51.338 10.901 1.00 0.00 ATOM 1062 N ALA 142 23.072 50.357 10.022 1.00 0.00 ATOM 1063 CA ALA 142 23.883 50.219 8.794 1.00 0.00 ATOM 1064 CB ALA 142 23.619 48.900 8.085 1.00 0.00 ATOM 1065 O ALA 142 24.491 51.574 6.903 1.00 0.00 ATOM 1066 C ALA 142 23.691 51.383 7.821 1.00 0.00 ATOM 1067 N ASP 143 22.643 52.167 8.010 1.00 0.00 ATOM 1068 CA ASP 143 22.526 53.414 7.250 1.00 0.00 ATOM 1069 CB ASP 143 21.188 54.055 7.507 1.00 0.00 ATOM 1070 CG ASP 143 20.074 53.038 7.527 1.00 0.00 ATOM 1071 OD1 ASP 143 19.977 52.349 8.548 1.00 0.00 ATOM 1072 OD2 ASP 143 19.309 52.911 6.546 1.00 0.00 ATOM 1073 O ASP 143 23.960 55.274 6.762 1.00 0.00 ATOM 1074 C ASP 143 23.652 54.393 7.563 1.00 0.00 ATOM 1075 N ASP 144 24.279 54.220 8.715 1.00 0.00 ATOM 1076 CA ASP 144 25.225 55.208 9.240 1.00 0.00 ATOM 1077 CB ASP 144 25.042 55.322 10.752 1.00 0.00 ATOM 1078 CG ASP 144 23.648 55.780 11.141 1.00 0.00 ATOM 1079 OD1 ASP 144 23.154 56.731 10.513 1.00 0.00 ATOM 1080 OD2 ASP 144 23.041 55.203 12.076 1.00 0.00 ATOM 1081 O ASP 144 27.509 55.852 8.983 1.00 0.00 ATOM 1082 C ASP 144 26.687 54.931 8.941 1.00 0.00 ATOM 1083 N ALA 145 27.022 53.673 8.671 1.00 0.00 ATOM 1084 CA ALA 145 28.403 53.298 8.390 1.00 0.00 ATOM 1085 CB ALA 145 29.241 53.421 9.650 1.00 0.00 ATOM 1086 O ALA 145 27.697 51.044 8.060 1.00 0.00 ATOM 1087 C ALA 145 28.543 51.889 7.843 1.00 0.00 ATOM 1088 N LEU 146 29.673 51.644 7.174 1.00 0.00 ATOM 1089 CA LEU 146 30.037 50.304 6.725 1.00 0.00 ATOM 1090 CB LEU 146 30.874 50.373 5.429 1.00 0.00 ATOM 1091 CG LEU 146 30.227 50.975 4.167 1.00 0.00 ATOM 1092 CD1 LEU 146 31.291 51.168 3.080 1.00 0.00 ATOM 1093 CD2 LEU 146 29.094 50.130 3.629 1.00 0.00 ATOM 1094 O LEU 146 30.889 48.363 7.824 1.00 0.00 ATOM 1095 C LEU 146 30.841 49.579 7.810 1.00 0.00 ATOM 1096 N ASP 147 31.465 50.344 8.714 1.00 0.00 ATOM 1097 CA ASP 147 32.306 49.802 9.784 1.00 0.00 ATOM 1098 CB ASP 147 33.607 50.575 9.810 1.00 0.00 ATOM 1099 CG ASP 147 34.528 50.152 10.948 1.00 0.00 ATOM 1100 OD1 ASP 147 34.163 49.241 11.726 1.00 0.00 ATOM 1101 OD2 ASP 147 35.640 50.729 11.030 1.00 0.00 ATOM 1102 O ASP 147 31.259 51.067 11.546 1.00 0.00 ATOM 1103 C ASP 147 31.615 49.940 11.138 1.00 0.00 ATOM 1104 N ARG 148 31.434 48.807 11.824 1.00 0.00 ATOM 1105 CA ARG 148 30.640 48.746 13.080 1.00 0.00 ATOM 1106 CB ARG 148 30.538 47.317 13.663 1.00 0.00 ATOM 1107 CG ARG 148 29.377 47.177 14.669 1.00 0.00 ATOM 1108 CD ARG 148 29.319 45.849 15.392 1.00 0.00 ATOM 1109 NE ARG 148 28.087 45.850 16.152 1.00 0.00 ATOM 1110 CZ ARG 148 26.986 45.254 15.758 1.00 0.00 ATOM 1111 NH1 ARG 148 26.983 44.525 14.653 1.00 0.00 ATOM 1112 NH2 ARG 148 25.890 45.344 16.497 1.00 0.00 ATOM 1113 O ARG 148 30.575 50.193 14.997 1.00 0.00 ATOM 1114 C ARG 148 31.253 49.671 14.126 1.00 0.00 ATOM 1115 N ASN 149 32.559 49.870 14.014 1.00 0.00 ATOM 1116 CA ASN 149 33.316 50.690 14.980 1.00 0.00 ATOM 1117 CB ASN 149 34.802 50.379 14.867 1.00 0.00 ATOM 1118 CG ASN 149 35.123 48.972 15.323 1.00 0.00 ATOM 1119 ND2 ASN 149 36.285 48.480 14.922 1.00 0.00 ATOM 1120 OD1 ASN 149 34.331 48.332 16.027 1.00 0.00 ATOM 1121 O ASN 149 33.524 52.899 15.831 1.00 0.00 ATOM 1122 C ASN 149 33.093 52.190 14.919 1.00 0.00 ATOM 1123 N GLU 150 32.413 52.666 13.876 1.00 0.00 ATOM 1124 CA GLU 150 31.913 54.047 13.824 1.00 0.00 ATOM 1125 CB GLU 150 31.709 54.471 12.366 1.00 0.00 ATOM 1126 CG GLU 150 33.012 54.454 11.552 1.00 0.00 ATOM 1127 CD GLU 150 32.815 54.847 10.092 1.00 0.00 ATOM 1128 OE1 GLU 150 31.920 55.697 9.792 1.00 0.00 ATOM 1129 OE2 GLU 150 33.566 54.295 9.237 1.00 0.00 ATOM 1130 O GLU 150 30.323 55.337 15.090 1.00 0.00 ATOM 1131 C GLU 150 30.600 54.237 14.604 1.00 0.00 ATOM 1132 N LEU 151 29.816 53.167 14.748 1.00 0.00 ATOM 1133 CA LEU 151 28.471 53.250 15.351 1.00 0.00 ATOM 1134 CB LEU 151 27.747 51.917 15.186 1.00 0.00 ATOM 1135 CG LEU 151 27.341 51.443 13.780 1.00 0.00 ATOM 1136 CD1 LEU 151 26.182 50.457 13.872 1.00 0.00 ATOM 1137 CD2 LEU 151 27.019 52.578 12.839 1.00 0.00 ATOM 1138 O LEU 151 27.424 54.476 17.130 1.00 0.00 ATOM 1139 C LEU 151 28.342 53.723 16.818 1.00 0.00 ATOM 1140 N PRO 152 29.233 53.282 17.727 1.00 0.00 ATOM 1141 CA PRO 152 29.129 53.705 19.128 1.00 0.00 ATOM 1142 CB PRO 152 30.364 53.074 19.782 1.00 0.00 ATOM 1143 CG PRO 152 30.763 52.014 18.890 1.00 0.00 ATOM 1144 CD PRO 152 30.392 52.408 17.516 1.00 0.00 ATOM 1145 O PRO 152 28.492 55.805 20.043 1.00 0.00 ATOM 1146 C PRO 152 29.206 55.227 19.269 1.00 0.00 ATOM 1147 N HIS 153 30.107 55.850 18.523 1.00 0.00 ATOM 1148 CA HIS 153 30.255 57.295 18.554 1.00 0.00 ATOM 1149 CB HIS 153 31.387 57.723 17.658 1.00 0.00 ATOM 1150 CG HIS 153 32.698 57.116 18.014 1.00 0.00 ATOM 1151 CD2 HIS 153 33.445 56.178 17.382 1.00 0.00 ATOM 1152 ND1 HIS 153 33.405 57.477 19.140 1.00 0.00 ATOM 1153 CE1 HIS 153 34.533 56.794 19.186 1.00 0.00 ATOM 1154 NE2 HIS 153 34.592 56.008 18.122 1.00 0.00 ATOM 1155 O HIS 153 28.497 58.853 18.813 1.00 0.00 ATOM 1156 C HIS 153 28.982 57.975 18.129 1.00 0.00 ATOM 1157 N ILE 154 28.425 57.515 17.020 1.00 0.00 ATOM 1158 CA ILE 154 27.182 58.040 16.476 1.00 0.00 ATOM 1159 CB ILE 154 26.844 57.347 15.121 1.00 0.00 ATOM 1160 CG1 ILE 154 27.831 57.790 14.046 1.00 0.00 ATOM 1161 CG2 ILE 154 25.344 57.580 14.703 1.00 0.00 ATOM 1162 CD1 ILE 154 27.696 57.040 12.730 1.00 0.00 ATOM 1163 O ILE 154 25.279 58.832 17.708 1.00 0.00 ATOM 1164 C ILE 154 26.015 57.883 17.460 1.00 0.00 ATOM 1165 N ALA 155 25.850 56.682 18.016 1.00 0.00 ATOM 1166 CA ALA 155 24.845 56.450 19.048 1.00 0.00 ATOM 1167 CB ALA 155 24.795 54.989 19.434 1.00 0.00 ATOM 1168 O ALA 155 24.138 57.828 20.816 1.00 0.00 ATOM 1169 C ALA 155 25.079 57.306 20.282 1.00 0.00 ATOM 1170 N LEU 156 26.325 57.452 20.744 1.00 0.00 ATOM 1171 CA LEU 156 26.581 58.304 21.915 1.00 0.00 ATOM 1172 CB LEU 156 28.053 58.218 22.316 1.00 0.00 ATOM 1173 CG LEU 156 28.429 59.066 23.524 1.00 0.00 ATOM 1174 CD1 LEU 156 27.600 58.718 24.745 1.00 0.00 ATOM 1175 CD2 LEU 156 29.897 58.881 23.798 1.00 0.00 ATOM 1176 O LEU 156 25.461 60.395 22.492 1.00 0.00 ATOM 1177 C LEU 156 26.152 59.776 21.669 1.00 0.00 ATOM 1178 N GLU 157 26.515 60.315 20.510 1.00 0.00 ATOM 1179 CA GLU 157 26.133 61.680 20.135 1.00 0.00 ATOM 1180 CB GLU 157 26.731 62.042 18.802 1.00 0.00 ATOM 1181 CG GLU 157 26.673 63.500 18.468 1.00 0.00 ATOM 1182 CD GLU 157 27.486 63.816 17.239 1.00 0.00 ATOM 1183 OE1 GLU 157 27.143 63.285 16.162 1.00 0.00 ATOM 1184 OE2 GLU 157 28.513 64.545 17.367 1.00 0.00 ATOM 1185 O GLU 157 24.095 62.846 20.605 1.00 0.00 ATOM 1186 C GLU 157 24.621 61.853 20.095 1.00 0.00 ATOM 1187 N ARG 158 23.939 60.896 19.489 1.00 0.00 ATOM 1188 CA ARG 158 22.476 60.936 19.414 1.00 0.00 ATOM 1189 CB ARG 158 21.943 59.810 18.506 1.00 0.00 ATOM 1190 CG ARG 158 22.257 60.054 17.044 1.00 0.00 ATOM 1191 CD ARG 158 21.768 58.921 16.117 1.00 0.00 ATOM 1192 NE ARG 158 22.185 59.223 14.750 1.00 0.00 ATOM 1193 CZ ARG 158 22.271 58.350 13.756 1.00 0.00 ATOM 1194 NH1 ARG 158 21.914 57.077 13.922 1.00 0.00 ATOM 1195 NH2 ARG 158 22.736 58.772 12.579 1.00 0.00 ATOM 1196 O ARG 158 20.846 61.550 21.052 1.00 0.00 ATOM 1197 C ARG 158 21.832 60.867 20.789 1.00 0.00 ATOM 1198 N ALA 159 22.355 60.018 21.661 1.00 0.00 ATOM 1199 CA ALA 159 21.781 59.866 23.001 1.00 0.00 ATOM 1200 CB ALA 159 22.471 58.714 23.726 1.00 0.00 ATOM 1201 O ALA 159 21.009 61.662 24.433 1.00 0.00 ATOM 1202 C ALA 159 21.936 61.186 23.787 1.00 0.00 ATOM 1203 N ARG 160 23.127 61.760 23.719 1.00 0.00 ATOM 1204 CA ARG 160 23.448 63.022 24.404 1.00 0.00 ATOM 1205 CB ARG 160 24.935 63.295 24.188 1.00 0.00 ATOM 1206 CG ARG 160 25.489 64.483 24.868 1.00 0.00 ATOM 1207 CD ARG 160 27.020 64.575 24.697 1.00 0.00 ATOM 1208 NE ARG 160 27.489 65.922 24.999 1.00 0.00 ATOM 1209 CZ ARG 160 28.755 66.261 25.246 1.00 0.00 ATOM 1210 NH1 ARG 160 29.726 65.358 25.201 1.00 0.00 ATOM 1211 NH2 ARG 160 29.051 67.528 25.540 1.00 0.00 ATOM 1212 O ARG 160 22.083 64.997 24.737 1.00 0.00 ATOM 1213 C ARG 160 22.546 64.193 23.928 1.00 0.00 ATOM 1214 N ARG 161 22.268 64.253 22.628 1.00 0.00 ATOM 1215 CA ARG 161 21.404 65.275 22.061 1.00 0.00 ATOM 1216 CB ARG 161 21.515 65.286 20.538 1.00 0.00 ATOM 1217 CG ARG 161 22.797 65.896 20.035 1.00 0.00 ATOM 1218 CD ARG 161 22.932 65.645 18.578 1.00 0.00 ATOM 1219 NE ARG 161 24.136 66.250 18.042 1.00 0.00 ATOM 1220 CZ ARG 161 24.620 66.015 16.824 1.00 0.00 ATOM 1221 NH1 ARG 161 24.028 65.174 15.984 1.00 0.00 ATOM 1222 NH2 ARG 161 25.704 66.639 16.443 1.00 0.00 ATOM 1223 O ARG 161 19.167 66.006 22.582 1.00 0.00 ATOM 1224 C ARG 161 19.947 65.062 22.494 1.00 0.00 ATOM 1225 N MET 162 19.596 63.821 22.795 1.00 0.00 ATOM 1226 CA MET 162 18.242 63.503 23.235 1.00 0.00 ATOM 1227 CB MET 162 17.949 62.022 23.023 1.00 0.00 ATOM 1228 CG MET 162 17.883 61.657 21.608 1.00 0.00 ATOM 1229 SD MET 162 17.630 59.749 21.429 1.00 0.00 ATOM 1230 CE MET 162 15.990 59.638 22.277 1.00 0.00 ATOM 1231 O MET 162 16.933 64.312 25.014 1.00 0.00 ATOM 1232 C MET 162 17.988 63.815 24.686 1.00 0.00 ATOM 1233 N THR 163 18.938 63.479 25.555 1.00 0.00 ATOM 1234 CA THR 163 18.727 63.573 26.992 1.00 0.00 ATOM 1235 CB THR 163 19.141 62.273 27.710 1.00 0.00 ATOM 1236 CG2 THR 163 18.379 61.061 27.202 1.00 0.00 ATOM 1237 OG1 THR 163 20.544 62.060 27.541 1.00 0.00 ATOM 1238 O THR 163 19.171 65.134 28.758 1.00 0.00 ATOM 1239 C THR 163 19.504 64.722 27.653 1.00 0.00 ATOM 1240 N GLY 164 20.543 65.225 26.991 1.00 0.00 ATOM 1241 CA GLY 164 21.479 66.148 27.624 1.00 0.00 ATOM 1242 O GLY 164 23.214 66.114 29.273 1.00 0.00 ATOM 1243 C GLY 164 22.425 65.464 28.592 1.00 0.00 ATOM 1244 N ALA 165 22.353 64.137 28.665 1.00 0.00 ATOM 1245 CA ALA 165 23.234 63.370 29.538 1.00 0.00 ATOM 1246 CB ALA 165 22.616 61.979 29.815 1.00 0.00 ATOM 1247 O ALA 165 24.690 62.825 27.742 1.00 0.00 ATOM 1248 C ALA 165 24.595 63.216 28.890 1.00 0.00 ATOM 1249 N ASN 166 25.653 63.479 29.638 1.00 0.00 ATOM 1250 CA ASN 166 27.004 63.241 29.150 1.00 0.00 ATOM 1251 CB ASN 166 27.931 64.389 29.584 1.00 0.00 ATOM 1252 CG ASN 166 29.333 64.285 28.977 1.00 0.00 ATOM 1253 ND2 ASN 166 30.327 64.029 29.835 1.00 0.00 ATOM 1254 OD1 ASN 166 29.520 64.441 27.762 1.00 0.00 ATOM 1255 O ASN 166 28.157 61.887 30.743 1.00 0.00 ATOM 1256 C ASN 166 27.468 61.913 29.722 1.00 0.00 ATOM 1257 N TYR 167 27.064 60.810 29.092 1.00 0.00 ATOM 1258 CA TYR 167 27.345 59.469 29.632 1.00 0.00 ATOM 1259 CB TYR 167 26.713 58.377 28.760 1.00 0.00 ATOM 1260 CG TYR 167 25.214 58.480 28.722 1.00 0.00 ATOM 1261 CD1 TYR 167 24.440 57.953 29.736 1.00 0.00 ATOM 1262 CD2 TYR 167 24.579 59.137 27.683 1.00 0.00 ATOM 1263 CE1 TYR 167 23.055 58.079 29.721 1.00 0.00 ATOM 1264 CE2 TYR 167 23.206 59.266 27.652 1.00 0.00 ATOM 1265 CZ TYR 167 22.449 58.737 28.662 1.00 0.00 ATOM 1266 OH TYR 167 21.076 58.869 28.602 1.00 0.00 ATOM 1267 O TYR 167 29.519 59.466 28.710 1.00 0.00 ATOM 1268 C TYR 167 28.829 59.248 29.700 1.00 0.00 ATOM 1269 N SER 168 29.323 58.834 30.864 1.00 0.00 ATOM 1270 CA SER 168 30.723 58.435 31.003 1.00 0.00 ATOM 1271 CB SER 168 31.196 58.637 32.442 1.00 0.00 ATOM 1272 OG SER 168 30.804 57.550 33.262 1.00 0.00 ATOM 1273 O SER 168 29.849 56.251 30.538 1.00 0.00 ATOM 1274 C SER 168 30.856 56.968 30.594 1.00 0.00 ATOM 1275 N PRO 169 32.084 56.502 30.334 1.00 0.00 ATOM 1276 CA PRO 169 32.287 55.126 29.879 1.00 0.00 ATOM 1277 CB PRO 169 33.812 54.968 29.939 1.00 0.00 ATOM 1278 CG PRO 169 34.324 56.343 29.715 1.00 0.00 ATOM 1279 CD PRO 169 33.374 57.213 30.469 1.00 0.00 ATOM 1280 O PRO 169 30.948 53.158 30.183 1.00 0.00 ATOM 1281 C PRO 169 31.582 54.061 30.736 1.00 0.00 ATOM 1282 N SER 170 31.634 54.191 32.064 1.00 0.00 ATOM 1283 CA SER 170 31.027 53.196 32.945 1.00 0.00 ATOM 1284 CB SER 170 31.457 53.393 34.389 1.00 0.00 ATOM 1285 OG SER 170 31.128 54.698 34.850 1.00 0.00 ATOM 1286 O SER 170 28.888 52.342 33.431 1.00 0.00 ATOM 1287 C SER 170 29.526 53.254 32.916 1.00 0.00 ATOM 1288 N GLN 171 28.981 54.337 32.366 1.00 0.00 ATOM 1289 CA GLN 171 27.519 54.486 32.183 1.00 0.00 ATOM 1290 CB GLN 171 27.125 55.956 32.378 1.00 0.00 ATOM 1291 CG GLN 171 27.222 56.435 33.797 1.00 0.00 ATOM 1292 CD GLN 171 27.046 57.946 33.921 1.00 0.00 ATOM 1293 OE1 GLN 171 27.322 58.703 32.996 1.00 0.00 ATOM 1294 NE2 GLN 171 26.602 58.384 35.082 1.00 0.00 ATOM 1295 O GLN 171 25.804 54.103 30.549 1.00 0.00 ATOM 1296 C GLN 171 26.986 54.001 30.822 1.00 0.00 ATOM 1297 N ILE 172 27.864 53.488 29.971 1.00 0.00 ATOM 1298 CA ILE 172 27.470 53.026 28.649 1.00 0.00 ATOM 1299 CB ILE 172 28.313 53.668 27.528 1.00 0.00 ATOM 1300 CG1 ILE 172 28.291 55.206 27.647 1.00 0.00 ATOM 1301 CG2 ILE 172 27.790 53.188 26.135 1.00 0.00 ATOM 1302 CD1 ILE 172 29.425 55.894 26.867 1.00 0.00 ATOM 1303 O ILE 172 28.696 50.975 28.866 1.00 0.00 ATOM 1304 C ILE 172 27.634 51.508 28.569 1.00 0.00 ATOM 1305 N VAL 173 26.565 50.836 28.165 1.00 0.00 ATOM 1306 CA VAL 173 26.536 49.374 28.095 1.00 0.00 ATOM 1307 CB VAL 173 25.535 48.784 29.125 1.00 0.00 ATOM 1308 CG1 VAL 173 25.485 47.272 29.037 1.00 0.00 ATOM 1309 CG2 VAL 173 25.911 49.217 30.525 1.00 0.00 ATOM 1310 O VAL 173 25.117 49.368 26.133 1.00 0.00 ATOM 1311 C VAL 173 26.158 48.954 26.674 1.00 0.00 ATOM 1312 N ILE 174 27.032 48.154 26.073 1.00 0.00 ATOM 1313 CA ILE 174 26.824 47.671 24.734 1.00 0.00 ATOM 1314 CB ILE 174 27.943 48.138 23.829 1.00 0.00 ATOM 1315 CG1 ILE 174 27.698 49.608 23.487 1.00 0.00 ATOM 1316 CG2 ILE 174 28.000 47.345 22.548 1.00 0.00 ATOM 1317 CD1 ILE 174 28.911 50.349 23.011 1.00 0.00 ATOM 1318 O ILE 174 27.576 45.447 25.179 1.00 0.00 ATOM 1319 C ILE 174 26.683 46.161 24.734 1.00 0.00 ATOM 1320 N ILE 175 25.546 45.689 24.225 1.00 0.00 ATOM 1321 CA ILE 175 25.170 44.280 24.335 1.00 0.00 ATOM 1322 CB ILE 175 23.830 44.135 25.099 1.00 0.00 ATOM 1323 CG1 ILE 175 23.961 44.735 26.501 1.00 0.00 ATOM 1324 CG2 ILE 175 23.387 42.674 25.173 1.00 0.00 ATOM 1325 CD1 ILE 175 22.629 45.100 27.160 1.00 0.00 ATOM 1326 O ILE 175 24.331 44.097 22.065 1.00 0.00 ATOM 1327 C ILE 175 25.060 43.608 22.959 1.00 0.00 ATOM 1328 N GLY 176 25.725 42.457 22.829 1.00 0.00 ATOM 1329 CA GLY 176 25.637 41.617 21.636 1.00 0.00 ATOM 1330 O GLY 176 26.683 39.826 22.822 1.00 0.00 ATOM 1331 C GLY 176 26.227 40.223 21.759 1.00 0.00 ATOM 1332 N ASP 177 26.263 39.508 20.632 1.00 0.00 ATOM 1333 CA ASP 177 26.559 38.071 20.573 1.00 0.00 ATOM 1334 CB ASP 177 25.358 37.337 19.967 1.00 0.00 ATOM 1335 CG ASP 177 25.177 37.641 18.460 1.00 0.00 ATOM 1336 OD1 ASP 177 24.987 38.841 18.148 1.00 0.00 ATOM 1337 OD2 ASP 177 25.210 36.681 17.620 1.00 0.00 ATOM 1338 O ASP 177 28.054 36.453 19.669 1.00 0.00 ATOM 1339 C ASP 177 27.825 37.657 19.817 1.00 0.00 ATOM 1340 N THR 178 28.633 38.628 19.347 1.00 0.00 ATOM 1341 CA THR 178 29.848 38.327 18.573 1.00 0.00 ATOM 1342 CB THR 178 29.671 38.579 17.041 1.00 0.00 ATOM 1343 CG2 THR 178 28.273 38.161 16.585 1.00 0.00 ATOM 1344 OG1 THR 178 29.904 39.975 16.747 1.00 0.00 ATOM 1345 O THR 178 30.912 40.138 19.736 1.00 0.00 ATOM 1346 C THR 178 31.031 39.159 18.993 1.00 0.00 ATOM 1347 N GLU 179 32.201 38.784 18.469 1.00 0.00 ATOM 1348 CA GLU 179 33.403 39.565 18.696 1.00 0.00 ATOM 1349 CB GLU 179 34.594 38.939 17.979 1.00 0.00 ATOM 1350 CG GLU 179 34.539 39.048 16.493 1.00 0.00 ATOM 1351 CD GLU 179 35.741 38.406 15.809 1.00 0.00 ATOM 1352 OE1 GLU 179 36.874 38.815 16.128 1.00 0.00 ATOM 1353 OE2 GLU 179 35.546 37.497 14.966 1.00 0.00 ATOM 1354 O GLU 179 33.900 41.904 18.754 1.00 0.00 ATOM 1355 C GLU 179 33.244 41.018 18.227 1.00 0.00 ATOM 1356 N HIS 180 32.370 41.255 17.245 1.00 0.00 ATOM 1357 CA HIS 180 32.221 42.598 16.677 1.00 0.00 ATOM 1358 CB HIS 180 31.500 42.524 15.340 1.00 0.00 ATOM 1359 CG HIS 180 32.148 41.582 14.379 1.00 0.00 ATOM 1360 CD2 HIS 180 31.684 40.477 13.760 1.00 0.00 ATOM 1361 ND1 HIS 180 33.478 41.699 14.016 1.00 0.00 ATOM 1362 CE1 HIS 180 33.783 40.729 13.174 1.00 0.00 ATOM 1363 NE2 HIS 180 32.708 39.982 12.990 1.00 0.00 ATOM 1364 O HIS 180 31.809 44.718 17.731 1.00 0.00 ATOM 1365 C HIS 180 31.505 43.529 17.651 1.00 0.00 ATOM 1366 N ASP 181 30.536 42.981 18.376 1.00 0.00 ATOM 1367 CA ASP 181 29.878 43.691 19.442 1.00 0.00 ATOM 1368 CB ASP 181 28.749 42.839 19.998 1.00 0.00 ATOM 1369 CG ASP 181 27.771 42.457 18.915 1.00 0.00 ATOM 1370 OD1 ASP 181 26.949 43.308 18.573 1.00 0.00 ATOM 1371 OD2 ASP 181 27.840 41.332 18.379 1.00 0.00 ATOM 1372 O ASP 181 30.968 45.226 20.949 1.00 0.00 ATOM 1373 C ASP 181 30.881 44.069 20.534 1.00 0.00 ATOM 1374 N ILE 182 31.652 43.099 20.961 1.00 0.00 ATOM 1375 CA ILE 182 32.573 43.340 22.035 1.00 0.00 ATOM 1376 CB ILE 182 33.316 42.027 22.436 1.00 0.00 ATOM 1377 CG1 ILE 182 32.330 41.016 23.021 1.00 0.00 ATOM 1378 CG2 ILE 182 34.377 42.326 23.478 1.00 0.00 ATOM 1379 CD1 ILE 182 32.844 39.602 23.084 1.00 0.00 ATOM 1380 O ILE 182 33.995 45.275 22.394 1.00 0.00 ATOM 1381 C ILE 182 33.587 44.402 21.607 1.00 0.00 ATOM 1382 N ARG 183 34.014 44.315 20.356 1.00 0.00 ATOM 1383 CA ARG 183 35.101 45.151 19.850 1.00 0.00 ATOM 1384 CB ARG 183 35.600 44.619 18.508 1.00 0.00 ATOM 1385 CG ARG 183 36.457 45.625 17.725 1.00 0.00 ATOM 1386 CD ARG 183 37.225 44.996 16.579 1.00 0.00 ATOM 1387 NE ARG 183 37.593 43.625 16.900 1.00 0.00 ATOM 1388 CZ ARG 183 37.085 42.540 16.317 1.00 0.00 ATOM 1389 NH1 ARG 183 36.211 42.620 15.301 1.00 0.00 ATOM 1390 NH2 ARG 183 37.477 41.361 16.751 1.00 0.00 ATOM 1391 O ARG 183 35.286 47.528 19.996 1.00 0.00 ATOM 1392 C ARG 183 34.605 46.581 19.684 1.00 0.00 ATOM 1393 N CYS 184 33.379 46.742 19.212 1.00 0.00 ATOM 1394 CA CYS 184 32.914 48.133 18.975 1.00 0.00 ATOM 1395 CB CYS 184 31.711 48.186 18.050 1.00 0.00 ATOM 1396 SG CYS 184 30.180 47.875 18.817 1.00 0.00 ATOM 1397 O CYS 184 32.880 50.129 20.335 1.00 0.00 ATOM 1398 C CYS 184 32.728 48.909 20.301 1.00 0.00 ATOM 1399 N ALA 185 32.477 48.191 21.394 1.00 0.00 ATOM 1400 CA ALA 185 32.358 48.802 22.717 1.00 0.00 ATOM 1401 CB ALA 185 31.910 47.778 23.729 1.00 0.00 ATOM 1402 O ALA 185 33.642 50.442 23.913 1.00 0.00 ATOM 1403 C ALA 185 33.655 49.456 23.177 1.00 0.00 ATOM 1404 N ARG 186 34.784 48.916 22.742 1.00 0.00 ATOM 1405 CA ARG 186 36.078 49.453 23.130 1.00 0.00 ATOM 1406 CB ARG 186 37.219 48.578 22.597 1.00 0.00 ATOM 1407 CG ARG 186 37.152 47.081 22.994 1.00 0.00 ATOM 1408 CD ARG 186 38.358 46.298 22.428 1.00 0.00 ATOM 1409 NE ARG 186 38.156 44.840 22.541 1.00 0.00 ATOM 1410 CZ ARG 186 38.557 43.924 21.650 1.00 0.00 ATOM 1411 NH1 ARG 186 39.222 44.251 20.532 1.00 0.00 ATOM 1412 NH2 ARG 186 38.309 42.646 21.899 1.00 0.00 ATOM 1413 O ARG 186 37.031 51.659 23.201 1.00 0.00 ATOM 1414 C ARG 186 36.269 50.887 22.617 1.00 0.00 ATOM 1415 N GLU 187 35.555 51.248 21.549 1.00 0.00 ATOM 1416 CA GLU 187 35.584 52.614 21.008 1.00 0.00 ATOM 1417 CB GLU 187 34.600 52.748 19.853 1.00 0.00 ATOM 1418 CG GLU 187 35.026 51.962 18.638 1.00 0.00 ATOM 1419 CD GLU 187 36.288 52.532 18.013 1.00 0.00 ATOM 1420 OE1 GLU 187 36.370 53.768 17.827 1.00 0.00 ATOM 1421 OE2 GLU 187 37.212 51.754 17.701 1.00 0.00 ATOM 1422 O GLU 187 35.847 54.764 21.999 1.00 0.00 ATOM 1423 C GLU 187 35.277 53.682 22.050 1.00 0.00 ATOM 1424 N LEU 188 34.399 53.367 22.998 1.00 0.00 ATOM 1425 CA LEU 188 34.003 54.337 24.009 1.00 0.00 ATOM 1426 CB LEU 188 32.490 54.394 24.057 1.00 0.00 ATOM 1427 CG LEU 188 31.729 54.750 22.778 1.00 0.00 ATOM 1428 CD1 LEU 188 30.258 54.745 23.138 1.00 0.00 ATOM 1429 CD2 LEU 188 32.160 56.098 22.210 1.00 0.00 ATOM 1430 O LEU 188 34.081 54.601 26.373 1.00 0.00 ATOM 1431 C LEU 188 34.496 53.968 25.394 1.00 0.00 ATOM 1432 N ASP 189 35.379 52.963 25.463 1.00 0.00 ATOM 1433 CA ASP 189 35.715 52.269 26.719 1.00 0.00 ATOM 1434 CB ASP 189 36.651 53.109 27.597 1.00 0.00 ATOM 1435 CG ASP 189 37.238 52.315 28.777 1.00 0.00 ATOM 1436 OD1 ASP 189 37.267 51.070 28.716 1.00 0.00 ATOM 1437 OD2 ASP 189 37.678 52.944 29.766 1.00 0.00 ATOM 1438 O ASP 189 34.363 51.981 28.705 1.00 0.00 ATOM 1439 C ASP 189 34.435 51.895 27.476 1.00 0.00 ATOM 1440 N ALA 190 33.425 51.452 26.735 1.00 0.00 ATOM 1441 CA ALA 190 32.131 51.132 27.342 1.00 0.00 ATOM 1442 CB ALA 190 31.051 51.225 26.322 1.00 0.00 ATOM 1443 O ALA 190 33.074 48.965 27.776 1.00 0.00 ATOM 1444 C ALA 190 32.135 49.743 27.975 1.00 0.00 ATOM 1445 N ARG 191 31.099 49.453 28.762 1.00 0.00 ATOM 1446 CA ARG 191 30.953 48.129 29.355 1.00 0.00 ATOM 1447 CB ARG 191 30.105 48.203 30.640 1.00 0.00 ATOM 1448 CG ARG 191 30.784 48.980 31.766 1.00 0.00 ATOM 1449 CD ARG 191 30.104 48.815 33.117 1.00 0.00 ATOM 1450 NE ARG 191 28.881 49.615 33.224 1.00 0.00 ATOM 1451 CZ ARG 191 27.657 49.150 33.448 1.00 0.00 ATOM 1452 NH1 ARG 191 27.398 47.848 33.562 1.00 0.00 ATOM 1453 NH2 ARG 191 26.665 50.024 33.534 1.00 0.00 ATOM 1454 O ARG 191 29.139 47.461 27.931 1.00 0.00 ATOM 1455 C ARG 191 30.285 47.216 28.327 1.00 0.00 ATOM 1456 N SER 192 30.981 46.169 27.906 1.00 0.00 ATOM 1457 CA SER 192 30.444 45.201 26.972 1.00 0.00 ATOM 1458 CB SER 192 31.492 44.708 25.981 1.00 0.00 ATOM 1459 OG SER 192 32.590 44.161 26.654 1.00 0.00 ATOM 1460 O SER 192 30.447 43.559 28.704 1.00 0.00 ATOM 1461 C SER 192 29.846 44.052 27.749 1.00 0.00 ATOM 1462 N ILE 193 28.619 43.675 27.375 1.00 0.00 ATOM 1463 CA ILE 193 28.018 42.446 27.863 1.00 0.00 ATOM 1464 CB ILE 193 26.681 42.687 28.612 1.00 0.00 ATOM 1465 CG1 ILE 193 26.875 43.482 29.914 1.00 0.00 ATOM 1466 CG2 ILE 193 25.966 41.360 28.905 1.00 0.00 ATOM 1467 CD1 ILE 193 25.530 44.073 30.423 1.00 0.00 ATOM 1468 O ILE 193 27.021 41.938 25.747 1.00 0.00 ATOM 1469 C ILE 193 27.774 41.566 26.638 1.00 0.00 ATOM 1470 N ALA 194 28.424 40.416 26.591 1.00 0.00 ATOM 1471 CA ALA 194 28.276 39.480 25.484 1.00 0.00 ATOM 1472 CB ALA 194 29.591 38.893 25.125 1.00 0.00 ATOM 1473 O ALA 194 27.350 38.010 27.128 1.00 0.00 ATOM 1474 C ALA 194 27.328 38.395 25.941 1.00 0.00 ATOM 1475 N VAL 195 26.504 37.909 25.009 1.00 0.00 ATOM 1476 CA VAL 195 25.567 36.828 25.270 1.00 0.00 ATOM 1477 CB VAL 195 24.113 37.390 25.359 1.00 0.00 ATOM 1478 CG1 VAL 195 23.722 38.075 24.094 1.00 0.00 ATOM 1479 CG2 VAL 195 23.142 36.296 25.754 1.00 0.00 ATOM 1480 O VAL 195 25.814 36.059 23.003 1.00 0.00 ATOM 1481 C VAL 195 25.758 35.756 24.197 1.00 0.00 ATOM 1482 N ALA 196 25.923 34.498 24.624 1.00 0.00 ATOM 1483 CA ALA 196 26.340 33.414 23.719 1.00 0.00 ATOM 1484 CB ALA 196 27.248 32.425 24.458 1.00 0.00 ATOM 1485 O ALA 196 25.057 31.483 23.049 1.00 0.00 ATOM 1486 C ALA 196 25.130 32.720 23.110 1.00 0.00 ATOM 1487 N THR 197 24.187 33.535 22.639 1.00 0.00 ATOM 1488 CA THR 197 22.956 33.053 22.005 1.00 0.00 ATOM 1489 CB THR 197 21.720 33.812 22.526 1.00 0.00 ATOM 1490 CG2 THR 197 21.378 33.357 23.909 1.00 0.00 ATOM 1491 OG1 THR 197 21.974 35.214 22.556 1.00 0.00 ATOM 1492 O THR 197 22.014 32.928 19.787 1.00 0.00 ATOM 1493 C THR 197 23.008 33.146 20.468 1.00 0.00 ATOM 1494 N GLY 198 24.192 33.432 19.913 1.00 0.00 ATOM 1495 CA GLY 198 24.355 33.405 18.471 1.00 0.00 ATOM 1496 O GLY 198 25.036 31.102 18.682 1.00 0.00 ATOM 1497 C GLY 198 25.159 32.199 18.072 1.00 0.00 ATOM 1498 N ASN 199 26.031 32.393 17.095 1.00 0.00 ATOM 1499 CA ASN 199 26.822 31.298 16.583 1.00 0.00 ATOM 1500 CB ASN 199 26.999 31.460 15.066 1.00 0.00 ATOM 1501 CG ASN 199 25.671 31.438 14.343 1.00 0.00 ATOM 1502 ND2 ASN 199 25.558 32.218 13.294 1.00 0.00 ATOM 1503 OD1 ASN 199 24.743 30.755 14.765 1.00 0.00 ATOM 1504 O ASN 199 28.926 30.241 16.889 1.00 0.00 ATOM 1505 C ASN 199 28.157 31.088 17.297 1.00 0.00 ATOM 1506 N PHE 200 28.396 31.807 18.396 1.00 0.00 ATOM 1507 CA PHE 200 29.716 31.750 19.091 1.00 0.00 ATOM 1508 CB PHE 200 30.466 33.066 18.975 1.00 0.00 ATOM 1509 CG PHE 200 30.566 33.530 17.569 1.00 0.00 ATOM 1510 CD1 PHE 200 31.558 33.019 16.726 1.00 0.00 ATOM 1511 CD2 PHE 200 29.592 34.378 17.044 1.00 0.00 ATOM 1512 CE1 PHE 200 31.587 33.379 15.386 1.00 0.00 ATOM 1513 CE2 PHE 200 29.629 34.748 15.723 1.00 0.00 ATOM 1514 CZ PHE 200 30.612 34.247 14.886 1.00 0.00 ATOM 1515 O PHE 200 28.646 31.903 21.221 1.00 0.00 ATOM 1516 C PHE 200 29.509 31.359 20.536 1.00 0.00 ATOM 1517 N THR 201 30.274 30.378 20.971 1.00 0.00 ATOM 1518 CA THR 201 30.156 29.856 22.334 1.00 0.00 ATOM 1519 CB THR 201 30.873 28.518 22.445 1.00 0.00 ATOM 1520 CG2 THR 201 30.310 27.526 21.433 1.00 0.00 ATOM 1521 OG1 THR 201 32.275 28.715 22.193 1.00 0.00 ATOM 1522 O THR 201 31.540 31.738 22.970 1.00 0.00 ATOM 1523 C THR 201 30.789 30.835 23.349 1.00 0.00 ATOM 1524 N MET 202 30.520 30.613 24.641 1.00 0.00 ATOM 1525 CA MET 202 31.171 31.376 25.708 1.00 0.00 ATOM 1526 CB MET 202 30.664 30.918 27.081 1.00 0.00 ATOM 1527 CG MET 202 29.190 31.178 27.240 1.00 0.00 ATOM 1528 SD MET 202 28.593 30.886 29.064 1.00 0.00 ATOM 1529 CE MET 202 28.856 29.001 29.078 1.00 0.00 ATOM 1530 O MET 202 33.396 32.225 25.744 1.00 0.00 ATOM 1531 C MET 202 32.674 31.244 25.594 1.00 0.00 ATOM 1532 N GLU 203 33.153 30.034 25.324 1.00 0.00 ATOM 1533 CA GLU 203 34.600 29.832 25.180 1.00 0.00 ATOM 1534 CB GLU 203 34.952 28.371 24.914 1.00 0.00 ATOM 1535 CG GLU 203 35.049 27.564 26.187 1.00 0.00 ATOM 1536 CD GLU 203 35.709 26.198 25.995 1.00 0.00 ATOM 1537 OE1 GLU 203 36.267 25.944 24.882 1.00 0.00 ATOM 1538 OE2 GLU 203 35.633 25.405 26.972 1.00 0.00 ATOM 1539 O GLU 203 36.210 31.257 24.206 1.00 0.00 ATOM 1540 C GLU 203 35.158 30.682 24.063 1.00 0.00 ATOM 1541 N GLU 204 34.437 30.754 22.952 1.00 0.00 ATOM 1542 CA GLU 204 34.877 31.575 21.833 1.00 0.00 ATOM 1543 CB GLU 204 33.984 31.312 20.606 1.00 0.00 ATOM 1544 CG GLU 204 34.346 30.021 19.915 1.00 0.00 ATOM 1545 CD GLU 204 33.386 29.637 18.806 1.00 0.00 ATOM 1546 OE1 GLU 204 32.137 29.734 18.956 1.00 0.00 ATOM 1547 OE2 GLU 204 33.898 29.199 17.764 1.00 0.00 ATOM 1548 O GLU 204 35.834 33.787 21.993 1.00 0.00 ATOM 1549 C GLU 204 34.856 33.073 22.194 1.00 0.00 ATOM 1550 N LEU 205 33.734 33.527 22.737 1.00 0.00 ATOM 1551 CA LEU 205 33.553 34.934 23.091 1.00 0.00 ATOM 1552 CB LEU 205 32.107 35.202 23.480 1.00 0.00 ATOM 1553 CG LEU 205 31.161 35.128 22.290 1.00 0.00 ATOM 1554 CD1 LEU 205 29.760 35.227 22.818 1.00 0.00 ATOM 1555 CD2 LEU 205 31.426 36.216 21.243 1.00 0.00 ATOM 1556 O LEU 205 34.843 36.606 24.190 1.00 0.00 ATOM 1557 C LEU 205 34.492 35.438 24.173 1.00 0.00 ATOM 1558 N ALA 206 34.936 34.545 25.050 1.00 0.00 ATOM 1559 CA ALA 206 35.727 34.917 26.185 1.00 0.00 ATOM 1560 CB ALA 206 35.801 33.731 27.156 1.00 0.00 ATOM 1561 O ALA 206 37.781 36.169 26.500 1.00 0.00 ATOM 1562 C ALA 206 37.140 35.397 25.781 1.00 0.00 ATOM 1563 N ARG 207 37.619 34.942 24.631 1.00 0.00 ATOM 1564 CA ARG 207 38.923 35.346 24.124 1.00 0.00 ATOM 1565 CB ARG 207 39.325 34.471 22.936 1.00 0.00 ATOM 1566 CG ARG 207 39.353 32.999 23.263 1.00 0.00 ATOM 1567 CD ARG 207 39.760 32.150 22.074 1.00 0.00 ATOM 1568 NE ARG 207 39.425 30.737 22.335 1.00 0.00 ATOM 1569 CZ ARG 207 38.830 29.903 21.477 1.00 0.00 ATOM 1570 NH1 ARG 207 38.515 30.282 20.232 1.00 0.00 ATOM 1571 NH2 ARG 207 38.555 28.665 21.873 1.00 0.00 ATOM 1572 O ARG 207 40.075 37.360 23.497 1.00 0.00 ATOM 1573 C ARG 207 38.984 36.823 23.703 1.00 0.00 ATOM 1574 N HIS 208 37.819 37.461 23.569 1.00 0.00 ATOM 1575 CA HIS 208 37.724 38.861 23.199 1.00 0.00 ATOM 1576 CB HIS 208 36.587 39.028 22.204 1.00 0.00 ATOM 1577 CG HIS 208 36.702 38.080 21.055 1.00 0.00 ATOM 1578 CD2 HIS 208 35.921 37.051 20.658 1.00 0.00 ATOM 1579 ND1 HIS 208 37.788 38.087 20.211 1.00 0.00 ATOM 1580 CE1 HIS 208 37.651 37.128 19.313 1.00 0.00 ATOM 1581 NE2 HIS 208 36.536 36.475 19.569 1.00 0.00 ATOM 1582 O HIS 208 37.421 40.977 24.231 1.00 0.00 ATOM 1583 C HIS 208 37.531 39.773 24.391 1.00 0.00 ATOM 1584 N LYS 209 37.496 39.189 25.586 1.00 0.00 ATOM 1585 CA LYS 209 37.538 39.922 26.848 1.00 0.00 ATOM 1586 CB LYS 209 38.824 40.743 26.957 1.00 0.00 ATOM 1587 CG LYS 209 40.100 39.994 26.682 1.00 0.00 ATOM 1588 CD LYS 209 40.346 38.905 27.718 1.00 0.00 ATOM 1589 CE LYS 209 41.792 38.429 27.666 1.00 0.00 ATOM 1590 NZ LYS 209 42.143 38.019 26.266 1.00 0.00 ATOM 1591 O LYS 209 36.483 42.027 27.344 1.00 0.00 ATOM 1592 C LYS 209 36.336 40.831 27.049 1.00 0.00 ATOM 1593 N PRO 210 35.129 40.268 26.921 1.00 0.00 ATOM 1594 CA PRO 210 33.954 41.054 27.213 1.00 0.00 ATOM 1595 CB PRO 210 32.811 40.095 26.859 1.00 0.00 ATOM 1596 CG PRO 210 33.412 38.727 27.091 1.00 0.00 ATOM 1597 CD PRO 210 34.795 38.877 26.584 1.00 0.00 ATOM 1598 O PRO 210 34.481 40.637 29.492 1.00 0.00 ATOM 1599 C PRO 210 33.937 41.383 28.694 1.00 0.00 ATOM 1600 N GLY 211 33.303 42.482 29.076 1.00 0.00 ATOM 1601 CA GLY 211 33.251 42.852 30.478 1.00 0.00 ATOM 1602 O GLY 211 32.782 41.538 32.393 1.00 0.00 ATOM 1603 C GLY 211 32.447 41.856 31.266 1.00 0.00 ATOM 1604 N THR 212 31.354 41.385 30.676 1.00 0.00 ATOM 1605 CA THR 212 30.563 40.318 31.253 1.00 0.00 ATOM 1606 CB THR 212 29.342 40.928 31.946 1.00 0.00 ATOM 1607 CG2 THR 212 28.447 39.876 32.612 1.00 0.00 ATOM 1608 OG1 THR 212 29.824 41.839 32.937 1.00 0.00 ATOM 1609 O THR 212 30.031 39.873 28.972 1.00 0.00 ATOM 1610 C THR 212 30.145 39.407 30.122 1.00 0.00 ATOM 1611 N LEU 213 29.903 38.132 30.459 1.00 0.00 ATOM 1612 CA LEU 213 29.487 37.092 29.513 1.00 0.00 ATOM 1613 CB LEU 213 30.695 36.269 29.107 1.00 0.00 ATOM 1614 CG LEU 213 30.440 35.149 28.087 1.00 0.00 ATOM 1615 CD1 LEU 213 29.769 35.585 26.823 1.00 0.00 ATOM 1616 CD2 LEU 213 31.758 34.478 27.778 1.00 0.00 ATOM 1617 O LEU 213 28.524 35.516 31.110 1.00 0.00 ATOM 1618 C LEU 213 28.372 36.201 30.079 1.00 0.00 ATOM 1619 N PHE 214 27.243 36.235 29.396 1.00 0.00 ATOM 1620 CA PHE 214 26.074 35.445 29.708 1.00 0.00 ATOM 1621 CB PHE 214 24.814 36.318 29.619 1.00 0.00 ATOM 1622 CG PHE 214 24.573 37.170 30.835 1.00 0.00 ATOM 1623 CD1 PHE 214 25.197 38.400 30.968 1.00 0.00 ATOM 1624 CD2 PHE 214 23.701 36.759 31.826 1.00 0.00 ATOM 1625 CE1 PHE 214 24.981 39.189 32.097 1.00 0.00 ATOM 1626 CE2 PHE 214 23.476 37.534 32.955 1.00 0.00 ATOM 1627 CZ PHE 214 24.115 38.754 33.095 1.00 0.00 ATOM 1628 O PHE 214 26.181 34.425 27.568 1.00 0.00 ATOM 1629 C PHE 214 25.881 34.298 28.730 1.00 0.00 ATOM 1630 N LYS 215 25.284 33.216 29.203 1.00 0.00 ATOM 1631 CA LYS 215 24.848 32.153 28.323 1.00 0.00 ATOM 1632 CB LYS 215 24.596 30.876 29.132 1.00 0.00 ATOM 1633 CG LYS 215 24.284 29.604 28.306 1.00 0.00 ATOM 1634 CD LYS 215 25.431 29.245 27.338 1.00 0.00 ATOM 1635 CE LYS 215 25.440 27.769 26.950 1.00 0.00 ATOM 1636 NZ LYS 215 24.047 27.257 26.751 1.00 0.00 ATOM 1637 O LYS 215 23.477 32.411 26.372 1.00 0.00 ATOM 1638 C LYS 215 23.613 32.603 27.589 1.00 0.00 ATOM 1639 N ASN 216 22.696 33.191 28.342 1.00 0.00 ATOM 1640 CA ASN 216 21.450 33.686 27.793 1.00 0.00 ATOM 1641 CB ASN 216 20.508 32.508 27.527 1.00 0.00 ATOM 1642 CG ASN 216 20.277 31.652 28.764 1.00 0.00 ATOM 1643 ND2 ASN 216 20.564 30.359 28.656 1.00 0.00 ATOM 1644 OD1 ASN 216 19.842 32.149 29.793 1.00 0.00 ATOM 1645 O ASN 216 21.465 34.926 29.833 1.00 0.00 ATOM 1646 C ASN 216 20.853 34.677 28.797 1.00 0.00 ATOM 1647 N PHE 217 19.661 35.205 28.525 1.00 0.00 ATOM 1648 CA PHE 217 19.061 36.212 29.405 1.00 0.00 ATOM 1649 CB PHE 217 18.592 37.439 28.610 1.00 0.00 ATOM 1650 CG PHE 217 19.681 38.216 27.905 1.00 0.00 ATOM 1651 CD1 PHE 217 20.916 38.454 28.495 1.00 0.00 ATOM 1652 CD2 PHE 217 19.428 38.789 26.657 1.00 0.00 ATOM 1653 CE1 PHE 217 21.892 39.230 27.838 1.00 0.00 ATOM 1654 CE2 PHE 217 20.395 39.559 26.001 1.00 0.00 ATOM 1655 CZ PHE 217 21.630 39.769 26.602 1.00 0.00 ATOM 1656 O PHE 217 16.961 36.394 30.550 1.00 0.00 ATOM 1657 C PHE 217 17.870 35.651 30.200 1.00 0.00 ATOM 1658 N ALA 218 17.880 34.350 30.498 1.00 0.00 ATOM 1659 CA ALA 218 16.833 33.735 31.306 1.00 0.00 ATOM 1660 CB ALA 218 17.138 32.263 31.521 1.00 0.00 ATOM 1661 O ALA 218 15.450 34.545 33.064 1.00 0.00 ATOM 1662 C ALA 218 16.600 34.397 32.661 1.00 0.00 ATOM 1663 N GLU 219 17.667 34.785 33.361 1.00 0.00 ATOM 1664 CA GLU 219 17.533 35.345 34.731 1.00 0.00 ATOM 1665 CB GLU 219 18.687 34.883 35.610 1.00 0.00 ATOM 1666 CG GLU 219 18.988 33.396 35.575 1.00 0.00 ATOM 1667 CD GLU 219 17.824 32.492 36.026 1.00 0.00 ATOM 1668 OE1 GLU 219 16.969 32.919 36.845 1.00 0.00 ATOM 1669 OE2 GLU 219 17.784 31.325 35.568 1.00 0.00 ATOM 1670 O GLU 219 18.444 37.566 34.871 1.00 0.00 ATOM 1671 C GLU 219 17.454 36.871 34.705 1.00 0.00 ATOM 1672 N THR 220 16.248 37.395 34.502 1.00 0.00 ATOM 1673 CA THR 220 16.059 38.827 34.257 1.00 0.00 ATOM 1674 CB THR 220 14.562 39.138 34.178 1.00 0.00 ATOM 1675 CG2 THR 220 14.315 40.529 33.648 1.00 0.00 ATOM 1676 OG1 THR 220 13.974 38.189 33.294 1.00 0.00 ATOM 1677 O THR 220 17.484 40.602 34.972 1.00 0.00 ATOM 1678 C THR 220 16.730 39.704 35.308 1.00 0.00 ATOM 1679 N ASP 221 16.453 39.420 36.580 1.00 0.00 ATOM 1680 CA ASP 221 17.011 40.180 37.703 1.00 0.00 ATOM 1681 CB ASP 221 16.588 39.592 39.055 1.00 0.00 ATOM 1682 CG ASP 221 15.079 39.639 39.276 1.00 0.00 ATOM 1683 OD1 ASP 221 14.397 40.444 38.605 1.00 0.00 ATOM 1684 OD2 ASP 221 14.568 38.869 40.145 1.00 0.00 ATOM 1685 O ASP 221 19.078 41.322 37.914 1.00 0.00 ATOM 1686 C ASP 221 18.524 40.267 37.658 1.00 0.00 ATOM 1687 N GLU 222 19.190 39.164 37.344 1.00 0.00 ATOM 1688 CA GLU 222 20.650 39.165 37.259 1.00 0.00 ATOM 1689 CB GLU 222 21.185 37.738 37.286 1.00 0.00 ATOM 1690 CG GLU 222 20.811 37.004 38.549 1.00 0.00 ATOM 1691 CD GLU 222 21.316 37.695 39.778 1.00 0.00 ATOM 1692 OE1 GLU 222 22.420 38.295 39.715 1.00 0.00 ATOM 1693 OE2 GLU 222 20.625 37.615 40.818 1.00 0.00 ATOM 1694 O GLU 222 22.209 40.582 36.123 1.00 0.00 ATOM 1695 C GLU 222 21.179 39.915 36.043 1.00 0.00 ATOM 1696 N VAL 223 20.471 39.848 34.922 1.00 0.00 ATOM 1697 CA VAL 223 20.921 40.590 33.765 1.00 0.00 ATOM 1698 CB VAL 223 20.179 40.225 32.445 1.00 0.00 ATOM 1699 CG1 VAL 223 20.831 40.944 31.256 1.00 0.00 ATOM 1700 CG2 VAL 223 20.120 38.715 32.206 1.00 0.00 ATOM 1701 O VAL 223 21.641 42.873 33.776 1.00 0.00 ATOM 1702 C VAL 223 20.771 42.082 34.079 1.00 0.00 ATOM 1703 N LEU 224 19.650 42.471 34.667 1.00 0.00 ATOM 1704 CA LEU 224 19.425 43.858 35.038 1.00 0.00 ATOM 1705 CB LEU 224 18.038 43.976 35.678 1.00 0.00 ATOM 1706 CG LEU 224 17.523 45.386 35.953 1.00 0.00 ATOM 1707 CD1 LEU 224 17.220 46.129 34.643 1.00 0.00 ATOM 1708 CD2 LEU 224 16.297 45.311 36.833 1.00 0.00 ATOM 1709 O LEU 224 21.110 45.435 35.763 1.00 0.00 ATOM 1710 C LEU 224 20.525 44.369 35.984 1.00 0.00 ATOM 1711 N ALA 225 20.837 43.585 37.017 1.00 0.00 ATOM 1712 CA ALA 225 21.877 43.957 37.971 1.00 0.00 ATOM 1713 CB ALA 225 22.031 42.894 39.029 1.00 0.00 ATOM 1714 O ALA 225 23.957 45.078 37.573 1.00 0.00 ATOM 1715 C ALA 225 23.193 44.165 37.256 1.00 0.00 ATOM 1716 N SER 226 23.467 43.314 36.281 1.00 0.00 ATOM 1717 CA SER 226 24.718 43.405 35.588 1.00 0.00 ATOM 1718 CB SER 226 24.949 42.149 34.775 1.00 0.00 ATOM 1719 OG SER 226 26.081 42.331 33.987 1.00 0.00 ATOM 1720 O SER 226 25.780 45.286 34.569 1.00 0.00 ATOM 1721 C SER 226 24.747 44.650 34.700 1.00 0.00 ATOM 1722 N ILE 227 23.598 45.016 34.127 1.00 0.00 ATOM 1723 CA ILE 227 23.518 46.163 33.210 1.00 0.00 ATOM 1724 CB ILE 227 22.225 46.130 32.342 1.00 0.00 ATOM 1725 CG1 ILE 227 22.316 45.004 31.309 1.00 0.00 ATOM 1726 CG2 ILE 227 22.034 47.448 31.612 1.00 0.00 ATOM 1727 CD1 ILE 227 20.956 44.694 30.616 1.00 0.00 ATOM 1728 O ILE 227 24.345 48.357 33.553 1.00 0.00 ATOM 1729 C ILE 227 23.605 47.490 33.955 1.00 0.00 ATOM 1730 N LEU 228 22.878 47.630 35.055 1.00 0.00 ATOM 1731 CA LEU 228 22.857 48.899 35.803 1.00 0.00 ATOM 1732 CB LEU 228 21.646 48.939 36.735 1.00 0.00 ATOM 1733 CG LEU 228 20.328 48.798 35.979 1.00 0.00 ATOM 1734 CD1 LEU 228 19.200 48.606 36.966 1.00 0.00 ATOM 1735 CD2 LEU 228 20.059 49.980 35.079 1.00 0.00 ATOM 1736 O LEU 228 24.536 50.377 36.662 1.00 0.00 ATOM 1737 C LEU 228 24.134 49.214 36.589 1.00 0.00 ATOM 1738 N THR 229 24.778 48.180 37.135 1.00 0.00 ATOM 1739 CA THR 229 25.942 48.303 38.057 1.00 0.00 ATOM 1740 CB THR 229 26.029 47.037 38.954 1.00 0.00 ATOM 1741 CG2 THR 229 27.167 47.144 39.970 1.00 0.00 ATOM 1742 OG1 THR 229 24.779 46.852 39.643 1.00 0.00 ATOM 1743 O THR 229 27.996 49.535 37.583 1.00 0.00 ATOM 1744 C THR 229 27.309 48.518 37.360 1.00 0.00 ENDMDL # command:# Prefix for output files set to decoys/ # command:# request to SCWRL produces command: ulimit -t 210 ; scwrl3 -i /var/tmp/to_scwrl_1285204589.pdb -s /var/tmp/to_scwrl_1285204589.seq -o /var/tmp/from_scwrl_1285204589.pdb > /var/tmp/scwrl_1285204589.log sh: /var/tmp/scwrl_1285204589.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1285204589.pdb or /var/tmp/from_scwrl_1285204589.pdb.gz for input Warning: Couldn't open file /var/tmp/from_scwrl_1285204589_b.pdb or /var/tmp/from_scwrl_1285204589_b.pdb.gz for input Trying /var/tmp/from_scwrl_1285204589_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1285204589_b.pdb or /var/tmp/from_scwrl_1285204589_b.pdb.gz for input Warning: Couldn't open file /var/tmp/from_scwrl_1285204589_a.pdb or /var/tmp/from_scwrl_1285204589_a.pdb.gz for input Trying /var/tmp/from_scwrl_1285204589_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1285204589_a.pdb or /var/tmp/from_scwrl_1285204589_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1285204589.pdb or /var/tmp/from_scwrl_1285204589_b.pdb or /var/tmp/from_scwrl_1285204589_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 = -54.778 # GDT_score(maxd=8.000,maxw=2.900)= -55.851 # GDT_score(maxd=8.000,maxw=3.200)= -52.546 # GDT_score(maxd=8.000,maxw=3.500)= -49.370 # GDT_score(maxd=10.000,maxw=3.800)= -53.474 # GDT_score(maxd=10.000,maxw=4.000)= -51.415 # GDT_score(maxd=10.000,maxw=4.200)= -49.494 # GDT_score(maxd=12.000,maxw=4.300)= -53.961 # GDT_score(maxd=12.000,maxw=4.500)= -52.048 # GDT_score(maxd=12.000,maxw=4.700)= -50.249 # GDT_score(maxd=14.000,maxw=5.200)= -50.098 # GDT_score(maxd=14.000,maxw=5.500)= -47.649 # command:# request to SCWRL produces command: ulimit -t 210 ; scwrl3 -i /var/tmp/to_scwrl_478952203.pdb -s /var/tmp/to_scwrl_478952203.seq -o /var/tmp/from_scwrl_478952203.pdb > /var/tmp/scwrl_478952203.log sh: /var/tmp/scwrl_478952203.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_478952203.pdb or /var/tmp/from_scwrl_478952203.pdb.gz for input Warning: Couldn't open file /var/tmp/from_scwrl_478952203_b.pdb or /var/tmp/from_scwrl_478952203_b.pdb.gz for input Trying /var/tmp/from_scwrl_478952203_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_478952203_b.pdb or /var/tmp/from_scwrl_478952203_b.pdb.gz for input Warning: Couldn't open file /var/tmp/from_scwrl_478952203_a.pdb or /var/tmp/from_scwrl_478952203_a.pdb.gz for input Trying /var/tmp/from_scwrl_478952203_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_478952203_a.pdb or /var/tmp/from_scwrl_478952203_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_478952203.pdb or /var/tmp/from_scwrl_478952203_b.pdb or /var/tmp/from_scwrl_478952203_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 227 # 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 = -55.222 # GDT_score(maxd=8.000,maxw=2.900)= -55.791 # GDT_score(maxd=8.000,maxw=3.200)= -52.550 # GDT_score(maxd=8.000,maxw=3.500)= -49.343 # GDT_score(maxd=10.000,maxw=3.800)= -53.498 # GDT_score(maxd=10.000,maxw=4.000)= -51.400 # GDT_score(maxd=10.000,maxw=4.200)= -49.448 # GDT_score(maxd=12.000,maxw=4.300)= -53.908 # GDT_score(maxd=12.000,maxw=4.500)= -51.966 # GDT_score(maxd=12.000,maxw=4.700)= -50.135 # GDT_score(maxd=14.000,maxw=5.200)= -49.958 # GDT_score(maxd=14.000,maxw=5.500)= -47.548 # command:# request to SCWRL produces command: ulimit -t 210 ; scwrl3 -i /var/tmp/to_scwrl_1301544150.pdb -s /var/tmp/to_scwrl_1301544150.seq -o /var/tmp/from_scwrl_1301544150.pdb > /var/tmp/scwrl_1301544150.log sh: /var/tmp/scwrl_1301544150.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1301544150.pdb or /var/tmp/from_scwrl_1301544150.pdb.gz for input Warning: Couldn't open file /var/tmp/from_scwrl_1301544150_b.pdb or /var/tmp/from_scwrl_1301544150_b.pdb.gz for input Trying /var/tmp/from_scwrl_1301544150_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1301544150_b.pdb or /var/tmp/from_scwrl_1301544150_b.pdb.gz for input Warning: Couldn't open file /var/tmp/from_scwrl_1301544150_a.pdb or /var/tmp/from_scwrl_1301544150_a.pdb.gz for input Trying /var/tmp/from_scwrl_1301544150_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1301544150_a.pdb or /var/tmp/from_scwrl_1301544150_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1301544150.pdb or /var/tmp/from_scwrl_1301544150_b.pdb or /var/tmp/from_scwrl_1301544150_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 # Found a chain break before 208 # copying to AlignedFragments data structure # command:Warning: Couldn't open file decoys/model4.gdt for output # fraction of real conformation used = 1.000 # GDT_score = -47.333 # GDT_score(maxd=8.000,maxw=2.900)= -46.694 # GDT_score(maxd=8.000,maxw=3.200)= -44.431 # GDT_score(maxd=8.000,maxw=3.500)= -42.066 # GDT_score(maxd=10.000,maxw=3.800)= -45.418 # GDT_score(maxd=10.000,maxw=4.000)= -43.840 # GDT_score(maxd=10.000,maxw=4.200)= -42.363 # GDT_score(maxd=12.000,maxw=4.300)= -46.100 # GDT_score(maxd=12.000,maxw=4.500)= -44.610 # GDT_score(maxd=12.000,maxw=4.700)= -43.204 # GDT_score(maxd=14.000,maxw=5.200)= -43.459 # GDT_score(maxd=14.000,maxw=5.500)= -41.471 # command:# request to SCWRL produces command: ulimit -t 210 ; scwrl3 -i /var/tmp/to_scwrl_2096863574.pdb -s /var/tmp/to_scwrl_2096863574.seq -o /var/tmp/from_scwrl_2096863574.pdb > /var/tmp/scwrl_2096863574.log sh: /var/tmp/scwrl_2096863574.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_2096863574.pdb or /var/tmp/from_scwrl_2096863574.pdb.gz for input Warning: Couldn't open file /var/tmp/from_scwrl_2096863574_b.pdb or /var/tmp/from_scwrl_2096863574_b.pdb.gz for input Trying /var/tmp/from_scwrl_2096863574_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_2096863574_b.pdb or /var/tmp/from_scwrl_2096863574_b.pdb.gz for input Warning: Couldn't open file /var/tmp/from_scwrl_2096863574_a.pdb or /var/tmp/from_scwrl_2096863574_a.pdb.gz for input Trying /var/tmp/from_scwrl_2096863574_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_2096863574_a.pdb or /var/tmp/from_scwrl_2096863574_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_2096863574.pdb or /var/tmp/from_scwrl_2096863574_b.pdb or /var/tmp/from_scwrl_2096863574_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 T0330 can't currently be optimized by undertaker # command:Warning: Couldn't open file decoys/model5.gdt for output # fraction of real conformation used = 0.862 # GDT_score = -51.444 # GDT_score(maxd=8.000,maxw=2.900)= -52.189 # GDT_score(maxd=8.000,maxw=3.200)= -49.385 # GDT_score(maxd=8.000,maxw=3.500)= -46.701 # GDT_score(maxd=10.000,maxw=3.800)= -50.062 # GDT_score(maxd=10.000,maxw=4.000)= -48.358 # GDT_score(maxd=10.000,maxw=4.200)= -46.714 # GDT_score(maxd=12.000,maxw=4.300)= -50.346 # GDT_score(maxd=12.000,maxw=4.500)= -48.709 # GDT_score(maxd=12.000,maxw=4.700)= -47.115 # GDT_score(maxd=14.000,maxw=5.200)= -46.733 # GDT_score(maxd=14.000,maxw=5.500)= -44.550 # command:# request to SCWRL produces command: ulimit -t 210 ; scwrl3 -i /var/tmp/to_scwrl_676110375.pdb -s /var/tmp/to_scwrl_676110375.seq -o /var/tmp/from_scwrl_676110375.pdb > /var/tmp/scwrl_676110375.log sh: /var/tmp/scwrl_676110375.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_676110375.pdb or /var/tmp/from_scwrl_676110375.pdb.gz for input Warning: Couldn't open file /var/tmp/from_scwrl_676110375_b.pdb or /var/tmp/from_scwrl_676110375_b.pdb.gz for input Trying /var/tmp/from_scwrl_676110375_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_676110375_b.pdb or /var/tmp/from_scwrl_676110375_b.pdb.gz for input Warning: Couldn't open file /var/tmp/from_scwrl_676110375_a.pdb or /var/tmp/from_scwrl_676110375_a.pdb.gz for input Trying /var/tmp/from_scwrl_676110375_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_676110375_a.pdb or /var/tmp/from_scwrl_676110375_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_676110375.pdb or /var/tmp/from_scwrl_676110375_b.pdb or /var/tmp/from_scwrl_676110375_a.pdb Error: no new SCWRL conformation added # command:# naming current conformation model5-scwrl # command:# Prefix for input files set to decoys/ # command:# ReadConformPDB reading from PDB file T0330.try1-opt2.pdb looking for model 1 # Found a chain break before 231 # copying to AlignedFragments data structure # command:Warning: Couldn't open file decoys/try1.gdt for output # fraction of real conformation used = 1.000 # GDT_score = -49.111 # GDT_score(maxd=8.000,maxw=2.900)= -49.570 # GDT_score(maxd=8.000,maxw=3.200)= -47.180 # GDT_score(maxd=8.000,maxw=3.500)= -44.707 # GDT_score(maxd=10.000,maxw=3.800)= -47.869 # GDT_score(maxd=10.000,maxw=4.000)= -46.244 # GDT_score(maxd=10.000,maxw=4.200)= -44.672 # GDT_score(maxd=12.000,maxw=4.300)= -48.337 # GDT_score(maxd=12.000,maxw=4.500)= -46.767 # GDT_score(maxd=12.000,maxw=4.700)= -45.236 # GDT_score(maxd=14.000,maxw=5.200)= -45.271 # GDT_score(maxd=14.000,maxw=5.500)= -43.211 # command:# Prefix for output files set to # command:Warning: Couldn't open file T0330.try1-real.pdb for output Error: Couldn't open file T0330.try1-real.pdb for output superimposing iter= 0 total_weight= 2644.000 rmsd (weighted)= 8.042 (unweighted)= 15.392 superimposing iter= 1 total_weight= 7329.792 rmsd (weighted)= 3.522 (unweighted)= 15.388 superimposing iter= 2 total_weight= 3575.486 rmsd (weighted)= 2.345 (unweighted)= 15.451 superimposing iter= 3 total_weight= 2648.751 rmsd (weighted)= 1.847 (unweighted)= 15.521 superimposing iter= 4 total_weight= 2265.088 rmsd (weighted)= 1.592 (unweighted)= 15.575 superimposing iter= 5 total_weight= 2008.033 rmsd (weighted)= 1.468 (unweighted)= 15.612 EXPDTA T0330.try1-opt2.pdb MODEL 1 REMARK 44 REMARK 44 model 1 is called T0330.try1-opt2.pdb ATOM 1 N MET A 1 31.156 53.208 34.711 1.00 0.00 ATOM 2 CA MET A 1 30.767 53.171 36.149 1.00 0.00 ATOM 3 CB MET A 1 31.363 54.369 36.896 1.00 0.00 ATOM 4 CG MET A 1 32.870 54.311 37.080 1.00 0.00 ATOM 5 SD MET A 1 33.784 54.371 35.529 1.00 0.00 ATOM 6 CE MET A 1 34.063 56.138 35.371 1.00 0.00 ATOM 7 O MET A 1 28.670 52.164 36.718 1.00 0.00 ATOM 8 C MET A 1 29.254 53.172 36.323 1.00 0.00 ATOM 9 N SER A 2 28.626 54.309 36.033 1.00 0.00 ATOM 10 CA SER A 2 27.178 54.437 36.158 1.00 0.00 ATOM 11 CB SER A 2 26.818 55.756 36.847 1.00 0.00 ATOM 12 OG SER A 2 25.415 55.868 37.019 1.00 0.00 ATOM 13 O SER A 2 26.460 55.380 34.071 1.00 0.00 ATOM 14 C SER A 2 26.522 54.379 34.786 1.00 0.00 ATOM 15 N ARG A 3 26.018 53.202 34.434 1.00 0.00 ATOM 16 CA ARG A 3 25.384 53.003 33.135 1.00 0.00 ATOM 17 CB ARG A 3 25.314 51.512 32.795 1.00 0.00 ATOM 18 CG ARG A 3 26.672 50.862 32.577 1.00 0.00 ATOM 19 CD ARG A 3 26.536 49.366 32.342 1.00 0.00 ATOM 20 NE ARG A 3 26.119 48.657 33.550 1.00 0.00 ATOM 21 CZ ARG A 3 25.707 47.394 33.569 1.00 0.00 ATOM 22 NH1 ARG A 3 25.347 46.831 34.716 1.00 0.00 ATOM 23 NH2 ARG A 3 25.655 46.696 32.442 1.00 0.00 ATOM 24 O ARG A 3 23.216 53.340 34.103 1.00 0.00 ATOM 25 C ARG A 3 23.979 53.596 33.172 1.00 0.00 ATOM 26 N THR A 4 23.656 54.407 32.172 1.00 0.00 ATOM 27 CA THR A 4 22.335 55.027 32.114 1.00 0.00 ATOM 28 CB THR A 4 22.443 56.563 32.090 1.00 0.00 ATOM 29 CG2 THR A 4 23.136 57.069 33.345 1.00 0.00 ATOM 30 OG1 THR A 4 23.200 56.974 30.944 1.00 0.00 ATOM 31 O THR A 4 20.362 54.794 30.796 1.00 0.00 ATOM 32 C THR A 4 21.566 54.562 30.885 1.00 0.00 ATOM 33 N LEU A 5 22.399 53.962 29.940 1.00 0.00 ATOM 34 CA LEU A 5 21.817 53.429 28.710 1.00 0.00 ATOM 35 CB LEU A 5 22.491 54.027 27.505 1.00 0.00 ATOM 36 CG LEU A 5 22.004 55.453 27.305 1.00 0.00 ATOM 37 CD1 LEU A 5 22.242 56.191 28.527 1.00 0.00 ATOM 38 CD2 LEU A 5 22.706 56.054 26.158 1.00 0.00 ATOM 39 O LEU A 5 23.441 51.677 28.779 1.00 0.00 ATOM 40 C LEU A 5 22.413 52.113 28.254 1.00 0.00 ATOM 41 N VAL A 6 21.720 51.439 27.340 1.00 0.00 ATOM 42 CA VAL A 6 22.178 50.163 26.811 1.00 0.00 ATOM 43 CB VAL A 6 21.379 48.980 27.429 1.00 0.00 ATOM 44 CG1 VAL A 6 21.906 47.616 26.935 1.00 0.00 ATOM 45 CG2 VAL A 6 21.423 49.033 28.958 1.00 0.00 ATOM 46 O VAL A 6 20.893 50.464 24.806 1.00 0.00 ATOM 47 C VAL A 6 21.985 50.153 25.306 1.00 0.00 ATOM 48 N LEU A 7 23.044 49.802 24.590 1.00 0.00 ATOM 49 CA LEU A 7 23.022 49.677 23.142 1.00 0.00 ATOM 50 CB LEU A 7 24.338 50.161 22.572 1.00 0.00 ATOM 51 CG LEU A 7 24.325 51.665 22.283 1.00 0.00 ATOM 52 CD1 LEU A 7 25.738 52.225 22.291 1.00 0.00 ATOM 53 CD2 LEU A 7 23.641 51.948 20.955 1.00 0.00 ATOM 54 O LEU A 7 23.903 47.456 23.268 1.00 0.00 ATOM 55 C LEU A 7 23.017 48.180 22.820 1.00 0.00 ATOM 56 N PHE A 8 22.011 47.724 22.071 1.00 0.00 ATOM 57 CA PHE A 8 21.875 46.305 21.702 1.00 0.00 ATOM 58 CB PHE A 8 20.468 45.800 22.030 1.00 0.00 ATOM 59 CG PHE A 8 20.163 45.767 23.500 1.00 0.00 ATOM 60 CD1 PHE A 8 19.545 46.841 24.117 1.00 0.00 ATOM 61 CD2 PHE A 8 20.495 44.665 24.267 1.00 0.00 ATOM 62 CE1 PHE A 8 19.265 46.812 25.469 1.00 0.00 ATOM 63 CE2 PHE A 8 20.215 44.634 25.620 1.00 0.00 ATOM 64 CZ PHE A 8 19.602 45.702 26.222 1.00 0.00 ATOM 65 O PHE A 8 21.773 46.923 19.389 1.00 0.00 ATOM 66 C PHE A 8 22.112 46.078 20.217 1.00 0.00 ATOM 67 N ASP A 9 22.688 44.927 19.888 1.00 0.00 ATOM 68 CA ASP A 9 22.862 44.534 18.495 1.00 0.00 ATOM 69 CB ASP A 9 24.051 43.583 18.350 1.00 0.00 ATOM 70 CG ASP A 9 25.384 44.283 18.532 1.00 0.00 ATOM 71 OD1 ASP A 9 25.399 45.532 18.559 1.00 0.00 ATOM 72 OD2 ASP A 9 26.411 43.584 18.645 1.00 0.00 ATOM 73 O ASP A 9 20.860 43.381 19.147 1.00 0.00 ATOM 74 C ASP A 9 21.513 43.864 18.218 1.00 0.00 ATOM 75 N ILE A 10 21.073 43.830 16.970 1.00 0.00 ATOM 76 CA ILE A 10 19.784 43.230 16.654 1.00 0.00 ATOM 77 CB ILE A 10 19.146 43.883 15.415 1.00 0.00 ATOM 78 CG1 ILE A 10 19.059 45.401 15.597 1.00 0.00 ATOM 79 CG2 ILE A 10 17.742 43.343 15.192 1.00 0.00 ATOM 80 CD1 ILE A 10 18.138 45.829 16.719 1.00 0.00 ATOM 81 O ILE A 10 19.376 40.913 17.174 1.00 0.00 ATOM 82 C ILE A 10 19.801 41.729 16.346 1.00 0.00 ATOM 83 N ASP A 11 20.291 41.374 15.160 1.00 0.00 ATOM 84 CA ASP A 11 20.341 39.989 14.687 1.00 0.00 ATOM 85 CB ASP A 11 20.714 39.916 13.193 1.00 0.00 ATOM 86 CG ASP A 11 19.483 40.016 12.250 1.00 0.00 ATOM 87 OD1 ASP A 11 18.351 39.688 12.690 1.00 0.00 ATOM 88 OD2 ASP A 11 19.654 40.399 11.062 1.00 0.00 ATOM 89 O ASP A 11 22.522 39.260 15.363 1.00 0.00 ATOM 90 C ASP A 11 21.307 39.097 15.459 1.00 0.00 ATOM 91 N GLY A 12 20.759 38.114 16.165 1.00 0.00 ATOM 92 CA GLY A 12 21.584 37.201 16.936 1.00 0.00 ATOM 93 O GLY A 12 22.100 36.702 19.219 1.00 0.00 ATOM 94 C GLY A 12 21.704 37.541 18.410 1.00 0.00 ATOM 95 N THR A 13 21.340 38.763 18.778 1.00 0.00 ATOM 96 CA THR A 13 21.422 39.188 20.168 1.00 0.00 ATOM 97 CB THR A 13 22.029 40.598 20.292 1.00 0.00 ATOM 98 CG2 THR A 13 22.074 41.032 21.749 1.00 0.00 ATOM 99 OG1 THR A 13 23.363 40.595 19.767 1.00 0.00 ATOM 100 O THR A 13 19.809 38.645 21.869 1.00 0.00 ATOM 101 C THR A 13 20.032 39.218 20.802 1.00 0.00 ATOM 102 N LEU A 14 19.106 39.904 20.145 1.00 0.00 ATOM 103 CA LEU A 14 17.741 40.011 20.634 1.00 0.00 ATOM 104 CB LEU A 14 17.200 41.419 20.576 1.00 0.00 ATOM 105 CG LEU A 14 17.735 42.322 21.656 1.00 0.00 ATOM 106 CD1 LEU A 14 17.281 43.741 21.349 1.00 0.00 ATOM 107 CD2 LEU A 14 17.258 41.877 23.044 1.00 0.00 ATOM 108 O LEU A 14 15.883 38.535 20.321 1.00 0.00 ATOM 109 C LEU A 14 16.829 39.129 19.799 1.00 0.00 ATOM 110 N LEU A 15 16.978 39.261 18.386 1.00 0.00 ATOM 111 CA LEU A 15 16.194 38.449 17.464 1.00 0.00 ATOM 112 CB LEU A 15 15.770 39.276 16.247 1.00 0.00 ATOM 113 CG LEU A 15 14.890 40.495 16.532 1.00 0.00 ATOM 114 CD1 LEU A 15 14.608 41.264 15.250 1.00 0.00 ATOM 115 CD2 LEU A 15 13.560 40.070 17.132 1.00 0.00 ATOM 116 O LEU A 15 18.062 37.329 16.449 1.00 0.00 ATOM 117 C LEU A 15 16.926 37.231 16.909 1.00 0.00 ATOM 118 N LYS A 16 16.247 36.089 16.949 1.00 0.00 ATOM 119 CA LYS A 16 16.779 34.811 16.476 1.00 0.00 ATOM 120 CB LYS A 16 15.973 33.648 17.059 1.00 0.00 ATOM 121 CG LYS A 16 16.583 32.281 16.805 1.00 0.00 ATOM 122 CD LYS A 16 15.838 31.194 17.562 1.00 0.00 ATOM 123 CE LYS A 16 14.536 30.829 16.865 1.00 0.00 ATOM 124 NZ LYS A 16 13.824 29.725 17.563 1.00 0.00 ATOM 125 O LYS A 16 15.655 34.757 14.346 1.00 0.00 ATOM 126 C LYS A 16 16.726 34.698 14.949 1.00 0.00 ATOM 127 N VAL A 17 17.888 34.509 14.331 1.00 0.00 ATOM 128 CA VAL A 17 17.985 34.389 12.882 1.00 0.00 ATOM 129 CB VAL A 17 19.346 34.888 12.365 1.00 0.00 ATOM 130 CG1 VAL A 17 19.555 36.347 12.736 1.00 0.00 ATOM 131 CG2 VAL A 17 20.478 34.071 12.970 1.00 0.00 ATOM 132 O VAL A 17 17.785 32.683 11.186 1.00 0.00 ATOM 133 C VAL A 17 17.830 32.942 12.389 1.00 0.00 ATOM 134 N GLU A 18 17.718 32.008 13.327 1.00 0.00 ATOM 135 CA GLU A 18 17.572 30.597 12.989 1.00 0.00 ATOM 136 CB GLU A 18 17.335 29.765 14.250 1.00 0.00 ATOM 137 CG GLU A 18 17.326 28.265 14.010 1.00 0.00 ATOM 138 CD GLU A 18 17.184 27.470 15.294 1.00 0.00 ATOM 139 OE1 GLU A 18 17.060 28.095 16.368 1.00 0.00 ATOM 140 OE2 GLU A 18 17.197 26.223 15.225 1.00 0.00 ATOM 141 O GLU A 18 16.392 29.264 11.406 1.00 0.00 ATOM 142 C GLU A 18 16.357 30.246 12.145 1.00 0.00 ATOM 143 N SER A 19 15.183 31.076 12.193 1.00 0.00 ATOM 144 CA SER A 19 13.983 30.799 11.404 1.00 0.00 ATOM 145 CB SER A 19 12.949 31.894 11.672 1.00 0.00 ATOM 146 OG SER A 19 13.453 33.170 11.317 1.00 0.00 ATOM 147 O SER A 19 13.656 30.300 9.076 1.00 0.00 ATOM 148 C SER A 19 14.346 30.877 9.923 1.00 0.00 ATOM 149 N MET A 20 15.451 31.551 9.615 1.00 0.00 ATOM 150 CA MET A 20 15.885 31.684 8.229 1.00 0.00 ATOM 151 CB MET A 20 17.070 32.648 8.129 1.00 0.00 ATOM 152 CG MET A 20 16.713 34.099 8.406 1.00 0.00 ATOM 153 SD MET A 20 18.070 35.230 8.044 1.00 0.00 ATOM 154 CE MET A 20 19.148 34.923 9.441 1.00 0.00 ATOM 155 O MET A 20 16.093 30.025 6.508 1.00 0.00 ATOM 156 C MET A 20 16.317 30.324 7.683 1.00 0.00 ATOM 157 N ASN A 21 16.885 29.487 8.551 1.00 0.00 ATOM 158 CA ASN A 21 17.323 28.145 8.164 1.00 0.00 ATOM 159 CB ASN A 21 17.795 27.363 9.391 1.00 0.00 ATOM 160 CG ASN A 21 19.134 27.849 9.911 1.00 0.00 ATOM 161 ND2 ASN A 21 19.458 27.474 11.144 1.00 0.00 ATOM 162 OD1 ASN A 21 19.864 28.551 9.215 1.00 0.00 ATOM 163 O ASN A 21 16.271 26.850 6.426 1.00 0.00 ATOM 164 C ASN A 21 16.156 27.404 7.524 1.00 0.00 ATOM 165 N ARG A 22 15.028 27.479 8.206 1.00 0.00 ATOM 166 CA ARG A 22 13.799 26.796 7.708 1.00 0.00 ATOM 167 CB ARG A 22 12.626 27.060 8.659 1.00 0.00 ATOM 168 CG ARG A 22 12.689 26.208 9.874 1.00 0.00 ATOM 169 CD ARG A 22 11.432 26.301 10.769 1.00 0.00 ATOM 170 NE ARG A 22 10.828 27.627 10.798 1.00 0.00 ATOM 171 CZ ARG A 22 10.998 28.545 11.752 1.00 0.00 ATOM 172 NH1 ARG A 22 11.764 28.323 12.822 1.00 0.00 ATOM 173 NH2 ARG A 22 10.358 29.705 11.635 1.00 0.00 ATOM 174 O ARG A 22 13.035 26.443 5.448 1.00 0.00 ATOM 175 C ARG A 22 13.399 27.246 6.307 1.00 0.00 ATOM 176 N ARG A 23 13.501 28.535 6.038 1.00 0.00 ATOM 177 CA ARG A 23 13.117 29.079 4.736 1.00 0.00 ATOM 178 CB ARG A 23 13.094 30.609 4.789 1.00 0.00 ATOM 179 CG ARG A 23 11.870 31.270 5.498 1.00 0.00 ATOM 180 CD ARG A 23 10.574 31.054 4.744 1.00 0.00 ATOM 181 NE ARG A 23 10.604 31.703 3.435 1.00 0.00 ATOM 182 CZ ARG A 23 10.674 31.087 2.253 1.00 0.00 ATOM 183 NH1 ARG A 23 10.763 29.732 2.101 1.00 0.00 ATOM 184 NH2 ARG A 23 10.709 31.852 1.182 1.00 0.00 ATOM 185 O ARG A 23 13.623 28.231 2.583 1.00 0.00 ATOM 186 C ARG A 23 14.053 28.583 3.661 1.00 0.00 ATOM 187 N VAL A 24 15.355 28.600 3.938 1.00 0.00 ATOM 188 CA VAL A 24 16.314 28.057 2.931 1.00 0.00 ATOM 189 CB VAL A 24 17.734 28.080 3.346 1.00 0.00 ATOM 190 CG1 VAL A 24 18.615 27.450 2.272 1.00 0.00 ATOM 191 CG2 VAL A 24 18.145 29.534 3.571 1.00 0.00 ATOM 192 O VAL A 24 15.948 26.177 1.412 1.00 0.00 ATOM 193 C VAL A 24 16.033 26.590 2.614 1.00 0.00 ATOM 194 N LEU A 25 15.765 25.783 3.641 1.00 0.00 ATOM 195 CA LEU A 25 15.482 24.361 3.353 1.00 0.00 ATOM 196 CB LEU A 25 15.463 23.528 4.650 1.00 0.00 ATOM 197 CG LEU A 25 16.703 23.498 5.546 1.00 0.00 ATOM 198 CD1 LEU A 25 16.441 22.613 6.757 1.00 0.00 ATOM 199 CD2 LEU A 25 17.948 23.055 4.872 1.00 0.00 ATOM 200 O LEU A 25 14.138 23.136 1.853 1.00 0.00 ATOM 201 C LEU A 25 14.239 24.156 2.536 1.00 0.00 ATOM 202 N ALA A 26 13.276 25.077 2.645 1.00 0.00 ATOM 203 CA ALA A 26 12.064 25.030 1.832 1.00 0.00 ATOM 204 CB ALA A 26 11.073 26.086 2.295 1.00 0.00 ATOM 205 O ALA A 26 11.891 24.596 -0.521 1.00 0.00 ATOM 206 C ALA A 26 12.423 25.261 0.365 1.00 0.00 ATOM 207 N ASP A 27 13.326 26.214 0.139 1.00 0.00 ATOM 208 CA ASP A 27 13.752 26.552 -1.215 1.00 0.00 ATOM 209 CB ASP A 27 14.577 27.841 -1.184 1.00 0.00 ATOM 210 CG ASP A 27 13.730 29.066 -0.901 1.00 0.00 ATOM 211 OD1 ASP A 27 12.489 28.967 -1.000 1.00 0.00 ATOM 212 OD2 ASP A 27 14.307 30.126 -0.582 1.00 0.00 ATOM 213 O ASP A 27 14.519 25.080 -2.980 1.00 0.00 ATOM 214 C ASP A 27 14.579 25.386 -1.782 1.00 0.00 ATOM 215 N ALA A 28 15.343 24.756 -0.905 1.00 0.00 ATOM 216 CA ALA A 28 16.203 23.614 -1.199 1.00 0.00 ATOM 217 CB ALA A 28 17.617 24.157 -1.344 1.00 0.00 ATOM 218 O ALA A 28 16.955 22.598 0.859 1.00 0.00 ATOM 219 C ALA A 28 16.142 22.568 -0.076 1.00 0.00 ATOM 220 N LEU A 29 14.884 21.962 -0.042 1.00 0.00 ATOM 221 CA LEU A 29 14.770 20.891 0.955 1.00 0.00 ATOM 222 CB LEU A 29 13.791 19.817 0.477 1.00 0.00 ATOM 223 CG LEU A 29 13.484 18.691 1.465 1.00 0.00 ATOM 224 CD1 LEU A 29 12.767 19.233 2.693 1.00 0.00 ATOM 225 CD2 LEU A 29 12.594 17.638 0.823 1.00 0.00 ATOM 226 O LEU A 29 16.753 19.677 0.359 1.00 0.00 ATOM 227 C LEU A 29 16.074 20.177 1.260 1.00 0.00 ATOM 228 N ILE A 30 16.429 20.165 2.542 1.00 0.00 ATOM 229 CA ILE A 30 17.653 19.528 2.986 1.00 0.00 ATOM 230 CB ILE A 30 17.638 18.071 2.209 1.00 0.00 ATOM 231 CG1 ILE A 30 16.486 17.163 2.685 1.00 0.00 ATOM 232 CG2 ILE A 30 19.004 17.388 2.361 1.00 0.00 ATOM 233 CD1 ILE A 30 16.172 15.999 1.713 1.00 0.00 ATOM 234 O ILE A 30 19.845 20.177 3.669 1.00 0.00 ATOM 235 C ILE A 30 18.870 20.439 2.964 1.00 0.00 ATOM 236 N GLU A 31 18.791 21.547 2.230 1.00 0.00 ATOM 237 CA GLU A 31 19.909 22.489 2.111 1.00 0.00 ATOM 238 CB GLU A 31 20.128 22.639 0.532 1.00 0.00 ATOM 239 CG GLU A 31 20.329 21.278 -0.162 1.00 0.00 ATOM 240 CD GLU A 31 20.918 21.365 -1.566 1.00 0.00 ATOM 241 OE1 GLU A 31 21.162 20.294 -2.173 1.00 0.00 ATOM 242 OE2 GLU A 31 21.138 22.493 -2.061 1.00 0.00 ATOM 243 O GLU A 31 20.889 24.328 3.316 1.00 0.00 ATOM 244 C GLU A 31 19.871 23.673 3.088 1.00 0.00 ATOM 245 N VAL A 32 22.395 23.979 4.170 1.00 0.00 ATOM 246 CA VAL A 32 23.668 24.269 3.523 1.00 0.00 ATOM 247 CB VAL A 32 23.905 23.350 2.310 1.00 0.00 ATOM 248 CG1 VAL A 32 25.135 23.798 1.536 1.00 0.00 ATOM 249 CG2 VAL A 32 24.120 21.914 2.763 1.00 0.00 ATOM 250 O VAL A 32 24.701 26.429 3.270 1.00 0.00 ATOM 251 C VAL A 32 23.733 25.708 3.019 1.00 0.00 ATOM 252 N TYR A 33 22.684 26.119 2.326 1.00 0.00 ATOM 253 CA TYR A 33 22.595 27.455 1.773 1.00 0.00 ATOM 254 CB TYR A 33 21.316 27.611 0.949 1.00 0.00 ATOM 255 CG TYR A 33 21.132 28.990 0.357 1.00 0.00 ATOM 256 CD1 TYR A 33 21.832 29.376 -0.779 1.00 0.00 ATOM 257 CD2 TYR A 33 20.259 29.903 0.938 1.00 0.00 ATOM 258 CE1 TYR A 33 21.671 30.636 -1.325 1.00 0.00 ATOM 259 CE2 TYR A 33 20.085 31.166 0.404 1.00 0.00 ATOM 260 CZ TYR A 33 20.800 31.527 -0.736 1.00 0.00 ATOM 261 OH TYR A 33 20.638 32.781 -1.279 1.00 0.00 ATOM 262 O TYR A 33 23.281 29.532 2.764 1.00 0.00 ATOM 263 C TYR A 33 22.578 28.523 2.859 1.00 0.00 ATOM 264 N GLY A 34 21.794 28.289 3.898 1.00 0.00 ATOM 265 CA GLY A 34 21.674 29.249 4.979 1.00 0.00 ATOM 266 O GLY A 34 23.276 30.560 6.155 1.00 0.00 ATOM 267 C GLY A 34 22.942 29.440 5.776 1.00 0.00 ATOM 268 N THR A 35 23.640 28.344 6.044 1.00 0.00 ATOM 269 CA THR A 35 24.875 28.405 6.810 1.00 0.00 ATOM 270 CB THR A 35 25.494 27.007 6.996 1.00 0.00 ATOM 271 CG2 THR A 35 26.803 27.102 7.762 1.00 0.00 ATOM 272 OG1 THR A 35 24.586 26.173 7.728 1.00 0.00 ATOM 273 O THR A 35 26.564 30.113 6.738 1.00 0.00 ATOM 274 C THR A 35 25.911 29.277 6.113 1.00 0.00 ATOM 275 N GLU A 36 25.882 29.084 4.721 1.00 0.00 ATOM 276 CA GLU A 36 26.864 29.785 3.924 1.00 0.00 ATOM 277 CB GLU A 36 27.004 29.131 2.548 1.00 0.00 ATOM 278 CG GLU A 36 27.666 27.763 2.575 1.00 0.00 ATOM 279 CD GLU A 36 27.676 27.094 1.215 1.00 0.00 ATOM 280 OE1 GLU A 36 27.102 27.667 0.266 1.00 0.00 ATOM 281 OE2 GLU A 36 28.258 25.995 1.099 1.00 0.00 ATOM 282 O GLU A 36 27.270 32.143 3.788 1.00 0.00 ATOM 283 C GLU A 36 26.440 31.241 3.722 1.00 0.00 ATOM 284 N GLY A 37 25.153 31.486 3.478 1.00 0.00 ATOM 285 CA GLY A 37 24.674 32.831 3.244 1.00 0.00 ATOM 286 O GLY A 37 25.268 34.864 4.320 1.00 0.00 ATOM 287 C GLY A 37 24.892 33.711 4.457 1.00 0.00 ATOM 288 N SER A 38 24.673 33.152 5.712 1.00 0.00 ATOM 289 CA SER A 38 24.882 33.904 6.950 1.00 0.00 ATOM 290 CB SER A 38 24.424 33.047 8.130 1.00 0.00 ATOM 291 OG SER A 38 23.021 32.849 8.103 1.00 0.00 ATOM 292 O SER A 38 26.714 35.324 7.536 1.00 0.00 ATOM 293 C SER A 38 26.362 34.224 7.129 1.00 0.00 ATOM 294 N THR A 39 27.220 33.257 6.832 1.00 0.00 ATOM 295 CA THR A 39 28.656 33.437 6.967 1.00 0.00 ATOM 296 CB THR A 39 29.420 32.135 6.667 1.00 0.00 ATOM 297 CG2 THR A 39 30.920 32.359 6.774 1.00 0.00 ATOM 298 OG1 THR A 39 29.034 31.123 7.604 1.00 0.00 ATOM 299 O THR A 39 29.952 35.388 6.418 1.00 0.00 ATOM 300 C THR A 39 29.182 34.516 6.008 1.00 0.00 ATOM 301 N GLY A 40 28.772 34.465 4.744 1.00 0.00 ATOM 302 CA GLY A 40 29.226 35.452 3.767 1.00 0.00 ATOM 303 O GLY A 40 29.447 37.828 3.784 1.00 0.00 ATOM 304 C GLY A 40 28.749 36.867 4.090 1.00 0.00 ATOM 305 N SER A 41 27.553 36.994 4.665 1.00 0.00 ATOM 306 CA SER A 41 27.026 38.305 5.065 1.00 0.00 ATOM 307 CB SER A 41 25.790 38.310 5.761 1.00 0.00 ATOM 308 OG SER A 41 25.756 37.448 6.860 1.00 0.00 ATOM 309 O SER A 41 28.380 40.035 5.997 1.00 0.00 ATOM 310 C SER A 41 27.975 38.885 6.098 1.00 0.00 ATOM 311 N HIS A 42 28.379 38.071 7.068 1.00 0.00 ATOM 312 CA HIS A 42 29.303 38.507 8.104 1.00 0.00 ATOM 313 CB HIS A 42 29.574 37.370 9.091 1.00 0.00 ATOM 314 CG HIS A 42 30.582 37.712 10.144 1.00 0.00 ATOM 315 CD2 HIS A 42 31.980 37.388 10.388 1.00 0.00 ATOM 316 ND1 HIS A 42 30.288 38.521 11.221 1.00 0.00 ATOM 317 CE1 HIS A 42 31.388 38.644 11.988 1.00 0.00 ATOM 318 NE2 HIS A 42 32.406 37.968 11.493 1.00 0.00 ATOM 319 O HIS A 42 31.060 40.070 7.697 1.00 0.00 ATOM 320 C HIS A 42 30.625 38.938 7.505 1.00 0.00 ATOM 321 N ASP A 43 31.268 38.024 6.786 1.00 0.00 ATOM 322 CA ASP A 43 32.556 38.309 6.170 1.00 0.00 ATOM 323 CB ASP A 43 32.984 37.154 5.262 1.00 0.00 ATOM 324 CG ASP A 43 33.413 35.928 6.042 1.00 0.00 ATOM 325 OD1 ASP A 43 33.596 36.041 7.274 1.00 0.00 ATOM 326 OD2 ASP A 43 33.567 34.853 5.424 1.00 0.00 ATOM 327 O ASP A 43 33.460 40.376 5.396 1.00 0.00 ATOM 328 C ASP A 43 32.543 39.567 5.317 1.00 0.00 ATOM 329 N PHE A 44 31.506 39.740 4.506 1.00 0.00 ATOM 330 CA PHE A 44 31.404 40.908 3.646 1.00 0.00 ATOM 331 CB PHE A 44 30.140 40.911 2.826 1.00 0.00 ATOM 332 CG PHE A 44 30.148 41.941 1.712 1.00 0.00 ATOM 333 CD1 PHE A 44 31.075 41.862 0.676 1.00 0.00 ATOM 334 CD2 PHE A 44 29.207 42.971 1.694 1.00 0.00 ATOM 335 CE1 PHE A 44 31.066 42.797 -0.371 1.00 0.00 ATOM 336 CE2 PHE A 44 29.184 43.909 0.661 1.00 0.00 ATOM 337 CZ PHE A 44 30.118 43.821 -0.377 1.00 0.00 ATOM 338 O PHE A 44 32.087 43.138 4.153 1.00 0.00 ATOM 339 C PHE A 44 31.379 42.178 4.478 1.00 0.00 ATOM 340 N SER A 45 30.449 42.257 5.508 1.00 0.00 ATOM 341 CA SER A 45 30.409 43.443 6.372 1.00 0.00 ATOM 342 CB SER A 45 29.471 43.210 7.557 1.00 0.00 ATOM 343 OG SER A 45 28.127 43.074 7.125 1.00 0.00 ATOM 344 O SER A 45 32.191 44.961 6.889 1.00 0.00 ATOM 345 C SER A 45 31.782 43.801 6.924 1.00 0.00 ATOM 346 N GLY A 46 32.508 42.796 7.402 1.00 0.00 ATOM 347 CA GLY A 46 33.838 43.015 7.954 1.00 0.00 ATOM 348 O GLY A 46 35.569 44.450 7.089 1.00 0.00 ATOM 349 C GLY A 46 34.836 43.479 6.891 1.00 0.00 ATOM 350 N LYS A 47 34.860 42.765 5.772 1.00 0.00 ATOM 351 CA LYS A 47 35.778 43.051 4.679 1.00 0.00 ATOM 352 CB LYS A 47 35.639 42.000 3.575 1.00 0.00 ATOM 353 CG LYS A 47 36.167 40.627 3.953 1.00 0.00 ATOM 354 CD LYS A 47 36.001 39.638 2.812 1.00 0.00 ATOM 355 CE LYS A 47 36.507 38.258 3.200 1.00 0.00 ATOM 356 NZ LYS A 47 36.319 37.269 2.103 1.00 0.00 ATOM 357 O LYS A 47 36.500 45.138 3.753 1.00 0.00 ATOM 358 C LYS A 47 35.549 44.410 4.037 1.00 0.00 ATOM 359 N MET A 48 34.295 44.759 3.792 1.00 0.00 ATOM 360 CA MET A 48 33.983 46.039 3.178 1.00 0.00 ATOM 361 CB MET A 48 32.491 46.148 2.866 1.00 0.00 ATOM 362 CG MET A 48 32.019 45.224 1.755 1.00 0.00 ATOM 363 SD MET A 48 32.816 45.570 0.176 1.00 0.00 ATOM 364 CE MET A 48 34.128 44.350 0.184 1.00 0.00 ATOM 365 O MET A 48 34.968 48.157 3.708 1.00 0.00 ATOM 366 C MET A 48 34.367 47.168 4.124 1.00 0.00 ATOM 367 N ASP A 49 34.006 47.022 5.380 1.00 0.00 ATOM 368 CA ASP A 49 34.335 48.033 6.379 1.00 0.00 ATOM 369 CB ASP A 49 33.803 47.678 7.718 1.00 0.00 ATOM 370 CG ASP A 49 34.249 48.684 8.794 1.00 0.00 ATOM 371 OD1 ASP A 49 34.202 49.882 8.526 1.00 0.00 ATOM 372 OD2 ASP A 49 34.665 48.291 9.874 1.00 0.00 ATOM 373 O ASP A 49 36.361 49.330 6.415 1.00 0.00 ATOM 374 C ASP A 49 35.857 48.210 6.401 1.00 0.00 ATOM 375 N GLY A 50 36.586 47.097 6.392 1.00 0.00 ATOM 376 CA GLY A 50 38.038 47.157 6.382 1.00 0.00 ATOM 377 O GLY A 50 39.654 48.411 5.127 1.00 0.00 ATOM 378 C GLY A 50 38.598 47.791 5.104 1.00 0.00 ATOM 379 N ALA A 51 37.885 47.629 3.995 1.00 0.00 ATOM 380 CA ALA A 51 38.308 48.196 2.718 1.00 0.00 ATOM 381 CB ALA A 51 37.792 47.350 1.565 1.00 0.00 ATOM 382 O ALA A 51 38.173 50.300 1.608 1.00 0.00 ATOM 383 C ALA A 51 37.783 49.604 2.537 1.00 0.00 ATOM 384 N ILE A 52 36.855 49.997 3.407 1.00 0.00 ATOM 385 CA ILE A 52 36.216 51.305 3.342 1.00 0.00 ATOM 386 CB ILE A 52 37.275 52.467 3.891 1.00 0.00 ATOM 387 CG1 ILE A 52 38.230 51.984 4.987 1.00 0.00 ATOM 388 CG2 ILE A 52 36.638 53.787 4.298 1.00 0.00 ATOM 389 CD1 ILE A 52 39.514 52.779 5.098 1.00 0.00 ATOM 390 O ILE A 52 35.404 52.428 1.360 1.00 0.00 ATOM 391 C ILE A 52 35.391 51.408 2.053 1.00 0.00 ATOM 392 N ILE A 53 34.783 50.166 1.749 1.00 0.00 ATOM 393 CA ILE A 53 33.919 50.060 0.574 1.00 0.00 ATOM 394 CB ILE A 53 34.390 48.943 -0.375 1.00 0.00 ATOM 395 CG1 ILE A 53 35.834 49.191 -0.816 1.00 0.00 ATOM 396 CG2 ILE A 53 33.509 48.891 -1.613 1.00 0.00 ATOM 397 CD1 ILE A 53 36.426 48.061 -1.630 1.00 0.00 ATOM 398 O ILE A 53 32.108 48.579 1.091 1.00 0.00 ATOM 399 C ILE A 53 32.553 49.725 1.150 1.00 0.00 ATOM 400 N TYR A 54 31.762 50.867 1.611 1.00 0.00 ATOM 401 CA TYR A 54 30.460 50.674 2.242 1.00 0.00 ATOM 402 CB TYR A 54 30.123 51.796 3.226 1.00 0.00 ATOM 403 CG TYR A 54 28.742 51.686 3.831 1.00 0.00 ATOM 404 CD1 TYR A 54 28.475 50.758 4.830 1.00 0.00 ATOM 405 CD2 TYR A 54 27.709 52.510 3.402 1.00 0.00 ATOM 406 CE1 TYR A 54 27.216 50.651 5.389 1.00 0.00 ATOM 407 CE2 TYR A 54 26.443 52.416 3.950 1.00 0.00 ATOM 408 CZ TYR A 54 26.203 51.476 4.951 1.00 0.00 ATOM 409 OH TYR A 54 24.948 51.370 5.506 1.00 0.00 ATOM 410 O TYR A 54 28.957 51.693 0.646 1.00 0.00 ATOM 411 C TYR A 54 29.225 50.725 1.361 1.00 0.00 ATOM 412 N GLU A 55 28.385 49.663 1.438 1.00 0.00 ATOM 413 CA GLU A 55 27.101 49.630 0.782 1.00 0.00 ATOM 414 CB GLU A 55 27.221 48.543 -0.290 1.00 0.00 ATOM 415 CG GLU A 55 28.251 48.845 -1.366 1.00 0.00 ATOM 416 CD GLU A 55 28.328 47.758 -2.420 1.00 0.00 ATOM 417 OE1 GLU A 55 27.609 46.747 -2.283 1.00 0.00 ATOM 418 OE2 GLU A 55 29.108 47.917 -3.383 1.00 0.00 ATOM 419 O GLU A 55 26.570 48.719 2.924 1.00 0.00 ATOM 420 C GLU A 55 26.142 49.259 1.900 1.00 0.00 ATOM 421 N VAL A 56 24.868 49.586 1.754 1.00 0.00 ATOM 422 CA VAL A 56 23.935 49.277 2.824 1.00 0.00 ATOM 423 CB VAL A 56 22.562 49.932 2.583 1.00 0.00 ATOM 424 CG1 VAL A 56 22.702 51.445 2.499 1.00 0.00 ATOM 425 CG2 VAL A 56 21.957 49.433 1.279 1.00 0.00 ATOM 426 O VAL A 56 24.070 46.993 2.104 1.00 0.00 ATOM 427 C VAL A 56 23.689 47.790 2.972 1.00 0.00 ATOM 428 N LEU A 57 23.076 47.422 4.089 1.00 0.00 ATOM 429 CA LEU A 57 22.802 46.033 4.403 1.00 0.00 ATOM 430 CB LEU A 57 22.101 45.917 5.758 1.00 0.00 ATOM 431 CG LEU A 57 21.850 44.499 6.274 1.00 0.00 ATOM 432 CD1 LEU A 57 23.163 43.751 6.450 1.00 0.00 ATOM 433 CD2 LEU A 57 21.138 44.533 7.617 1.00 0.00 ATOM 434 O LEU A 57 22.132 44.084 3.180 1.00 0.00 ATOM 435 C LEU A 57 21.945 45.283 3.391 1.00 0.00 ATOM 436 N SER A 58 20.983 45.989 2.798 1.00 0.00 ATOM 437 CA SER A 58 20.112 45.359 1.817 1.00 0.00 ATOM 438 CB SER A 58 19.051 46.332 1.298 1.00 0.00 ATOM 439 OG SER A 58 18.151 46.702 2.328 1.00 0.00 ATOM 440 O SER A 58 20.896 43.757 0.216 1.00 0.00 ATOM 441 C SER A 58 20.996 44.895 0.671 1.00 0.00 ATOM 442 N ASN A 59 21.912 45.767 0.265 1.00 0.00 ATOM 443 CA ASN A 59 22.850 45.474 -0.807 1.00 0.00 ATOM 444 CB ASN A 59 23.745 46.685 -1.082 1.00 0.00 ATOM 445 CG ASN A 59 23.006 47.807 -1.786 1.00 0.00 ATOM 446 ND2 ASN A 59 23.557 49.013 -1.712 1.00 0.00 ATOM 447 OD1 ASN A 59 21.955 47.589 -2.388 1.00 0.00 ATOM 448 O ASN A 59 23.851 43.328 -1.178 1.00 0.00 ATOM 449 C ASN A 59 23.734 44.294 -0.424 1.00 0.00 ATOM 450 N VAL A 60 24.298 44.351 0.810 1.00 0.00 ATOM 451 CA VAL A 60 25.176 43.304 1.310 1.00 0.00 ATOM 452 CB VAL A 60 25.647 43.636 2.747 1.00 0.00 ATOM 453 CG1 VAL A 60 26.478 42.478 3.309 1.00 0.00 ATOM 454 CG2 VAL A 60 26.454 44.926 2.734 1.00 0.00 ATOM 455 O VAL A 60 25.028 40.917 1.069 1.00 0.00 ATOM 456 C VAL A 60 24.448 41.962 1.368 1.00 0.00 ATOM 457 N GLY A 61 23.168 42.003 1.711 1.00 0.00 ATOM 458 CA GLY A 61 22.340 40.802 1.796 1.00 0.00 ATOM 459 O GLY A 61 22.260 38.968 0.263 1.00 0.00 ATOM 460 C GLY A 61 22.140 40.174 0.420 1.00 0.00 ATOM 461 N LEU A 62 21.855 41.011 -0.619 1.00 0.00 ATOM 462 CA LEU A 62 21.682 40.500 -1.968 1.00 0.00 ATOM 463 CB LEU A 62 21.239 41.630 -2.899 1.00 0.00 ATOM 464 CG LEU A 62 21.015 41.253 -4.365 1.00 0.00 ATOM 465 CD1 LEU A 62 19.918 40.207 -4.489 1.00 0.00 ATOM 466 CD2 LEU A 62 20.604 42.471 -5.177 1.00 0.00 ATOM 467 O LEU A 62 22.987 38.817 -3.063 1.00 0.00 ATOM 468 C LEU A 62 22.976 39.917 -2.500 1.00 0.00 ATOM 469 N GLU A 63 24.067 40.656 -2.323 1.00 0.00 ATOM 470 CA GLU A 63 25.384 40.212 -2.767 1.00 0.00 ATOM 471 CB GLU A 63 26.454 41.216 -2.456 1.00 0.00 ATOM 472 CG GLU A 63 26.405 42.420 -3.363 1.00 0.00 ATOM 473 CD GLU A 63 27.385 43.488 -2.967 1.00 0.00 ATOM 474 OE1 GLU A 63 27.617 43.720 -1.774 1.00 0.00 ATOM 475 OE2 GLU A 63 27.873 44.153 -3.871 1.00 0.00 ATOM 476 O GLU A 63 26.242 37.975 -2.807 1.00 0.00 ATOM 477 C GLU A 63 25.748 38.877 -2.129 1.00 0.00 ATOM 478 N ARG A 64 25.471 38.687 -0.833 1.00 0.00 ATOM 479 CA ARG A 64 25.753 37.454 -0.104 1.00 0.00 ATOM 480 CB ARG A 64 25.527 37.641 1.397 1.00 0.00 ATOM 481 CG ARG A 64 24.064 37.742 1.798 1.00 0.00 ATOM 482 CD ARG A 64 23.913 37.911 3.301 1.00 0.00 ATOM 483 NE ARG A 64 22.512 37.932 3.711 1.00 0.00 ATOM 484 CZ ARG A 64 22.101 38.167 4.953 1.00 0.00 ATOM 485 NH1 ARG A 64 20.804 38.167 5.233 1.00 0.00 ATOM 486 NH2 ARG A 64 22.986 38.403 5.911 1.00 0.00 ATOM 487 O ARG A 64 25.455 35.185 -0.853 1.00 0.00 ATOM 488 C ARG A 64 24.948 36.288 -0.662 1.00 0.00 ATOM 489 N ALA A 65 23.632 36.523 -0.917 1.00 0.00 ATOM 490 CA ALA A 65 22.784 35.443 -1.444 1.00 0.00 ATOM 491 CB ALA A 65 21.332 35.892 -1.445 1.00 0.00 ATOM 492 O ALA A 65 23.261 33.859 -3.196 1.00 0.00 ATOM 493 C ALA A 65 23.192 35.043 -2.864 1.00 0.00 ATOM 494 N GLU A 66 23.473 36.051 -3.685 1.00 0.00 ATOM 495 CA GLU A 66 23.906 35.867 -5.067 1.00 0.00 ATOM 496 CB GLU A 66 24.237 37.216 -5.710 1.00 0.00 ATOM 497 CG GLU A 66 23.023 38.090 -5.978 1.00 0.00 ATOM 498 CD GLU A 66 23.397 39.464 -6.499 1.00 0.00 ATOM 499 OE1 GLU A 66 24.609 39.757 -6.581 1.00 0.00 ATOM 500 OE2 GLU A 66 22.481 40.246 -6.825 1.00 0.00 ATOM 501 O GLU A 66 25.255 34.069 -5.913 1.00 0.00 ATOM 502 C GLU A 66 25.144 34.978 -5.089 1.00 0.00 ATOM 503 N ILE A 67 26.066 35.245 -4.169 1.00 0.00 ATOM 504 CA ILE A 67 27.291 34.463 -4.081 1.00 0.00 ATOM 505 CB ILE A 67 28.283 35.051 -3.082 1.00 0.00 ATOM 506 CG1 ILE A 67 28.779 36.409 -3.591 1.00 0.00 ATOM 507 CG2 ILE A 67 29.460 34.108 -2.895 1.00 0.00 ATOM 508 CD1 ILE A 67 29.698 37.128 -2.626 1.00 0.00 ATOM 509 O ILE A 67 27.474 32.074 -4.297 1.00 0.00 ATOM 510 C ILE A 67 26.985 33.020 -3.673 1.00 0.00 ATOM 511 N ALA A 68 26.208 32.860 -2.603 1.00 0.00 ATOM 512 CA ALA A 68 25.826 31.544 -2.091 1.00 0.00 ATOM 513 CB ALA A 68 24.787 31.686 -0.988 1.00 0.00 ATOM 514 O ALA A 68 25.619 29.534 -3.386 1.00 0.00 ATOM 515 C ALA A 68 25.238 30.695 -3.210 1.00 0.00 ATOM 516 N ASP A 69 24.319 31.269 -3.953 1.00 0.00 ATOM 517 CA ASP A 69 23.683 30.540 -5.048 1.00 0.00 ATOM 518 CB ASP A 69 22.595 31.398 -5.698 1.00 0.00 ATOM 519 CG ASP A 69 21.412 31.632 -4.781 1.00 0.00 ATOM 520 OD1 ASP A 69 20.935 30.655 -4.165 1.00 0.00 ATOM 521 OD2 ASP A 69 20.959 32.791 -4.679 1.00 0.00 ATOM 522 O ASP A 69 24.673 29.013 -6.587 1.00 0.00 ATOM 523 C ASP A 69 24.677 30.158 -6.139 1.00 0.00 ATOM 524 N LYS A 70 25.555 31.079 -6.540 1.00 0.00 ATOM 525 CA LYS A 70 26.554 30.754 -7.563 1.00 0.00 ATOM 526 CB LYS A 70 27.397 31.987 -7.899 1.00 0.00 ATOM 527 CG LYS A 70 26.644 33.066 -8.658 1.00 0.00 ATOM 528 CD LYS A 70 27.541 34.257 -8.960 1.00 0.00 ATOM 529 CE LYS A 70 26.782 35.347 -9.698 1.00 0.00 ATOM 530 NZ LYS A 70 27.639 36.533 -9.970 1.00 0.00 ATOM 531 O LYS A 70 27.805 28.711 -7.757 1.00 0.00 ATOM 532 C LYS A 70 27.470 29.648 -7.040 1.00 0.00 ATOM 533 N PHE A 71 27.864 29.770 -5.784 1.00 0.00 ATOM 534 CA PHE A 71 28.771 28.828 -5.160 1.00 0.00 ATOM 535 CB PHE A 71 29.133 29.290 -3.747 1.00 0.00 ATOM 536 CG PHE A 71 30.171 28.436 -3.077 1.00 0.00 ATOM 537 CD1 PHE A 71 31.500 28.513 -3.457 1.00 0.00 ATOM 538 CD2 PHE A 71 29.821 27.556 -2.069 1.00 0.00 ATOM 539 CE1 PHE A 71 32.457 27.729 -2.841 1.00 0.00 ATOM 540 CE2 PHE A 71 30.776 26.772 -1.452 1.00 0.00 ATOM 541 CZ PHE A 71 32.090 26.854 -1.835 1.00 0.00 ATOM 542 O PHE A 71 28.971 26.448 -5.021 1.00 0.00 ATOM 543 C PHE A 71 28.213 27.415 -5.022 1.00 0.00 ATOM 544 N ASP A 72 26.909 27.301 -4.812 1.00 0.00 ATOM 545 CA ASP A 72 26.293 25.990 -4.652 1.00 0.00 ATOM 546 CB ASP A 72 25.105 26.070 -3.692 1.00 0.00 ATOM 547 CG ASP A 72 25.518 26.437 -2.282 1.00 0.00 ATOM 548 OD1 ASP A 72 26.459 25.806 -1.755 1.00 0.00 ATOM 549 OD2 ASP A 72 24.903 27.358 -1.702 1.00 0.00 ATOM 550 O ASP A 72 25.458 24.216 -6.032 1.00 0.00 ATOM 551 C ASP A 72 25.769 25.404 -5.958 1.00 0.00 ATOM 552 N LYS A 73 25.579 26.374 -6.997 1.00 0.00 ATOM 553 CA LYS A 73 25.052 25.915 -8.268 1.00 0.00 ATOM 554 CB LYS A 73 25.373 24.434 -8.477 1.00 0.00 ATOM 555 CG LYS A 73 26.857 24.133 -8.601 1.00 0.00 ATOM 556 CD LYS A 73 27.102 22.655 -8.863 1.00 0.00 ATOM 557 CE LYS A 73 28.587 22.350 -8.958 1.00 0.00 ATOM 558 NZ LYS A 73 28.842 20.909 -9.241 1.00 0.00 ATOM 559 O LYS A 73 22.952 25.641 -9.369 1.00 0.00 ATOM 560 C LYS A 73 23.548 26.062 -8.376 1.00 0.00 ATOM 561 N ALA A 74 22.937 26.679 -7.367 1.00 0.00 ATOM 562 CA ALA A 74 21.491 26.887 -7.342 1.00 0.00 ATOM 563 CB ALA A 74 21.030 27.246 -5.938 1.00 0.00 ATOM 564 O ALA A 74 21.765 29.007 -8.416 1.00 0.00 ATOM 565 C ALA A 74 21.060 28.010 -8.270 1.00 0.00 ATOM 566 N LYS A 75 19.885 27.855 -8.871 1.00 0.00 ATOM 567 CA LYS A 75 19.351 28.872 -9.762 1.00 0.00 ATOM 568 CB LYS A 75 18.551 28.227 -10.895 1.00 0.00 ATOM 569 CG LYS A 75 18.022 29.214 -11.922 1.00 0.00 ATOM 570 CD LYS A 75 17.245 28.506 -13.020 1.00 0.00 ATOM 571 CE LYS A 75 16.786 29.482 -14.090 1.00 0.00 ATOM 572 NZ LYS A 75 16.000 28.807 -15.158 1.00 0.00 ATOM 573 O LYS A 75 17.363 29.359 -8.500 1.00 0.00 ATOM 574 C LYS A 75 18.438 29.777 -8.939 1.00 0.00 ATOM 575 N GLU A 76 18.881 31.004 -8.708 1.00 0.00 ATOM 576 CA GLU A 76 18.122 31.968 -7.917 1.00 0.00 ATOM 577 CB GLU A 76 18.902 32.103 -6.543 1.00 0.00 ATOM 578 CG GLU A 76 18.637 31.025 -5.520 1.00 0.00 ATOM 579 CD GLU A 76 17.321 31.219 -4.797 1.00 0.00 ATOM 580 OE1 GLU A 76 16.341 31.690 -5.421 1.00 0.00 ATOM 581 OE2 GLU A 76 17.270 30.889 -3.603 1.00 0.00 ATOM 582 O GLU A 76 18.207 33.941 -9.286 1.00 0.00 ATOM 583 C GLU A 76 17.503 33.080 -8.756 1.00 0.00 ATOM 584 N THR A 77 16.185 33.043 -8.897 1.00 0.00 ATOM 585 CA THR A 77 15.473 34.068 -9.646 1.00 0.00 ATOM 586 CB THR A 77 14.137 33.538 -10.196 1.00 0.00 ATOM 587 CG2 THR A 77 14.365 32.305 -11.056 1.00 0.00 ATOM 588 OG1 THR A 77 13.272 33.192 -9.107 1.00 0.00 ATOM 589 O THR A 77 15.338 35.129 -7.493 1.00 0.00 ATOM 590 C THR A 77 15.193 35.250 -8.710 1.00 0.00 ATOM 591 N TYR A 78 14.774 36.373 -9.278 1.00 0.00 ATOM 592 CA TYR A 78 14.486 37.580 -8.506 1.00 0.00 ATOM 593 CB TYR A 78 13.939 38.681 -9.416 1.00 0.00 ATOM 594 CG TYR A 78 13.577 39.955 -8.686 1.00 0.00 ATOM 595 CD1 TYR A 78 14.556 40.869 -8.324 1.00 0.00 ATOM 596 CD2 TYR A 78 12.257 40.238 -8.363 1.00 0.00 ATOM 597 CE1 TYR A 78 14.235 42.036 -7.657 1.00 0.00 ATOM 598 CE2 TYR A 78 11.916 41.400 -7.697 1.00 0.00 ATOM 599 CZ TYR A 78 12.920 42.301 -7.344 1.00 0.00 ATOM 600 OH TYR A 78 12.597 43.462 -6.681 1.00 0.00 ATOM 601 O TYR A 78 13.514 37.943 -6.353 1.00 0.00 ATOM 602 C TYR A 78 13.402 37.386 -7.442 1.00 0.00 ATOM 603 N ILE A 79 12.356 36.608 -7.716 1.00 0.00 ATOM 604 CA ILE A 79 11.281 36.440 -6.786 1.00 0.00 ATOM 605 CB ILE A 79 10.071 35.687 -7.281 1.00 0.00 ATOM 606 CG1 ILE A 79 9.399 36.537 -8.356 1.00 0.00 ATOM 607 CG2 ILE A 79 9.083 35.419 -6.155 1.00 0.00 ATOM 608 CD1 ILE A 79 8.338 35.795 -9.138 1.00 0.00 ATOM 609 O ILE A 79 11.606 36.185 -4.395 1.00 0.00 ATOM 610 C ILE A 79 11.803 35.742 -5.522 1.00 0.00 ATOM 611 N ALA A 80 12.471 34.554 -5.635 1.00 0.00 ATOM 612 CA ALA A 80 12.975 33.828 -4.463 1.00 0.00 ATOM 613 CB ALA A 80 13.670 32.562 -4.941 1.00 0.00 ATOM 614 O ALA A 80 14.144 34.571 -2.511 1.00 0.00 ATOM 615 C ALA A 80 13.995 34.685 -3.729 1.00 0.00 ATOM 616 N LEU A 81 14.690 35.540 -4.476 1.00 0.00 ATOM 617 CA LEU A 81 15.693 36.422 -3.901 1.00 0.00 ATOM 618 CB LEU A 81 16.363 37.256 -4.995 1.00 0.00 ATOM 619 CG LEU A 81 17.287 36.500 -5.952 1.00 0.00 ATOM 620 CD1 LEU A 81 17.729 37.402 -7.096 1.00 0.00 ATOM 621 CD2 LEU A 81 18.527 36.008 -5.226 1.00 0.00 ATOM 622 O LEU A 81 15.445 37.438 -1.742 1.00 0.00 ATOM 623 C LEU A 81 15.026 37.356 -2.900 1.00 0.00 ATOM 624 N PHE A 82 13.974 38.037 -3.336 1.00 0.00 ATOM 625 CA PHE A 82 13.247 38.952 -2.470 1.00 0.00 ATOM 626 CB PHE A 82 12.095 39.611 -3.233 1.00 0.00 ATOM 627 CG PHE A 82 11.269 40.545 -2.395 1.00 0.00 ATOM 628 CD1 PHE A 82 11.712 41.827 -2.121 1.00 0.00 ATOM 629 CD2 PHE A 82 10.050 40.141 -1.880 1.00 0.00 ATOM 630 CE1 PHE A 82 10.952 42.686 -1.350 1.00 0.00 ATOM 631 CE2 PHE A 82 9.290 41.000 -1.109 1.00 0.00 ATOM 632 CZ PHE A 82 9.735 42.268 -0.844 1.00 0.00 ATOM 633 O PHE A 82 12.753 38.711 -0.126 1.00 0.00 ATOM 634 C PHE A 82 12.646 38.240 -1.256 1.00 0.00 ATOM 635 N ARG A 83 12.016 37.090 -1.500 1.00 0.00 ATOM 636 CA ARG A 83 11.383 36.318 -0.440 1.00 0.00 ATOM 637 CB ARG A 83 10.783 35.025 -0.997 1.00 0.00 ATOM 638 CG ARG A 83 9.547 35.235 -1.857 1.00 0.00 ATOM 639 CD ARG A 83 9.032 33.917 -2.413 1.00 0.00 ATOM 640 NE ARG A 83 7.871 34.107 -3.281 1.00 0.00 ATOM 641 CZ ARG A 83 7.263 33.126 -3.940 1.00 0.00 ATOM 642 NH1 ARG A 83 6.214 33.392 -4.706 1.00 0.00 ATOM 643 NH2 ARG A 83 7.704 31.880 -3.828 1.00 0.00 ATOM 644 O ARG A 83 12.057 36.087 1.852 1.00 0.00 ATOM 645 C ARG A 83 12.352 35.910 0.669 1.00 0.00 ATOM 646 N GLU A 84 13.494 35.389 0.296 1.00 0.00 ATOM 647 CA GLU A 84 14.493 35.005 1.288 1.00 0.00 ATOM 648 CB GLU A 84 15.674 34.302 0.618 1.00 0.00 ATOM 649 CG GLU A 84 15.346 32.920 0.074 1.00 0.00 ATOM 650 CD GLU A 84 16.501 32.305 -0.691 1.00 0.00 ATOM 651 OE1 GLU A 84 17.533 32.989 -0.859 1.00 0.00 ATOM 652 OE2 GLU A 84 16.375 31.140 -1.122 1.00 0.00 ATOM 653 O GLU A 84 15.195 36.216 3.235 1.00 0.00 ATOM 654 C GLU A 84 15.015 36.237 2.019 1.00 0.00 ATOM 655 N ARG A 85 15.251 37.310 1.275 1.00 0.00 ATOM 656 CA ARG A 85 15.737 38.547 1.872 1.00 0.00 ATOM 657 CB ARG A 85 16.071 39.589 0.786 1.00 0.00 ATOM 658 CG ARG A 85 17.356 39.307 0.031 1.00 0.00 ATOM 659 CD ARG A 85 17.848 40.548 -0.707 1.00 0.00 ATOM 660 NE ARG A 85 16.934 40.977 -1.763 1.00 0.00 ATOM 661 CZ ARG A 85 16.748 40.323 -2.907 1.00 0.00 ATOM 662 NH1 ARG A 85 17.417 39.203 -3.148 1.00 0.00 ATOM 663 NH2 ARG A 85 15.895 40.792 -3.811 1.00 0.00 ATOM 664 O ARG A 85 15.092 39.691 3.890 1.00 0.00 ATOM 665 C ARG A 85 14.716 39.117 2.866 1.00 0.00 ATOM 666 N ALA A 86 13.432 38.901 2.590 1.00 0.00 ATOM 667 CA ALA A 86 12.358 39.377 3.464 1.00 0.00 ATOM 668 CB ALA A 86 11.015 39.277 2.757 1.00 0.00 ATOM 669 O ALA A 86 11.553 38.984 5.699 1.00 0.00 ATOM 670 C ALA A 86 12.245 38.572 4.764 1.00 0.00 ATOM 671 N ARG A 87 12.919 37.398 4.836 1.00 0.00 ATOM 672 CA ARG A 87 12.905 36.568 6.039 1.00 0.00 ATOM 673 CB ARG A 87 13.732 35.296 5.857 1.00 0.00 ATOM 674 CG ARG A 87 15.228 35.540 5.729 1.00 0.00 ATOM 675 CD ARG A 87 15.973 34.252 5.421 1.00 0.00 ATOM 676 NE ARG A 87 17.407 34.479 5.248 1.00 0.00 ATOM 677 CZ ARG A 87 17.951 35.023 4.163 1.00 0.00 ATOM 678 NH1 ARG A 87 19.265 35.190 4.094 1.00 0.00 ATOM 679 NH2 ARG A 87 17.179 35.399 3.152 1.00 0.00 ATOM 680 O ARG A 87 12.976 37.197 8.348 1.00 0.00 ATOM 681 C ARG A 87 13.409 37.391 7.215 1.00 0.00 ATOM 682 N ARG A 88 14.345 38.399 6.979 1.00 0.00 ATOM 683 CA ARG A 88 14.917 39.253 8.011 1.00 0.00 ATOM 684 CB ARG A 88 16.102 40.070 7.492 1.00 0.00 ATOM 685 CG ARG A 88 17.304 39.233 7.089 1.00 0.00 ATOM 686 CD ARG A 88 18.435 40.107 6.569 1.00 0.00 ATOM 687 NE ARG A 88 18.091 40.752 5.304 1.00 0.00 ATOM 688 CZ ARG A 88 18.907 41.554 4.628 1.00 0.00 ATOM 689 NH1 ARG A 88 18.507 42.096 3.486 1.00 0.00 ATOM 690 NH2 ARG A 88 20.121 41.809 5.095 1.00 0.00 ATOM 691 O ARG A 88 14.171 40.525 9.930 1.00 0.00 ATOM 692 C ARG A 88 13.970 40.201 8.743 1.00 0.00 ATOM 693 N GLU A 89 12.957 40.649 8.022 1.00 0.00 ATOM 694 CA GLU A 89 11.958 41.572 8.558 1.00 0.00 ATOM 695 CB GLU A 89 11.224 42.284 7.420 1.00 0.00 ATOM 696 CG GLU A 89 12.111 43.183 6.574 1.00 0.00 ATOM 697 CD GLU A 89 11.355 43.852 5.445 1.00 0.00 ATOM 698 OE1 GLU A 89 10.157 43.547 5.268 1.00 0.00 ATOM 699 OE2 GLU A 89 11.960 44.684 4.735 1.00 0.00 ATOM 700 O GLU A 89 10.392 41.519 10.348 1.00 0.00 ATOM 701 C GLU A 89 11.048 40.858 9.526 1.00 0.00 ATOM 702 N ASP A 90 10.932 39.449 9.383 1.00 0.00 ATOM 703 CA ASP A 90 10.001 38.681 10.141 1.00 0.00 ATOM 704 CB ASP A 90 9.210 37.747 9.221 1.00 0.00 ATOM 705 CG ASP A 90 8.384 38.501 8.198 1.00 0.00 ATOM 706 OD1 ASP A 90 7.604 39.389 8.600 1.00 0.00 ATOM 707 OD2 ASP A 90 8.516 38.202 6.991 1.00 0.00 ATOM 708 O ASP A 90 10.011 36.792 11.609 1.00 0.00 ATOM 709 C ASP A 90 10.599 37.804 11.231 1.00 0.00 ATOM 710 N ILE A 91 11.754 38.193 11.754 1.00 0.00 ATOM 711 CA ILE A 91 12.391 37.404 12.802 1.00 0.00 ATOM 712 CB ILE A 91 13.821 37.899 13.092 1.00 0.00 ATOM 713 CG1 ILE A 91 14.737 37.605 11.901 1.00 0.00 ATOM 714 CG2 ILE A 91 14.387 37.204 14.320 1.00 0.00 ATOM 715 CD1 ILE A 91 16.096 38.261 12.000 1.00 0.00 ATOM 716 O ILE A 91 10.863 38.415 14.368 1.00 0.00 ATOM 717 C ILE A 91 11.624 37.476 14.122 1.00 0.00 ATOM 718 N THR A 92 11.825 36.472 14.962 1.00 0.00 ATOM 719 CA THR A 92 11.177 36.407 16.259 1.00 0.00 ATOM 720 CB THR A 92 10.516 35.035 16.487 1.00 0.00 ATOM 721 CG2 THR A 92 9.844 34.987 17.851 1.00 0.00 ATOM 722 OG1 THR A 92 9.528 34.803 15.475 1.00 0.00 ATOM 723 O THR A 92 13.385 36.239 17.166 1.00 0.00 ATOM 724 C THR A 92 12.234 36.639 17.327 1.00 0.00 ATOM 725 N LEU A 93 11.878 37.360 18.401 1.00 0.00 ATOM 726 CA LEU A 93 12.848 37.612 19.468 1.00 0.00 ATOM 727 CB LEU A 93 12.337 38.706 20.407 1.00 0.00 ATOM 728 CG LEU A 93 12.151 40.095 19.794 1.00 0.00 ATOM 729 CD1 LEU A 93 11.522 41.047 20.799 1.00 0.00 ATOM 730 CD2 LEU A 93 13.489 40.674 19.362 1.00 0.00 ATOM 731 O LEU A 93 12.277 35.494 20.389 1.00 0.00 ATOM 732 C LEU A 93 13.123 36.389 20.321 1.00 0.00 ATOM 733 N LEU A 94 14.259 36.315 20.971 1.00 0.00 ATOM 734 CA LEU A 94 14.561 35.275 21.949 1.00 0.00 ATOM 735 CB LEU A 94 15.996 35.375 22.473 1.00 0.00 ATOM 736 CG LEU A 94 17.107 35.272 21.426 1.00 0.00 ATOM 737 CD1 LEU A 94 18.469 35.508 22.065 1.00 0.00 ATOM 738 CD2 LEU A 94 17.115 33.895 20.783 1.00 0.00 ATOM 739 O LEU A 94 13.125 36.460 23.476 1.00 0.00 ATOM 740 C LEU A 94 13.545 35.363 23.089 1.00 0.00 ATOM 741 N GLU A 95 13.026 34.165 23.584 1.00 0.00 ATOM 742 CA GLU A 95 12.124 34.191 24.718 1.00 0.00 ATOM 743 CB GLU A 95 12.184 32.851 25.452 1.00 0.00 ATOM 744 CG GLU A 95 11.116 32.678 26.519 1.00 0.00 ATOM 745 CD GLU A 95 11.139 31.299 27.149 1.00 0.00 ATOM 746 OE1 GLU A 95 12.007 30.485 26.767 1.00 0.00 ATOM 747 OE2 GLU A 95 10.289 31.031 28.025 1.00 0.00 ATOM 748 O GLU A 95 11.212 35.841 26.196 1.00 0.00 ATOM 749 C GLU A 95 12.218 35.225 25.846 1.00 0.00 ATOM 750 N GLY A 96 13.410 35.416 26.410 1.00 0.00 ATOM 751 CA GLY A 96 13.593 36.387 27.493 1.00 0.00 ATOM 752 O GLY A 96 13.659 38.694 27.859 1.00 0.00 ATOM 753 C GLY A 96 13.737 37.817 27.033 1.00 0.00 ATOM 754 N VAL A 97 13.915 38.221 25.696 1.00 0.00 ATOM 755 CA VAL A 97 14.094 39.601 25.237 1.00 0.00 ATOM 756 CB VAL A 97 14.123 39.642 23.698 1.00 0.00 ATOM 757 CG1 VAL A 97 13.966 41.071 23.201 1.00 0.00 ATOM 758 CG2 VAL A 97 15.442 39.095 23.175 1.00 0.00 ATOM 759 O VAL A 97 13.209 41.682 26.051 1.00 0.00 ATOM 760 C VAL A 97 12.959 40.576 25.565 1.00 0.00 ATOM 761 N ARG A 98 11.698 40.192 25.314 1.00 0.00 ATOM 762 CA ARG A 98 10.541 41.042 25.586 1.00 0.00 ATOM 763 CB ARG A 98 9.249 40.338 25.166 1.00 0.00 ATOM 764 CG ARG A 98 7.990 41.155 25.407 1.00 0.00 ATOM 765 CD ARG A 98 6.748 40.398 24.964 1.00 0.00 ATOM 766 NE ARG A 98 5.531 41.181 25.165 1.00 0.00 ATOM 767 CZ ARG A 98 4.301 40.697 25.023 1.00 0.00 ATOM 768 NH1 ARG A 98 3.252 41.484 25.227 1.00 0.00 ATOM 769 NH2 ARG A 98 4.122 39.430 24.680 1.00 0.00 ATOM 770 O ARG A 98 10.304 42.581 27.445 1.00 0.00 ATOM 771 C ARG A 98 10.353 41.402 27.060 1.00 0.00 ATOM 772 N GLU A 99 10.260 40.403 27.919 1.00 0.00 ATOM 773 CA GLU A 99 10.016 40.670 29.330 1.00 0.00 ATOM 774 CB GLU A 99 9.662 39.376 30.066 1.00 0.00 ATOM 775 CG GLU A 99 8.299 38.808 29.702 1.00 0.00 ATOM 776 CD GLU A 99 8.022 37.480 30.381 1.00 0.00 ATOM 777 OE1 GLU A 99 8.921 36.975 31.085 1.00 0.00 ATOM 778 OE2 GLU A 99 6.907 36.946 30.208 1.00 0.00 ATOM 779 O GLU A 99 11.008 42.119 30.957 1.00 0.00 ATOM 780 C GLU A 99 11.212 41.268 30.024 1.00 0.00 ATOM 781 N LEU A 100 12.412 40.975 29.673 1.00 0.00 ATOM 782 CA LEU A 100 13.577 41.650 30.259 1.00 0.00 ATOM 783 CB LEU A 100 14.862 40.948 29.789 1.00 0.00 ATOM 784 CG LEU A 100 16.157 41.638 30.230 1.00 0.00 ATOM 785 CD1 LEU A 100 16.305 41.545 31.744 1.00 0.00 ATOM 786 CD2 LEU A 100 17.344 40.985 29.540 1.00 0.00 ATOM 787 O LEU A 100 13.862 43.997 30.670 1.00 0.00 ATOM 788 C LEU A 100 13.610 43.088 29.877 1.00 0.00 ATOM 789 N LEU A 101 13.229 43.407 28.604 1.00 0.00 ATOM 790 CA LEU A 101 13.224 44.808 28.207 1.00 0.00 ATOM 791 CB LEU A 101 13.083 44.936 26.689 1.00 0.00 ATOM 792 CG LEU A 101 14.269 44.451 25.854 1.00 0.00 ATOM 793 CD1 LEU A 101 13.936 44.491 24.371 1.00 0.00 ATOM 794 CD2 LEU A 101 15.488 45.329 26.092 1.00 0.00 ATOM 795 O LEU A 101 12.228 46.758 29.175 1.00 0.00 ATOM 796 C LEU A 101 12.064 45.593 28.823 1.00 0.00 ATOM 797 N ASP A 102 10.929 44.938 28.995 1.00 0.00 ATOM 798 CA ASP A 102 9.782 45.589 29.631 1.00 0.00 ATOM 799 CB ASP A 102 8.659 44.576 29.860 1.00 0.00 ATOM 800 CG ASP A 102 7.396 45.218 30.402 1.00 0.00 ATOM 801 OD1 ASP A 102 6.826 46.085 29.707 1.00 0.00 ATOM 802 OD2 ASP A 102 6.977 44.854 31.521 1.00 0.00 ATOM 803 O ASP A 102 9.801 47.361 31.268 1.00 0.00 ATOM 804 C ASP A 102 10.157 46.216 30.970 1.00 0.00 ATOM 805 N ALA A 103 10.827 45.426 31.795 1.00 0.00 ATOM 806 CA ALA A 103 11.240 45.846 33.119 1.00 0.00 ATOM 807 CB ALA A 103 11.902 44.694 33.858 1.00 0.00 ATOM 808 O ALA A 103 12.122 47.938 33.874 1.00 0.00 ATOM 809 C ALA A 103 12.229 46.995 33.087 1.00 0.00 ATOM 810 N LEU A 104 13.180 46.926 32.163 1.00 0.00 ATOM 811 CA LEU A 104 14.188 47.971 32.034 1.00 0.00 ATOM 812 CB LEU A 104 15.240 47.574 30.996 1.00 0.00 ATOM 813 CG LEU A 104 16.161 46.413 31.375 1.00 0.00 ATOM 814 CD1 LEU A 104 17.031 46.010 30.195 1.00 0.00 ATOM 815 CD2 LEU A 104 17.074 46.805 32.527 1.00 0.00 ATOM 816 O LEU A 104 13.856 50.351 32.191 1.00 0.00 ATOM 817 C LEU A 104 13.535 49.292 31.635 1.00 0.00 ATOM 818 N SER A 105 12.628 49.220 30.678 1.00 0.00 ATOM 819 CA SER A 105 11.931 50.415 30.218 1.00 0.00 ATOM 820 CB SER A 105 11.055 50.092 29.006 1.00 0.00 ATOM 821 OG SER A 105 9.974 49.250 29.366 1.00 0.00 ATOM 822 O SER A 105 10.940 52.208 31.452 1.00 0.00 ATOM 823 C SER A 105 11.061 50.992 31.331 1.00 0.00 ATOM 824 N SER A 106 10.463 50.131 32.147 1.00 0.00 ATOM 825 CA SER A 106 9.614 50.614 33.235 1.00 0.00 ATOM 826 CB SER A 106 8.954 49.442 33.962 1.00 0.00 ATOM 827 OG SER A 106 9.918 48.655 34.642 1.00 0.00 ATOM 828 O SER A 106 9.923 52.223 34.977 1.00 0.00 ATOM 829 C SER A 106 10.455 51.409 34.224 1.00 0.00 ATOM 830 N ARG A 107 11.759 51.176 34.222 1.00 0.00 ATOM 831 CA ARG A 107 12.677 51.879 35.118 1.00 0.00 ATOM 832 CB ARG A 107 14.098 51.336 34.961 1.00 0.00 ATOM 833 CG ARG A 107 14.287 49.924 35.493 1.00 0.00 ATOM 834 CD ARG A 107 15.687 49.408 35.203 1.00 0.00 ATOM 835 NE ARG A 107 16.707 50.152 35.937 1.00 0.00 ATOM 836 CZ ARG A 107 18.011 50.077 35.689 1.00 0.00 ATOM 837 NH1 ARG A 107 18.865 50.791 36.408 1.00 0.00 ATOM 838 NH2 ARG A 107 18.456 49.288 34.720 1.00 0.00 ATOM 839 O ARG A 107 12.570 53.808 33.675 1.00 0.00 ATOM 840 C ARG A 107 12.701 53.369 34.818 1.00 0.00 ATOM 841 N SER A 108 12.899 54.181 35.870 1.00 0.00 ATOM 842 CA SER A 108 12.990 55.623 35.667 1.00 0.00 ATOM 843 CB SER A 108 13.204 56.341 37.002 1.00 0.00 ATOM 844 OG SER A 108 14.460 56.004 37.566 1.00 0.00 ATOM 845 O SER A 108 14.029 57.015 34.034 1.00 0.00 ATOM 846 C SER A 108 14.140 56.019 34.754 1.00 0.00 ATOM 847 N ASP A 109 15.196 55.217 34.728 1.00 0.00 ATOM 848 CA ASP A 109 16.360 55.481 33.887 1.00 0.00 ATOM 849 CB ASP A 109 17.621 54.886 34.517 1.00 0.00 ATOM 850 CG ASP A 109 18.891 55.364 33.842 1.00 0.00 ATOM 851 OD1 ASP A 109 18.809 56.300 33.018 1.00 0.00 ATOM 852 OD2 ASP A 109 19.968 54.804 34.134 1.00 0.00 ATOM 853 O ASP A 109 17.103 55.063 31.643 1.00 0.00 ATOM 854 C ASP A 109 16.217 54.881 32.498 1.00 0.00 ATOM 855 N VAL A 110 16.364 53.282 32.251 1.00 0.00 ATOM 856 CA VAL A 110 17.512 53.213 31.358 1.00 0.00 ATOM 857 CB VAL A 110 18.137 51.804 31.352 1.00 0.00 ATOM 858 CG1 VAL A 110 19.222 51.708 30.292 1.00 0.00 ATOM 859 CG2 VAL A 110 18.758 51.493 32.705 1.00 0.00 ATOM 860 O VAL A 110 15.960 53.242 29.540 1.00 0.00 ATOM 861 C VAL A 110 17.084 53.544 29.942 1.00 0.00 ATOM 862 N LEU A 111 17.976 54.193 29.201 1.00 0.00 ATOM 863 CA LEU A 111 17.680 54.545 27.823 1.00 0.00 ATOM 864 CB LEU A 111 18.479 55.776 27.395 1.00 0.00 ATOM 865 CG LEU A 111 18.147 57.084 28.116 1.00 0.00 ATOM 866 CD1 LEU A 111 19.095 58.193 27.684 1.00 0.00 ATOM 867 CD2 LEU A 111 16.726 57.525 27.804 1.00 0.00 ATOM 868 O LEU A 111 19.327 53.005 26.989 1.00 0.00 ATOM 869 C LEU A 111 18.154 53.381 26.954 1.00 0.00 ATOM 870 N LEU A 112 17.229 52.796 26.223 1.00 0.00 ATOM 871 CA LEU A 112 17.519 51.634 25.391 1.00 0.00 ATOM 872 CB LEU A 112 16.404 50.595 25.519 1.00 0.00 ATOM 873 CG LEU A 112 16.144 50.046 26.923 1.00 0.00 ATOM 874 CD1 LEU A 112 14.932 49.129 26.928 1.00 0.00 ATOM 875 CD2 LEU A 112 17.343 49.252 27.419 1.00 0.00 ATOM 876 O LEU A 112 16.832 52.736 23.377 1.00 0.00 ATOM 877 C LEU A 112 17.654 51.999 23.920 1.00 0.00 ATOM 878 N GLY A 113 18.730 51.537 23.296 1.00 0.00 ATOM 879 CA GLY A 113 18.958 51.815 21.886 1.00 0.00 ATOM 880 O GLY A 113 19.973 49.630 21.746 1.00 0.00 ATOM 881 C GLY A 113 19.432 50.567 21.144 1.00 0.00 ATOM 882 N LEU A 114 19.153 50.537 19.851 1.00 0.00 ATOM 883 CA LEU A 114 19.579 49.450 18.986 1.00 0.00 ATOM 884 CB LEU A 114 18.373 48.820 18.284 1.00 0.00 ATOM 885 CG LEU A 114 17.306 48.205 19.191 1.00 0.00 ATOM 886 CD1 LEU A 114 16.110 47.738 18.374 1.00 0.00 ATOM 887 CD2 LEU A 114 17.865 47.007 19.942 1.00 0.00 ATOM 888 O LEU A 114 20.249 51.155 17.450 1.00 0.00 ATOM 889 C LEU A 114 20.529 50.082 17.975 1.00 0.00 ATOM 890 N LEU A 115 21.684 49.462 17.780 1.00 0.00 ATOM 891 CA LEU A 115 22.656 49.931 16.807 1.00 0.00 ATOM 892 CB LEU A 115 24.012 50.198 17.444 1.00 0.00 ATOM 893 CG LEU A 115 25.098 50.562 16.423 1.00 0.00 ATOM 894 CD1 LEU A 115 24.721 51.866 15.730 1.00 0.00 ATOM 895 CD2 LEU A 115 26.452 50.679 17.107 1.00 0.00 ATOM 896 O LEU A 115 23.539 47.761 16.308 1.00 0.00 ATOM 897 C LEU A 115 22.891 48.727 15.903 1.00 0.00 ATOM 898 N THR A 116 22.316 48.771 14.707 1.00 0.00 ATOM 899 CA THR A 116 22.421 47.677 13.743 1.00 0.00 ATOM 900 CB THR A 116 21.049 47.031 13.469 1.00 0.00 ATOM 901 CG2 THR A 116 20.402 46.584 14.770 1.00 0.00 ATOM 902 OG1 THR A 116 20.190 47.981 12.826 1.00 0.00 ATOM 903 O THR A 116 23.342 49.315 12.227 1.00 0.00 ATOM 904 C THR A 116 22.977 48.147 12.388 1.00 0.00 ATOM 905 N GLY A 117 23.018 47.236 11.413 1.00 0.00 ATOM 906 CA GLY A 117 23.539 47.529 10.077 1.00 0.00 ATOM 907 O GLY A 117 22.792 48.089 7.880 1.00 0.00 ATOM 908 C GLY A 117 22.471 47.718 9.009 1.00 0.00 ATOM 909 N ASN A 118 21.132 47.381 9.517 1.00 0.00 ATOM 910 CA ASN A 118 20.034 47.441 8.551 1.00 0.00 ATOM 911 CB ASN A 118 18.980 46.343 8.804 1.00 0.00 ATOM 912 CG ASN A 118 18.591 46.275 10.261 1.00 0.00 ATOM 913 ND2 ASN A 118 18.895 45.141 10.858 1.00 0.00 ATOM 914 OD1 ASN A 118 18.068 47.210 10.853 1.00 0.00 ATOM 915 O ASN A 118 19.726 49.580 9.574 1.00 0.00 ATOM 916 C ASN A 118 19.454 48.833 8.631 1.00 0.00 ATOM 917 N PHE A 119 18.647 49.178 7.634 1.00 0.00 ATOM 918 CA PHE A 119 18.013 50.486 7.573 1.00 0.00 ATOM 919 CB PHE A 119 17.151 50.604 6.314 1.00 0.00 ATOM 920 CG PHE A 119 17.945 50.706 5.042 1.00 0.00 ATOM 921 CD1 PHE A 119 18.138 49.596 4.241 1.00 0.00 ATOM 922 CD2 PHE A 119 18.497 51.912 4.650 1.00 0.00 ATOM 923 CE1 PHE A 119 18.869 49.689 3.071 1.00 0.00 ATOM 924 CE2 PHE A 119 19.228 52.006 3.480 1.00 0.00 ATOM 925 CZ PHE A 119 19.414 50.901 2.692 1.00 0.00 ATOM 926 O PHE A 119 16.737 49.734 9.457 1.00 0.00 ATOM 927 C PHE A 119 17.127 50.693 8.791 1.00 0.00 ATOM 928 N GLU A 120 16.814 51.953 9.118 1.00 0.00 ATOM 929 CA GLU A 120 15.954 52.197 10.280 1.00 0.00 ATOM 930 CB GLU A 120 15.922 53.681 10.591 1.00 0.00 ATOM 931 CG GLU A 120 15.158 53.975 11.883 1.00 0.00 ATOM 932 CD GLU A 120 15.196 55.459 12.175 1.00 0.00 ATOM 933 OE1 GLU A 120 15.741 56.202 11.371 1.00 0.00 ATOM 934 OE2 GLU A 120 14.673 55.861 13.215 1.00 0.00 ATOM 935 O GLU A 120 13.941 51.068 10.944 1.00 0.00 ATOM 936 C GLU A 120 14.592 51.562 10.023 1.00 0.00 ATOM 937 N ALA A 121 14.084 51.622 8.712 1.00 0.00 ATOM 938 CA ALA A 121 12.783 51.064 8.366 1.00 0.00 ATOM 939 CB ALA A 121 12.473 51.362 6.907 1.00 0.00 ATOM 940 O ALA A 121 11.722 49.039 9.094 1.00 0.00 ATOM 941 C ALA A 121 12.724 49.562 8.610 1.00 0.00 ATOM 942 N SER A 122 13.803 48.857 8.241 1.00 0.00 ATOM 943 CA SER A 122 13.862 47.409 8.421 1.00 0.00 ATOM 944 CB SER A 122 15.072 46.806 7.708 1.00 0.00 ATOM 945 OG SER A 122 14.969 46.962 6.303 1.00 0.00 ATOM 946 O SER A 122 13.294 46.137 10.380 1.00 0.00 ATOM 947 C SER A 122 13.952 47.064 9.903 1.00 0.00 ATOM 948 N GLY A 123 14.805 47.812 10.652 1.00 0.00 ATOM 949 CA GLY A 123 14.942 47.573 12.077 1.00 0.00 ATOM 950 O GLY A 123 13.190 47.041 13.636 1.00 0.00 ATOM 951 C GLY A 123 13.590 47.790 12.738 1.00 0.00 ATOM 952 N ARG A 124 12.856 48.821 12.263 1.00 0.00 ATOM 953 CA ARG A 124 11.534 49.117 12.806 1.00 0.00 ATOM 954 CB ARG A 124 10.960 50.380 12.161 1.00 0.00 ATOM 955 CG ARG A 124 11.652 51.663 12.587 1.00 0.00 ATOM 956 CD ARG A 124 11.083 52.867 11.855 1.00 0.00 ATOM 957 NE ARG A 124 11.757 54.107 12.233 1.00 0.00 ATOM 958 CZ ARG A 124 11.501 55.293 11.688 1.00 0.00 ATOM 959 NH1 ARG A 124 12.165 56.366 12.095 1.00 0.00 ATOM 960 NH2 ARG A 124 10.583 55.401 10.737 1.00 0.00 ATOM 961 O ARG A 124 9.805 47.587 13.457 1.00 0.00 ATOM 962 C ARG A 124 10.547 47.977 12.555 1.00 0.00 ATOM 963 N HIS A 125 10.556 47.442 11.339 1.00 0.00 ATOM 964 CA HIS A 125 9.667 46.346 10.964 1.00 0.00 ATOM 965 CB HIS A 125 9.956 45.887 9.533 1.00 0.00 ATOM 966 CG HIS A 125 9.554 46.882 8.489 1.00 0.00 ATOM 967 CD2 HIS A 125 8.753 48.097 8.465 1.00 0.00 ATOM 968 ND1 HIS A 125 9.946 46.778 7.172 1.00 0.00 ATOM 969 CE1 HIS A 125 9.433 47.809 6.478 1.00 0.00 ATOM 970 NE2 HIS A 125 8.715 48.606 7.249 1.00 0.00 ATOM 971 O HIS A 125 8.847 44.581 12.347 1.00 0.00 ATOM 972 C HIS A 125 9.837 45.141 11.878 1.00 0.00 ATOM 973 N LYS A 126 11.081 44.766 12.161 1.00 0.00 ATOM 974 CA LYS A 126 11.366 43.623 13.023 1.00 0.00 ATOM 975 CB LYS A 126 12.873 43.368 13.095 1.00 0.00 ATOM 976 CG LYS A 126 13.464 42.785 11.822 1.00 0.00 ATOM 977 CD LYS A 126 14.937 42.453 11.998 1.00 0.00 ATOM 978 CE LYS A 126 15.797 43.705 11.940 1.00 0.00 ATOM 979 NZ LYS A 126 17.246 43.390 12.078 1.00 0.00 ATOM 980 O LYS A 126 10.171 42.988 15.011 1.00 0.00 ATOM 981 C LYS A 126 10.865 43.845 14.454 1.00 0.00 ATOM 982 N LEU A 127 11.206 44.965 15.058 1.00 0.00 ATOM 983 CA LEU A 127 10.820 45.249 16.444 1.00 0.00 ATOM 984 CB LEU A 127 11.514 46.584 16.879 1.00 0.00 ATOM 985 CG LEU A 127 12.998 46.512 17.108 1.00 0.00 ATOM 986 CD1 LEU A 127 13.575 47.916 17.336 1.00 0.00 ATOM 987 CD2 LEU A 127 13.369 45.616 18.274 1.00 0.00 ATOM 988 O LEU A 127 8.766 44.859 17.616 1.00 0.00 ATOM 989 C LEU A 127 9.305 45.354 16.625 1.00 0.00 ATOM 990 N LYS A 128 8.625 46.002 15.681 1.00 0.00 ATOM 991 CA LYS A 128 7.169 46.155 15.734 1.00 0.00 ATOM 992 CB LYS A 128 6.682 47.037 14.582 1.00 0.00 ATOM 993 CG LYS A 128 7.075 48.499 14.711 1.00 0.00 ATOM 994 CD LYS A 128 6.555 49.316 13.537 1.00 0.00 ATOM 995 CE LYS A 128 6.977 50.771 13.648 1.00 0.00 ATOM 996 NZ LYS A 128 6.495 51.578 12.495 1.00 0.00 ATOM 997 O LYS A 128 5.483 44.531 16.267 1.00 0.00 ATOM 998 C LYS A 128 6.482 44.799 15.599 1.00 0.00 ATOM 999 N LEU A 129 7.069 43.943 14.767 1.00 0.00 ATOM 1000 CA LEU A 129 6.515 42.612 14.543 1.00 0.00 ATOM 1001 CB LEU A 129 7.355 41.874 13.499 1.00 0.00 ATOM 1002 CG LEU A 129 6.852 40.492 13.078 1.00 0.00 ATOM 1003 CD1 LEU A 129 5.464 40.589 12.463 1.00 0.00 ATOM 1004 CD2 LEU A 129 7.784 39.870 12.050 1.00 0.00 ATOM 1005 O LEU A 129 5.674 40.937 16.030 1.00 0.00 ATOM 1006 C LEU A 129 6.531 41.793 15.829 1.00 0.00 ATOM 1007 N PRO A 130 7.547 42.019 16.660 1.00 0.00 ATOM 1008 CA PRO A 130 7.684 41.309 17.927 1.00 0.00 ATOM 1009 CB PRO A 130 9.145 41.040 18.111 1.00 0.00 ATOM 1010 CG PRO A 130 9.838 41.911 17.130 1.00 0.00 ATOM 1011 CD PRO A 130 8.899 42.086 15.979 1.00 0.00 ATOM 1012 O PRO A 130 6.632 41.465 20.077 1.00 0.00 ATOM 1013 C PRO A 130 6.844 42.010 18.996 1.00 0.00 ATOM 1014 N GLY A 131 6.408 43.237 18.735 1.00 0.00 ATOM 1015 CA GLY A 131 5.620 43.964 19.715 1.00 0.00 ATOM 1016 O GLY A 131 6.093 45.199 21.713 1.00 0.00 ATOM 1017 C GLY A 131 6.539 44.697 20.682 1.00 0.00 ATOM 1018 N ILE A 132 7.813 44.808 20.323 1.00 0.00 ATOM 1019 CA ILE A 132 8.805 45.467 21.173 1.00 0.00 ATOM 1020 CB ILE A 132 10.152 44.723 21.150 1.00 0.00 ATOM 1021 CG1 ILE A 132 10.750 44.747 19.742 1.00 0.00 ATOM 1022 CG2 ILE A 132 9.967 43.272 21.570 1.00 0.00 ATOM 1023 CD1 ILE A 132 12.169 44.224 19.672 1.00 0.00 ATOM 1024 O ILE A 132 9.958 47.558 21.421 1.00 0.00 ATOM 1025 C ILE A 132 9.125 46.913 20.782 1.00 0.00 ATOM 1026 N ASP A 133 8.438 47.441 19.773 1.00 0.00 ATOM 1027 CA ASP A 133 8.704 48.805 19.318 1.00 0.00 ATOM 1028 CB ASP A 133 7.679 49.227 18.263 1.00 0.00 ATOM 1029 CG ASP A 133 7.990 50.581 17.657 1.00 0.00 ATOM 1030 OD1 ASP A 133 9.070 50.724 17.045 1.00 0.00 ATOM 1031 OD2 ASP A 133 7.155 51.499 17.793 1.00 0.00 ATOM 1032 O ASP A 133 9.485 50.794 20.406 1.00 0.00 ATOM 1033 C ASP A 133 8.655 49.893 20.396 1.00 0.00 ATOM 1034 N HIS A 134 7.716 49.780 21.325 1.00 0.00 ATOM 1035 CA HIS A 134 7.576 50.786 22.375 1.00 0.00 ATOM 1036 CB HIS A 134 6.292 50.551 23.173 1.00 0.00 ATOM 1037 CG HIS A 134 5.040 50.813 22.395 1.00 0.00 ATOM 1038 CD2 HIS A 134 3.951 50.000 21.875 1.00 0.00 ATOM 1039 ND1 HIS A 134 4.669 52.076 21.986 1.00 0.00 ATOM 1040 CE1 HIS A 134 3.507 51.994 21.313 1.00 0.00 ATOM 1041 NE2 HIS A 134 3.071 50.752 21.241 1.00 0.00 ATOM 1042 O HIS A 134 8.857 51.713 24.181 1.00 0.00 ATOM 1043 C HIS A 134 8.724 50.785 23.378 1.00 0.00 ATOM 1044 N TYR A 135 9.491 49.799 23.222 1.00 0.00 ATOM 1045 CA TYR A 135 10.546 49.605 24.199 1.00 0.00 ATOM 1046 CB TYR A 135 10.857 48.116 24.362 1.00 0.00 ATOM 1047 CG TYR A 135 9.741 47.324 25.001 1.00 0.00 ATOM 1048 CD1 TYR A 135 8.853 46.590 24.222 1.00 0.00 ATOM 1049 CD2 TYR A 135 9.576 47.309 26.380 1.00 0.00 ATOM 1050 CE1 TYR A 135 7.829 45.862 24.798 1.00 0.00 ATOM 1051 CE2 TYR A 135 8.557 46.588 26.972 1.00 0.00 ATOM 1052 CZ TYR A 135 7.681 45.861 26.167 1.00 0.00 ATOM 1053 OH TYR A 135 6.661 45.137 26.743 1.00 0.00 ATOM 1054 O TYR A 135 12.793 50.164 24.740 1.00 0.00 ATOM 1055 C TYR A 135 11.889 50.252 23.914 1.00 0.00 ATOM 1056 N PHE A 136 12.024 50.932 22.780 1.00 0.00 ATOM 1057 CA PHE A 136 13.303 51.554 22.443 1.00 0.00 ATOM 1058 CB PHE A 136 13.915 50.915 21.169 1.00 0.00 ATOM 1059 CG PHE A 136 14.135 49.434 21.256 1.00 0.00 ATOM 1060 CD1 PHE A 136 15.325 48.925 21.769 1.00 0.00 ATOM 1061 CD2 PHE A 136 13.134 48.545 20.882 1.00 0.00 ATOM 1062 CE1 PHE A 136 15.516 47.551 21.912 1.00 0.00 ATOM 1063 CE2 PHE A 136 13.315 47.167 21.021 1.00 0.00 ATOM 1064 CZ PHE A 136 14.509 46.671 21.537 1.00 0.00 ATOM 1065 O PHE A 136 12.401 53.587 21.523 1.00 0.00 ATOM 1066 C PHE A 136 13.272 53.062 22.214 1.00 0.00 ATOM 1067 N PRO A 137 14.247 53.746 22.802 1.00 0.00 ATOM 1068 CA PRO A 137 14.381 55.186 22.662 1.00 0.00 ATOM 1069 CB PRO A 137 15.298 55.634 23.753 1.00 0.00 ATOM 1070 CG PRO A 137 15.048 54.552 24.838 1.00 0.00 ATOM 1071 CD PRO A 137 14.938 53.253 24.061 1.00 0.00 ATOM 1072 O PRO A 137 14.580 56.495 20.661 1.00 0.00 ATOM 1073 C PRO A 137 14.950 55.499 21.284 1.00 0.00 ATOM 1074 N PHE A 138 15.870 54.655 20.810 1.00 0.00 ATOM 1075 CA PHE A 138 16.502 54.857 19.509 1.00 0.00 ATOM 1076 CB PHE A 138 17.788 55.288 19.585 1.00 0.00 ATOM 1077 CG PHE A 138 17.593 56.781 19.553 1.00 0.00 ATOM 1078 CD1 PHE A 138 17.118 57.392 18.390 1.00 0.00 ATOM 1079 CD2 PHE A 138 17.796 57.554 20.697 1.00 0.00 ATOM 1080 CE1 PHE A 138 16.907 58.756 18.337 1.00 0.00 ATOM 1081 CE2 PHE A 138 17.572 58.935 20.668 1.00 0.00 ATOM 1082 CZ PHE A 138 17.113 59.533 19.481 1.00 0.00 ATOM 1083 O PHE A 138 17.144 52.554 19.257 1.00 0.00 ATOM 1084 C PHE A 138 16.724 53.569 18.733 1.00 0.00 ATOM 1085 N GLY A 139 16.544 53.787 17.178 1.00 0.00 ATOM 1086 CA GLY A 139 16.861 52.724 16.246 1.00 0.00 ATOM 1087 O GLY A 139 17.565 54.030 14.346 1.00 0.00 ATOM 1088 C GLY A 139 17.896 53.245 15.235 1.00 0.00 ATOM 1089 N ALA A 140 19.149 52.831 15.409 1.00 0.00 ATOM 1090 CA ALA A 140 20.258 53.278 14.562 1.00 0.00 ATOM 1091 CB ALA A 140 21.467 53.640 15.411 1.00 0.00 ATOM 1092 O ALA A 140 20.888 51.080 13.810 1.00 0.00 ATOM 1093 C ALA A 140 20.774 52.273 13.533 1.00 0.00 ATOM 1094 N PHE A 141 21.123 52.797 12.363 1.00 0.00 ATOM 1095 CA PHE A 141 21.679 52.034 11.247 1.00 0.00 ATOM 1096 CB PHE A 141 20.603 51.826 10.129 1.00 0.00 ATOM 1097 CG PHE A 141 20.126 53.125 9.524 1.00 0.00 ATOM 1098 CD1 PHE A 141 20.562 53.508 8.204 1.00 0.00 ATOM 1099 CD2 PHE A 141 19.265 53.972 10.215 1.00 0.00 ATOM 1100 CE1 PHE A 141 20.093 54.754 7.639 1.00 0.00 ATOM 1101 CE2 PHE A 141 18.807 55.210 9.633 1.00 0.00 ATOM 1102 CZ PHE A 141 19.229 55.573 8.363 1.00 0.00 ATOM 1103 O PHE A 141 23.288 53.832 10.995 1.00 0.00 ATOM 1104 C PHE A 141 23.013 52.633 10.850 1.00 0.00 ATOM 1105 N ALA A 142 24.170 51.776 10.828 1.00 0.00 ATOM 1106 CA ALA A 142 25.512 52.253 10.554 1.00 0.00 ATOM 1107 CB ALA A 142 26.469 51.085 10.375 1.00 0.00 ATOM 1108 O ALA A 142 26.602 53.544 8.884 1.00 0.00 ATOM 1109 C ALA A 142 25.563 52.979 9.224 1.00 0.00 ATOM 1110 N ASP A 143 24.400 52.970 8.535 1.00 0.00 ATOM 1111 CA ASP A 143 24.335 53.670 7.225 1.00 0.00 ATOM 1112 CB ASP A 143 22.887 53.662 6.729 1.00 0.00 ATOM 1113 CG ASP A 143 22.738 54.289 5.357 1.00 0.00 ATOM 1114 OD1 ASP A 143 23.354 53.776 4.399 1.00 0.00 ATOM 1115 OD2 ASP A 143 22.005 55.294 5.240 1.00 0.00 ATOM 1116 O ASP A 143 25.280 55.568 6.157 1.00 0.00 ATOM 1117 C ASP A 143 24.652 55.166 7.172 1.00 0.00 ATOM 1118 N ASP A 144 24.335 55.929 8.141 1.00 0.00 ATOM 1119 CA ASP A 144 24.694 57.356 8.120 1.00 0.00 ATOM 1120 CB ASP A 144 24.169 58.096 9.350 1.00 0.00 ATOM 1121 CG ASP A 144 22.673 58.338 9.292 1.00 0.00 ATOM 1122 OD1 ASP A 144 22.083 58.146 8.206 1.00 0.00 ATOM 1123 OD2 ASP A 144 22.090 58.719 10.328 1.00 0.00 ATOM 1124 O ASP A 144 26.645 58.630 7.560 1.00 0.00 ATOM 1125 C ASP A 144 26.211 57.612 8.097 1.00 0.00 ATOM 1126 N ALA A 145 27.017 56.707 8.654 1.00 0.00 ATOM 1127 CA ALA A 145 28.469 56.909 8.637 1.00 0.00 ATOM 1128 CB ALA A 145 29.095 56.361 9.910 1.00 0.00 ATOM 1129 O ALA A 145 30.409 56.351 7.331 1.00 0.00 ATOM 1130 C ALA A 145 29.192 56.224 7.467 1.00 0.00 ATOM 1131 N LEU A 146 28.442 55.494 6.642 1.00 0.00 ATOM 1132 CA LEU A 146 28.986 54.811 5.460 1.00 0.00 ATOM 1133 CB LEU A 146 29.472 55.832 4.428 1.00 0.00 ATOM 1134 CG LEU A 146 28.440 56.854 3.948 1.00 0.00 ATOM 1135 CD1 LEU A 146 29.077 57.852 2.991 1.00 0.00 ATOM 1136 CD2 LEU A 146 27.297 56.162 3.221 1.00 0.00 ATOM 1137 O LEU A 146 31.057 53.745 4.868 1.00 0.00 ATOM 1138 C LEU A 146 30.178 53.883 5.715 1.00 0.00 ATOM 1139 N ASP A 147 30.173 53.213 6.860 1.00 0.00 ATOM 1140 CA ASP A 147 31.231 52.279 7.227 1.00 0.00 ATOM 1141 CB ASP A 147 32.351 52.438 7.729 1.00 0.00 ATOM 1142 CG ASP A 147 33.364 52.191 6.649 1.00 0.00 ATOM 1143 OD1 ASP A 147 32.997 51.491 5.642 1.00 0.00 ATOM 1144 OD2 ASP A 147 34.512 52.630 6.806 1.00 0.00 ATOM 1145 O ASP A 147 29.529 51.540 8.755 1.00 0.00 ATOM 1146 C ASP A 147 30.618 51.292 8.227 1.00 0.00 ATOM 1147 N ARG A 148 31.275 50.155 8.438 1.00 0.00 ATOM 1148 CA ARG A 148 30.784 49.131 9.358 1.00 0.00 ATOM 1149 CB ARG A 148 30.680 47.779 8.650 1.00 0.00 ATOM 1150 CG ARG A 148 29.744 47.777 7.452 1.00 0.00 ATOM 1151 CD ARG A 148 28.289 47.786 7.888 1.00 0.00 ATOM 1152 NE ARG A 148 27.375 47.686 6.752 1.00 0.00 ATOM 1153 CZ ARG A 148 26.062 47.507 6.862 1.00 0.00 ATOM 1154 NH1 ARG A 148 25.311 47.427 5.772 1.00 0.00 ATOM 1155 NH2 ARG A 148 25.505 47.411 8.060 1.00 0.00 ATOM 1156 O ARG A 148 32.785 49.581 10.621 1.00 0.00 ATOM 1157 C ARG A 148 31.695 48.999 10.554 1.00 0.00 ATOM 1158 N ASN A 149 31.085 48.278 11.637 1.00 0.00 ATOM 1159 CA ASN A 149 31.761 48.100 12.876 1.00 0.00 ATOM 1160 CB ASN A 149 31.056 47.258 13.917 1.00 0.00 ATOM 1161 CG ASN A 149 30.491 48.138 15.029 1.00 0.00 ATOM 1162 ND2 ASN A 149 30.281 47.555 16.173 1.00 0.00 ATOM 1163 OD1 ASN A 149 30.199 49.315 14.814 1.00 0.00 ATOM 1164 O ASN A 149 32.639 46.388 11.442 1.00 0.00 ATOM 1165 C ASN A 149 32.859 47.150 12.385 1.00 0.00 ATOM 1166 N GLU A 150 34.017 47.118 13.062 1.00 0.00 ATOM 1167 CA GLU A 150 34.350 47.915 14.242 1.00 0.00 ATOM 1168 CB GLU A 150 35.399 47.196 15.093 1.00 0.00 ATOM 1169 CG GLU A 150 36.727 46.973 14.387 1.00 0.00 ATOM 1170 CD GLU A 150 37.721 46.213 15.241 1.00 0.00 ATOM 1171 OE1 GLU A 150 38.048 46.696 16.346 1.00 0.00 ATOM 1172 OE2 GLU A 150 38.175 45.132 14.807 1.00 0.00 ATOM 1173 O GLU A 150 35.694 49.815 14.803 1.00 0.00 ATOM 1174 C GLU A 150 34.929 49.311 13.987 1.00 0.00 ATOM 1175 N LEU A 151 34.575 49.935 12.870 1.00 0.00 ATOM 1176 CA LEU A 151 35.070 51.277 12.576 1.00 0.00 ATOM 1177 CB LEU A 151 34.607 51.728 11.189 1.00 0.00 ATOM 1178 CG LEU A 151 35.124 53.086 10.711 1.00 0.00 ATOM 1179 CD1 LEU A 151 36.633 53.051 10.518 1.00 0.00 ATOM 1180 CD2 LEU A 151 34.484 53.469 9.385 1.00 0.00 ATOM 1181 O LEU A 151 33.297 52.301 13.850 1.00 0.00 ATOM 1182 C LEU A 151 34.509 52.231 13.647 1.00 0.00 ATOM 1183 N PRO A 152 35.397 52.966 14.311 1.00 0.00 ATOM 1184 CA PRO A 152 35.021 53.898 15.379 1.00 0.00 ATOM 1185 CB PRO A 152 36.320 54.636 15.701 1.00 0.00 ATOM 1186 CG PRO A 152 37.398 53.665 15.354 1.00 0.00 ATOM 1187 CD PRO A 152 36.935 52.954 14.114 1.00 0.00 ATOM 1188 O PRO A 152 33.260 55.392 15.968 1.00 0.00 ATOM 1189 C PRO A 152 33.946 54.922 15.065 1.00 0.00 ATOM 1190 N HIS A 153 33.788 55.263 13.794 1.00 0.00 ATOM 1191 CA HIS A 153 32.761 56.217 13.405 1.00 0.00 ATOM 1192 CB HIS A 153 32.805 56.465 11.897 1.00 0.00 ATOM 1193 CG HIS A 153 34.003 57.242 11.446 1.00 0.00 ATOM 1194 CD2 HIS A 153 35.146 56.978 10.583 1.00 0.00 ATOM 1195 ND1 HIS A 153 34.244 58.537 11.846 1.00 0.00 ATOM 1196 CE1 HIS A 153 35.387 58.964 11.282 1.00 0.00 ATOM 1197 NE2 HIS A 153 35.935 58.034 10.523 1.00 0.00 ATOM 1198 O HIS A 153 30.482 56.501 14.126 1.00 0.00 ATOM 1199 C HIS A 153 31.379 55.702 13.807 1.00 0.00 ATOM 1200 N ILE A 154 31.234 54.361 13.761 1.00 0.00 ATOM 1201 CA ILE A 154 29.976 53.728 14.158 1.00 0.00 ATOM 1202 CB ILE A 154 29.997 52.221 13.839 1.00 0.00 ATOM 1203 CG1 ILE A 154 30.172 51.999 12.335 1.00 0.00 ATOM 1204 CG2 ILE A 154 28.695 51.566 14.274 1.00 0.00 ATOM 1205 CD1 ILE A 154 29.066 52.599 11.495 1.00 0.00 ATOM 1206 O ILE A 154 28.589 54.291 16.039 1.00 0.00 ATOM 1207 C ILE A 154 29.687 53.904 15.655 1.00 0.00 ATOM 1208 N ALA A 155 30.689 53.648 16.487 1.00 0.00 ATOM 1209 CA ALA A 155 30.545 53.777 17.931 1.00 0.00 ATOM 1210 CB ALA A 155 31.797 53.227 18.639 1.00 0.00 ATOM 1211 O ALA A 155 29.534 55.531 19.267 1.00 0.00 ATOM 1212 C ALA A 155 30.292 55.239 18.318 1.00 0.00 ATOM 1213 N LEU A 156 30.912 56.087 17.556 1.00 0.00 ATOM 1214 CA LEU A 156 30.704 57.526 17.762 1.00 0.00 ATOM 1215 CB LEU A 156 31.602 58.450 16.935 1.00 0.00 ATOM 1216 CG LEU A 156 33.102 58.376 17.226 1.00 0.00 ATOM 1217 CD1 LEU A 156 33.884 59.215 16.227 1.00 0.00 ATOM 1218 CD2 LEU A 156 33.404 58.896 18.624 1.00 0.00 ATOM 1219 O LEU A 156 28.718 58.785 18.187 1.00 0.00 ATOM 1220 C LEU A 156 29.259 57.913 17.511 1.00 0.00 ATOM 1221 N GLU A 157 28.638 57.260 16.533 1.00 0.00 ATOM 1222 CA GLU A 157 27.246 57.514 16.171 1.00 0.00 ATOM 1223 CB GLU A 157 26.825 56.621 15.003 1.00 0.00 ATOM 1224 CG GLU A 157 25.399 56.851 14.527 1.00 0.00 ATOM 1225 CD GLU A 157 25.030 55.974 13.348 1.00 0.00 ATOM 1226 OE1 GLU A 157 25.893 55.194 12.894 1.00 0.00 ATOM 1227 OE2 GLU A 157 23.875 56.064 12.879 1.00 0.00 ATOM 1228 O GLU A 157 25.433 57.980 17.676 1.00 0.00 ATOM 1229 C GLU A 157 26.329 57.203 17.351 1.00 0.00 ATOM 1230 N ARG A 158 26.552 56.060 18.002 1.00 0.00 ATOM 1231 CA ARG A 158 25.729 55.671 19.138 1.00 0.00 ATOM 1232 CB ARG A 158 26.313 54.613 19.950 1.00 0.00 ATOM 1233 CG ARG A 158 26.144 53.316 19.205 1.00 0.00 ATOM 1234 CD ARG A 158 26.877 52.134 19.858 1.00 0.00 ATOM 1235 NE ARG A 158 26.543 50.886 19.172 1.00 0.00 ATOM 1236 CZ ARG A 158 27.250 49.761 19.281 1.00 0.00 ATOM 1237 NH1 ARG A 158 28.344 49.730 20.042 1.00 0.00 ATOM 1238 NH2 ARG A 158 26.841 48.659 18.666 1.00 0.00 ATOM 1239 O ARG A 158 24.957 57.012 20.969 1.00 0.00 ATOM 1240 C ARG A 158 25.916 56.657 20.283 1.00 0.00 ATOM 1241 N ALA A 159 27.151 57.104 20.469 1.00 0.00 ATOM 1242 CA ALA A 159 27.471 58.051 21.522 1.00 0.00 ATOM 1243 CB ALA A 159 28.967 58.323 21.554 1.00 0.00 ATOM 1244 O ALA A 159 26.095 59.910 22.167 1.00 0.00 ATOM 1245 C ALA A 159 26.699 59.339 21.259 1.00 0.00 ATOM 1246 N ARG A 160 26.716 59.799 20.002 1.00 0.00 ATOM 1247 CA ARG A 160 26.015 61.028 19.642 1.00 0.00 ATOM 1248 CB ARG A 160 26.261 61.322 18.179 1.00 0.00 ATOM 1249 CG ARG A 160 27.613 61.884 17.882 1.00 0.00 ATOM 1250 CD ARG A 160 27.659 62.226 16.379 1.00 0.00 ATOM 1251 NE ARG A 160 29.021 62.405 15.883 1.00 0.00 ATOM 1252 CZ ARG A 160 29.770 63.461 16.127 1.00 0.00 ATOM 1253 NH1 ARG A 160 29.296 64.459 16.870 1.00 0.00 ATOM 1254 NH2 ARG A 160 30.995 63.503 15.628 1.00 0.00 ATOM 1255 O ARG A 160 23.842 61.737 20.379 1.00 0.00 ATOM 1256 C ARG A 160 24.495 60.910 19.739 1.00 0.00 ATOM 1257 N ARG A 161 23.944 59.655 20.067 1.00 0.00 ATOM 1258 CA ARG A 161 22.694 59.395 19.354 1.00 0.00 ATOM 1259 CB ARG A 161 23.011 58.460 18.143 1.00 0.00 ATOM 1260 CG ARG A 161 21.799 58.115 17.260 1.00 0.00 ATOM 1261 CD ARG A 161 21.107 59.363 16.703 1.00 0.00 ATOM 1262 NE ARG A 161 22.030 60.157 15.895 1.00 0.00 ATOM 1263 CZ ARG A 161 22.306 59.925 14.617 1.00 0.00 ATOM 1264 NH1 ARG A 161 21.723 58.923 13.970 1.00 0.00 ATOM 1265 NH2 ARG A 161 23.200 60.679 13.988 1.00 0.00 ATOM 1266 O ARG A 161 20.418 59.100 20.036 1.00 0.00 ATOM 1267 C ARG A 161 21.597 58.799 20.228 1.00 0.00 ATOM 1268 N MET A 162 21.974 57.929 21.159 1.00 0.00 ATOM 1269 CA MET A 162 20.995 57.302 22.041 1.00 0.00 ATOM 1270 CB MET A 162 21.539 55.986 22.601 1.00 0.00 ATOM 1271 CG MET A 162 21.733 54.900 21.555 1.00 0.00 ATOM 1272 SD MET A 162 20.209 54.497 20.679 1.00 0.00 ATOM 1273 CE MET A 162 19.251 53.747 21.993 1.00 0.00 ATOM 1274 O MET A 162 19.630 57.821 23.938 1.00 0.00 ATOM 1275 C MET A 162 20.608 58.137 23.261 1.00 0.00 ATOM 1276 N THR A 163 21.388 59.177 23.563 1.00 0.00 ATOM 1277 CA THR A 163 21.098 60.028 24.695 1.00 0.00 ATOM 1278 CB THR A 163 22.124 59.860 25.820 1.00 0.00 ATOM 1279 CG2 THR A 163 22.170 58.420 26.290 1.00 0.00 ATOM 1280 OG1 THR A 163 23.412 60.246 25.331 1.00 0.00 ATOM 1281 O THR A 163 21.780 61.828 23.264 1.00 0.00 ATOM 1282 C THR A 163 21.050 61.476 24.226 1.00 0.00 ATOM 1283 N GLY A 164 20.218 62.281 24.812 1.00 0.00 ATOM 1284 CA GLY A 164 20.120 63.691 24.431 1.00 0.00 ATOM 1285 O GLY A 164 21.573 65.506 23.874 1.00 0.00 ATOM 1286 C GLY A 164 21.412 64.497 24.535 1.00 0.00 ATOM 1287 N ALA A 165 22.357 64.026 25.362 1.00 0.00 ATOM 1288 CA ALA A 165 23.640 64.711 25.538 1.00 0.00 ATOM 1289 CB ALA A 165 24.244 64.318 26.878 1.00 0.00 ATOM 1290 O ALA A 165 25.762 65.063 24.542 1.00 0.00 ATOM 1291 C ALA A 165 24.697 64.460 24.490 1.00 0.00 ATOM 1292 N ASN A 166 24.424 63.556 23.547 1.00 0.00 ATOM 1293 CA ASN A 166 25.421 63.184 22.553 1.00 0.00 ATOM 1294 CB ASN A 166 25.963 64.428 21.846 1.00 0.00 ATOM 1295 CG ASN A 166 24.929 65.088 20.955 1.00 0.00 ATOM 1296 ND2 ASN A 166 25.088 66.386 20.729 1.00 0.00 ATOM 1297 OD1 ASN A 166 24.001 64.437 20.476 1.00 0.00 ATOM 1298 O ASN A 166 27.747 62.619 22.632 1.00 0.00 ATOM 1299 C ASN A 166 26.626 62.453 23.115 1.00 0.00 ATOM 1300 N TYR A 167 25.153 60.279 25.763 1.00 0.00 ATOM 1301 CA TYR A 167 25.880 59.869 26.964 1.00 0.00 ATOM 1302 CB TYR A 167 24.969 59.007 27.807 1.00 0.00 ATOM 1303 CG TYR A 167 23.823 59.792 28.433 1.00 0.00 ATOM 1304 CD1 TYR A 167 24.020 61.072 28.974 1.00 0.00 ATOM 1305 CD2 TYR A 167 22.558 59.255 28.505 1.00 0.00 ATOM 1306 CE1 TYR A 167 22.969 61.784 29.553 1.00 0.00 ATOM 1307 CE2 TYR A 167 21.504 59.957 29.079 1.00 0.00 ATOM 1308 CZ TYR A 167 21.717 61.212 29.614 1.00 0.00 ATOM 1309 OH TYR A 167 20.658 61.887 30.176 1.00 0.00 ATOM 1310 O TYR A 167 27.569 59.116 25.446 1.00 0.00 ATOM 1311 C TYR A 167 27.310 59.518 26.576 1.00 0.00 ATOM 1312 N SER A 168 28.238 59.668 27.509 1.00 0.00 ATOM 1313 CA SER A 168 29.610 59.291 27.237 1.00 0.00 ATOM 1314 CB SER A 168 30.530 59.784 28.355 1.00 0.00 ATOM 1315 OG SER A 168 30.277 59.092 29.565 1.00 0.00 ATOM 1316 O SER A 168 28.794 57.101 27.802 1.00 0.00 ATOM 1317 C SER A 168 29.609 57.759 27.147 1.00 0.00 ATOM 1318 N PRO A 169 30.535 57.192 26.375 1.00 0.00 ATOM 1319 CA PRO A 169 30.624 55.738 26.194 1.00 0.00 ATOM 1320 CB PRO A 169 31.894 55.545 25.362 1.00 0.00 ATOM 1321 CG PRO A 169 32.024 56.809 24.580 1.00 0.00 ATOM 1322 CD PRO A 169 31.591 57.915 25.501 1.00 0.00 ATOM 1323 O PRO A 169 30.208 53.840 27.589 1.00 0.00 ATOM 1324 C PRO A 169 30.725 54.948 27.493 1.00 0.00 ATOM 1325 N SER A 170 31.375 55.529 28.497 1.00 0.00 ATOM 1326 CA SER A 170 31.532 54.857 29.784 1.00 0.00 ATOM 1327 CB SER A 170 32.404 55.692 30.724 1.00 0.00 ATOM 1328 OG SER A 170 31.761 56.907 31.070 1.00 0.00 ATOM 1329 O SER A 170 30.153 53.776 31.433 1.00 0.00 ATOM 1330 C SER A 170 30.212 54.601 30.519 1.00 0.00 ATOM 1331 N GLN A 171 29.157 55.299 30.113 1.00 0.00 ATOM 1332 CA GLN A 171 27.835 55.163 30.727 1.00 0.00 ATOM 1333 CB GLN A 171 27.198 56.539 30.931 1.00 0.00 ATOM 1334 CG GLN A 171 27.954 57.435 31.897 1.00 0.00 ATOM 1335 CD GLN A 171 27.317 58.804 32.042 1.00 0.00 ATOM 1336 OE1 GLN A 171 26.248 59.063 31.490 1.00 0.00 ATOM 1337 NE2 GLN A 171 27.973 59.684 32.789 1.00 0.00 ATOM 1338 O GLN A 171 25.704 54.191 30.217 1.00 0.00 ATOM 1339 C GLN A 171 26.879 54.327 29.877 1.00 0.00 ATOM 1340 N ILE A 172 27.372 53.796 28.754 1.00 0.00 ATOM 1341 CA ILE A 172 26.535 52.989 27.873 1.00 0.00 ATOM 1342 CB ILE A 172 26.595 53.505 26.422 1.00 0.00 ATOM 1343 CG1 ILE A 172 26.085 54.945 26.347 1.00 0.00 ATOM 1344 CG2 ILE A 172 25.735 52.640 25.513 1.00 0.00 ATOM 1345 CD1 ILE A 172 26.322 55.607 25.007 1.00 0.00 ATOM 1346 O ILE A 172 28.168 51.249 27.680 1.00 0.00 ATOM 1347 C ILE A 172 26.993 51.534 27.875 1.00 0.00 ATOM 1348 N VAL A 173 26.077 50.623 28.169 1.00 0.00 ATOM 1349 CA VAL A 173 26.408 49.208 28.185 1.00 0.00 ATOM 1350 CB VAL A 173 25.709 48.512 29.402 1.00 0.00 ATOM 1351 CG1 VAL A 173 24.217 48.486 29.176 1.00 0.00 ATOM 1352 CG2 VAL A 173 26.260 47.107 29.608 1.00 0.00 ATOM 1353 O VAL A 173 25.087 48.846 26.252 1.00 0.00 ATOM 1354 C VAL A 173 26.138 48.612 26.813 1.00 0.00 ATOM 1355 N ILE A 174 27.114 47.940 26.278 1.00 0.00 ATOM 1356 CA ILE A 174 26.969 47.380 24.941 1.00 0.00 ATOM 1357 CB ILE A 174 28.171 47.766 24.013 1.00 0.00 ATOM 1358 CG1 ILE A 174 28.302 49.288 23.880 1.00 0.00 ATOM 1359 CG2 ILE A 174 28.033 47.112 22.634 1.00 0.00 ATOM 1360 CD1 ILE A 174 29.611 49.746 23.246 1.00 0.00 ATOM 1361 O ILE A 174 27.621 45.125 25.487 1.00 0.00 ATOM 1362 C ILE A 174 26.764 45.860 24.993 1.00 0.00 ATOM 1363 N ILE A 175 25.612 45.402 24.521 1.00 0.00 ATOM 1364 CA ILE A 175 25.281 43.978 24.549 1.00 0.00 ATOM 1365 CB ILE A 175 23.928 43.727 25.242 1.00 0.00 ATOM 1366 CG1 ILE A 175 23.971 44.218 26.691 1.00 0.00 ATOM 1367 CG2 ILE A 175 23.599 42.242 25.246 1.00 0.00 ATOM 1368 CD1 ILE A 175 22.625 44.206 27.379 1.00 0.00 ATOM 1369 O ILE A 175 24.335 43.835 22.348 1.00 0.00 ATOM 1370 C ILE A 175 25.193 43.426 23.136 1.00 0.00 ATOM 1371 N GLY A 176 26.156 42.405 23.129 1.00 0.00 ATOM 1372 CA GLY A 176 26.240 41.784 21.812 1.00 0.00 ATOM 1373 O GLY A 176 27.230 39.830 22.761 1.00 0.00 ATOM 1374 C GLY A 176 26.523 40.296 21.873 1.00 0.00 ATOM 1375 N ASP A 177 25.974 39.568 20.905 1.00 0.00 ATOM 1376 CA ASP A 177 26.171 38.126 20.797 1.00 0.00 ATOM 1377 CB ASP A 177 25.004 37.487 20.043 1.00 0.00 ATOM 1378 CG ASP A 177 24.864 38.014 18.628 1.00 0.00 ATOM 1379 OD1 ASP A 177 24.733 39.244 18.464 1.00 0.00 ATOM 1380 OD2 ASP A 177 24.887 37.196 17.684 1.00 0.00 ATOM 1381 O ASP A 177 28.118 36.804 20.302 1.00 0.00 ATOM 1382 C ASP A 177 27.473 37.812 20.043 1.00 0.00 ATOM 1383 N THR A 178 27.829 38.768 19.095 1.00 0.00 ATOM 1384 CA THR A 178 29.057 38.580 18.311 1.00 0.00 ATOM 1385 CB THR A 178 28.850 39.125 16.853 1.00 0.00 ATOM 1386 CG2 THR A 178 29.998 38.721 15.928 1.00 0.00 ATOM 1387 OG1 THR A 178 27.625 38.628 16.300 1.00 0.00 ATOM 1388 O THR A 178 30.454 40.181 19.418 1.00 0.00 ATOM 1389 C THR A 178 30.303 39.009 19.074 1.00 0.00 ATOM 1390 N GLU A 179 31.194 38.057 19.326 1.00 0.00 ATOM 1391 CA GLU A 179 32.421 38.330 20.057 1.00 0.00 ATOM 1392 CB GLU A 179 33.240 37.049 20.226 1.00 0.00 ATOM 1393 CG GLU A 179 32.601 36.019 21.145 1.00 0.00 ATOM 1394 CD GLU A 179 31.541 35.193 20.444 1.00 0.00 ATOM 1395 OE1 GLU A 179 31.295 35.434 19.244 1.00 0.00 ATOM 1396 OE2 GLU A 179 30.955 34.303 21.097 1.00 0.00 ATOM 1397 O GLU A 179 33.935 40.213 20.055 1.00 0.00 ATOM 1398 C GLU A 179 33.336 39.374 19.382 1.00 0.00 ATOM 1399 N HIS A 180 33.439 39.303 18.068 1.00 0.00 ATOM 1400 CA HIS A 180 34.161 40.345 17.322 1.00 0.00 ATOM 1401 CB HIS A 180 34.152 40.028 15.813 1.00 0.00 ATOM 1402 CG HIS A 180 34.635 41.159 14.962 1.00 0.00 ATOM 1403 CD2 HIS A 180 33.989 41.931 14.057 1.00 0.00 ATOM 1404 ND1 HIS A 180 35.925 41.638 15.022 1.00 0.00 ATOM 1405 CE1 HIS A 180 36.054 42.658 14.192 1.00 0.00 ATOM 1406 NE2 HIS A 180 34.893 42.857 13.595 1.00 0.00 ATOM 1407 O HIS A 180 34.375 42.688 17.807 1.00 0.00 ATOM 1408 C HIS A 180 33.614 41.740 17.622 1.00 0.00 ATOM 1409 N ASP A 181 32.299 41.861 17.695 1.00 0.00 ATOM 1410 CA ASP A 181 31.650 43.137 17.994 1.00 0.00 ATOM 1411 CB ASP A 181 30.141 42.998 17.785 1.00 0.00 ATOM 1412 CG ASP A 181 29.766 42.858 16.323 1.00 0.00 ATOM 1413 OD1 ASP A 181 30.632 43.112 15.460 1.00 0.00 ATOM 1414 OD2 ASP A 181 28.605 42.493 16.040 1.00 0.00 ATOM 1415 O ASP A 181 32.255 44.744 19.670 1.00 0.00 ATOM 1416 C ASP A 181 31.918 43.586 19.430 1.00 0.00 ATOM 1417 N ILE A 182 31.826 42.651 20.373 1.00 0.00 ATOM 1418 CA ILE A 182 32.090 42.942 21.782 1.00 0.00 ATOM 1419 CB ILE A 182 31.884 41.696 22.665 1.00 0.00 ATOM 1420 CG1 ILE A 182 30.420 41.253 22.629 1.00 0.00 ATOM 1421 CG2 ILE A 182 32.262 41.998 24.107 1.00 0.00 ATOM 1422 CD1 ILE A 182 29.455 42.293 23.157 1.00 0.00 ATOM 1423 O ILE A 182 33.821 44.359 22.611 1.00 0.00 ATOM 1424 C ILE A 182 33.530 43.412 21.878 1.00 0.00 ATOM 1425 N ARG A 183 34.494 42.787 21.111 1.00 0.00 ATOM 1426 CA ARG A 183 35.893 43.229 21.124 1.00 0.00 ATOM 1427 CB ARG A 183 36.509 42.758 19.642 1.00 0.00 ATOM 1428 CG ARG A 183 38.034 42.634 19.489 1.00 0.00 ATOM 1429 CD ARG A 183 38.419 42.530 18.015 1.00 0.00 ATOM 1430 NE ARG A 183 38.038 41.232 17.480 1.00 0.00 ATOM 1431 CZ ARG A 183 38.893 40.239 17.200 1.00 0.00 ATOM 1432 NH1 ARG A 183 40.208 40.377 17.387 1.00 0.00 ATOM 1433 NH2 ARG A 183 38.416 39.070 16.799 1.00 0.00 ATOM 1434 O ARG A 183 36.686 45.484 21.348 1.00 0.00 ATOM 1435 C ARG A 183 36.001 44.699 20.696 1.00 0.00 ATOM 1436 N CYS A 184 35.293 45.070 19.630 1.00 0.00 ATOM 1437 CA CYS A 184 35.324 46.442 19.155 1.00 0.00 ATOM 1438 CB CYS A 184 34.449 46.599 17.910 1.00 0.00 ATOM 1439 SG CYS A 184 34.471 48.255 17.184 1.00 0.00 ATOM 1440 O CYS A 184 35.455 48.420 20.511 1.00 0.00 ATOM 1441 C CYS A 184 34.815 47.415 20.205 1.00 0.00 ATOM 1442 N ALA A 185 33.658 47.101 20.775 1.00 0.00 ATOM 1443 CA ALA A 185 33.048 47.938 21.800 1.00 0.00 ATOM 1444 CB ALA A 185 31.754 47.312 22.296 1.00 0.00 ATOM 1445 O ALA A 185 33.997 49.213 23.590 1.00 0.00 ATOM 1446 C ALA A 185 33.956 48.127 23.007 1.00 0.00 ATOM 1447 N ARG A 186 34.626 47.084 23.393 1.00 0.00 ATOM 1448 CA ARG A 186 35.533 47.128 24.531 1.00 0.00 ATOM 1449 CB ARG A 186 36.090 45.733 24.825 1.00 0.00 ATOM 1450 CG ARG A 186 37.060 45.686 25.995 1.00 0.00 ATOM 1451 CD ARG A 186 36.375 46.080 27.295 1.00 0.00 ATOM 1452 NE ARG A 186 37.280 45.986 28.438 1.00 0.00 ATOM 1453 CZ ARG A 186 37.002 46.453 29.651 1.00 0.00 ATOM 1454 NH1 ARG A 186 37.885 46.322 30.631 1.00 0.00 ATOM 1455 NH2 ARG A 186 35.840 47.050 29.881 1.00 0.00 ATOM 1456 O ARG A 186 37.059 48.857 25.137 1.00 0.00 ATOM 1457 C ARG A 186 36.696 48.060 24.261 1.00 0.00 ATOM 1458 N GLU A 187 37.274 48.002 23.059 1.00 0.00 ATOM 1459 CA GLU A 187 38.401 48.874 22.722 1.00 0.00 ATOM 1460 CB GLU A 187 38.972 48.494 21.355 1.00 0.00 ATOM 1461 CG GLU A 187 39.710 47.165 21.338 1.00 0.00 ATOM 1462 CD GLU A 187 40.182 46.778 19.950 1.00 0.00 ATOM 1463 OE1 GLU A 187 39.879 47.518 18.992 1.00 0.00 ATOM 1464 OE2 GLU A 187 40.855 45.734 19.822 1.00 0.00 ATOM 1465 O GLU A 187 38.693 51.255 22.965 1.00 0.00 ATOM 1466 C GLU A 187 37.948 50.330 22.655 1.00 0.00 ATOM 1467 N LEU A 188 36.668 50.488 22.270 1.00 0.00 ATOM 1468 CA LEU A 188 36.055 51.831 22.220 1.00 0.00 ATOM 1469 CB LEU A 188 34.658 51.750 21.600 1.00 0.00 ATOM 1470 CG LEU A 188 33.896 53.069 21.471 1.00 0.00 ATOM 1471 CD1 LEU A 188 34.643 54.035 20.565 1.00 0.00 ATOM 1472 CD2 LEU A 188 32.514 52.835 20.881 1.00 0.00 ATOM 1473 O LEU A 188 36.283 53.621 23.814 1.00 0.00 ATOM 1474 C LEU A 188 35.923 52.460 23.620 1.00 0.00 ATOM 1475 N ASP A 189 35.106 51.984 24.745 1.00 0.00 ATOM 1476 CA ASP A 189 34.954 52.515 26.092 1.00 0.00 ATOM 1477 CB ASP A 189 34.990 54.045 26.071 1.00 0.00 ATOM 1478 CG ASP A 189 36.376 54.592 25.797 1.00 0.00 ATOM 1479 OD1 ASP A 189 37.347 53.809 25.860 1.00 0.00 ATOM 1480 OD2 ASP A 189 36.493 55.803 25.520 1.00 0.00 ATOM 1481 O ASP A 189 33.462 52.473 27.970 1.00 0.00 ATOM 1482 C ASP A 189 33.659 52.139 26.800 1.00 0.00 ATOM 1483 N ALA A 190 32.786 51.434 26.091 1.00 0.00 ATOM 1484 CA ALA A 190 31.512 50.998 26.647 1.00 0.00 ATOM 1485 CB ALA A 190 30.552 50.611 25.533 1.00 0.00 ATOM 1486 O ALA A 190 32.386 48.814 26.933 1.00 0.00 ATOM 1487 C ALA A 190 31.732 49.725 27.434 1.00 0.00 ATOM 1488 N ARG A 191 31.240 49.566 28.766 1.00 0.00 ATOM 1489 CA ARG A 191 31.204 48.325 29.537 1.00 0.00 ATOM 1490 CB ARG A 191 30.387 48.606 30.800 1.00 0.00 ATOM 1491 CG ARG A 191 30.365 47.456 31.794 1.00 0.00 ATOM 1492 CD ARG A 191 29.568 47.814 33.037 1.00 0.00 ATOM 1493 NE ARG A 191 30.170 48.923 33.773 1.00 0.00 ATOM 1494 CZ ARG A 191 31.180 48.791 34.627 1.00 0.00 ATOM 1495 NH1 ARG A 191 31.664 49.857 35.250 1.00 0.00 ATOM 1496 NH2 ARG A 191 31.702 47.594 34.856 1.00 0.00 ATOM 1497 O ARG A 191 29.399 47.528 28.170 1.00 0.00 ATOM 1498 C ARG A 191 30.511 47.286 28.628 1.00 0.00 ATOM 1499 N SER A 192 31.166 46.161 28.361 1.00 0.00 ATOM 1500 CA SER A 192 30.591 45.200 27.418 1.00 0.00 ATOM 1501 CB SER A 192 31.625 44.802 26.361 1.00 0.00 ATOM 1502 OG SER A 192 31.956 45.903 25.532 1.00 0.00 ATOM 1503 O SER A 192 30.731 43.190 28.739 1.00 0.00 ATOM 1504 C SER A 192 30.076 43.864 27.943 1.00 0.00 ATOM 1505 N ILE A 193 28.908 43.481 27.441 1.00 0.00 ATOM 1506 CA ILE A 193 28.264 42.225 27.806 1.00 0.00 ATOM 1507 CB ILE A 193 26.850 42.459 28.368 1.00 0.00 ATOM 1508 CG1 ILE A 193 26.911 43.332 29.622 1.00 0.00 ATOM 1509 CG2 ILE A 193 26.198 41.134 28.734 1.00 0.00 ATOM 1510 CD1 ILE A 193 25.555 43.776 30.125 1.00 0.00 ATOM 1511 O ILE A 193 27.680 41.762 25.526 1.00 0.00 ATOM 1512 C ILE A 193 28.225 41.357 26.550 1.00 0.00 ATOM 1513 N ALA A 194 28.817 40.156 26.609 1.00 0.00 ATOM 1514 CA ALA A 194 28.796 39.251 25.468 1.00 0.00 ATOM 1515 CB ALA A 194 30.158 38.595 25.306 1.00 0.00 ATOM 1516 O ALA A 194 27.834 37.432 26.700 1.00 0.00 ATOM 1517 C ALA A 194 27.751 38.157 25.709 1.00 0.00 ATOM 1518 N VAL A 195 26.780 38.049 24.807 1.00 0.00 ATOM 1519 CA VAL A 195 25.730 37.032 24.899 1.00 0.00 ATOM 1520 CB VAL A 195 24.417 37.515 24.254 1.00 0.00 ATOM 1521 CG1 VAL A 195 23.358 36.424 24.321 1.00 0.00 ATOM 1522 CG2 VAL A 195 23.888 38.743 24.981 1.00 0.00 ATOM 1523 O VAL A 195 26.508 35.849 22.965 1.00 0.00 ATOM 1524 C VAL A 195 26.272 35.805 24.170 1.00 0.00 ATOM 1525 N ALA A 196 26.476 34.717 24.903 1.00 0.00 ATOM 1526 CA ALA A 196 27.010 33.499 24.312 1.00 0.00 ATOM 1527 CB ALA A 196 28.378 33.160 24.884 1.00 0.00 ATOM 1528 O ALA A 196 26.264 31.563 25.562 1.00 0.00 ATOM 1529 C ALA A 196 26.065 32.324 24.606 1.00 0.00 ATOM 1530 N THR A 197 25.062 32.163 23.753 1.00 0.00 ATOM 1531 CA THR A 197 24.065 31.115 23.916 1.00 0.00 ATOM 1532 CB THR A 197 22.835 31.364 23.023 1.00 0.00 ATOM 1533 CG2 THR A 197 21.826 30.236 23.180 1.00 0.00 ATOM 1534 OG1 THR A 197 22.212 32.599 23.398 1.00 0.00 ATOM 1535 O THR A 197 24.150 28.747 24.243 1.00 0.00 ATOM 1536 C THR A 197 24.532 29.710 23.569 1.00 0.00 ATOM 1537 N GLY A 198 25.383 29.589 22.552 1.00 0.00 ATOM 1538 CA GLY A 198 25.812 28.271 22.090 1.00 0.00 ATOM 1539 O GLY A 198 27.733 26.960 21.537 1.00 0.00 ATOM 1540 C GLY A 198 27.233 27.767 22.318 1.00 0.00 ATOM 1541 N ASN A 199 27.873 28.219 23.389 1.00 0.00 ATOM 1542 CA ASN A 199 29.211 27.747 23.705 1.00 0.00 ATOM 1543 CB ASN A 199 29.262 26.218 23.667 1.00 0.00 ATOM 1544 CG ASN A 199 28.498 25.582 24.811 1.00 0.00 ATOM 1545 ND2 ASN A 199 28.042 24.352 24.605 1.00 0.00 ATOM 1546 OD1 ASN A 199 28.320 26.191 25.866 1.00 0.00 ATOM 1547 O ASN A 199 31.333 27.407 22.678 1.00 0.00 ATOM 1548 C ASN A 199 30.373 28.166 22.829 1.00 0.00 ATOM 1549 N PHE A 200 30.310 29.360 22.251 1.00 0.00 ATOM 1550 CA PHE A 200 31.407 29.843 21.427 1.00 0.00 ATOM 1551 CB PHE A 200 30.941 30.995 20.534 1.00 0.00 ATOM 1552 CG PHE A 200 30.060 30.563 19.397 1.00 0.00 ATOM 1553 CD1 PHE A 200 28.681 30.617 19.513 1.00 0.00 ATOM 1554 CD2 PHE A 200 30.608 30.104 18.214 1.00 0.00 ATOM 1555 CE1 PHE A 200 27.870 30.219 18.466 1.00 0.00 ATOM 1556 CE2 PHE A 200 29.797 29.706 17.167 1.00 0.00 ATOM 1557 CZ PHE A 200 28.433 29.763 17.290 1.00 0.00 ATOM 1558 O PHE A 200 32.341 30.453 23.545 1.00 0.00 ATOM 1559 C PHE A 200 32.532 30.322 22.334 1.00 0.00 ATOM 1560 N THR A 201 33.716 30.524 21.765 1.00 0.00 ATOM 1561 CA THR A 201 34.853 31.046 22.520 1.00 0.00 ATOM 1562 CB THR A 201 36.124 30.207 22.293 1.00 0.00 ATOM 1563 CG2 THR A 201 35.889 28.762 22.706 1.00 0.00 ATOM 1564 OG1 THR A 201 36.479 30.240 20.905 1.00 0.00 ATOM 1565 O THR A 201 34.674 32.822 20.895 1.00 0.00 ATOM 1566 C THR A 201 35.056 32.480 22.022 1.00 0.00 ATOM 1567 N MET A 202 35.593 33.330 22.886 1.00 0.00 ATOM 1568 CA MET A 202 35.798 34.732 22.542 1.00 0.00 ATOM 1569 CB MET A 202 36.138 35.549 23.790 1.00 0.00 ATOM 1570 CG MET A 202 35.004 35.642 24.797 1.00 0.00 ATOM 1571 SD MET A 202 33.543 36.459 24.129 1.00 0.00 ATOM 1572 CE MET A 202 34.134 38.143 23.980 1.00 0.00 ATOM 1573 O MET A 202 37.871 34.100 21.498 1.00 0.00 ATOM 1574 C MET A 202 36.948 34.919 21.553 1.00 0.00 ATOM 1575 N GLU A 203 36.854 35.971 20.743 1.00 0.00 ATOM 1576 CA GLU A 203 37.885 36.281 19.763 1.00 0.00 ATOM 1577 CB GLU A 203 37.493 37.512 18.944 1.00 0.00 ATOM 1578 CG GLU A 203 36.333 37.277 17.988 1.00 0.00 ATOM 1579 CD GLU A 203 36.661 36.256 16.916 1.00 0.00 ATOM 1580 OE1 GLU A 203 37.655 36.457 16.187 1.00 0.00 ATOM 1581 OE2 GLU A 203 35.921 35.256 16.803 1.00 0.00 ATOM 1582 O GLU A 203 39.268 37.047 21.578 1.00 0.00 ATOM 1583 C GLU A 203 39.215 36.565 20.442 1.00 0.00 ATOM 1584 N GLU A 204 40.290 36.288 19.732 1.00 0.00 ATOM 1585 CA GLU A 204 41.647 36.502 20.282 1.00 0.00 ATOM 1586 CB GLU A 204 42.697 35.768 19.454 1.00 0.00 ATOM 1587 CG GLU A 204 42.551 34.266 19.460 1.00 0.00 ATOM 1588 CD GLU A 204 42.874 33.594 20.756 1.00 0.00 ATOM 1589 OE1 GLU A 204 43.558 34.237 21.579 1.00 0.00 ATOM 1590 OE2 GLU A 204 42.451 32.412 20.918 1.00 0.00 ATOM 1591 O GLU A 204 42.675 38.416 21.334 1.00 0.00 ATOM 1592 C GLU A 204 41.970 37.980 20.426 1.00 0.00 ATOM 1593 N LEU A 205 41.376 38.816 19.567 1.00 0.00 ATOM 1594 CA LEU A 205 41.579 40.245 19.809 1.00 0.00 ATOM 1595 CB LEU A 205 41.230 41.000 18.546 1.00 0.00 ATOM 1596 CG LEU A 205 41.521 42.484 18.520 1.00 0.00 ATOM 1597 CD1 LEU A 205 42.861 42.828 19.168 1.00 0.00 ATOM 1598 CD2 LEU A 205 41.500 42.954 17.063 1.00 0.00 ATOM 1599 O LEU A 205 41.184 41.534 21.791 1.00 0.00 ATOM 1600 C LEU A 205 40.717 40.773 20.947 1.00 0.00 ATOM 1601 N ALA A 206 39.443 40.360 20.981 1.00 0.00 ATOM 1602 CA ALA A 206 38.506 40.840 21.995 1.00 0.00 ATOM 1603 CB ALA A 206 37.126 40.285 21.626 1.00 0.00 ATOM 1604 O ALA A 206 38.654 41.098 24.396 1.00 0.00 ATOM 1605 C ALA A 206 38.935 40.420 23.390 1.00 0.00 ATOM 1606 N ARG A 207 39.589 39.251 23.536 1.00 0.00 ATOM 1607 CA ARG A 207 39.995 38.796 24.872 1.00 0.00 ATOM 1608 CB ARG A 207 40.354 37.232 24.753 1.00 0.00 ATOM 1609 CG ARG A 207 40.479 36.557 26.112 1.00 0.00 ATOM 1610 CD ARG A 207 41.075 35.160 26.031 1.00 0.00 ATOM 1611 NE ARG A 207 40.222 34.230 25.303 1.00 0.00 ATOM 1612 CZ ARG A 207 40.405 33.810 24.059 1.00 0.00 ATOM 1613 NH1 ARG A 207 41.453 34.217 23.362 1.00 0.00 ATOM 1614 NH2 ARG A 207 39.533 32.968 23.510 1.00 0.00 ATOM 1615 O ARG A 207 41.089 39.751 26.742 1.00 0.00 ATOM 1616 C ARG A 207 40.960 39.773 25.509 1.00 0.00 ATOM 1617 N HIS A 208 41.614 40.638 24.738 1.00 0.00 ATOM 1618 CA HIS A 208 42.551 41.580 25.335 1.00 0.00 ATOM 1619 CB HIS A 208 43.215 42.430 24.244 1.00 0.00 ATOM 1620 CG HIS A 208 44.289 43.341 24.755 1.00 0.00 ATOM 1621 CD2 HIS A 208 45.621 43.146 24.908 1.00 0.00 ATOM 1622 ND1 HIS A 208 44.034 44.615 25.215 1.00 0.00 ATOM 1623 CE1 HIS A 208 45.162 45.166 25.629 1.00 0.00 ATOM 1624 NE2 HIS A 208 46.138 44.295 25.454 1.00 0.00 ATOM 1625 O HIS A 208 42.321 42.642 27.462 1.00 0.00 ATOM 1626 C HIS A 208 41.835 42.480 26.342 1.00 0.00 ATOM 1627 N LYS A 209 38.617 41.397 26.343 1.00 0.00 ATOM 1628 CA LYS A 209 37.760 40.447 27.040 1.00 0.00 ATOM 1629 CB LYS A 209 38.498 39.832 28.231 1.00 0.00 ATOM 1630 CG LYS A 209 37.706 38.767 28.972 1.00 0.00 ATOM 1631 CD LYS A 209 38.521 38.155 30.098 1.00 0.00 ATOM 1632 CE LYS A 209 37.739 37.072 30.821 1.00 0.00 ATOM 1633 NZ LYS A 209 38.516 36.481 31.945 1.00 0.00 ATOM 1634 O LYS A 209 36.742 42.428 27.903 1.00 0.00 ATOM 1635 C LYS A 209 36.571 41.284 27.486 1.00 0.00 ATOM 1636 N PRO A 210 35.346 40.755 27.359 1.00 0.00 ATOM 1637 CA PRO A 210 34.161 41.517 27.779 1.00 0.00 ATOM 1638 CB PRO A 210 32.985 40.708 27.225 1.00 0.00 ATOM 1639 CG PRO A 210 33.490 39.305 27.171 1.00 0.00 ATOM 1640 CD PRO A 210 34.944 39.398 26.804 1.00 0.00 ATOM 1641 O PRO A 210 34.670 40.835 30.021 1.00 0.00 ATOM 1642 C PRO A 210 34.082 41.638 29.293 1.00 0.00 ATOM 1643 N GLY A 211 33.351 42.638 29.772 1.00 0.00 ATOM 1644 CA GLY A 211 33.190 42.837 31.206 1.00 0.00 ATOM 1645 O GLY A 211 32.585 41.260 32.913 1.00 0.00 ATOM 1646 C GLY A 211 32.335 41.726 31.799 1.00 0.00 ATOM 1647 N THR A 212 31.334 41.302 31.031 1.00 0.00 ATOM 1648 CA THR A 212 30.432 40.231 31.429 1.00 0.00 ATOM 1649 CB THR A 212 29.080 40.792 31.907 1.00 0.00 ATOM 1650 CG2 THR A 212 29.280 41.729 33.088 1.00 0.00 ATOM 1651 OG1 THR A 212 28.457 41.518 30.840 1.00 0.00 ATOM 1652 O THR A 212 30.139 39.760 29.095 1.00 0.00 ATOM 1653 C THR A 212 30.183 39.309 30.238 1.00 0.00 ATOM 1654 N LEU A 213 30.124 38.009 30.502 1.00 0.00 ATOM 1655 CA LEU A 213 29.816 37.014 29.486 1.00 0.00 ATOM 1656 CB LEU A 213 31.003 36.070 29.284 1.00 0.00 ATOM 1657 CG LEU A 213 30.798 34.928 28.285 1.00 0.00 ATOM 1658 CD1 LEU A 213 30.582 35.474 26.882 1.00 0.00 ATOM 1659 CD2 LEU A 213 32.013 34.014 28.257 1.00 0.00 ATOM 1660 O LEU A 213 28.674 35.729 31.150 1.00 0.00 ATOM 1661 C LEU A 213 28.603 36.293 30.058 1.00 0.00 ATOM 1662 N PHE A 214 27.472 36.407 29.384 1.00 0.00 ATOM 1663 CA PHE A 214 26.245 35.786 29.865 1.00 0.00 ATOM 1664 CB PHE A 214 25.230 36.858 30.278 1.00 0.00 ATOM 1665 CG PHE A 214 25.715 37.742 31.399 1.00 0.00 ATOM 1666 CD1 PHE A 214 25.807 37.191 32.672 1.00 0.00 ATOM 1667 CD2 PHE A 214 26.083 39.048 31.186 1.00 0.00 ATOM 1668 CE1 PHE A 214 26.250 37.965 33.728 1.00 0.00 ATOM 1669 CE2 PHE A 214 26.536 39.832 32.237 1.00 0.00 ATOM 1670 CZ PHE A 214 26.602 39.277 33.508 1.00 0.00 ATOM 1671 O PHE A 214 25.749 35.210 27.593 1.00 0.00 ATOM 1672 C PHE A 214 25.634 34.883 28.779 1.00 0.00 ATOM 1673 N LYS A 215 24.842 33.917 29.192 1.00 0.00 ATOM 1674 CA LYS A 215 24.170 32.992 28.302 1.00 0.00 ATOM 1675 CB LYS A 215 23.835 31.691 29.033 1.00 0.00 ATOM 1676 CG LYS A 215 25.051 30.886 29.457 1.00 0.00 ATOM 1677 CD LYS A 215 24.647 29.614 30.183 1.00 0.00 ATOM 1678 CE LYS A 215 25.865 28.805 30.600 1.00 0.00 ATOM 1679 NZ LYS A 215 25.483 27.573 31.346 1.00 0.00 ATOM 1680 O LYS A 215 22.540 33.170 26.545 1.00 0.00 ATOM 1681 C LYS A 215 22.933 33.578 27.649 1.00 0.00 ATOM 1682 N ASN A 216 22.065 34.372 28.421 1.00 0.00 ATOM 1683 CA ASN A 216 20.793 34.890 27.915 1.00 0.00 ATOM 1684 CB ASN A 216 19.627 33.957 28.248 1.00 0.00 ATOM 1685 CG ASN A 216 19.408 33.808 29.740 1.00 0.00 ATOM 1686 ND2 ASN A 216 18.599 32.826 30.123 1.00 0.00 ATOM 1687 OD1 ASN A 216 19.958 34.567 30.538 1.00 0.00 ATOM 1688 O ASN A 216 21.249 36.690 29.429 1.00 0.00 ATOM 1689 C ASN A 216 20.518 36.253 28.540 1.00 0.00 ATOM 1690 N PHE A 217 19.434 36.894 28.106 1.00 0.00 ATOM 1691 CA PHE A 217 19.052 38.196 28.647 1.00 0.00 ATOM 1692 CB PHE A 217 17.917 38.826 27.850 1.00 0.00 ATOM 1693 CG PHE A 217 18.421 39.542 26.597 1.00 0.00 ATOM 1694 CD1 PHE A 217 18.533 38.865 25.396 1.00 0.00 ATOM 1695 CD2 PHE A 217 18.784 40.877 26.646 1.00 0.00 ATOM 1696 CE1 PHE A 217 19.023 39.488 24.269 1.00 0.00 ATOM 1697 CE2 PHE A 217 19.251 41.514 25.506 1.00 0.00 ATOM 1698 CZ PHE A 217 19.353 40.838 24.314 1.00 0.00 ATOM 1699 O PHE A 217 18.568 39.124 30.799 1.00 0.00 ATOM 1700 C PHE A 217 18.602 38.114 30.102 1.00 0.00 ATOM 1701 N ALA A 218 18.294 36.909 30.570 1.00 0.00 ATOM 1702 CA ALA A 218 17.857 36.731 31.951 1.00 0.00 ATOM 1703 CB ALA A 218 17.553 35.267 32.227 1.00 0.00 ATOM 1704 O ALA A 218 18.691 37.864 33.890 1.00 0.00 ATOM 1705 C ALA A 218 18.958 37.193 32.894 1.00 0.00 ATOM 1706 N GLU A 219 20.201 36.852 32.567 1.00 0.00 ATOM 1707 CA GLU A 219 21.324 37.235 33.410 1.00 0.00 ATOM 1708 CB GLU A 219 22.604 36.540 32.946 1.00 0.00 ATOM 1709 CG GLU A 219 22.595 35.031 33.134 1.00 0.00 ATOM 1710 CD GLU A 219 22.423 34.626 34.585 1.00 0.00 ATOM 1711 OE1 GLU A 219 23.229 35.075 35.427 1.00 0.00 ATOM 1712 OE2 GLU A 219 21.482 33.860 34.880 1.00 0.00 ATOM 1713 O GLU A 219 22.153 39.298 34.314 1.00 0.00 ATOM 1714 C GLU A 219 21.578 38.743 33.377 1.00 0.00 ATOM 1715 N THR A 220 21.140 39.400 32.307 1.00 0.00 ATOM 1716 CA THR A 220 21.292 40.846 32.175 1.00 0.00 ATOM 1717 CB THR A 220 20.922 41.325 30.759 1.00 0.00 ATOM 1718 CG2 THR A 220 21.047 42.839 30.660 1.00 0.00 ATOM 1719 OG1 THR A 220 21.803 40.724 29.803 1.00 0.00 ATOM 1720 O THR A 220 20.789 42.425 33.919 1.00 0.00 ATOM 1721 C THR A 220 20.370 41.527 33.187 1.00 0.00 ATOM 1722 N ASP A 221 19.120 41.084 33.226 1.00 0.00 ATOM 1723 CA ASP A 221 18.126 41.617 34.149 1.00 0.00 ATOM 1724 CB ASP A 221 16.824 40.870 34.092 1.00 0.00 ATOM 1725 CG ASP A 221 15.766 41.482 34.986 1.00 0.00 ATOM 1726 OD1 ASP A 221 15.416 42.661 34.762 1.00 0.00 ATOM 1727 OD2 ASP A 221 15.290 40.792 35.915 1.00 0.00 ATOM 1728 O ASP A 221 18.582 42.446 36.381 1.00 0.00 ATOM 1729 C ASP A 221 18.586 41.464 35.598 1.00 0.00 ATOM 1730 N GLU A 222 19.052 40.252 35.953 1.00 0.00 ATOM 1731 CA GLU A 222 19.541 40.007 37.303 1.00 0.00 ATOM 1732 CB GLU A 222 19.881 38.527 37.489 1.00 0.00 ATOM 1733 CG GLU A 222 18.668 37.611 37.516 1.00 0.00 ATOM 1734 CD GLU A 222 19.048 36.145 37.578 1.00 0.00 ATOM 1735 OE1 GLU A 222 20.259 35.842 37.528 1.00 0.00 ATOM 1736 OE2 GLU A 222 18.134 35.298 37.676 1.00 0.00 ATOM 1737 O GLU A 222 20.997 41.308 38.697 1.00 0.00 ATOM 1738 C GLU A 222 20.801 40.823 37.577 1.00 0.00 ATOM 1739 N VAL A 223 21.647 40.989 36.565 1.00 0.00 ATOM 1740 CA VAL A 223 22.866 41.762 36.760 1.00 0.00 ATOM 1741 CB VAL A 223 23.795 41.644 35.526 1.00 0.00 ATOM 1742 CG1 VAL A 223 24.899 42.697 35.598 1.00 0.00 ATOM 1743 CG2 VAL A 223 24.395 40.248 35.437 1.00 0.00 ATOM 1744 O VAL A 223 23.226 43.807 37.921 1.00 0.00 ATOM 1745 C VAL A 223 22.658 43.253 36.990 1.00 0.00 ATOM 1746 N LEU A 224 21.876 43.902 36.145 1.00 0.00 ATOM 1747 CA LEU A 224 21.613 45.333 36.308 1.00 0.00 ATOM 1748 CB LEU A 224 20.675 45.849 35.216 1.00 0.00 ATOM 1749 CG LEU A 224 21.251 45.910 33.800 1.00 0.00 ATOM 1750 CD1 LEU A 224 20.165 46.254 32.792 1.00 0.00 ATOM 1751 CD2 LEU A 224 22.337 46.972 33.708 1.00 0.00 ATOM 1752 O LEU A 224 21.386 46.499 38.399 1.00 0.00 ATOM 1753 C LEU A 224 20.976 45.594 37.670 1.00 0.00 ATOM 1754 N ALA A 225 19.986 44.784 38.019 1.00 0.00 ATOM 1755 CA ALA A 225 19.293 44.934 39.294 1.00 0.00 ATOM 1756 CB ALA A 225 18.259 43.833 39.469 1.00 0.00 ATOM 1757 O ALA A 225 20.037 45.540 41.496 1.00 0.00 ATOM 1758 C ALA A 225 20.251 44.874 40.481 1.00 0.00 ATOM 1759 N SER A 226 21.307 44.075 40.355 1.00 0.00 ATOM 1760 CA SER A 226 22.271 43.936 41.441 1.00 0.00 ATOM 1761 CB SER A 226 23.070 42.641 41.282 1.00 0.00 ATOM 1762 OG SER A 226 23.905 42.694 40.138 1.00 0.00 ATOM 1763 O SER A 226 23.972 45.221 42.526 1.00 0.00 ATOM 1764 C SER A 226 23.270 45.088 41.526 1.00 0.00 ATOM 1765 N ILE A 227 23.380 45.995 40.470 1.00 0.00 ATOM 1766 CA ILE A 227 24.337 47.101 40.461 1.00 0.00 ATOM 1767 CB ILE A 227 25.382 46.946 39.340 1.00 0.00 ATOM 1768 CG1 ILE A 227 26.206 45.675 39.551 1.00 0.00 ATOM 1769 CG2 ILE A 227 26.328 48.138 39.325 1.00 0.00 ATOM 1770 CD1 ILE A 227 27.056 45.294 38.359 1.00 0.00 ATOM 1771 O ILE A 227 24.015 49.392 41.115 1.00 0.00 ATOM 1772 C ILE A 227 23.655 48.464 40.386 1.00 0.00 ATOM 1773 N LEU A 228 22.700 48.615 39.461 1.00 0.00 ATOM 1774 CA LEU A 228 21.993 49.879 39.290 1.00 0.00 ATOM 1775 CB LEU A 228 21.765 50.062 37.788 1.00 0.00 ATOM 1776 CG LEU A 228 23.020 50.156 36.918 1.00 0.00 ATOM 1777 CD1 LEU A 228 22.653 50.153 35.441 1.00 0.00 ATOM 1778 CD2 LEU A 228 23.784 51.438 37.215 1.00 0.00 ATOM 1779 O LEU A 228 19.681 50.436 39.424 1.00 0.00 ATOM 1780 C LEU A 228 20.647 49.938 39.995 1.00 0.00 ATOM 1781 N THR A 229 20.581 49.435 41.219 1.00 0.00 ATOM 1782 CA THR A 229 19.342 49.426 41.963 1.00 0.00 ATOM 1783 CB THR A 229 19.602 48.973 43.421 1.00 0.00 ATOM 1784 CG2 THR A 229 18.290 48.917 44.216 1.00 0.00 ATOM 1785 OG1 THR A 229 20.224 47.690 43.409 1.00 0.00 ATOM 1786 O THR A 229 17.594 51.072 41.824 1.00 0.00 ATOM 1787 C THR A 229 18.769 50.826 42.047 1.00 0.00 ATOM 1788 N PRO A 230 19.615 51.772 42.395 1.00 0.00 ATOM 1789 CA PRO A 230 19.204 53.174 42.520 1.00 0.00 ATOM 1790 CB PRO A 230 20.499 53.910 42.868 1.00 0.00 ATOM 1791 CG PRO A 230 21.348 52.880 43.532 1.00 0.00 ATOM 1792 CD PRO A 230 21.070 51.586 42.818 1.00 0.00 ATOM 1793 O PRO A 230 17.675 54.587 41.326 1.00 0.00 ATOM 1794 C PRO A 230 18.572 53.749 41.258 1.00 0.00 ATOM 1795 N LYS A 231 19.059 53.321 40.093 1.00 0.00 ATOM 1796 CA LYS A 231 18.522 53.818 38.838 1.00 0.00 ATOM 1797 CB LYS A 231 19.332 53.269 37.661 1.00 0.00 ATOM 1798 CG LYS A 231 20.759 53.786 37.595 1.00 0.00 ATOM 1799 CD LYS A 231 20.793 55.281 37.315 1.00 0.00 ATOM 1800 CE LYS A 231 22.222 55.791 37.213 1.00 0.00 ATOM 1801 NZ LYS A 231 22.270 57.248 36.912 1.00 0.00 ATOM 1802 O LYS A 231 16.308 54.089 37.956 1.00 0.00 ATOM 1803 C LYS A 231 17.065 53.408 38.646 1.00 0.00 ATOM 1804 N HIS A 232 16.747 52.219 39.311 1.00 0.00 ATOM 1805 CA HIS A 232 15.386 51.704 39.236 1.00 0.00 ATOM 1806 CB HIS A 232 15.234 50.461 40.117 1.00 0.00 ATOM 1807 CG HIS A 232 15.973 49.264 39.605 1.00 0.00 ATOM 1808 CD2 HIS A 232 17.071 48.438 40.086 1.00 0.00 ATOM 1809 ND1 HIS A 232 15.677 48.665 38.400 1.00 0.00 ATOM 1810 CE1 HIS A 232 16.504 47.621 38.215 1.00 0.00 ATOM 1811 NE2 HIS A 232 17.344 47.479 39.222 1.00 0.00 ATOM 1812 O HIS A 232 13.157 52.589 39.294 1.00 0.00 ATOM 1813 C HIS A 232 14.318 52.698 39.696 1.00 0.00 ATOM 1814 N SER A 233 14.695 53.659 40.533 1.00 0.00 ATOM 1815 CA SER A 233 13.729 54.648 40.999 1.00 0.00 ATOM 1816 CB SER A 233 14.369 55.575 42.035 1.00 0.00 ATOM 1817 OG SER A 233 14.764 54.855 43.189 1.00 0.00 ATOM 1818 O SER A 233 12.178 56.131 39.926 1.00 0.00 ATOM 1819 C SER A 233 13.233 55.495 39.833 1.00 0.00 ENDMDL EXPDTA 2hcfA MODEL 2 REMARK 44 REMARK 44 model 2 is called 2hcfA ATOM 1 N SER 2 24.809 57.936 37.335 1.00 0.00 ATOM 2 CA SER 2 23.458 57.332 37.547 1.00 0.00 ATOM 3 CB SER 2 22.610 58.220 38.465 1.00 0.00 ATOM 4 OG SER 2 21.280 57.720 38.543 1.00 0.00 ATOM 5 O SER 2 22.277 55.871 36.037 1.00 0.00 ATOM 6 C SER 2 22.694 57.013 36.235 1.00 0.00 ATOM 7 N ARG 3 22.504 57.987 35.341 1.00 0.00 ATOM 8 CA ARG 3 21.782 57.711 34.095 1.00 0.00 ATOM 9 CB ARG 3 21.473 58.995 33.320 1.00 0.00 ATOM 10 CG ARG 3 20.313 59.816 33.899 1.00 0.00 ATOM 11 CD ARG 3 19.816 60.890 32.923 1.00 0.00 ATOM 12 NE ARG 3 20.508 62.175 33.066 1.00 0.00 ATOM 13 CZ ARG 3 20.347 63.223 32.247 1.00 0.00 ATOM 14 NH1 ARG 3 19.529 63.155 31.204 1.00 0.00 ATOM 15 NH2 ARG 3 21.017 64.351 32.461 1.00 0.00 ATOM 16 O ARG 3 23.770 57.091 32.947 1.00 0.00 ATOM 17 C ARG 3 22.613 56.773 33.224 1.00 0.00 ATOM 18 N THR 4 22.024 55.633 32.815 1.00 0.00 ATOM 19 CA THR 4 22.713 54.600 32.002 1.00 0.00 ATOM 20 CB THR 4 22.634 53.248 32.687 1.00 0.00 ATOM 21 CG2 THR 4 23.242 52.135 31.831 1.00 0.00 ATOM 22 OG1 THR 4 23.376 53.323 33.908 1.00 0.00 ATOM 23 O THR 4 20.946 54.476 30.370 1.00 0.00 ATOM 24 C THR 4 22.158 54.465 30.581 1.00 0.00 ATOM 25 N LEU 5 23.085 54.346 29.632 1.00 0.00 ATOM 26 CA LEU 5 22.796 54.183 28.214 1.00 0.00 ATOM 27 CB LEU 5 23.706 55.090 27.360 1.00 0.00 ATOM 28 CG LEU 5 23.617 54.894 25.837 1.00 0.00 ATOM 29 CD1 LEU 5 22.212 55.120 25.366 1.00 0.00 ATOM 30 CD2 LEU 5 24.542 55.765 25.033 1.00 0.00 ATOM 31 O LEU 5 24.148 52.197 28.036 1.00 0.00 ATOM 32 C LEU 5 23.034 52.711 27.871 1.00 0.00 ATOM 33 N VAL 6 21.982 52.043 27.414 1.00 0.00 ATOM 34 CA VAL 6 22.063 50.643 27.094 1.00 0.00 ATOM 35 CB VAL 6 21.110 49.820 27.994 1.00 0.00 ATOM 36 CG1 VAL 6 21.386 48.340 27.813 1.00 0.00 ATOM 37 CG2 VAL 6 21.283 50.214 29.455 1.00 0.00 ATOM 38 O VAL 6 20.586 50.604 25.172 1.00 0.00 ATOM 39 C VAL 6 21.721 50.391 25.610 1.00 0.00 ATOM 40 N LEU 7 22.697 49.860 24.890 1.00 0.00 ATOM 41 CA LEU 7 22.613 49.676 23.445 1.00 0.00 ATOM 42 CB LEU 7 23.764 50.428 22.764 1.00 0.00 ATOM 43 CG LEU 7 23.840 51.940 22.998 1.00 0.00 ATOM 44 CD1 LEU 7 25.136 52.475 22.428 1.00 0.00 ATOM 45 CD2 LEU 7 22.652 52.668 22.400 1.00 0.00 ATOM 46 O LEU 7 23.547 47.455 23.500 1.00 0.00 ATOM 47 C LEU 7 22.640 48.182 23.110 1.00 0.00 ATOM 48 N PHE 8 21.633 47.743 22.373 1.00 0.00 ATOM 49 CA PHE 8 21.404 46.341 22.028 1.00 0.00 ATOM 50 CB PHE 8 19.957 45.950 22.336 1.00 0.00 ATOM 51 CG PHE 8 19.689 45.578 23.784 1.00 0.00 ATOM 52 CD1 PHE 8 19.854 44.263 24.213 1.00 0.00 ATOM 53 CD2 PHE 8 19.174 46.512 24.689 1.00 0.00 ATOM 54 CE1 PHE 8 19.577 43.906 25.525 1.00 0.00 ATOM 55 CE2 PHE 8 18.903 46.164 25.989 1.00 0.00 ATOM 56 CZ PHE 8 19.106 44.851 26.407 1.00 0.00 ATOM 57 O PHE 8 20.994 46.872 19.690 1.00 0.00 ATOM 58 C PHE 8 21.568 46.118 20.534 1.00 0.00 ATOM 59 N ASP 9 22.345 45.087 20.220 1.00 0.00 ATOM 60 CA ASP 9 22.317 44.388 18.927 1.00 0.00 ATOM 61 CB ASP 9 23.473 43.401 18.936 1.00 0.00 ATOM 62 CG ASP 9 23.576 42.609 17.648 1.00 0.00 ATOM 63 OD1 ASP 9 23.784 43.270 16.611 1.00 0.00 ATOM 64 OD2 ASP 9 23.483 41.350 17.701 1.00 0.00 ATOM 65 O ASP 9 20.342 43.348 19.706 1.00 0.00 ATOM 66 C ASP 9 20.993 43.642 18.735 1.00 0.00 ATOM 67 N ILE 10 20.583 43.374 17.490 1.00 0.00 ATOM 68 CA ILE 10 19.349 42.641 17.190 1.00 0.00 ATOM 69 CB ILE 10 18.627 43.273 15.986 1.00 0.00 ATOM 70 CG1 ILE 10 18.361 44.769 16.270 1.00 0.00 ATOM 71 CG2 ILE 10 17.338 42.518 15.664 1.00 0.00 ATOM 72 CD1 ILE 10 17.591 45.482 15.191 1.00 0.00 ATOM 73 O ILE 10 19.279 40.300 17.867 1.00 0.00 ATOM 74 C ILE 10 19.606 41.122 16.982 1.00 0.00 ATOM 75 N ASP 11 20.230 40.747 15.858 1.00 0.00 ATOM 76 CA ASP 11 20.304 39.338 15.447 1.00 0.00 ATOM 77 CB ASP 11 20.698 39.201 13.978 1.00 0.00 ATOM 78 CG ASP 11 19.681 39.897 13.043 1.00 0.00 ATOM 79 OD1 ASP 11 19.714 41.132 12.979 1.00 0.00 ATOM 80 OD2 ASP 11 18.852 39.217 12.423 1.00 0.00 ATOM 81 O ASP 11 22.408 38.986 16.547 1.00 0.00 ATOM 82 C ASP 11 21.256 38.551 16.323 1.00 0.00 ATOM 83 N GLY 12 20.742 37.446 16.863 1.00 0.00 ATOM 84 CA GLY 12 21.503 36.587 17.799 1.00 0.00 ATOM 85 O GLY 12 22.337 36.509 20.038 1.00 0.00 ATOM 86 C GLY 12 21.625 37.115 19.229 1.00 0.00 ATOM 87 N THR 13 20.950 38.242 19.519 1.00 0.00 ATOM 88 CA THR 13 20.911 38.895 20.815 1.00 0.00 ATOM 89 CB THR 13 21.592 40.266 20.749 1.00 0.00 ATOM 90 CG2 THR 13 21.584 40.962 22.097 1.00 0.00 ATOM 91 OG1 THR 13 22.960 40.116 20.318 1.00 0.00 ATOM 92 O THR 13 19.101 38.596 22.381 1.00 0.00 ATOM 93 C THR 13 19.470 39.069 21.298 1.00 0.00 ATOM 94 N LEU 14 18.660 39.747 20.500 1.00 0.00 ATOM 95 CA LEU 14 17.213 39.856 20.825 1.00 0.00 ATOM 96 CB LEU 14 16.701 41.234 20.436 1.00 0.00 ATOM 97 CG LEU 14 17.397 42.438 21.082 1.00 0.00 ATOM 98 CD1 LEU 14 16.846 43.743 20.461 1.00 0.00 ATOM 99 CD2 LEU 14 17.161 42.417 22.579 1.00 0.00 ATOM 100 O LEU 14 15.361 38.353 20.662 1.00 0.00 ATOM 101 C LEU 14 16.368 38.809 20.131 1.00 0.00 ATOM 102 N LEU 15 16.736 38.479 18.910 1.00 0.00 ATOM 103 CA LEU 15 15.936 37.574 18.104 1.00 0.00 ATOM 104 CB LEU 15 14.753 38.321 17.479 1.00 0.00 ATOM 105 CG LEU 15 15.058 39.564 16.591 1.00 0.00 ATOM 106 CD1 LEU 15 15.485 39.195 15.165 1.00 0.00 ATOM 107 CD2 LEU 15 13.783 40.443 16.521 1.00 0.00 ATOM 108 O LEU 15 17.977 37.328 16.858 1.00 0.00 ATOM 109 C LEU 15 16.797 36.942 17.034 1.00 0.00 ATOM 110 N LYS 16 16.198 35.951 16.366 1.00 0.00 ATOM 111 CA LYS 16 16.737 35.327 15.161 1.00 0.00 ATOM 112 CB LYS 16 17.202 33.904 15.422 1.00 0.00 ATOM 113 CG LYS 16 18.442 33.879 16.301 1.00 0.00 ATOM 114 CD LYS 16 18.929 32.489 16.558 1.00 0.00 ATOM 115 CE LYS 16 20.149 32.560 17.489 1.00 0.00 ATOM 116 NZ LYS 16 20.694 31.226 17.853 1.00 0.00 ATOM 117 O LYS 16 14.487 35.294 14.378 1.00 0.00 ATOM 118 C LYS 16 15.691 35.291 14.089 1.00 0.00 ATOM 119 N VAL 17 16.179 35.280 12.845 1.00 0.00 ATOM 120 CA VAL 17 15.327 35.243 11.671 1.00 0.00 ATOM 121 CB VAL 17 15.581 36.429 10.725 1.00 0.00 ATOM 122 CG1 VAL 17 14.431 36.518 9.667 1.00 0.00 ATOM 123 CG2 VAL 17 15.641 37.729 11.520 1.00 0.00 ATOM 124 O VAL 17 16.694 33.483 10.858 1.00 0.00 ATOM 125 C VAL 17 15.578 33.978 10.899 1.00 0.00 ATOM 126 N GLU 18 14.525 33.516 10.239 1.00 0.00 ATOM 127 CA GLU 18 14.559 32.328 9.410 1.00 0.00 ATOM 128 CB GLU 18 13.095 32.001 9.072 1.00 0.00 ATOM 129 CG GLU 18 12.845 30.823 8.287 1.00 0.00 ATOM 130 CD GLU 18 13.290 29.554 8.924 1.00 0.00 ATOM 131 OE1 GLU 18 12.615 29.068 9.859 1.00 0.00 ATOM 132 OE2 GLU 18 14.286 29.018 8.426 1.00 0.00 ATOM 133 O GLU 18 15.789 33.690 7.864 1.00 0.00 ATOM 134 C GLU 18 15.474 32.560 8.182 1.00 0.00 ATOM 135 N SER 19 15.956 31.472 7.560 1.00 0.00 ATOM 136 CA SER 19 16.920 31.514 6.412 1.00 0.00 ATOM 137 CB SER 19 17.267 30.083 5.968 1.00 0.00 ATOM 138 OG SER 19 16.101 29.421 5.480 1.00 0.00 ATOM 139 O SER 19 17.269 32.626 4.290 1.00 0.00 ATOM 140 C SER 19 16.458 32.294 5.162 1.00 0.00 ATOM 141 N MET 20 15.162 32.548 5.064 1.00 0.00 ATOM 142 CA MET 20 14.625 33.485 4.076 1.00 0.00 ATOM 143 CB MET 20 13.120 33.685 4.315 1.00 0.00 ATOM 144 CG MET 20 12.750 34.291 5.663 1.00 0.00 ATOM 145 SD MET 20 12.788 36.249 5.722 1.00 0.00 ATOM 146 CE MET 20 11.442 36.638 4.490 1.00 0.00 ATOM 147 O MET 20 15.426 35.478 2.988 1.00 0.00 ATOM 148 C MET 20 15.347 34.850 4.038 1.00 0.00 ATOM 149 N ASN 21 15.885 35.307 5.165 1.00 0.00 ATOM 150 CA ASN 21 16.601 36.590 5.189 1.00 0.00 ATOM 151 CB ASN 21 17.148 36.869 6.600 1.00 0.00 ATOM 152 CG ASN 21 17.458 38.364 6.858 1.00 0.00 ATOM 153 ND2 ASN 21 17.411 39.190 5.821 1.00 0.00 ATOM 154 OD1 ASN 21 17.756 38.748 7.997 1.00 0.00 ATOM 155 O ASN 21 17.875 37.560 3.388 1.00 0.00 ATOM 156 C ASN 21 17.729 36.608 4.152 1.00 0.00 ATOM 157 N ARG 22 18.507 35.529 4.124 1.00 0.00 ATOM 158 CA ARG 22 19.636 35.396 3.183 1.00 0.00 ATOM 159 CB ARG 22 20.475 34.144 3.536 1.00 0.00 ATOM 160 CG ARG 22 21.287 33.545 2.404 1.00 0.00 ATOM 161 O ARG 22 19.738 35.928 0.843 1.00 0.00 ATOM 162 C ARG 22 19.124 35.372 1.742 1.00 0.00 ATOM 163 N ARG 23 17.968 34.774 1.542 1.00 0.00 ATOM 164 CA ARG 23 17.394 34.674 0.219 1.00 0.00 ATOM 165 CB ARG 23 16.423 33.513 0.175 1.00 0.00 ATOM 166 CG ARG 23 17.149 32.170 0.473 1.00 0.00 ATOM 167 CD ARG 23 16.288 30.932 0.104 1.00 0.00 ATOM 168 NE ARG 23 14.950 31.012 0.712 1.00 0.00 ATOM 169 CZ ARG 23 14.648 30.602 1.944 1.00 0.00 ATOM 170 NH1 ARG 23 15.571 30.047 2.728 1.00 0.00 ATOM 171 NH2 ARG 23 13.407 30.749 2.395 1.00 0.00 ATOM 172 O ARG 23 16.755 36.232 -1.453 1.00 0.00 ATOM 173 C ARG 23 16.744 35.965 -0.270 1.00 0.00 ATOM 174 N VAL 24 16.173 36.748 0.645 1.00 0.00 ATOM 175 CA VAL 24 15.714 38.104 0.347 1.00 0.00 ATOM 176 CB VAL 24 15.075 38.762 1.608 1.00 0.00 ATOM 177 CG1 VAL 24 14.888 40.279 1.419 1.00 0.00 ATOM 178 CG2 VAL 24 13.766 38.108 1.948 1.00 0.00 ATOM 179 O VAL 24 16.731 39.681 -1.140 1.00 0.00 ATOM 180 C VAL 24 16.862 38.969 -0.153 1.00 0.00 ATOM 181 N LEU 25 18.001 38.920 0.525 1.00 0.00 ATOM 182 CA LEU 25 19.139 39.677 0.045 1.00 0.00 ATOM 183 CB LEU 25 20.314 39.647 1.027 1.00 0.00 ATOM 184 CG LEU 25 21.504 40.540 0.606 1.00 0.00 ATOM 185 CD1 LEU 25 21.162 42.016 0.494 1.00 0.00 ATOM 186 CD2 LEU 25 22.649 40.367 1.579 1.00 0.00 ATOM 187 O LEU 25 19.832 40.019 -2.220 1.00 0.00 ATOM 188 C LEU 25 19.596 39.199 -1.332 1.00 0.00 ATOM 189 N ALA 26 19.736 37.889 -1.511 1.00 0.00 ATOM 190 CA ALA 26 20.229 37.360 -2.781 1.00 0.00 ATOM 191 CB ALA 26 20.345 35.838 -2.713 1.00 0.00 ATOM 192 O ALA 26 19.796 38.225 -4.977 1.00 0.00 ATOM 193 C ALA 26 19.318 37.783 -3.934 1.00 0.00 ATOM 194 N ASP 27 18.016 37.667 -3.722 1.00 0.00 ATOM 195 CA ASP 27 17.025 38.114 -4.681 1.00 0.00 ATOM 196 CB ASP 27 15.607 37.748 -4.196 1.00 0.00 ATOM 197 CG ASP 27 15.271 36.283 -4.426 1.00 0.00 ATOM 198 OD1 ASP 27 16.058 35.596 -5.121 1.00 0.00 ATOM 199 OD2 ASP 27 14.225 35.807 -3.927 1.00 0.00 ATOM 200 O ASP 27 16.809 39.997 -6.159 1.00 0.00 ATOM 201 C ASP 27 17.085 39.609 -5.019 1.00 0.00 ATOM 202 N ALA 28 17.416 40.446 -4.033 1.00 0.00 ATOM 203 CA ALA 28 17.495 41.879 -4.252 1.00 0.00 ATOM 204 CB ALA 28 17.512 42.618 -2.930 1.00 0.00 ATOM 205 O ALA 28 18.664 43.037 -6.010 1.00 0.00 ATOM 206 C ALA 28 18.726 42.215 -5.079 1.00 0.00 ATOM 207 N LEU 29 19.844 41.571 -4.773 1.00 0.00 ATOM 208 CA LEU 29 21.049 41.773 -5.548 1.00 0.00 ATOM 209 CB LEU 29 22.252 41.137 -4.831 1.00 0.00 ATOM 210 CG LEU 29 22.551 41.702 -3.449 1.00 0.00 ATOM 211 CD1 LEU 29 23.772 41.042 -2.853 1.00 0.00 ATOM 212 CD2 LEU 29 22.788 43.228 -3.491 1.00 0.00 ATOM 213 O LEU 29 21.466 41.866 -7.916 1.00 0.00 ATOM 214 C LEU 29 20.941 41.247 -6.991 1.00 0.00 ATOM 215 N ILE 30 20.301 40.096 -7.183 1.00 0.00 ATOM 216 CA ILE 30 20.042 39.604 -8.544 1.00 0.00 ATOM 217 CB ILE 30 19.290 38.259 -8.536 1.00 0.00 ATOM 218 CG1 ILE 30 20.213 37.134 -8.057 1.00 0.00 ATOM 219 CG2 ILE 30 18.766 37.926 -9.949 1.00 0.00 ATOM 220 CD1 ILE 30 19.480 35.844 -7.646 1.00 0.00 ATOM 221 O ILE 30 19.531 40.950 -10.487 1.00 0.00 ATOM 222 C ILE 30 19.234 40.642 -9.328 1.00 0.00 ATOM 223 N GLU 31 18.222 41.197 -8.673 1.00 0.00 ATOM 224 CA GLU 31 17.380 42.199 -9.290 1.00 0.00 ATOM 225 CB GLU 31 16.222 42.579 -8.378 1.00 0.00 ATOM 226 CG GLU 31 15.290 43.562 -9.042 1.00 0.00 ATOM 227 CD GLU 31 13.988 43.795 -8.272 1.00 0.00 ATOM 228 OE1 GLU 31 13.606 42.935 -7.428 1.00 0.00 ATOM 229 OE2 GLU 31 13.354 44.859 -8.544 1.00 0.00 ATOM 230 O GLU 31 17.836 44.016 -10.767 1.00 0.00 ATOM 231 C GLU 31 18.127 43.458 -9.716 1.00 0.00 ATOM 232 N VAL 32 19.095 43.892 -8.924 1.00 0.00 ATOM 233 CA VAL 32 19.766 45.165 -9.149 1.00 0.00 ATOM 234 CB VAL 32 20.048 45.859 -7.813 1.00 0.00 ATOM 235 CG1 VAL 32 20.957 47.064 -7.969 1.00 0.00 ATOM 236 CG2 VAL 32 18.698 46.283 -7.158 1.00 0.00 ATOM 237 O VAL 32 21.288 45.712 -10.911 1.00 0.00 ATOM 238 C VAL 32 21.054 44.985 -9.952 1.00 0.00 ATOM 239 N TYR 33 21.879 44.020 -9.564 1.00 0.00 ATOM 240 CA TYR 33 23.168 43.805 -10.223 1.00 0.00 ATOM 241 CB TYR 33 24.253 43.556 -9.174 1.00 0.00 ATOM 242 CG TYR 33 24.499 44.696 -8.218 1.00 0.00 ATOM 243 CD1 TYR 33 25.346 45.747 -8.556 1.00 0.00 ATOM 244 CD2 TYR 33 23.902 44.706 -6.961 1.00 0.00 ATOM 245 CE1 TYR 33 25.593 46.785 -7.650 1.00 0.00 ATOM 246 CE2 TYR 33 24.136 45.723 -6.065 1.00 0.00 ATOM 247 CZ TYR 33 24.980 46.752 -6.405 1.00 0.00 ATOM 248 OH TYR 33 25.181 47.760 -5.502 1.00 0.00 ATOM 249 O TYR 33 24.181 42.481 -11.955 1.00 0.00 ATOM 250 C TYR 33 23.204 42.630 -11.217 1.00 0.00 ATOM 251 N GLY 34 22.175 41.780 -11.209 1.00 0.00 ATOM 252 CA GLY 34 22.171 40.561 -12.014 1.00 0.00 ATOM 253 O GLY 34 22.482 38.201 -11.772 1.00 0.00 ATOM 254 C GLY 34 22.709 39.308 -11.316 1.00 0.00 ATOM 255 N THR 35 23.416 39.482 -10.207 1.00 0.00 ATOM 256 CA THR 35 24.023 38.379 -9.485 1.00 0.00 ATOM 257 CB THR 35 25.523 38.296 -9.760 1.00 0.00 ATOM 258 CG2 THR 35 26.247 39.574 -9.359 1.00 0.00 ATOM 259 OG1 THR 35 26.077 37.182 -9.051 1.00 0.00 ATOM 260 O THR 35 23.724 39.683 -7.512 1.00 0.00 ATOM 261 C THR 35 23.794 38.560 -7.991 1.00 0.00 ATOM 262 N GLU 36 23.667 37.443 -7.280 1.00 0.00 ATOM 263 CA GLU 36 23.637 37.457 -5.815 1.00 0.00 ATOM 264 CB GLU 36 22.822 36.280 -5.250 1.00 0.00 ATOM 265 CG GLU 36 23.314 34.875 -5.629 1.00 0.00 ATOM 266 CD GLU 36 22.584 33.770 -4.853 1.00 0.00 ATOM 267 OE1 GLU 36 23.011 33.454 -3.721 1.00 0.00 ATOM 268 OE2 GLU 36 21.594 33.209 -5.376 1.00 0.00 ATOM 269 O GLU 36 25.177 37.464 -4.007 1.00 0.00 ATOM 270 C GLU 36 25.021 37.443 -5.219 1.00 0.00 ATOM 271 N GLY 37 26.041 37.444 -6.064 1.00 0.00 ATOM 272 CA GLY 37 27.375 37.401 -5.580 1.00 0.00 ATOM 273 O GLY 37 27.038 35.039 -5.538 1.00 0.00 ATOM 274 C GLY 37 27.658 36.004 -5.092 1.00 0.00 ATOM 275 N SER 38 28.606 35.904 -4.178 1.00 0.00 ATOM 276 CA SER 38 29.087 34.624 -3.718 1.00 0.00 ATOM 277 CB SER 38 30.095 34.039 -4.739 1.00 0.00 ATOM 278 OG SER 38 30.418 32.690 -4.458 1.00 0.00 ATOM 279 O SER 38 30.708 35.551 -2.242 1.00 0.00 ATOM 280 C SER 38 29.757 34.789 -2.376 1.00 0.00 ATOM 281 N THR 39 29.154 34.279 -1.323 1.00 0.00 ATOM 282 CA THR 39 27.810 34.674 -0.861 1.00 0.00 ATOM 283 CB THR 39 26.583 34.398 -1.793 1.00 0.00 ATOM 284 CG2 THR 39 26.550 32.922 -2.360 1.00 0.00 ATOM 285 OG1 THR 39 25.376 34.668 -1.046 1.00 0.00 ATOM 286 O THR 39 28.701 33.892 1.187 1.00 0.00 ATOM 287 C THR 39 27.682 34.009 0.495 1.00 0.00 ATOM 288 N ASP 43 30.601 33.566 7.772 1.00 0.00 ATOM 289 CA ASP 43 29.331 33.999 8.347 1.00 0.00 ATOM 290 CB ASP 43 29.168 33.461 9.772 1.00 0.00 ATOM 291 CG ASP 43 30.445 33.587 10.605 1.00 0.00 ATOM 292 OD1 ASP 43 31.325 34.430 10.280 1.00 0.00 ATOM 293 OD2 ASP 43 30.564 32.830 11.604 1.00 0.00 ATOM 294 O ASP 43 30.304 36.199 8.462 1.00 0.00 ATOM 295 C ASP 43 29.267 35.513 8.372 1.00 0.00 ATOM 296 N PHE 44 28.055 36.046 8.308 1.00 0.00 ATOM 297 CA PHE 44 27.918 37.486 8.363 1.00 0.00 ATOM 298 CB PHE 44 27.113 37.967 7.157 1.00 0.00 ATOM 299 CG PHE 44 27.820 37.712 5.821 1.00 0.00 ATOM 300 CD1 PHE 44 29.089 38.241 5.568 1.00 0.00 ATOM 301 CD2 PHE 44 27.226 36.932 4.834 1.00 0.00 ATOM 302 CE1 PHE 44 29.733 38.014 4.356 1.00 0.00 ATOM 303 CE2 PHE 44 27.885 36.699 3.621 1.00 0.00 ATOM 304 CZ PHE 44 29.139 37.235 3.398 1.00 0.00 ATOM 305 O PHE 44 27.002 39.121 9.882 1.00 0.00 ATOM 306 C PHE 44 27.387 37.968 9.727 1.00 0.00 ATOM 307 N SER 45 27.457 37.084 10.725 1.00 0.00 ATOM 308 CA SER 45 27.192 37.451 12.119 1.00 0.00 ATOM 309 CB SER 45 27.543 36.294 13.053 1.00 0.00 ATOM 310 OG SER 45 26.550 35.311 12.970 1.00 0.00 ATOM 311 O SER 45 29.198 38.663 12.483 1.00 0.00 ATOM 312 C SER 45 27.982 38.654 12.569 1.00 0.00 ATOM 313 N GLY 46 27.283 39.670 13.059 1.00 0.00 ATOM 314 CA GLY 46 27.927 40.852 13.582 1.00 0.00 ATOM 315 O GLY 46 28.933 42.895 12.922 1.00 0.00 ATOM 316 C GLY 46 28.408 41.856 12.558 1.00 0.00 ATOM 317 N LYS 47 28.210 41.570 11.270 1.00 0.00 ATOM 318 CA LYS 47 28.679 42.450 10.210 1.00 0.00 ATOM 319 CB LYS 47 29.256 41.609 9.060 1.00 0.00 ATOM 320 CG LYS 47 30.561 40.897 9.480 1.00 0.00 ATOM 321 CD LYS 47 30.934 39.775 8.536 1.00 0.00 ATOM 322 O LYS 47 26.400 43.264 10.022 1.00 0.00 ATOM 323 C LYS 47 27.587 43.445 9.759 1.00 0.00 ATOM 324 N MET 48 28.022 44.533 9.137 1.00 0.00 ATOM 325 CA MET 48 27.117 45.602 8.719 1.00 0.00 ATOM 326 CB MET 48 27.926 46.875 8.527 1.00 0.00 ATOM 327 CG MET 48 28.703 47.354 9.741 1.00 0.00 ATOM 328 SD MET 48 27.486 47.945 11.147 1.00 0.00 ATOM 329 CE MET 48 26.476 48.970 10.330 1.00 0.00 ATOM 330 O MET 48 27.109 44.681 6.531 1.00 0.00 ATOM 331 C MET 48 26.439 45.197 7.398 1.00 0.00 ATOM 332 N ASP 49 25.134 45.438 7.231 1.00 0.00 ATOM 333 CA ASP 49 24.455 45.077 5.975 1.00 0.00 ATOM 334 CB ASP 49 23.004 45.565 5.983 1.00 0.00 ATOM 335 CG ASP 49 22.070 44.649 6.700 1.00 0.00 ATOM 336 OD1 ASP 49 22.489 43.545 7.101 1.00 0.00 ATOM 337 OD2 ASP 49 20.886 45.046 6.888 1.00 0.00 ATOM 338 O ASP 49 25.322 44.961 3.703 1.00 0.00 ATOM 339 C ASP 49 25.193 45.636 4.728 1.00 0.00 ATOM 340 N GLY 50 25.745 46.847 4.835 1.00 0.00 ATOM 341 CA GLY 50 26.408 47.463 3.698 1.00 0.00 ATOM 342 O GLY 50 28.030 46.575 2.209 1.00 0.00 ATOM 343 C GLY 50 27.697 46.762 3.370 1.00 0.00 ATOM 344 N ALA 51 28.401 46.331 4.405 1.00 0.00 ATOM 345 CA ALA 51 29.666 45.642 4.230 1.00 0.00 ATOM 346 CB ALA 51 30.372 45.546 5.555 1.00 0.00 ATOM 347 O ALA 51 30.225 43.734 2.835 1.00 0.00 ATOM 348 C ALA 51 29.422 44.235 3.629 1.00 0.00 ATOM 349 N ILE 52 28.298 43.628 3.977 1.00 0.00 ATOM 350 CA ILE 52 27.929 42.334 3.417 1.00 0.00 ATOM 351 CB ILE 52 26.658 41.763 4.094 1.00 0.00 ATOM 352 CG1 ILE 52 26.951 41.432 5.569 1.00 0.00 ATOM 353 CG2 ILE 52 26.199 40.505 3.353 1.00 0.00 ATOM 354 CD1 ILE 52 25.664 41.129 6.386 1.00 0.00 ATOM 355 O ILE 52 28.130 41.622 1.152 1.00 0.00 ATOM 356 C ILE 52 27.695 42.471 1.907 1.00 0.00 ATOM 357 N ILE 53 27.030 43.552 1.486 1.00 0.00 ATOM 358 CA ILE 53 26.762 43.807 0.067 1.00 0.00 ATOM 359 CB ILE 53 25.842 45.025 -0.139 1.00 0.00 ATOM 360 CG1 ILE 53 24.453 44.687 0.417 1.00 0.00 ATOM 361 CG2 ILE 53 25.786 45.451 -1.614 1.00 0.00 ATOM 362 CD1 ILE 53 23.451 45.861 0.465 1.00 0.00 ATOM 363 O ILE 53 28.225 43.323 -1.712 1.00 0.00 ATOM 364 C ILE 53 28.058 43.949 -0.677 1.00 0.00 ATOM 365 N TYR 54 28.988 44.741 -0.143 1.00 0.00 ATOM 366 CA TYR 54 30.297 44.908 -0.797 1.00 0.00 ATOM 367 CB TYR 54 31.146 46.034 -0.144 1.00 0.00 ATOM 368 CG TYR 54 30.775 47.441 -0.619 1.00 0.00 ATOM 369 CD1 TYR 54 31.345 47.996 -1.763 1.00 0.00 ATOM 370 CD2 TYR 54 29.845 48.209 0.072 1.00 0.00 ATOM 371 CE1 TYR 54 30.987 49.269 -2.201 1.00 0.00 ATOM 372 CE2 TYR 54 29.494 49.481 -0.345 1.00 0.00 ATOM 373 CZ TYR 54 30.056 50.001 -1.494 1.00 0.00 ATOM 374 OH TYR 54 29.675 51.266 -1.892 1.00 0.00 ATOM 375 O TYR 54 31.699 43.315 -1.889 1.00 0.00 ATOM 376 C TYR 54 31.076 43.601 -0.864 1.00 0.00 ATOM 377 N GLU 55 31.038 42.811 0.199 1.00 0.00 ATOM 378 CA GLU 55 31.804 41.578 0.259 1.00 0.00 ATOM 379 CB GLU 55 31.839 40.974 1.669 1.00 0.00 ATOM 380 CG GLU 55 32.729 39.710 1.724 1.00 0.00 ATOM 381 CD GLU 55 33.117 39.268 3.137 1.00 0.00 ATOM 382 OE1 GLU 55 32.772 39.956 4.132 1.00 0.00 ATOM 383 OE2 GLU 55 33.787 38.215 3.243 1.00 0.00 ATOM 384 O GLU 55 32.065 40.140 -1.600 1.00 0.00 ATOM 385 C GLU 55 31.309 40.564 -0.761 1.00 0.00 ATOM 386 N VAL 56 30.036 40.222 -0.735 1.00 0.00 ATOM 387 CA VAL 56 29.540 39.157 -1.622 1.00 0.00 ATOM 388 CB VAL 56 28.110 38.729 -1.240 1.00 0.00 ATOM 389 CG1 VAL 56 28.056 38.352 0.244 1.00 0.00 ATOM 390 CG2 VAL 56 27.120 39.813 -1.555 1.00 0.00 ATOM 391 O VAL 56 29.832 38.598 -3.956 1.00 0.00 ATOM 392 C VAL 56 29.641 39.498 -3.119 1.00 0.00 ATOM 393 N LEU 57 29.510 40.789 -3.449 1.00 0.00 ATOM 394 CA LEU 57 29.678 41.277 -4.809 1.00 0.00 ATOM 395 CB LEU 57 28.980 42.624 -5.011 1.00 0.00 ATOM 396 CG LEU 57 27.444 42.538 -4.876 1.00 0.00 ATOM 397 CD1 LEU 57 26.811 43.913 -5.017 1.00 0.00 ATOM 398 CD2 LEU 57 26.864 41.574 -5.887 1.00 0.00 ATOM 399 O LEU 57 31.519 41.004 -6.315 1.00 0.00 ATOM 400 C LEU 57 31.133 41.380 -5.198 1.00 0.00 ATOM 401 N SER 58 31.971 41.885 -4.308 1.00 0.00 ATOM 402 CA SER 58 33.372 41.980 -4.655 1.00 0.00 ATOM 403 CB SER 58 34.118 42.822 -3.623 1.00 0.00 ATOM 404 OG SER 58 34.200 42.120 -2.408 1.00 0.00 ATOM 405 O SER 58 34.929 40.407 -5.657 1.00 0.00 ATOM 406 C SER 58 34.002 40.567 -4.855 1.00 0.00 ATOM 407 N ASN 59 33.467 39.557 -4.150 1.00 0.00 ATOM 408 CA ASN 59 33.867 38.146 -4.311 1.00 0.00 ATOM 409 CB ASN 59 33.073 37.231 -3.354 1.00 0.00 ATOM 410 CG ASN 59 33.573 37.274 -1.916 1.00 0.00 ATOM 411 ND2 ASN 59 32.758 36.747 -0.987 1.00 0.00 ATOM 412 OD1 ASN 59 34.681 37.733 -1.643 1.00 0.00 ATOM 413 O ASN 59 34.471 36.775 -6.183 1.00 0.00 ATOM 414 C ASN 59 33.694 37.627 -5.739 1.00 0.00 ATOM 415 N VAL 60 32.687 38.120 -6.464 1.00 0.00 ATOM 416 CA VAL 60 32.499 37.692 -7.836 1.00 0.00 ATOM 417 CB VAL 60 31.012 37.396 -8.164 1.00 0.00 ATOM 418 CG1 VAL 60 30.500 36.308 -7.285 1.00 0.00 ATOM 419 CG2 VAL 60 30.146 38.629 -8.053 1.00 0.00 ATOM 420 O VAL 60 32.970 38.445 -10.065 1.00 0.00 ATOM 421 C VAL 60 33.149 38.635 -8.872 1.00 0.00 ATOM 422 N GLY 61 33.907 39.625 -8.416 1.00 0.00 ATOM 423 CA GLY 61 34.735 40.457 -9.294 1.00 0.00 ATOM 424 O GLY 61 34.880 42.595 -10.338 1.00 0.00 ATOM 425 C GLY 61 34.247 41.874 -9.577 1.00 0.00 ATOM 426 N LEU 62 33.129 42.286 -8.983 1.00 0.00 ATOM 427 CA LEU 62 32.656 43.673 -9.122 1.00 0.00 ATOM 428 CB LEU 62 31.250 43.829 -8.546 1.00 0.00 ATOM 429 CG LEU 62 30.052 43.450 -9.417 1.00 0.00 ATOM 430 CD1 LEU 62 29.735 41.969 -9.344 1.00 0.00 ATOM 431 CD2 LEU 62 28.812 44.264 -9.033 1.00 0.00 ATOM 432 O LEU 62 34.037 44.398 -7.337 1.00 0.00 ATOM 433 C LEU 62 33.587 44.664 -8.422 1.00 0.00 ATOM 434 N GLU 63 33.892 45.794 -9.060 1.00 0.00 ATOM 435 CA GLU 63 34.732 46.851 -8.428 1.00 0.00 ATOM 436 CB GLU 63 35.303 47.827 -9.472 1.00 0.00 ATOM 437 CG GLU 63 36.100 47.165 -10.585 1.00 0.00 ATOM 438 CD GLU 63 37.289 46.372 -10.050 1.00 0.00 ATOM 439 OE1 GLU 63 37.843 46.781 -8.994 1.00 0.00 ATOM 440 OE2 GLU 63 37.659 45.338 -10.672 1.00 0.00 ATOM 441 O GLU 63 32.705 47.645 -7.524 1.00 0.00 ATOM 442 C GLU 63 33.913 47.616 -7.404 1.00 0.00 ATOM 443 N ARG 64 34.560 48.219 -6.396 1.00 0.00 ATOM 444 CA ARG 64 33.822 48.949 -5.350 1.00 0.00 ATOM 445 CB ARG 64 34.734 49.517 -4.272 1.00 0.00 ATOM 446 CG ARG 64 35.035 48.530 -3.162 1.00 0.00 ATOM 447 CD ARG 64 35.754 49.202 -2.006 1.00 0.00 ATOM 448 NE ARG 64 34.801 49.875 -1.126 1.00 0.00 ATOM 449 CZ ARG 64 34.212 49.310 -0.074 1.00 0.00 ATOM 450 NH1 ARG 64 34.478 48.043 0.261 1.00 0.00 ATOM 451 NH2 ARG 64 33.358 50.024 0.661 1.00 0.00 ATOM 452 O ARG 64 31.819 50.194 -5.601 1.00 0.00 ATOM 453 C ARG 64 32.983 50.050 -5.949 1.00 0.00 ATOM 454 N ALA 65 33.556 50.787 -6.889 1.00 0.00 ATOM 455 CA ALA 65 32.836 51.882 -7.551 1.00 0.00 ATOM 456 CB ALA 65 33.741 52.597 -8.561 1.00 0.00 ATOM 457 O ALA 65 30.595 52.064 -8.281 1.00 0.00 ATOM 458 C ALA 65 31.595 51.379 -8.250 1.00 0.00 ATOM 459 N GLU 66 31.688 50.195 -8.852 1.00 0.00 ATOM 460 CA GLU 66 30.527 49.569 -9.536 1.00 0.00 ATOM 461 CB GLU 66 31.022 48.367 -10.339 1.00 0.00 ATOM 462 CG GLU 66 29.970 47.608 -11.096 1.00 0.00 ATOM 463 CD GLU 66 30.525 46.359 -11.796 1.00 0.00 ATOM 464 OE1 GLU 66 31.752 46.072 -11.671 1.00 0.00 ATOM 465 OE2 GLU 66 29.717 45.670 -12.467 1.00 0.00 ATOM 466 O GLU 66 28.216 49.339 -8.795 1.00 0.00 ATOM 467 C GLU 66 29.420 49.162 -8.547 1.00 0.00 ATOM 468 N ILE 67 29.833 48.610 -7.417 1.00 0.00 ATOM 469 CA ILE 67 28.889 48.270 -6.369 1.00 0.00 ATOM 470 CB ILE 67 29.568 47.514 -5.226 1.00 0.00 ATOM 471 CG1 ILE 67 30.133 46.185 -5.745 1.00 0.00 ATOM 472 CG2 ILE 67 28.557 47.268 -4.057 1.00 0.00 ATOM 473 CD1 ILE 67 31.247 45.634 -4.908 1.00 0.00 ATOM 474 O ILE 67 27.021 49.625 -5.732 1.00 0.00 ATOM 475 C ILE 67 28.236 49.554 -5.845 1.00 0.00 ATOM 476 N ALA 68 29.061 50.557 -5.544 1.00 0.00 ATOM 477 CA ALA 68 28.599 51.853 -5.014 1.00 0.00 ATOM 478 CB ALA 68 29.786 52.788 -4.837 1.00 0.00 ATOM 479 O ALA 68 26.593 53.121 -5.389 1.00 0.00 ATOM 480 C ALA 68 27.559 52.530 -5.892 1.00 0.00 ATOM 481 N ASP 69 27.740 52.431 -7.203 1.00 0.00 ATOM 482 CA ASP 69 26.834 53.064 -8.149 1.00 0.00 ATOM 483 CB ASP 69 27.258 52.777 -9.592 1.00 0.00 ATOM 484 CG ASP 69 26.502 53.634 -10.594 1.00 0.00 ATOM 485 OD1 ASP 69 26.551 54.871 -10.482 1.00 0.00 ATOM 486 OD2 ASP 69 25.853 53.087 -11.496 1.00 0.00 ATOM 487 O ASP 69 24.482 53.465 -8.266 1.00 0.00 ATOM 488 C ASP 69 25.370 52.659 -7.992 1.00 0.00 ATOM 489 N LYS 70 25.112 51.408 -7.621 1.00 0.00 ATOM 490 CA LYS 70 23.741 50.931 -7.454 1.00 0.00 ATOM 491 CB LYS 70 23.476 49.744 -8.364 1.00 0.00 ATOM 492 CG LYS 70 23.647 50.012 -9.862 1.00 0.00 ATOM 493 CD LYS 70 23.156 48.774 -10.629 1.00 0.00 ATOM 494 CE LYS 70 23.326 48.867 -12.125 1.00 0.00 ATOM 495 NZ LYS 70 23.219 47.492 -12.822 1.00 0.00 ATOM 496 O LYS 70 22.404 49.919 -5.759 1.00 0.00 ATOM 497 C LYS 70 23.420 50.530 -6.014 1.00 0.00 ATOM 498 N PHE 71 24.288 50.889 -5.083 1.00 0.00 ATOM 499 CA PHE 71 24.141 50.466 -3.686 1.00 0.00 ATOM 500 CB PHE 71 25.304 50.997 -2.826 1.00 0.00 ATOM 501 CG PHE 71 25.218 50.593 -1.389 1.00 0.00 ATOM 502 CD1 PHE 71 24.450 51.338 -0.493 1.00 0.00 ATOM 503 CD2 PHE 71 25.867 49.465 -0.927 1.00 0.00 ATOM 504 CE1 PHE 71 24.354 50.992 0.847 1.00 0.00 ATOM 505 CE2 PHE 71 25.755 49.103 0.415 1.00 0.00 ATOM 506 CZ PHE 71 25.001 49.893 1.299 1.00 0.00 ATOM 507 O PHE 71 22.068 50.074 -2.530 1.00 0.00 ATOM 508 C PHE 71 22.797 50.897 -3.097 1.00 0.00 ATOM 509 N ASP 72 22.444 52.174 -3.246 1.00 0.00 ATOM 510 CA ASP 72 21.197 52.670 -2.638 1.00 0.00 ATOM 511 CB ASP 72 21.044 54.192 -2.797 1.00 0.00 ATOM 512 CG ASP 72 22.082 54.978 -2.003 1.00 0.00 ATOM 513 OD1 ASP 72 22.575 54.505 -0.955 1.00 0.00 ATOM 514 OD2 ASP 72 22.446 56.093 -2.453 1.00 0.00 ATOM 515 O ASP 72 19.090 51.582 -2.414 1.00 0.00 ATOM 516 C ASP 72 19.982 51.943 -3.179 1.00 0.00 ATOM 517 N LYS 73 19.947 51.689 -4.488 1.00 0.00 ATOM 518 CA LYS 73 18.855 50.890 -5.054 1.00 0.00 ATOM 519 CB LYS 73 18.919 50.897 -6.580 1.00 0.00 ATOM 520 CG LYS 73 17.861 50.019 -7.224 1.00 0.00 ATOM 521 CD LYS 73 17.213 50.637 -8.434 1.00 0.00 ATOM 522 CE LYS 73 15.851 49.943 -8.713 1.00 0.00 ATOM 523 NZ LYS 73 14.820 50.168 -7.616 1.00 0.00 ATOM 524 O LYS 73 17.766 48.899 -4.244 1.00 0.00 ATOM 525 C LYS 73 18.826 49.440 -4.518 1.00 0.00 ATOM 526 N ALA 74 19.996 48.823 -4.381 1.00 0.00 ATOM 527 CA ALA 74 20.106 47.490 -3.757 1.00 0.00 ATOM 528 CB ALA 74 21.553 47.008 -3.780 1.00 0.00 ATOM 529 O ALA 74 18.784 46.633 -1.939 1.00 0.00 ATOM 530 C ALA 74 19.571 47.505 -2.326 1.00 0.00 ATOM 531 N LYS 75 19.977 48.506 -1.548 1.00 0.00 ATOM 532 CA LYS 75 19.455 48.678 -0.184 1.00 0.00 ATOM 533 CB LYS 75 20.036 49.932 0.473 1.00 0.00 ATOM 534 CG LYS 75 19.488 50.299 1.827 1.00 0.00 ATOM 535 CD LYS 75 20.055 51.612 2.242 1.00 0.00 ATOM 536 CE LYS 75 19.488 52.079 3.549 1.00 0.00 ATOM 537 NZ LYS 75 20.135 53.390 3.885 1.00 0.00 ATOM 538 O LYS 75 17.290 47.962 0.529 1.00 0.00 ATOM 539 C LYS 75 17.931 48.742 -0.181 1.00 0.00 ATOM 540 N GLU 76 17.358 49.658 -0.975 1.00 0.00 ATOM 541 CA GLU 76 15.914 49.865 -0.992 1.00 0.00 ATOM 542 CB GLU 76 15.555 51.032 -1.925 1.00 0.00 ATOM 543 O GLU 76 14.082 48.321 -0.921 1.00 0.00 ATOM 544 C GLU 76 15.153 48.614 -1.438 1.00 0.00 ATOM 545 N THR 77 15.700 47.907 -2.420 1.00 0.00 ATOM 546 CA THR 77 15.083 46.682 -2.935 1.00 0.00 ATOM 547 CB THR 77 15.813 46.198 -4.231 1.00 0.00 ATOM 548 CG2 THR 77 15.190 44.900 -4.790 1.00 0.00 ATOM 549 OG1 THR 77 15.755 47.228 -5.233 1.00 0.00 ATOM 550 O THR 77 14.033 44.978 -1.596 1.00 0.00 ATOM 551 C THR 77 15.069 45.596 -1.839 1.00 0.00 ATOM 552 N TYR 78 16.200 45.430 -1.153 1.00 0.00 ATOM 553 CA TYR 78 16.323 44.482 -0.033 1.00 0.00 ATOM 554 CB TYR 78 17.758 44.522 0.537 1.00 0.00 ATOM 555 CG TYR 78 17.849 43.871 1.903 1.00 0.00 ATOM 556 CD1 TYR 78 17.712 42.509 2.043 1.00 0.00 ATOM 557 CD2 TYR 78 18.014 44.637 3.048 1.00 0.00 ATOM 558 CE1 TYR 78 17.751 41.902 3.293 1.00 0.00 ATOM 559 CE2 TYR 78 18.061 44.048 4.300 1.00 0.00 ATOM 560 CZ TYR 78 17.921 42.677 4.413 1.00 0.00 ATOM 561 OH TYR 78 17.956 42.071 5.639 1.00 0.00 ATOM 562 O TYR 78 14.544 43.900 1.506 1.00 0.00 ATOM 563 C TYR 78 15.285 44.781 1.070 1.00 0.00 ATOM 564 N ILE 79 15.217 46.045 1.482 1.00 0.00 ATOM 565 CA ILE 79 14.303 46.451 2.544 1.00 0.00 ATOM 566 CB ILE 79 14.492 47.964 2.900 1.00 0.00 ATOM 567 CG1 ILE 79 15.848 48.172 3.564 1.00 0.00 ATOM 568 CG2 ILE 79 13.369 48.458 3.777 1.00 0.00 ATOM 569 CD1 ILE 79 16.330 49.605 3.613 1.00 0.00 ATOM 570 O ILE 79 12.084 45.600 2.937 1.00 0.00 ATOM 571 C ILE 79 12.854 46.169 2.151 1.00 0.00 ATOM 572 N ALA 80 12.480 46.585 0.947 1.00 0.00 ATOM 573 CA ALA 80 11.118 46.417 0.474 1.00 0.00 ATOM 574 CB ALA 80 10.951 47.083 -0.879 1.00 0.00 ATOM 575 O ALA 80 9.679 44.514 0.806 1.00 0.00 ATOM 576 C ALA 80 10.760 44.940 0.375 1.00 0.00 ATOM 577 N LEU 81 11.690 44.144 -0.147 1.00 0.00 ATOM 578 CA LEU 81 11.451 42.697 -0.281 1.00 0.00 ATOM 579 CB LEU 81 12.580 42.068 -1.074 1.00 0.00 ATOM 580 CG LEU 81 12.228 40.947 -2.031 1.00 0.00 ATOM 581 CD1 LEU 81 10.987 41.271 -2.879 1.00 0.00 ATOM 582 CD2 LEU 81 13.465 40.692 -2.903 1.00 0.00 ATOM 583 O LEU 81 10.482 41.143 1.269 1.00 0.00 ATOM 584 C LEU 81 11.336 42.016 1.084 1.00 0.00 ATOM 585 N PHE 82 12.170 42.438 2.035 1.00 0.00 ATOM 586 CA PHE 82 12.125 41.892 3.384 1.00 0.00 ATOM 587 CB PHE 82 13.285 42.416 4.251 1.00 0.00 ATOM 588 CG PHE 82 13.365 41.735 5.584 1.00 0.00 ATOM 589 CD1 PHE 82 13.794 40.421 5.669 1.00 0.00 ATOM 590 CD2 PHE 82 12.866 42.355 6.729 1.00 0.00 ATOM 591 CE1 PHE 82 13.816 39.758 6.900 1.00 0.00 ATOM 592 CE2 PHE 82 12.855 41.687 7.965 1.00 0.00 ATOM 593 CZ PHE 82 13.328 40.397 8.047 1.00 0.00 ATOM 594 O PHE 82 10.101 41.292 4.533 1.00 0.00 ATOM 595 C PHE 82 10.757 42.191 3.999 1.00 0.00 ATOM 596 N ARG 83 10.301 43.434 3.855 1.00 0.00 ATOM 597 CA ARG 83 9.026 43.850 4.437 1.00 0.00 ATOM 598 CB ARG 83 8.872 45.390 4.379 1.00 0.00 ATOM 599 CG ARG 83 9.892 46.114 5.341 1.00 0.00 ATOM 600 CD ARG 83 9.687 47.642 5.575 1.00 0.00 ATOM 601 O ARG 83 6.842 42.880 4.429 1.00 0.00 ATOM 602 C ARG 83 7.866 43.127 3.788 1.00 0.00 ATOM 603 N GLU 84 8.029 42.767 2.522 1.00 0.00 ATOM 604 CA GLU 84 7.008 42.065 1.776 1.00 0.00 ATOM 605 CB GLU 84 7.355 42.119 0.288 1.00 0.00 ATOM 606 CG GLU 84 6.208 41.804 -0.627 1.00 0.00 ATOM 607 CD GLU 84 6.664 41.348 -2.012 1.00 0.00 ATOM 608 OE1 GLU 84 7.605 41.960 -2.599 1.00 0.00 ATOM 609 OE2 GLU 84 6.061 40.363 -2.515 1.00 0.00 ATOM 610 O GLU 84 5.815 40.073 2.312 1.00 0.00 ATOM 611 C GLU 84 6.901 40.603 2.192 1.00 0.00 ATOM 612 N ARG 85 8.031 39.936 2.378 1.00 0.00 ATOM 613 CA ARG 85 8.015 38.482 2.539 1.00 0.00 ATOM 614 CB ARG 85 9.208 37.847 1.830 1.00 0.00 ATOM 615 CG ARG 85 9.234 38.028 0.343 1.00 0.00 ATOM 616 CD ARG 85 10.445 37.307 -0.182 1.00 0.00 ATOM 617 NE ARG 85 10.644 37.494 -1.612 1.00 0.00 ATOM 618 CZ ARG 85 11.730 37.089 -2.271 1.00 0.00 ATOM 619 NH1 ARG 85 12.726 36.486 -1.638 1.00 0.00 ATOM 620 NH2 ARG 85 11.809 37.301 -3.578 1.00 0.00 ATOM 621 O ARG 85 7.466 36.952 4.281 1.00 0.00 ATOM 622 C ARG 85 8.022 38.001 3.989 1.00 0.00 ATOM 623 N ALA 86 8.717 38.715 4.871 1.00 0.00 ATOM 624 CA ALA 86 8.849 38.284 6.260 1.00 0.00 ATOM 625 CB ALA 86 9.763 39.216 7.007 1.00 0.00 ATOM 626 O ALA 86 6.630 39.051 6.759 1.00 0.00 ATOM 627 C ALA 86 7.484 38.201 6.964 1.00 0.00 ATOM 628 N ARG 87 7.289 37.166 7.778 1.00 0.00 ATOM 629 CA ARG 87 6.100 37.008 8.612 1.00 0.00 ATOM 630 CB ARG 87 5.241 35.824 8.147 1.00 0.00 ATOM 631 CG ARG 87 4.762 35.855 6.677 1.00 0.00 ATOM 632 CD ARG 87 3.720 36.941 6.426 1.00 0.00 ATOM 633 NE ARG 87 3.222 36.941 5.040 1.00 0.00 ATOM 634 CZ ARG 87 3.570 37.806 4.075 1.00 0.00 ATOM 635 NH1 ARG 87 4.447 38.782 4.299 1.00 0.00 ATOM 636 NH2 ARG 87 3.035 37.688 2.857 1.00 0.00 ATOM 637 O ARG 87 7.703 36.380 10.294 1.00 0.00 ATOM 638 C ARG 87 6.545 36.740 10.045 1.00 0.00 ATOM 639 N ARG 88 5.610 36.884 10.986 1.00 0.00 ATOM 640 CA ARG 88 5.896 36.680 12.413 1.00 0.00 ATOM 641 CB ARG 88 4.592 36.737 13.211 1.00 0.00 ATOM 642 CG ARG 88 4.740 36.384 14.690 1.00 0.00 ATOM 643 CD ARG 88 5.722 37.309 15.405 1.00 0.00 ATOM 644 NE ARG 88 5.909 36.955 16.812 1.00 0.00 ATOM 645 CZ ARG 88 6.884 36.177 17.287 1.00 0.00 ATOM 646 NH1 ARG 88 7.785 35.633 16.484 1.00 0.00 ATOM 647 NH2 ARG 88 6.946 35.917 18.586 1.00 0.00 ATOM 648 O ARG 88 7.495 35.225 13.426 1.00 0.00 ATOM 649 C ARG 88 6.571 35.340 12.646 1.00 0.00 ATOM 650 N GLU 89 6.131 34.336 11.899 1.00 0.00 ATOM 651 CA GLU 89 6.658 32.972 12.032 1.00 0.00 ATOM 652 CB GLU 89 5.797 32.017 11.220 1.00 0.00 ATOM 653 CG GLU 89 4.377 31.847 11.783 1.00 0.00 ATOM 654 CD GLU 89 3.416 33.016 11.495 1.00 0.00 ATOM 655 OE1 GLU 89 3.667 33.815 10.565 1.00 0.00 ATOM 656 OE2 GLU 89 2.395 33.139 12.225 1.00 0.00 ATOM 657 O GLU 89 8.742 31.773 11.896 1.00 0.00 ATOM 658 C GLU 89 8.119 32.813 11.617 1.00 0.00 ATOM 659 N ASP 90 8.653 33.814 10.927 1.00 0.00 ATOM 660 CA ASP 90 10.072 33.858 10.566 1.00 0.00 ATOM 661 CB ASP 90 10.278 34.741 9.321 1.00 0.00 ATOM 662 CG ASP 90 9.594 34.178 8.080 1.00 0.00 ATOM 663 OD1 ASP 90 9.630 32.941 7.884 1.00 0.00 ATOM 664 OD2 ASP 90 9.035 34.964 7.285 1.00 0.00 ATOM 665 O ASP 90 12.176 34.197 11.636 1.00 0.00 ATOM 666 C ASP 90 10.968 34.359 11.707 1.00 0.00 ATOM 667 N ILE 91 10.377 34.953 12.752 1.00 0.00 ATOM 668 CA ILE 91 11.139 35.587 13.838 1.00 0.00 ATOM 669 CB ILE 91 10.663 37.087 14.130 1.00 0.00 ATOM 670 CG1 ILE 91 10.612 37.935 12.851 1.00 0.00 ATOM 671 CG2 ILE 91 11.550 37.770 15.165 1.00 0.00 ATOM 672 CD1 ILE 91 11.938 38.112 12.110 1.00 0.00 ATOM 673 O ILE 91 9.889 34.352 15.496 1.00 0.00 ATOM 674 C ILE 91 10.990 34.748 15.105 1.00 0.00 ATOM 675 N THR 92 12.101 34.486 15.754 1.00 0.00 ATOM 676 CA THR 92 12.132 33.800 17.021 1.00 0.00 ATOM 677 CB THR 92 13.071 32.591 16.901 1.00 0.00 ATOM 678 CG2 THR 92 13.329 31.923 18.248 1.00 0.00 ATOM 679 OG1 THR 92 12.482 31.659 15.992 1.00 0.00 ATOM 680 O THR 92 13.852 35.152 17.931 1.00 0.00 ATOM 681 C THR 92 12.712 34.769 18.045 1.00 0.00 ATOM 682 N LEU 93 11.902 35.175 19.017 1.00 0.00 ATOM 683 CA LEU 93 12.392 35.969 20.140 1.00 0.00 ATOM 684 CB LEU 93 11.180 36.584 20.859 1.00 0.00 ATOM 685 CG LEU 93 11.379 37.956 21.511 1.00 0.00 ATOM 686 CD1 LEU 93 11.496 39.026 20.453 1.00 0.00 ATOM 687 CD2 LEU 93 10.261 38.294 22.454 1.00 0.00 ATOM 688 O LEU 93 12.866 33.975 21.413 1.00 0.00 ATOM 689 C LEU 93 13.253 35.086 21.076 1.00 0.00 ATOM 690 N LEU 94 14.444 35.548 21.461 1.00 0.00 ATOM 691 CA LEU 94 15.331 34.742 22.292 1.00 0.00 ATOM 692 CB LEU 94 16.755 35.229 22.109 1.00 0.00 ATOM 693 CG LEU 94 17.202 35.060 20.666 1.00 0.00 ATOM 694 CD1 LEU 94 18.671 35.463 20.506 1.00 0.00 ATOM 695 CD2 LEU 94 17.013 33.615 20.190 1.00 0.00 ATOM 696 O LEU 94 13.983 35.489 24.135 1.00 0.00 ATOM 697 C LEU 94 14.892 34.730 23.752 1.00 0.00 ATOM 698 N GLU 95 15.516 33.867 24.563 1.00 0.00 ATOM 699 CA GLU 95 15.014 33.586 25.917 1.00 0.00 ATOM 700 CB GLU 95 15.783 32.417 26.576 1.00 0.00 ATOM 701 CG GLU 95 15.234 32.078 27.975 1.00 0.00 ATOM 702 CD GLU 95 15.806 30.796 28.573 1.00 0.00 ATOM 703 OE1 GLU 95 16.847 30.309 28.089 1.00 0.00 ATOM 704 OE2 GLU 95 15.201 30.295 29.550 1.00 0.00 ATOM 705 O GLU 95 16.156 35.441 26.883 1.00 0.00 ATOM 706 C GLU 95 15.100 34.825 26.798 1.00 0.00 ATOM 707 N GLY 96 13.991 35.229 27.399 1.00 0.00 ATOM 708 CA GLY 96 14.008 36.313 28.404 1.00 0.00 ATOM 709 O GLY 96 14.047 38.704 28.666 1.00 0.00 ATOM 710 C GLY 96 14.019 37.746 27.886 1.00 0.00 ATOM 711 N VAL 97 13.979 37.901 26.567 1.00 0.00 ATOM 712 CA VAL 97 14.161 39.213 25.941 1.00 0.00 ATOM 713 CB VAL 97 14.310 39.048 24.426 1.00 0.00 ATOM 714 CG1 VAL 97 14.069 40.385 23.675 1.00 0.00 ATOM 715 CG2 VAL 97 15.659 38.443 24.128 1.00 0.00 ATOM 716 O VAL 97 13.314 41.341 26.672 1.00 0.00 ATOM 717 C VAL 97 13.038 40.209 26.285 1.00 0.00 ATOM 718 N ARG 98 11.777 39.789 26.167 1.00 0.00 ATOM 719 CA ARG 98 10.677 40.729 26.421 1.00 0.00 ATOM 720 CB ARG 98 9.314 40.166 26.012 1.00 0.00 ATOM 721 CG ARG 98 8.212 41.266 25.978 1.00 0.00 ATOM 722 CD ARG 98 6.804 40.766 25.702 1.00 0.00 ATOM 723 NE ARG 98 6.734 39.868 24.547 1.00 0.00 ATOM 724 CZ ARG 98 6.605 40.257 23.275 1.00 0.00 ATOM 725 NH1 ARG 98 6.501 41.548 22.938 1.00 0.00 ATOM 726 NH2 ARG 98 6.570 39.337 22.326 1.00 0.00 ATOM 727 O ARG 98 10.515 42.337 28.203 1.00 0.00 ATOM 728 C ARG 98 10.679 41.167 27.895 1.00 0.00 ATOM 729 N GLU 99 10.918 40.202 28.788 1.00 0.00 ATOM 730 CA GLU 99 11.016 40.438 30.223 1.00 0.00 ATOM 731 CB GLU 99 11.286 39.126 30.964 1.00 0.00 ATOM 732 CG GLU 99 10.166 38.073 30.855 1.00 0.00 ATOM 733 CD GLU 99 10.151 37.277 29.532 1.00 0.00 ATOM 734 OE1 GLU 99 11.051 37.438 28.657 1.00 0.00 ATOM 735 OE2 GLU 99 9.200 36.480 29.365 1.00 0.00 ATOM 736 O GLU 99 11.938 42.332 31.360 1.00 0.00 ATOM 737 C GLU 99 12.126 41.444 30.544 1.00 0.00 ATOM 738 N LEU 100 13.252 41.315 29.859 1.00 0.00 ATOM 739 CA LEU 100 14.404 42.164 30.118 1.00 0.00 ATOM 740 CB LEU 100 15.643 41.603 29.408 1.00 0.00 ATOM 741 CG LEU 100 16.939 42.414 29.528 1.00 0.00 ATOM 742 CD1 LEU 100 17.334 42.626 30.985 1.00 0.00 ATOM 743 CD2 LEU 100 18.085 41.768 28.748 1.00 0.00 ATOM 744 O LEU 100 14.473 44.574 30.303 1.00 0.00 ATOM 745 C LEU 100 14.135 43.595 29.636 1.00 0.00 ATOM 746 N LEU 101 13.542 43.711 28.454 1.00 0.00 ATOM 747 CA LEU 101 13.250 45.006 27.873 1.00 0.00 ATOM 748 CB LEU 101 12.842 44.851 26.408 1.00 0.00 ATOM 749 CG LEU 101 13.958 44.421 25.440 1.00 0.00 ATOM 750 CD1 LEU 101 13.478 44.336 24.020 1.00 0.00 ATOM 751 CD2 LEU 101 15.155 45.337 25.498 1.00 0.00 ATOM 752 O LEU 101 12.292 46.920 28.911 1.00 0.00 ATOM 753 C LEU 101 12.178 45.731 28.694 1.00 0.00 ATOM 754 N ASP 102 11.164 45.020 29.179 1.00 0.00 ATOM 755 CA ASP 102 10.205 45.611 30.113 1.00 0.00 ATOM 756 CB ASP 102 9.199 44.573 30.577 1.00 0.00 ATOM 757 CG ASP 102 8.149 44.296 29.566 1.00 0.00 ATOM 758 OD1 ASP 102 8.068 45.074 28.587 1.00 0.00 ATOM 759 OD2 ASP 102 7.393 43.303 29.752 1.00 0.00 ATOM 760 O ASP 102 10.502 47.232 31.838 1.00 0.00 ATOM 761 C ASP 102 10.867 46.158 31.378 1.00 0.00 ATOM 762 N ALA 103 11.777 45.375 31.954 1.00 0.00 ATOM 763 CA ALA 103 12.483 45.743 33.177 1.00 0.00 ATOM 764 CB ALA 103 13.364 44.588 33.653 1.00 0.00 ATOM 765 O ALA 103 13.399 47.838 33.879 1.00 0.00 ATOM 766 C ALA 103 13.325 47.002 32.984 1.00 0.00 ATOM 767 N LEU 104 13.971 47.130 31.821 1.00 0.00 ATOM 768 CA LEU 104 14.799 48.282 31.517 1.00 0.00 ATOM 769 CB LEU 104 15.754 47.951 30.364 1.00 0.00 ATOM 770 CG LEU 104 16.844 46.968 30.754 1.00 0.00 ATOM 771 CD1 LEU 104 17.472 46.397 29.504 1.00 0.00 ATOM 772 CD2 LEU 104 17.916 47.626 31.661 1.00 0.00 ATOM 773 O LEU 104 14.344 50.638 31.601 1.00 0.00 ATOM 774 C LEU 104 14.009 49.529 31.165 1.00 0.00 ATOM 775 N SER 105 12.957 49.354 30.379 1.00 0.00 ATOM 776 CA SER 105 12.259 50.484 29.805 1.00 0.00 ATOM 777 CB SER 105 11.423 50.037 28.612 1.00 0.00 ATOM 778 OG SER 105 10.437 49.120 29.031 1.00 0.00 ATOM 779 O SER 105 11.063 52.361 30.665 1.00 0.00 ATOM 780 C SER 105 11.381 51.197 30.834 1.00 0.00 ATOM 781 N SER 106 11.006 50.485 31.891 1.00 0.00 ATOM 782 CA SER 106 10.244 51.049 32.990 1.00 0.00 ATOM 783 CB SER 106 9.647 49.915 33.805 1.00 0.00 ATOM 784 OG SER 106 10.660 49.276 34.551 1.00 0.00 ATOM 785 O SER 106 10.515 52.690 34.745 1.00 0.00 ATOM 786 C SER 106 11.079 51.952 33.925 1.00 0.00 ATOM 787 N ARG 107 12.404 51.884 33.813 1.00 0.00 ATOM 788 CA ARG 107 13.297 52.735 34.600 1.00 0.00 ATOM 789 CB ARG 107 14.610 52.024 34.811 1.00 0.00 ATOM 790 CG ARG 107 14.476 50.795 35.671 1.00 0.00 ATOM 791 CD ARG 107 15.826 50.219 35.933 1.00 0.00 ATOM 792 NE ARG 107 16.686 51.086 36.755 1.00 0.00 ATOM 793 CZ ARG 107 16.846 50.980 38.077 1.00 0.00 ATOM 794 NH1 ARG 107 16.182 50.076 38.785 1.00 0.00 ATOM 795 NH2 ARG 107 17.687 51.785 38.704 1.00 0.00 ATOM 796 O ARG 107 14.050 54.110 32.814 1.00 0.00 ATOM 797 C ARG 107 13.584 54.072 33.943 1.00 0.00 ATOM 798 N SER 108 13.339 55.164 34.675 1.00 0.00 ATOM 799 CA SER 108 13.600 56.529 34.195 1.00 0.00 ATOM 800 CB SER 108 13.051 57.555 35.180 1.00 0.00 ATOM 801 OG SER 108 13.661 57.373 36.460 1.00 0.00 ATOM 802 O SER 108 15.459 57.550 33.103 1.00 0.00 ATOM 803 C SER 108 15.092 56.799 33.990 1.00 0.00 ATOM 804 N ASP 109 15.942 56.165 34.789 1.00 0.00 ATOM 805 CA ASP 109 17.398 56.350 34.679 1.00 0.00 ATOM 806 CB ASP 109 18.077 55.927 35.982 1.00 0.00 ATOM 807 CG ASP 109 17.763 54.497 36.363 1.00 0.00 ATOM 808 OD1 ASP 109 16.590 54.094 36.271 1.00 0.00 ATOM 809 OD2 ASP 109 18.684 53.775 36.776 1.00 0.00 ATOM 810 O ASP 109 19.272 55.650 33.344 1.00 0.00 ATOM 811 C ASP 109 18.051 55.584 33.511 1.00 0.00 ATOM 812 N VAL 110 17.256 54.865 32.720 1.00 0.00 ATOM 813 CA VAL 110 17.773 54.075 31.607 1.00 0.00 ATOM 814 CB VAL 110 17.303 52.608 31.691 1.00 0.00 ATOM 815 CG1 VAL 110 17.761 51.783 30.443 1.00 0.00 ATOM 816 CG2 VAL 110 17.814 51.962 32.941 1.00 0.00 ATOM 817 O VAL 110 16.123 54.939 30.097 1.00 0.00 ATOM 818 C VAL 110 17.305 54.656 30.275 1.00 0.00 ATOM 819 N LEU 111 18.239 54.829 29.339 1.00 0.00 ATOM 820 CA LEU 111 17.858 55.111 27.950 1.00 0.00 ATOM 821 CB LEU 111 18.592 56.325 27.403 1.00 0.00 ATOM 822 CG LEU 111 18.355 56.582 25.914 1.00 0.00 ATOM 823 CD1 LEU 111 16.889 56.855 25.605 1.00 0.00 ATOM 824 CD2 LEU 111 19.227 57.712 25.460 1.00 0.00 ATOM 825 O LEU 111 19.323 53.469 27.025 1.00 0.00 ATOM 826 C LEU 111 18.181 53.897 27.086 1.00 0.00 ATOM 827 N LEU 112 17.192 53.343 26.405 1.00 0.00 ATOM 828 CA LEU 112 17.461 52.181 25.531 1.00 0.00 ATOM 829 CB LEU 112 16.324 51.179 25.550 1.00 0.00 ATOM 830 CG LEU 112 16.190 50.217 26.731 1.00 0.00 ATOM 831 CD1 LEU 112 14.824 49.583 26.615 1.00 0.00 ATOM 832 CD2 LEU 112 17.251 49.165 26.705 1.00 0.00 ATOM 833 O LEU 112 16.956 53.515 23.614 1.00 0.00 ATOM 834 C LEU 112 17.673 52.637 24.094 1.00 0.00 ATOM 835 N GLY 113 18.672 52.054 23.429 1.00 0.00 ATOM 836 CA GLY 113 18.866 52.252 21.998 1.00 0.00 ATOM 837 O GLY 113 19.787 50.009 21.911 1.00 0.00 ATOM 838 C GLY 113 19.379 50.995 21.279 1.00 0.00 ATOM 839 N LEU 114 19.361 51.043 19.948 1.00 0.00 ATOM 840 CA LEU 114 19.818 49.954 19.130 1.00 0.00 ATOM 841 CB LEU 114 18.893 49.772 17.958 1.00 0.00 ATOM 842 CG LEU 114 17.492 49.303 18.381 1.00 0.00 ATOM 843 CD1 LEU 114 16.569 49.481 17.248 1.00 0.00 ATOM 844 CD2 LEU 114 17.522 47.817 18.799 1.00 0.00 ATOM 845 O LEU 114 21.389 51.477 18.279 1.00 0.00 ATOM 846 C LEU 114 21.170 50.319 18.603 1.00 0.00 ATOM 847 N LEU 115 22.060 49.341 18.507 1.00 0.00 ATOM 848 CA LEU 115 23.323 49.469 17.806 1.00 0.00 ATOM 849 CB LEU 115 24.497 49.635 18.778 1.00 0.00 ATOM 850 CG LEU 115 25.768 50.183 18.137 1.00 0.00 ATOM 851 CD1 LEU 115 26.690 50.771 19.169 1.00 0.00 ATOM 852 CD2 LEU 115 26.520 49.124 17.340 1.00 0.00 ATOM 853 O LEU 115 23.751 47.117 17.636 1.00 0.00 ATOM 854 C LEU 115 23.474 48.173 17.025 1.00 0.00 ATOM 855 N THR 116 23.225 48.249 15.705 1.00 0.00 ATOM 856 CA THR 116 23.000 47.061 14.904 1.00 0.00 ATOM 857 CB THR 116 21.482 46.778 14.866 1.00 0.00 ATOM 858 CG2 THR 116 20.715 48.016 14.484 1.00 0.00 ATOM 859 OG1 THR 116 21.204 45.696 13.987 1.00 0.00 ATOM 860 O THR 116 23.755 48.185 12.931 1.00 0.00 ATOM 861 C THR 116 23.570 47.104 13.500 1.00 0.00 ATOM 862 N GLY 117 23.856 45.915 12.951 1.00 0.00 ATOM 863 CA GLY 117 24.325 45.775 11.561 1.00 0.00 ATOM 864 O GLY 117 23.412 45.956 9.352 1.00 0.00 ATOM 865 C GLY 117 23.184 45.865 10.560 1.00 0.00 ATOM 866 N ASN 118 21.941 45.793 11.035 1.00 0.00 ATOM 867 CA ASN 118 20.789 45.987 10.162 1.00 0.00 ATOM 868 CB ASN 118 19.482 45.629 10.903 1.00 0.00 ATOM 869 CG ASN 118 19.311 44.136 11.155 1.00 0.00 ATOM 870 ND2 ASN 118 19.604 43.688 12.396 1.00 0.00 ATOM 871 OD1 ASN 118 18.836 43.406 10.268 1.00 0.00 ATOM 872 O ASN 118 20.934 48.393 10.434 1.00 0.00 ATOM 873 C ASN 118 20.660 47.449 9.677 1.00 0.00 ATOM 874 N PHE 119 20.224 47.633 8.423 1.00 0.00 ATOM 875 CA PHE 119 19.632 48.885 8.003 1.00 0.00 ATOM 876 CB PHE 119 19.104 48.825 6.552 1.00 0.00 ATOM 877 CG PHE 119 20.173 48.602 5.500 1.00 0.00 ATOM 878 CD1 PHE 119 21.238 49.484 5.365 1.00 0.00 ATOM 879 CD2 PHE 119 20.078 47.537 4.607 1.00 0.00 ATOM 880 CE1 PHE 119 22.231 49.274 4.379 1.00 0.00 ATOM 881 CE2 PHE 119 21.041 47.341 3.633 1.00 0.00 ATOM 882 CZ PHE 119 22.125 48.205 3.527 1.00 0.00 ATOM 883 O PHE 119 17.834 48.149 9.435 1.00 0.00 ATOM 884 C PHE 119 18.462 49.108 8.967 1.00 0.00 ATOM 885 N GLU 120 18.189 50.362 9.303 1.00 0.00 ATOM 886 CA GLU 120 17.133 50.670 10.260 1.00 0.00 ATOM 887 CB GLU 120 16.962 52.175 10.480 1.00 0.00 ATOM 888 CG GLU 120 15.899 52.520 11.549 1.00 0.00 ATOM 889 CD GLU 120 15.910 54.004 12.018 1.00 0.00 ATOM 890 OE1 GLU 120 16.651 54.847 11.454 1.00 0.00 ATOM 891 OE2 GLU 120 15.188 54.309 12.979 1.00 0.00 ATOM 892 O GLU 120 15.076 49.584 10.691 1.00 0.00 ATOM 893 C GLU 120 15.790 50.115 9.844 1.00 0.00 ATOM 894 N ALA 121 15.419 50.259 8.575 1.00 0.00 ATOM 895 CA ALA 121 14.050 49.942 8.195 1.00 0.00 ATOM 896 CB ALA 121 13.746 50.429 6.785 1.00 0.00 ATOM 897 O ALA 121 12.736 48.029 8.788 1.00 0.00 ATOM 898 C ALA 121 13.803 48.436 8.325 1.00 0.00 ATOM 899 N SER 122 14.800 47.630 7.937 1.00 0.00 ATOM 900 CA SER 122 14.684 46.174 8.020 1.00 0.00 ATOM 901 CB SER 122 15.534 45.497 6.975 1.00 0.00 ATOM 902 OG SER 122 16.876 45.951 7.010 1.00 0.00 ATOM 903 O SER 122 14.268 44.700 9.901 1.00 0.00 ATOM 904 C SER 122 14.947 45.637 9.442 1.00 0.00 ATOM 905 N GLY 123 15.900 46.230 10.145 1.00 0.00 ATOM 906 CA GLY 123 16.164 45.880 11.556 1.00 0.00 ATOM 907 O GLY 123 14.504 45.290 13.200 1.00 0.00 ATOM 908 C GLY 123 14.918 46.145 12.390 1.00 0.00 ATOM 909 N ARG 124 14.275 47.301 12.188 1.00 0.00 ATOM 910 CA ARG 124 13.068 47.621 12.974 1.00 0.00 ATOM 911 CB ARG 124 12.726 49.128 12.967 1.00 0.00 ATOM 912 CG ARG 124 13.730 50.041 13.686 1.00 0.00 ATOM 913 CD ARG 124 13.149 51.468 13.856 1.00 0.00 ATOM 914 NE ARG 124 14.009 52.316 14.692 1.00 0.00 ATOM 915 CZ ARG 124 13.941 52.353 16.024 1.00 0.00 ATOM 916 NH1 ARG 124 13.046 51.629 16.673 1.00 0.00 ATOM 917 NH2 ARG 124 14.730 53.156 16.713 1.00 0.00 ATOM 918 O ARG 124 10.968 46.520 13.374 1.00 0.00 ATOM 919 C ARG 124 11.864 46.796 12.548 1.00 0.00 ATOM 920 N HIS 125 11.814 46.370 11.288 1.00 0.00 ATOM 921 CA HIS 125 10.743 45.451 10.868 1.00 0.00 ATOM 922 CB HIS 125 10.734 45.223 9.361 1.00 0.00 ATOM 923 CG HIS 125 9.520 44.481 8.890 1.00 0.00 ATOM 924 CD2 HIS 125 9.387 43.262 8.330 1.00 0.00 ATOM 925 ND1 HIS 125 8.243 44.989 9.025 1.00 0.00 ATOM 926 CE1 HIS 125 7.385 44.114 8.540 1.00 0.00 ATOM 927 NE2 HIS 125 8.050 43.057 8.113 1.00 0.00 ATOM 928 O HIS 125 9.935 43.502 12.051 1.00 0.00 ATOM 929 C HIS 125 10.899 44.092 11.584 1.00 0.00 ATOM 930 N LYS 126 12.127 43.613 11.701 1.00 0.00 ATOM 931 CA LYS 126 12.341 42.409 12.495 1.00 0.00 ATOM 932 CB LYS 126 13.852 42.103 12.547 1.00 0.00 ATOM 933 CG LYS 126 14.470 41.600 11.254 1.00 0.00 ATOM 934 CD LYS 126 16.020 41.412 11.379 1.00 0.00 ATOM 935 CE LYS 126 16.646 40.990 10.080 1.00 0.00 ATOM 936 NZ LYS 126 18.159 40.771 10.267 1.00 0.00 ATOM 937 O LYS 126 11.303 41.600 14.553 1.00 0.00 ATOM 938 C LYS 126 11.804 42.555 13.963 1.00 0.00 ATOM 939 N LEU 127 12.013 43.722 14.574 1.00 0.00 ATOM 940 CA LEU 127 11.640 43.972 15.969 1.00 0.00 ATOM 941 CB LEU 127 12.346 45.237 16.499 1.00 0.00 ATOM 942 CG LEU 127 13.885 45.264 16.584 1.00 0.00 ATOM 943 CD1 LEU 127 14.231 46.682 16.924 1.00 0.00 ATOM 944 CD2 LEU 127 14.390 44.336 17.610 1.00 0.00 ATOM 945 O LEU 127 9.493 43.741 17.054 1.00 0.00 ATOM 946 C LEU 127 10.122 44.153 16.075 1.00 0.00 ATOM 947 N LYS 128 9.530 44.728 15.038 1.00 0.00 ATOM 948 CA LYS 128 8.066 44.970 15.001 1.00 0.00 ATOM 949 CB LYS 128 7.728 45.842 13.784 1.00 0.00 ATOM 950 CG LYS 128 7.878 47.352 13.978 1.00 0.00 ATOM 951 CD LYS 128 7.272 48.138 12.808 1.00 0.00 ATOM 952 CE LYS 128 7.813 49.599 12.735 1.00 0.00 ATOM 953 NZ LYS 128 6.808 50.636 13.169 1.00 0.00 ATOM 954 O LYS 128 6.030 43.639 15.438 1.00 0.00 ATOM 955 C LYS 128 7.203 43.703 14.913 1.00 0.00 ATOM 956 N LEU 129 7.698 42.716 14.180 1.00 0.00 ATOM 957 CA LEU 129 6.952 41.449 14.030 1.00 0.00 ATOM 958 CB LEU 129 7.667 40.482 13.081 1.00 0.00 ATOM 959 CG LEU 129 7.610 40.936 11.628 1.00 0.00 ATOM 960 CD1 LEU 129 8.514 40.144 10.746 1.00 0.00 ATOM 961 CD2 LEU 129 6.176 40.854 11.101 1.00 0.00 ATOM 962 O LEU 129 5.461 40.684 15.696 1.00 0.00 ATOM 963 C LEU 129 6.614 40.845 15.390 1.00 0.00 ATOM 964 N PRO 130 7.611 40.582 16.249 1.00 0.00 ATOM 965 CA PRO 130 7.286 40.159 17.617 1.00 0.00 ATOM 966 CB PRO 130 8.578 39.460 18.061 1.00 0.00 ATOM 967 CG PRO 130 9.610 40.196 17.366 1.00 0.00 ATOM 968 CD PRO 130 9.058 40.582 16.031 1.00 0.00 ATOM 969 O PRO 130 6.658 41.002 19.792 1.00 0.00 ATOM 970 C PRO 130 6.892 41.277 18.616 1.00 0.00 ATOM 971 N GLY 131 6.790 42.519 18.165 1.00 0.00 ATOM 972 CA GLY 131 6.264 43.589 19.010 1.00 0.00 ATOM 973 O GLY 131 6.730 44.363 21.223 1.00 0.00 ATOM 974 C GLY 131 7.190 44.098 20.094 1.00 0.00 ATOM 975 N ILE 132 8.484 44.214 19.766 1.00 0.00 ATOM 976 CA ILE 132 9.449 44.793 20.683 1.00 0.00 ATOM 977 CB ILE 132 10.520 43.759 21.184 1.00 0.00 ATOM 978 CG1 ILE 132 11.296 43.163 20.026 1.00 0.00 ATOM 979 CG2 ILE 132 9.865 42.637 21.984 1.00 0.00 ATOM 980 CD1 ILE 132 12.559 42.538 20.474 1.00 0.00 ATOM 981 O ILE 132 11.202 46.419 20.622 1.00 0.00 ATOM 982 C ILE 132 10.182 46.007 20.095 1.00 0.00 ATOM 983 N ASP 133 9.679 46.567 19.003 1.00 0.00 ATOM 984 CA ASP 133 10.303 47.765 18.401 1.00 0.00 ATOM 985 CB ASP 133 9.749 47.977 16.986 1.00 0.00 ATOM 986 CG ASP 133 10.288 49.235 16.310 1.00 0.00 ATOM 987 OD1 ASP 133 11.497 49.286 16.038 1.00 0.00 ATOM 988 OD2 ASP 133 9.506 50.168 16.040 1.00 0.00 ATOM 989 O ASP 133 10.928 49.896 19.358 1.00 0.00 ATOM 990 C ASP 133 10.068 48.999 19.270 1.00 0.00 ATOM 991 N HIS 134 8.878 49.057 19.877 1.00 0.00 ATOM 992 CA HIS 134 8.417 50.197 20.684 1.00 0.00 ATOM 993 CB HIS 134 6.973 49.933 21.160 1.00 0.00 ATOM 994 CG HIS 134 6.865 48.808 22.139 1.00 0.00 ATOM 995 CD2 HIS 134 6.640 47.482 21.961 1.00 0.00 ATOM 996 ND1 HIS 134 7.073 48.985 23.488 1.00 0.00 ATOM 997 CE1 HIS 134 6.976 47.819 24.102 1.00 0.00 ATOM 998 NE2 HIS 134 6.735 46.888 23.194 1.00 0.00 ATOM 999 O HIS 134 9.445 51.702 22.313 1.00 0.00 ATOM 1000 C HIS 134 9.387 50.546 21.852 1.00 0.00 ATOM 1001 N TYR 135 10.199 49.589 22.283 1.00 0.00 ATOM 1002 CA TYR 135 11.165 49.840 23.346 1.00 0.00 ATOM 1003 CB TYR 135 11.790 48.525 23.834 1.00 0.00 ATOM 1004 CG TYR 135 10.849 47.593 24.517 1.00 0.00 ATOM 1005 CD1 TYR 135 10.372 47.862 25.802 1.00 0.00 ATOM 1006 CD2 TYR 135 10.416 46.427 23.882 1.00 0.00 ATOM 1007 CE1 TYR 135 9.485 46.992 26.418 1.00 0.00 ATOM 1008 CE2 TYR 135 9.549 45.561 24.497 1.00 0.00 ATOM 1009 CZ TYR 135 9.091 45.836 25.752 1.00 0.00 ATOM 1010 OH TYR 135 8.203 44.955 26.324 1.00 0.00 ATOM 1011 O TYR 135 13.049 51.278 23.804 1.00 0.00 ATOM 1012 C TYR 135 12.337 50.761 22.941 1.00 0.00 ATOM 1013 N PHE 136 12.573 50.933 21.652 1.00 0.00 ATOM 1014 CA PHE 136 13.815 51.552 21.183 1.00 0.00 ATOM 1015 CB PHE 136 14.538 50.585 20.273 1.00 0.00 ATOM 1016 CG PHE 136 14.913 49.300 20.946 1.00 0.00 ATOM 1017 CD1 PHE 136 16.016 49.244 21.787 1.00 0.00 ATOM 1018 CD2 PHE 136 14.162 48.149 20.742 1.00 0.00 ATOM 1019 CE1 PHE 136 16.368 48.061 22.410 1.00 0.00 ATOM 1020 CE2 PHE 136 14.497 46.959 21.359 1.00 0.00 ATOM 1021 CZ PHE 136 15.622 46.909 22.192 1.00 0.00 ATOM 1022 O PHE 136 13.274 52.932 19.264 1.00 0.00 ATOM 1023 C PHE 136 13.584 52.900 20.456 1.00 0.00 ATOM 1024 N PRO 137 13.749 54.022 21.176 1.00 0.00 ATOM 1025 CA PRO 137 13.466 55.328 20.606 1.00 0.00 ATOM 1026 CB PRO 137 13.414 56.230 21.858 1.00 0.00 ATOM 1027 CG PRO 137 14.364 55.600 22.788 1.00 0.00 ATOM 1028 CD PRO 137 14.243 54.123 22.558 1.00 0.00 ATOM 1029 O PRO 137 14.202 56.794 18.884 1.00 0.00 ATOM 1030 C PRO 137 14.491 55.839 19.586 1.00 0.00 ATOM 1031 N PHE 138 15.689 55.237 19.516 1.00 0.00 ATOM 1032 CA PHE 138 16.711 55.688 18.584 1.00 0.00 ATOM 1033 CB PHE 138 17.431 56.955 19.116 1.00 0.00 ATOM 1034 CG PHE 138 18.502 56.661 20.121 1.00 0.00 ATOM 1035 CD1 PHE 138 18.178 56.183 21.359 1.00 0.00 ATOM 1036 CD2 PHE 138 19.843 56.802 19.801 1.00 0.00 ATOM 1037 CE1 PHE 138 19.151 55.868 22.280 1.00 0.00 ATOM 1038 CE2 PHE 138 20.820 56.482 20.724 1.00 0.00 ATOM 1039 CZ PHE 138 20.486 56.029 21.945 1.00 0.00 ATOM 1040 O PHE 138 17.652 53.572 19.127 1.00 0.00 ATOM 1041 C PHE 138 17.723 54.582 18.417 1.00 0.00 ATOM 1042 N GLY 139 18.714 54.768 17.538 1.00 0.00 ATOM 1043 CA GLY 139 19.833 53.835 17.487 1.00 0.00 ATOM 1044 O GLY 139 20.822 55.402 15.987 1.00 0.00 ATOM 1045 C GLY 139 20.902 54.282 16.508 1.00 0.00 ATOM 1046 N ALA 140 21.956 53.471 16.332 1.00 0.00 ATOM 1047 CA ALA 140 22.823 53.599 15.212 1.00 0.00 ATOM 1048 CB ALA 140 24.258 53.847 15.655 1.00 0.00 ATOM 1049 O ALA 140 22.612 51.193 14.974 1.00 0.00 ATOM 1050 C ALA 140 22.713 52.307 14.397 1.00 0.00 ATOM 1051 N PHE 141 22.720 52.465 13.066 1.00 0.00 ATOM 1052 CA PHE 141 22.364 51.409 12.106 1.00 0.00 ATOM 1053 CB PHE 141 20.940 51.635 11.603 1.00 0.00 ATOM 1054 CG PHE 141 19.923 51.873 12.687 1.00 0.00 ATOM 1055 CD1 PHE 141 19.225 50.815 13.237 1.00 0.00 ATOM 1056 CD2 PHE 141 19.628 53.168 13.125 1.00 0.00 ATOM 1057 CE1 PHE 141 18.255 51.040 14.251 1.00 0.00 ATOM 1058 CE2 PHE 141 18.642 53.394 14.134 1.00 0.00 ATOM 1059 CZ PHE 141 17.995 52.319 14.695 1.00 0.00 ATOM 1060 O PHE 141 24.228 52.173 10.732 1.00 0.00 ATOM 1061 C PHE 141 23.305 51.338 10.901 1.00 0.00 ATOM 1062 N ALA 142 23.072 50.357 10.022 1.00 0.00 ATOM 1063 CA ALA 142 23.883 50.219 8.794 1.00 0.00 ATOM 1064 CB ALA 142 23.619 48.900 8.085 1.00 0.00 ATOM 1065 O ALA 142 24.491 51.574 6.903 1.00 0.00 ATOM 1066 C ALA 142 23.691 51.383 7.821 1.00 0.00 ATOM 1067 N ASP 143 22.643 52.167 8.010 1.00 0.00 ATOM 1068 CA ASP 143 22.526 53.414 7.250 1.00 0.00 ATOM 1069 CB ASP 143 21.188 54.055 7.507 1.00 0.00 ATOM 1070 CG ASP 143 20.074 53.038 7.527 1.00 0.00 ATOM 1071 OD1 ASP 143 19.977 52.349 8.548 1.00 0.00 ATOM 1072 OD2 ASP 143 19.309 52.911 6.546 1.00 0.00 ATOM 1073 O ASP 143 23.960 55.274 6.762 1.00 0.00 ATOM 1074 C ASP 143 23.652 54.393 7.563 1.00 0.00 ATOM 1075 N ASP 144 24.279 54.220 8.715 1.00 0.00 ATOM 1076 CA ASP 144 25.225 55.208 9.240 1.00 0.00 ATOM 1077 CB ASP 144 25.042 55.322 10.752 1.00 0.00 ATOM 1078 CG ASP 144 23.648 55.780 11.141 1.00 0.00 ATOM 1079 OD1 ASP 144 23.154 56.731 10.513 1.00 0.00 ATOM 1080 OD2 ASP 144 23.041 55.203 12.076 1.00 0.00 ATOM 1081 O ASP 144 27.509 55.852 8.983 1.00 0.00 ATOM 1082 C ASP 144 26.687 54.931 8.941 1.00 0.00 ATOM 1083 N ALA 145 27.022 53.673 8.671 1.00 0.00 ATOM 1084 CA ALA 145 28.403 53.298 8.390 1.00 0.00 ATOM 1085 CB ALA 145 29.241 53.421 9.650 1.00 0.00 ATOM 1086 O ALA 145 27.697 51.044 8.060 1.00 0.00 ATOM 1087 C ALA 145 28.543 51.889 7.843 1.00 0.00 ATOM 1088 N LEU 146 29.673 51.644 7.174 1.00 0.00 ATOM 1089 CA LEU 146 30.037 50.304 6.725 1.00 0.00 ATOM 1090 CB LEU 146 30.874 50.373 5.429 1.00 0.00 ATOM 1091 CG LEU 146 30.227 50.975 4.167 1.00 0.00 ATOM 1092 CD1 LEU 146 31.291 51.168 3.080 1.00 0.00 ATOM 1093 CD2 LEU 146 29.094 50.130 3.629 1.00 0.00 ATOM 1094 O LEU 146 30.889 48.363 7.824 1.00 0.00 ATOM 1095 C LEU 146 30.841 49.579 7.810 1.00 0.00 ATOM 1096 N ASP 147 31.465 50.344 8.714 1.00 0.00 ATOM 1097 CA ASP 147 32.306 49.802 9.784 1.00 0.00 ATOM 1098 CB ASP 147 33.607 50.575 9.810 1.00 0.00 ATOM 1099 CG ASP 147 34.528 50.152 10.948 1.00 0.00 ATOM 1100 OD1 ASP 147 34.163 49.241 11.726 1.00 0.00 ATOM 1101 OD2 ASP 147 35.640 50.729 11.030 1.00 0.00 ATOM 1102 O ASP 147 31.259 51.067 11.546 1.00 0.00 ATOM 1103 C ASP 147 31.615 49.940 11.138 1.00 0.00 ATOM 1104 N ARG 148 31.434 48.807 11.824 1.00 0.00 ATOM 1105 CA ARG 148 30.640 48.746 13.080 1.00 0.00 ATOM 1106 CB ARG 148 30.538 47.317 13.663 1.00 0.00 ATOM 1107 CG ARG 148 29.377 47.177 14.669 1.00 0.00 ATOM 1108 CD ARG 148 29.319 45.849 15.392 1.00 0.00 ATOM 1109 NE ARG 148 28.087 45.850 16.152 1.00 0.00 ATOM 1110 CZ ARG 148 26.986 45.254 15.758 1.00 0.00 ATOM 1111 NH1 ARG 148 26.983 44.525 14.653 1.00 0.00 ATOM 1112 NH2 ARG 148 25.890 45.344 16.497 1.00 0.00 ATOM 1113 O ARG 148 30.575 50.193 14.997 1.00 0.00 ATOM 1114 C ARG 148 31.253 49.671 14.126 1.00 0.00 ATOM 1115 N ASN 149 32.559 49.870 14.014 1.00 0.00 ATOM 1116 CA ASN 149 33.316 50.690 14.980 1.00 0.00 ATOM 1117 CB ASN 149 34.802 50.379 14.867 1.00 0.00 ATOM 1118 CG ASN 149 35.123 48.972 15.323 1.00 0.00 ATOM 1119 ND2 ASN 149 36.285 48.480 14.922 1.00 0.00 ATOM 1120 OD1 ASN 149 34.331 48.332 16.027 1.00 0.00 ATOM 1121 O ASN 149 33.524 52.899 15.831 1.00 0.00 ATOM 1122 C ASN 149 33.093 52.190 14.919 1.00 0.00 ATOM 1123 N GLU 150 32.413 52.666 13.876 1.00 0.00 ATOM 1124 CA GLU 150 31.913 54.047 13.824 1.00 0.00 ATOM 1125 CB GLU 150 31.709 54.471 12.366 1.00 0.00 ATOM 1126 CG GLU 150 33.012 54.454 11.552 1.00 0.00 ATOM 1127 CD GLU 150 32.815 54.847 10.092 1.00 0.00 ATOM 1128 OE1 GLU 150 31.920 55.697 9.792 1.00 0.00 ATOM 1129 OE2 GLU 150 33.566 54.295 9.237 1.00 0.00 ATOM 1130 O GLU 150 30.323 55.337 15.090 1.00 0.00 ATOM 1131 C GLU 150 30.600 54.237 14.604 1.00 0.00 ATOM 1132 N LEU 151 29.816 53.167 14.748 1.00 0.00 ATOM 1133 CA LEU 151 28.471 53.250 15.351 1.00 0.00 ATOM 1134 CB LEU 151 27.747 51.917 15.186 1.00 0.00 ATOM 1135 CG LEU 151 27.341 51.443 13.780 1.00 0.00 ATOM 1136 CD1 LEU 151 26.182 50.457 13.872 1.00 0.00 ATOM 1137 CD2 LEU 151 27.019 52.578 12.839 1.00 0.00 ATOM 1138 O LEU 151 27.424 54.476 17.130 1.00 0.00 ATOM 1139 C LEU 151 28.342 53.723 16.818 1.00 0.00 ATOM 1140 N PRO 152 29.233 53.282 17.727 1.00 0.00 ATOM 1141 CA PRO 152 29.129 53.705 19.128 1.00 0.00 ATOM 1142 CB PRO 152 30.364 53.074 19.782 1.00 0.00 ATOM 1143 CG PRO 152 30.763 52.014 18.890 1.00 0.00 ATOM 1144 CD PRO 152 30.392 52.408 17.516 1.00 0.00 ATOM 1145 O PRO 152 28.492 55.805 20.043 1.00 0.00 ATOM 1146 C PRO 152 29.206 55.227 19.269 1.00 0.00 ATOM 1147 N HIS 153 30.107 55.850 18.523 1.00 0.00 ATOM 1148 CA HIS 153 30.255 57.295 18.554 1.00 0.00 ATOM 1149 CB HIS 153 31.387 57.723 17.658 1.00 0.00 ATOM 1150 CG HIS 153 32.698 57.116 18.014 1.00 0.00 ATOM 1151 CD2 HIS 153 33.445 56.178 17.382 1.00 0.00 ATOM 1152 ND1 HIS 153 33.405 57.477 19.140 1.00 0.00 ATOM 1153 CE1 HIS 153 34.533 56.794 19.186 1.00 0.00 ATOM 1154 NE2 HIS 153 34.592 56.008 18.122 1.00 0.00 ATOM 1155 O HIS 153 28.497 58.853 18.813 1.00 0.00 ATOM 1156 C HIS 153 28.982 57.975 18.129 1.00 0.00 ATOM 1157 N ILE 154 28.425 57.515 17.020 1.00 0.00 ATOM 1158 CA ILE 154 27.182 58.040 16.476 1.00 0.00 ATOM 1159 CB ILE 154 26.844 57.347 15.121 1.00 0.00 ATOM 1160 CG1 ILE 154 27.831 57.790 14.046 1.00 0.00 ATOM 1161 CG2 ILE 154 25.344 57.580 14.703 1.00 0.00 ATOM 1162 CD1 ILE 154 27.696 57.040 12.730 1.00 0.00 ATOM 1163 O ILE 154 25.279 58.832 17.708 1.00 0.00 ATOM 1164 C ILE 154 26.015 57.883 17.460 1.00 0.00 ATOM 1165 N ALA 155 25.850 56.682 18.016 1.00 0.00 ATOM 1166 CA ALA 155 24.845 56.450 19.048 1.00 0.00 ATOM 1167 CB ALA 155 24.795 54.989 19.434 1.00 0.00 ATOM 1168 O ALA 155 24.138 57.828 20.816 1.00 0.00 ATOM 1169 C ALA 155 25.079 57.306 20.282 1.00 0.00 ATOM 1170 N LEU 156 26.325 57.452 20.744 1.00 0.00 ATOM 1171 CA LEU 156 26.581 58.304 21.915 1.00 0.00 ATOM 1172 CB LEU 156 28.053 58.218 22.316 1.00 0.00 ATOM 1173 CG LEU 156 28.429 59.066 23.524 1.00 0.00 ATOM 1174 CD1 LEU 156 27.600 58.718 24.745 1.00 0.00 ATOM 1175 CD2 LEU 156 29.897 58.881 23.798 1.00 0.00 ATOM 1176 O LEU 156 25.461 60.395 22.492 1.00 0.00 ATOM 1177 C LEU 156 26.152 59.776 21.669 1.00 0.00 ATOM 1178 N GLU 157 26.515 60.315 20.510 1.00 0.00 ATOM 1179 CA GLU 157 26.133 61.680 20.135 1.00 0.00 ATOM 1180 CB GLU 157 26.731 62.042 18.802 1.00 0.00 ATOM 1181 CG GLU 157 26.673 63.500 18.468 1.00 0.00 ATOM 1182 CD GLU 157 27.486 63.816 17.239 1.00 0.00 ATOM 1183 OE1 GLU 157 27.143 63.285 16.162 1.00 0.00 ATOM 1184 OE2 GLU 157 28.513 64.545 17.367 1.00 0.00 ATOM 1185 O GLU 157 24.095 62.846 20.605 1.00 0.00 ATOM 1186 C GLU 157 24.621 61.853 20.095 1.00 0.00 ATOM 1187 N ARG 158 23.939 60.896 19.489 1.00 0.00 ATOM 1188 CA ARG 158 22.476 60.936 19.414 1.00 0.00 ATOM 1189 CB ARG 158 21.943 59.810 18.506 1.00 0.00 ATOM 1190 CG ARG 158 22.257 60.054 17.044 1.00 0.00 ATOM 1191 CD ARG 158 21.768 58.921 16.117 1.00 0.00 ATOM 1192 NE ARG 158 22.185 59.223 14.750 1.00 0.00 ATOM 1193 CZ ARG 158 22.271 58.350 13.756 1.00 0.00 ATOM 1194 NH1 ARG 158 21.914 57.077 13.922 1.00 0.00 ATOM 1195 NH2 ARG 158 22.736 58.772 12.579 1.00 0.00 ATOM 1196 O ARG 158 20.846 61.550 21.052 1.00 0.00 ATOM 1197 C ARG 158 21.832 60.867 20.789 1.00 0.00 ATOM 1198 N ALA 159 22.355 60.018 21.661 1.00 0.00 ATOM 1199 CA ALA 159 21.781 59.866 23.001 1.00 0.00 ATOM 1200 CB ALA 159 22.471 58.714 23.726 1.00 0.00 ATOM 1201 O ALA 159 21.009 61.662 24.433 1.00 0.00 ATOM 1202 C ALA 159 21.936 61.186 23.787 1.00 0.00 ATOM 1203 N ARG 160 23.127 61.760 23.719 1.00 0.00 ATOM 1204 CA ARG 160 23.448 63.022 24.404 1.00 0.00 ATOM 1205 CB ARG 160 24.935 63.295 24.188 1.00 0.00 ATOM 1206 CG ARG 160 25.489 64.483 24.868 1.00 0.00 ATOM 1207 CD ARG 160 27.020 64.575 24.697 1.00 0.00 ATOM 1208 NE ARG 160 27.489 65.922 24.999 1.00 0.00 ATOM 1209 CZ ARG 160 28.755 66.261 25.246 1.00 0.00 ATOM 1210 NH1 ARG 160 29.726 65.358 25.201 1.00 0.00 ATOM 1211 NH2 ARG 160 29.051 67.528 25.540 1.00 0.00 ATOM 1212 O ARG 160 22.083 64.997 24.737 1.00 0.00 ATOM 1213 C ARG 160 22.546 64.193 23.928 1.00 0.00 ATOM 1214 N ARG 161 22.268 64.253 22.628 1.00 0.00 ATOM 1215 CA ARG 161 21.404 65.275 22.061 1.00 0.00 ATOM 1216 CB ARG 161 21.515 65.286 20.538 1.00 0.00 ATOM 1217 CG ARG 161 22.797 65.896 20.035 1.00 0.00 ATOM 1218 CD ARG 161 22.932 65.645 18.578 1.00 0.00 ATOM 1219 NE ARG 161 24.136 66.250 18.042 1.00 0.00 ATOM 1220 CZ ARG 161 24.620 66.015 16.824 1.00 0.00 ATOM 1221 NH1 ARG 161 24.028 65.174 15.984 1.00 0.00 ATOM 1222 NH2 ARG 161 25.704 66.639 16.443 1.00 0.00 ATOM 1223 O ARG 161 19.167 66.006 22.582 1.00 0.00 ATOM 1224 C ARG 161 19.947 65.062 22.494 1.00 0.00 ATOM 1225 N MET 162 19.596 63.821 22.795 1.00 0.00 ATOM 1226 CA MET 162 18.242 63.503 23.235 1.00 0.00 ATOM 1227 CB MET 162 17.949 62.022 23.023 1.00 0.00 ATOM 1228 CG MET 162 17.883 61.657 21.608 1.00 0.00 ATOM 1229 SD MET 162 17.630 59.749 21.429 1.00 0.00 ATOM 1230 CE MET 162 15.990 59.638 22.277 1.00 0.00 ATOM 1231 O MET 162 16.933 64.312 25.014 1.00 0.00 ATOM 1232 C MET 162 17.988 63.815 24.686 1.00 0.00 ATOM 1233 N THR 163 18.938 63.479 25.555 1.00 0.00 ATOM 1234 CA THR 163 18.727 63.573 26.992 1.00 0.00 ATOM 1235 CB THR 163 19.141 62.273 27.710 1.00 0.00 ATOM 1236 CG2 THR 163 18.379 61.061 27.202 1.00 0.00 ATOM 1237 OG1 THR 163 20.544 62.060 27.541 1.00 0.00 ATOM 1238 O THR 163 19.171 65.134 28.758 1.00 0.00 ATOM 1239 C THR 163 19.504 64.722 27.653 1.00 0.00 ATOM 1240 N GLY 164 20.543 65.225 26.991 1.00 0.00 ATOM 1241 CA GLY 164 21.479 66.148 27.624 1.00 0.00 ATOM 1242 O GLY 164 23.214 66.114 29.273 1.00 0.00 ATOM 1243 C GLY 164 22.425 65.464 28.592 1.00 0.00 ATOM 1244 N ALA 165 22.353 64.137 28.665 1.00 0.00 ATOM 1245 CA ALA 165 23.234 63.370 29.538 1.00 0.00 ATOM 1246 CB ALA 165 22.616 61.979 29.815 1.00 0.00 ATOM 1247 O ALA 165 24.690 62.825 27.742 1.00 0.00 ATOM 1248 C ALA 165 24.595 63.216 28.890 1.00 0.00 ATOM 1249 N ASN 166 25.653 63.479 29.638 1.00 0.00 ATOM 1250 CA ASN 166 27.004 63.241 29.150 1.00 0.00 ATOM 1251 CB ASN 166 27.931 64.389 29.584 1.00 0.00 ATOM 1252 CG ASN 166 29.333 64.285 28.977 1.00 0.00 ATOM 1253 ND2 ASN 166 30.327 64.029 29.835 1.00 0.00 ATOM 1254 OD1 ASN 166 29.520 64.441 27.762 1.00 0.00 ATOM 1255 O ASN 166 28.157 61.887 30.743 1.00 0.00 ATOM 1256 C ASN 166 27.468 61.913 29.722 1.00 0.00 ATOM 1257 N TYR 167 27.064 60.810 29.092 1.00 0.00 ATOM 1258 CA TYR 167 27.345 59.469 29.632 1.00 0.00 ATOM 1259 CB TYR 167 26.713 58.377 28.760 1.00 0.00 ATOM 1260 CG TYR 167 25.214 58.480 28.722 1.00 0.00 ATOM 1261 CD1 TYR 167 24.440 57.953 29.736 1.00 0.00 ATOM 1262 CD2 TYR 167 24.579 59.137 27.683 1.00 0.00 ATOM 1263 CE1 TYR 167 23.055 58.079 29.721 1.00 0.00 ATOM 1264 CE2 TYR 167 23.206 59.266 27.652 1.00 0.00 ATOM 1265 CZ TYR 167 22.449 58.737 28.662 1.00 0.00 ATOM 1266 OH TYR 167 21.076 58.869 28.602 1.00 0.00 ATOM 1267 O TYR 167 29.519 59.466 28.710 1.00 0.00 ATOM 1268 C TYR 167 28.829 59.248 29.700 1.00 0.00 ATOM 1269 N SER 168 29.323 58.834 30.864 1.00 0.00 ATOM 1270 CA SER 168 30.723 58.435 31.003 1.00 0.00 ATOM 1271 CB SER 168 31.196 58.637 32.442 1.00 0.00 ATOM 1272 OG SER 168 30.804 57.550 33.262 1.00 0.00 ATOM 1273 O SER 168 29.849 56.251 30.538 1.00 0.00 ATOM 1274 C SER 168 30.856 56.968 30.594 1.00 0.00 ATOM 1275 N PRO 169 32.084 56.502 30.334 1.00 0.00 ATOM 1276 CA PRO 169 32.287 55.126 29.879 1.00 0.00 ATOM 1277 CB PRO 169 33.812 54.968 29.939 1.00 0.00 ATOM 1278 CG PRO 169 34.324 56.343 29.715 1.00 0.00 ATOM 1279 CD PRO 169 33.374 57.213 30.469 1.00 0.00 ATOM 1280 O PRO 169 30.948 53.158 30.183 1.00 0.00 ATOM 1281 C PRO 169 31.582 54.061 30.736 1.00 0.00 ATOM 1282 N SER 170 31.634 54.191 32.064 1.00 0.00 ATOM 1283 CA SER 170 31.027 53.196 32.945 1.00 0.00 ATOM 1284 CB SER 170 31.457 53.393 34.389 1.00 0.00 ATOM 1285 OG SER 170 31.128 54.698 34.850 1.00 0.00 ATOM 1286 O SER 170 28.888 52.342 33.431 1.00 0.00 ATOM 1287 C SER 170 29.526 53.254 32.916 1.00 0.00 ATOM 1288 N GLN 171 28.981 54.337 32.366 1.00 0.00 ATOM 1289 CA GLN 171 27.519 54.486 32.183 1.00 0.00 ATOM 1290 CB GLN 171 27.125 55.956 32.378 1.00 0.00 ATOM 1291 CG GLN 171 27.222 56.435 33.797 1.00 0.00 ATOM 1292 CD GLN 171 27.046 57.946 33.921 1.00 0.00 ATOM 1293 OE1 GLN 171 27.322 58.703 32.996 1.00 0.00 ATOM 1294 NE2 GLN 171 26.602 58.384 35.082 1.00 0.00 ATOM 1295 O GLN 171 25.804 54.103 30.549 1.00 0.00 ATOM 1296 C GLN 171 26.986 54.001 30.822 1.00 0.00 ATOM 1297 N ILE 172 27.864 53.488 29.971 1.00 0.00 ATOM 1298 CA ILE 172 27.470 53.026 28.649 1.00 0.00 ATOM 1299 CB ILE 172 28.313 53.668 27.528 1.00 0.00 ATOM 1300 CG1 ILE 172 28.291 55.206 27.647 1.00 0.00 ATOM 1301 CG2 ILE 172 27.790 53.188 26.135 1.00 0.00 ATOM 1302 CD1 ILE 172 29.425 55.894 26.867 1.00 0.00 ATOM 1303 O ILE 172 28.696 50.975 28.866 1.00 0.00 ATOM 1304 C ILE 172 27.634 51.508 28.569 1.00 0.00 ATOM 1305 N VAL 173 26.565 50.836 28.165 1.00 0.00 ATOM 1306 CA VAL 173 26.536 49.374 28.095 1.00 0.00 ATOM 1307 CB VAL 173 25.535 48.784 29.125 1.00 0.00 ATOM 1308 CG1 VAL 173 25.485 47.272 29.037 1.00 0.00 ATOM 1309 CG2 VAL 173 25.911 49.217 30.525 1.00 0.00 ATOM 1310 O VAL 173 25.117 49.368 26.133 1.00 0.00 ATOM 1311 C VAL 173 26.158 48.954 26.674 1.00 0.00 ATOM 1312 N ILE 174 27.032 48.154 26.073 1.00 0.00 ATOM 1313 CA ILE 174 26.824 47.671 24.734 1.00 0.00 ATOM 1314 CB ILE 174 27.943 48.138 23.829 1.00 0.00 ATOM 1315 CG1 ILE 174 27.698 49.608 23.487 1.00 0.00 ATOM 1316 CG2 ILE 174 28.000 47.345 22.548 1.00 0.00 ATOM 1317 CD1 ILE 174 28.911 50.349 23.011 1.00 0.00 ATOM 1318 O ILE 174 27.576 45.447 25.179 1.00 0.00 ATOM 1319 C ILE 174 26.683 46.161 24.734 1.00 0.00 ATOM 1320 N ILE 175 25.546 45.689 24.225 1.00 0.00 ATOM 1321 CA ILE 175 25.170 44.280 24.335 1.00 0.00 ATOM 1322 CB ILE 175 23.830 44.135 25.099 1.00 0.00 ATOM 1323 CG1 ILE 175 23.961 44.735 26.501 1.00 0.00 ATOM 1324 CG2 ILE 175 23.387 42.674 25.173 1.00 0.00 ATOM 1325 CD1 ILE 175 22.629 45.100 27.160 1.00 0.00 ATOM 1326 O ILE 175 24.331 44.097 22.065 1.00 0.00 ATOM 1327 C ILE 175 25.060 43.608 22.959 1.00 0.00 ATOM 1328 N GLY 176 25.725 42.457 22.829 1.00 0.00 ATOM 1329 CA GLY 176 25.637 41.617 21.636 1.00 0.00 ATOM 1330 O GLY 176 26.683 39.826 22.822 1.00 0.00 ATOM 1331 C GLY 176 26.227 40.223 21.759 1.00 0.00 ATOM 1332 N ASP 177 26.263 39.508 20.632 1.00 0.00 ATOM 1333 CA ASP 177 26.559 38.071 20.573 1.00 0.00 ATOM 1334 CB ASP 177 25.358 37.337 19.967 1.00 0.00 ATOM 1335 CG ASP 177 25.177 37.641 18.460 1.00 0.00 ATOM 1336 OD1 ASP 177 24.987 38.841 18.148 1.00 0.00 ATOM 1337 OD2 ASP 177 25.210 36.681 17.620 1.00 0.00 ATOM 1338 O ASP 177 28.054 36.453 19.669 1.00 0.00 ATOM 1339 C ASP 177 27.825 37.657 19.817 1.00 0.00 ATOM 1340 N THR 178 28.633 38.628 19.347 1.00 0.00 ATOM 1341 CA THR 178 29.848 38.327 18.573 1.00 0.00 ATOM 1342 CB THR 178 29.671 38.579 17.041 1.00 0.00 ATOM 1343 CG2 THR 178 28.273 38.161 16.585 1.00 0.00 ATOM 1344 OG1 THR 178 29.904 39.975 16.747 1.00 0.00 ATOM 1345 O THR 178 30.912 40.138 19.736 1.00 0.00 ATOM 1346 C THR 178 31.031 39.159 18.993 1.00 0.00 ATOM 1347 N GLU 179 32.201 38.784 18.469 1.00 0.00 ATOM 1348 CA GLU 179 33.403 39.565 18.696 1.00 0.00 ATOM 1349 CB GLU 179 34.594 38.939 17.979 1.00 0.00 ATOM 1350 CG GLU 179 34.539 39.048 16.493 1.00 0.00 ATOM 1351 CD GLU 179 35.741 38.406 15.809 1.00 0.00 ATOM 1352 OE1 GLU 179 36.874 38.815 16.128 1.00 0.00 ATOM 1353 OE2 GLU 179 35.546 37.497 14.966 1.00 0.00 ATOM 1354 O GLU 179 33.900 41.904 18.754 1.00 0.00 ATOM 1355 C GLU 179 33.244 41.018 18.227 1.00 0.00 ATOM 1356 N HIS 180 32.370 41.255 17.245 1.00 0.00 ATOM 1357 CA HIS 180 32.221 42.598 16.677 1.00 0.00 ATOM 1358 CB HIS 180 31.500 42.524 15.340 1.00 0.00 ATOM 1359 CG HIS 180 32.148 41.582 14.379 1.00 0.00 ATOM 1360 CD2 HIS 180 31.684 40.477 13.760 1.00 0.00 ATOM 1361 ND1 HIS 180 33.478 41.699 14.016 1.00 0.00 ATOM 1362 CE1 HIS 180 33.783 40.729 13.174 1.00 0.00 ATOM 1363 NE2 HIS 180 32.708 39.982 12.990 1.00 0.00 ATOM 1364 O HIS 180 31.809 44.718 17.731 1.00 0.00 ATOM 1365 C HIS 180 31.505 43.529 17.651 1.00 0.00 ATOM 1366 N ASP 181 30.536 42.981 18.376 1.00 0.00 ATOM 1367 CA ASP 181 29.878 43.691 19.442 1.00 0.00 ATOM 1368 CB ASP 181 28.749 42.839 19.998 1.00 0.00 ATOM 1369 CG ASP 181 27.771 42.457 18.915 1.00 0.00 ATOM 1370 OD1 ASP 181 26.949 43.308 18.573 1.00 0.00 ATOM 1371 OD2 ASP 181 27.840 41.332 18.379 1.00 0.00 ATOM 1372 O ASP 181 30.968 45.226 20.949 1.00 0.00 ATOM 1373 C ASP 181 30.881 44.069 20.534 1.00 0.00 ATOM 1374 N ILE 182 31.652 43.099 20.961 1.00 0.00 ATOM 1375 CA ILE 182 32.573 43.340 22.035 1.00 0.00 ATOM 1376 CB ILE 182 33.316 42.027 22.436 1.00 0.00 ATOM 1377 CG1 ILE 182 32.330 41.016 23.021 1.00 0.00 ATOM 1378 CG2 ILE 182 34.377 42.326 23.478 1.00 0.00 ATOM 1379 CD1 ILE 182 32.844 39.602 23.084 1.00 0.00 ATOM 1380 O ILE 182 33.995 45.275 22.394 1.00 0.00 ATOM 1381 C ILE 182 33.587 44.402 21.607 1.00 0.00 ATOM 1382 N ARG 183 34.014 44.315 20.356 1.00 0.00 ATOM 1383 CA ARG 183 35.101 45.151 19.850 1.00 0.00 ATOM 1384 CB ARG 183 35.600 44.619 18.508 1.00 0.00 ATOM 1385 CG ARG 183 36.457 45.625 17.725 1.00 0.00 ATOM 1386 CD ARG 183 37.225 44.996 16.579 1.00 0.00 ATOM 1387 NE ARG 183 37.593 43.625 16.900 1.00 0.00 ATOM 1388 CZ ARG 183 37.085 42.540 16.317 1.00 0.00 ATOM 1389 NH1 ARG 183 36.211 42.620 15.301 1.00 0.00 ATOM 1390 NH2 ARG 183 37.477 41.361 16.751 1.00 0.00 ATOM 1391 O ARG 183 35.286 47.528 19.996 1.00 0.00 ATOM 1392 C ARG 183 34.605 46.581 19.684 1.00 0.00 ATOM 1393 N CYS 184 33.379 46.742 19.212 1.00 0.00 ATOM 1394 CA CYS 184 32.914 48.133 18.975 1.00 0.00 ATOM 1395 CB CYS 184 31.711 48.186 18.050 1.00 0.00 ATOM 1396 SG CYS 184 30.180 47.875 18.817 1.00 0.00 ATOM 1397 O CYS 184 32.880 50.129 20.335 1.00 0.00 ATOM 1398 C CYS 184 32.728 48.909 20.301 1.00 0.00 ATOM 1399 N ALA 185 32.477 48.191 21.394 1.00 0.00 ATOM 1400 CA ALA 185 32.358 48.802 22.717 1.00 0.00 ATOM 1401 CB ALA 185 31.910 47.778 23.729 1.00 0.00 ATOM 1402 O ALA 185 33.642 50.442 23.913 1.00 0.00 ATOM 1403 C ALA 185 33.655 49.456 23.177 1.00 0.00 ATOM 1404 N ARG 186 34.784 48.916 22.742 1.00 0.00 ATOM 1405 CA ARG 186 36.078 49.453 23.130 1.00 0.00 ATOM 1406 CB ARG 186 37.219 48.578 22.597 1.00 0.00 ATOM 1407 CG ARG 186 37.152 47.081 22.994 1.00 0.00 ATOM 1408 CD ARG 186 38.358 46.298 22.428 1.00 0.00 ATOM 1409 NE ARG 186 38.156 44.840 22.541 1.00 0.00 ATOM 1410 CZ ARG 186 38.557 43.924 21.650 1.00 0.00 ATOM 1411 NH1 ARG 186 39.222 44.251 20.532 1.00 0.00 ATOM 1412 NH2 ARG 186 38.309 42.646 21.899 1.00 0.00 ATOM 1413 O ARG 186 37.031 51.659 23.201 1.00 0.00 ATOM 1414 C ARG 186 36.269 50.887 22.617 1.00 0.00 ATOM 1415 N GLU 187 35.555 51.248 21.549 1.00 0.00 ATOM 1416 CA GLU 187 35.584 52.614 21.008 1.00 0.00 ATOM 1417 CB GLU 187 34.600 52.748 19.853 1.00 0.00 ATOM 1418 CG GLU 187 35.026 51.962 18.638 1.00 0.00 ATOM 1419 CD GLU 187 36.288 52.532 18.013 1.00 0.00 ATOM 1420 OE1 GLU 187 36.370 53.768 17.827 1.00 0.00 ATOM 1421 OE2 GLU 187 37.212 51.754 17.701 1.00 0.00 ATOM 1422 O GLU 187 35.847 54.764 21.999 1.00 0.00 ATOM 1423 C GLU 187 35.277 53.682 22.050 1.00 0.00 ATOM 1424 N LEU 188 34.399 53.367 22.998 1.00 0.00 ATOM 1425 CA LEU 188 34.003 54.337 24.009 1.00 0.00 ATOM 1426 CB LEU 188 32.490 54.394 24.057 1.00 0.00 ATOM 1427 CG LEU 188 31.729 54.750 22.778 1.00 0.00 ATOM 1428 CD1 LEU 188 30.258 54.745 23.138 1.00 0.00 ATOM 1429 CD2 LEU 188 32.160 56.098 22.210 1.00 0.00 ATOM 1430 O LEU 188 34.081 54.601 26.373 1.00 0.00 ATOM 1431 C LEU 188 34.496 53.968 25.394 1.00 0.00 ATOM 1432 N ASP 189 35.379 52.963 25.463 1.00 0.00 ATOM 1433 CA ASP 189 35.715 52.269 26.719 1.00 0.00 ATOM 1434 CB ASP 189 36.651 53.109 27.597 1.00 0.00 ATOM 1435 CG ASP 189 37.238 52.315 28.777 1.00 0.00 ATOM 1436 OD1 ASP 189 37.267 51.070 28.716 1.00 0.00 ATOM 1437 OD2 ASP 189 37.678 52.944 29.766 1.00 0.00 ATOM 1438 O ASP 189 34.363 51.981 28.705 1.00 0.00 ATOM 1439 C ASP 189 34.435 51.895 27.476 1.00 0.00 ATOM 1440 N ALA 190 33.425 51.452 26.735 1.00 0.00 ATOM 1441 CA ALA 190 32.131 51.132 27.342 1.00 0.00 ATOM 1442 CB ALA 190 31.051 51.225 26.322 1.00 0.00 ATOM 1443 O ALA 190 33.074 48.965 27.776 1.00 0.00 ATOM 1444 C ALA 190 32.135 49.743 27.975 1.00 0.00 ATOM 1445 N ARG 191 31.099 49.453 28.762 1.00 0.00 ATOM 1446 CA ARG 191 30.953 48.129 29.355 1.00 0.00 ATOM 1447 CB ARG 191 30.105 48.203 30.640 1.00 0.00 ATOM 1448 CG ARG 191 30.784 48.980 31.766 1.00 0.00 ATOM 1449 CD ARG 191 30.104 48.815 33.117 1.00 0.00 ATOM 1450 NE ARG 191 28.881 49.615 33.224 1.00 0.00 ATOM 1451 CZ ARG 191 27.657 49.150 33.448 1.00 0.00 ATOM 1452 NH1 ARG 191 27.398 47.848 33.562 1.00 0.00 ATOM 1453 NH2 ARG 191 26.665 50.024 33.534 1.00 0.00 ATOM 1454 O ARG 191 29.139 47.461 27.931 1.00 0.00 ATOM 1455 C ARG 191 30.285 47.216 28.327 1.00 0.00 ATOM 1456 N SER 192 30.981 46.169 27.906 1.00 0.00 ATOM 1457 CA SER 192 30.444 45.201 26.972 1.00 0.00 ATOM 1458 CB SER 192 31.492 44.708 25.981 1.00 0.00 ATOM 1459 OG SER 192 32.590 44.161 26.654 1.00 0.00 ATOM 1460 O SER 192 30.447 43.559 28.704 1.00 0.00 ATOM 1461 C SER 192 29.846 44.052 27.749 1.00 0.00 ATOM 1462 N ILE 193 28.619 43.675 27.375 1.00 0.00 ATOM 1463 CA ILE 193 28.018 42.446 27.863 1.00 0.00 ATOM 1464 CB ILE 193 26.681 42.687 28.612 1.00 0.00 ATOM 1465 CG1 ILE 193 26.875 43.482 29.914 1.00 0.00 ATOM 1466 CG2 ILE 193 25.966 41.360 28.905 1.00 0.00 ATOM 1467 CD1 ILE 193 25.530 44.073 30.423 1.00 0.00 ATOM 1468 O ILE 193 27.021 41.938 25.747 1.00 0.00 ATOM 1469 C ILE 193 27.774 41.566 26.638 1.00 0.00 ATOM 1470 N ALA 194 28.424 40.416 26.591 1.00 0.00 ATOM 1471 CA ALA 194 28.276 39.480 25.484 1.00 0.00 ATOM 1472 CB ALA 194 29.591 38.893 25.125 1.00 0.00 ATOM 1473 O ALA 194 27.350 38.010 27.128 1.00 0.00 ATOM 1474 C ALA 194 27.328 38.395 25.941 1.00 0.00 ATOM 1475 N VAL 195 26.504 37.909 25.009 1.00 0.00 ATOM 1476 CA VAL 195 25.567 36.828 25.270 1.00 0.00 ATOM 1477 CB VAL 195 24.113 37.390 25.359 1.00 0.00 ATOM 1478 CG1 VAL 195 23.722 38.075 24.094 1.00 0.00 ATOM 1479 CG2 VAL 195 23.142 36.296 25.754 1.00 0.00 ATOM 1480 O VAL 195 25.814 36.059 23.003 1.00 0.00 ATOM 1481 C VAL 195 25.758 35.756 24.197 1.00 0.00 ATOM 1482 N ALA 196 25.923 34.498 24.624 1.00 0.00 ATOM 1483 CA ALA 196 26.340 33.414 23.719 1.00 0.00 ATOM 1484 CB ALA 196 27.248 32.425 24.458 1.00 0.00 ATOM 1485 O ALA 196 25.057 31.483 23.049 1.00 0.00 ATOM 1486 C ALA 196 25.130 32.720 23.110 1.00 0.00 ATOM 1487 N THR 197 24.187 33.535 22.639 1.00 0.00 ATOM 1488 CA THR 197 22.956 33.053 22.005 1.00 0.00 ATOM 1489 CB THR 197 21.720 33.812 22.526 1.00 0.00 ATOM 1490 CG2 THR 197 21.378 33.357 23.909 1.00 0.00 ATOM 1491 OG1 THR 197 21.974 35.214 22.556 1.00 0.00 ATOM 1492 O THR 197 22.014 32.928 19.787 1.00 0.00 ATOM 1493 C THR 197 23.008 33.146 20.468 1.00 0.00 ATOM 1494 N GLY 198 24.192 33.432 19.913 1.00 0.00 ATOM 1495 CA GLY 198 24.355 33.405 18.471 1.00 0.00 ATOM 1496 O GLY 198 25.036 31.102 18.682 1.00 0.00 ATOM 1497 C GLY 198 25.159 32.199 18.072 1.00 0.00 ATOM 1498 N ASN 199 26.031 32.393 17.095 1.00 0.00 ATOM 1499 CA ASN 199 26.822 31.298 16.583 1.00 0.00 ATOM 1500 CB ASN 199 26.999 31.460 15.066 1.00 0.00 ATOM 1501 CG ASN 199 25.671 31.438 14.343 1.00 0.00 ATOM 1502 ND2 ASN 199 25.558 32.218 13.294 1.00 0.00 ATOM 1503 OD1 ASN 199 24.743 30.755 14.765 1.00 0.00 ATOM 1504 O ASN 199 28.926 30.241 16.889 1.00 0.00 ATOM 1505 C ASN 199 28.157 31.088 17.297 1.00 0.00 ATOM 1506 N PHE 200 28.396 31.807 18.396 1.00 0.00 ATOM 1507 CA PHE 200 29.716 31.750 19.091 1.00 0.00 ATOM 1508 CB PHE 200 30.466 33.066 18.975 1.00 0.00 ATOM 1509 CG PHE 200 30.566 33.530 17.569 1.00 0.00 ATOM 1510 CD1 PHE 200 31.558 33.019 16.726 1.00 0.00 ATOM 1511 CD2 PHE 200 29.592 34.378 17.044 1.00 0.00 ATOM 1512 CE1 PHE 200 31.587 33.379 15.386 1.00 0.00 ATOM 1513 CE2 PHE 200 29.629 34.748 15.723 1.00 0.00 ATOM 1514 CZ PHE 200 30.612 34.247 14.886 1.00 0.00 ATOM 1515 O PHE 200 28.646 31.903 21.221 1.00 0.00 ATOM 1516 C PHE 200 29.509 31.359 20.536 1.00 0.00 ATOM 1517 N THR 201 30.274 30.378 20.971 1.00 0.00 ATOM 1518 CA THR 201 30.156 29.856 22.334 1.00 0.00 ATOM 1519 CB THR 201 30.873 28.518 22.445 1.00 0.00 ATOM 1520 CG2 THR 201 30.310 27.526 21.433 1.00 0.00 ATOM 1521 OG1 THR 201 32.275 28.715 22.193 1.00 0.00 ATOM 1522 O THR 201 31.540 31.738 22.970 1.00 0.00 ATOM 1523 C THR 201 30.789 30.835 23.349 1.00 0.00 ATOM 1524 N MET 202 30.520 30.613 24.641 1.00 0.00 ATOM 1525 CA MET 202 31.171 31.376 25.708 1.00 0.00 ATOM 1526 CB MET 202 30.664 30.918 27.081 1.00 0.00 ATOM 1527 CG MET 202 29.190 31.178 27.240 1.00 0.00 ATOM 1528 SD MET 202 28.593 30.886 29.064 1.00 0.00 ATOM 1529 CE MET 202 28.856 29.001 29.078 1.00 0.00 ATOM 1530 O MET 202 33.396 32.225 25.744 1.00 0.00 ATOM 1531 C MET 202 32.674 31.244 25.594 1.00 0.00 ATOM 1532 N GLU 203 33.153 30.034 25.324 1.00 0.00 ATOM 1533 CA GLU 203 34.600 29.832 25.180 1.00 0.00 ATOM 1534 CB GLU 203 34.952 28.371 24.914 1.00 0.00 ATOM 1535 CG GLU 203 35.049 27.564 26.187 1.00 0.00 ATOM 1536 CD GLU 203 35.709 26.198 25.995 1.00 0.00 ATOM 1537 OE1 GLU 203 36.267 25.944 24.882 1.00 0.00 ATOM 1538 OE2 GLU 203 35.633 25.405 26.972 1.00 0.00 ATOM 1539 O GLU 203 36.210 31.257 24.206 1.00 0.00 ATOM 1540 C GLU 203 35.158 30.682 24.063 1.00 0.00 ATOM 1541 N GLU 204 34.437 30.754 22.952 1.00 0.00 ATOM 1542 CA GLU 204 34.877 31.575 21.833 1.00 0.00 ATOM 1543 CB GLU 204 33.984 31.312 20.606 1.00 0.00 ATOM 1544 CG GLU 204 34.346 30.021 19.915 1.00 0.00 ATOM 1545 CD GLU 204 33.386 29.637 18.806 1.00 0.00 ATOM 1546 OE1 GLU 204 32.137 29.734 18.956 1.00 0.00 ATOM 1547 OE2 GLU 204 33.898 29.199 17.764 1.00 0.00 ATOM 1548 O GLU 204 35.834 33.787 21.993 1.00 0.00 ATOM 1549 C GLU 204 34.856 33.073 22.194 1.00 0.00 ATOM 1550 N LEU 205 33.734 33.527 22.737 1.00 0.00 ATOM 1551 CA LEU 205 33.553 34.934 23.091 1.00 0.00 ATOM 1552 CB LEU 205 32.107 35.202 23.480 1.00 0.00 ATOM 1553 CG LEU 205 31.161 35.128 22.290 1.00 0.00 ATOM 1554 CD1 LEU 205 29.760 35.227 22.818 1.00 0.00 ATOM 1555 CD2 LEU 205 31.426 36.216 21.243 1.00 0.00 ATOM 1556 O LEU 205 34.843 36.606 24.190 1.00 0.00 ATOM 1557 C LEU 205 34.492 35.438 24.173 1.00 0.00 ATOM 1558 N ALA 206 34.936 34.545 25.050 1.00 0.00 ATOM 1559 CA ALA 206 35.727 34.917 26.185 1.00 0.00 ATOM 1560 CB ALA 206 35.801 33.731 27.156 1.00 0.00 ATOM 1561 O ALA 206 37.781 36.169 26.500 1.00 0.00 ATOM 1562 C ALA 206 37.140 35.397 25.781 1.00 0.00 ATOM 1563 N ARG 207 37.619 34.942 24.631 1.00 0.00 ATOM 1564 CA ARG 207 38.923 35.346 24.124 1.00 0.00 ATOM 1565 CB ARG 207 39.325 34.471 22.936 1.00 0.00 ATOM 1566 CG ARG 207 39.353 32.999 23.263 1.00 0.00 ATOM 1567 CD ARG 207 39.760 32.150 22.074 1.00 0.00 ATOM 1568 NE ARG 207 39.425 30.737 22.335 1.00 0.00 ATOM 1569 CZ ARG 207 38.830 29.903 21.477 1.00 0.00 ATOM 1570 NH1 ARG 207 38.515 30.282 20.232 1.00 0.00 ATOM 1571 NH2 ARG 207 38.555 28.665 21.873 1.00 0.00 ATOM 1572 O ARG 207 40.075 37.360 23.497 1.00 0.00 ATOM 1573 C ARG 207 38.984 36.823 23.703 1.00 0.00 ATOM 1574 N HIS 208 37.819 37.461 23.569 1.00 0.00 ATOM 1575 CA HIS 208 37.724 38.861 23.199 1.00 0.00 ATOM 1576 CB HIS 208 36.587 39.028 22.204 1.00 0.00 ATOM 1577 CG HIS 208 36.702 38.080 21.055 1.00 0.00 ATOM 1578 CD2 HIS 208 35.921 37.051 20.658 1.00 0.00 ATOM 1579 ND1 HIS 208 37.788 38.087 20.211 1.00 0.00 ATOM 1580 CE1 HIS 208 37.651 37.128 19.313 1.00 0.00 ATOM 1581 NE2 HIS 208 36.536 36.475 19.569 1.00 0.00 ATOM 1582 O HIS 208 37.421 40.977 24.231 1.00 0.00 ATOM 1583 C HIS 208 37.531 39.773 24.391 1.00 0.00 ATOM 1584 N LYS 209 37.496 39.189 25.586 1.00 0.00 ATOM 1585 CA LYS 209 37.538 39.922 26.848 1.00 0.00 ATOM 1586 CB LYS 209 38.824 40.743 26.957 1.00 0.00 ATOM 1587 CG LYS 209 40.100 39.994 26.682 1.00 0.00 ATOM 1588 CD LYS 209 40.346 38.905 27.718 1.00 0.00 ATOM 1589 CE LYS 209 41.792 38.429 27.666 1.00 0.00 ATOM 1590 NZ LYS 209 42.143 38.019 26.266 1.00 0.00 ATOM 1591 O LYS 209 36.483 42.027 27.344 1.00 0.00 ATOM 1592 C LYS 209 36.336 40.831 27.049 1.00 0.00 ATOM 1593 N PRO 210 35.129 40.268 26.921 1.00 0.00 ATOM 1594 CA PRO 210 33.954 41.054 27.213 1.00 0.00 ATOM 1595 CB PRO 210 32.811 40.095 26.859 1.00 0.00 ATOM 1596 CG PRO 210 33.412 38.727 27.091 1.00 0.00 ATOM 1597 CD PRO 210 34.795 38.877 26.584 1.00 0.00 ATOM 1598 O PRO 210 34.481 40.637 29.492 1.00 0.00 ATOM 1599 C PRO 210 33.937 41.383 28.694 1.00 0.00 ATOM 1600 N GLY 211 33.303 42.482 29.076 1.00 0.00 ATOM 1601 CA GLY 211 33.251 42.852 30.478 1.00 0.00 ATOM 1602 O GLY 211 32.782 41.538 32.393 1.00 0.00 ATOM 1603 C GLY 211 32.447 41.856 31.266 1.00 0.00 ATOM 1604 N THR 212 31.354 41.385 30.676 1.00 0.00 ATOM 1605 CA THR 212 30.563 40.318 31.253 1.00 0.00 ATOM 1606 CB THR 212 29.342 40.928 31.946 1.00 0.00 ATOM 1607 CG2 THR 212 28.447 39.876 32.612 1.00 0.00 ATOM 1608 OG1 THR 212 29.824 41.839 32.937 1.00 0.00 ATOM 1609 O THR 212 30.031 39.873 28.972 1.00 0.00 ATOM 1610 C THR 212 30.145 39.407 30.122 1.00 0.00 ATOM 1611 N LEU 213 29.903 38.132 30.459 1.00 0.00 ATOM 1612 CA LEU 213 29.487 37.092 29.513 1.00 0.00 ATOM 1613 CB LEU 213 30.695 36.269 29.107 1.00 0.00 ATOM 1614 CG LEU 213 30.440 35.149 28.087 1.00 0.00 ATOM 1615 CD1 LEU 213 29.769 35.585 26.823 1.00 0.00 ATOM 1616 CD2 LEU 213 31.758 34.478 27.778 1.00 0.00 ATOM 1617 O LEU 213 28.524 35.516 31.110 1.00 0.00 ATOM 1618 C LEU 213 28.372 36.201 30.079 1.00 0.00 ATOM 1619 N PHE 214 27.243 36.235 29.396 1.00 0.00 ATOM 1620 CA PHE 214 26.074 35.445 29.708 1.00 0.00 ATOM 1621 CB PHE 214 24.814 36.318 29.619 1.00 0.00 ATOM 1622 CG PHE 214 24.573 37.170 30.835 1.00 0.00 ATOM 1623 CD1 PHE 214 25.197 38.400 30.968 1.00 0.00 ATOM 1624 CD2 PHE 214 23.701 36.759 31.826 1.00 0.00 ATOM 1625 CE1 PHE 214 24.981 39.189 32.097 1.00 0.00 ATOM 1626 CE2 PHE 214 23.476 37.534 32.955 1.00 0.00 ATOM 1627 CZ PHE 214 24.115 38.754 33.095 1.00 0.00 ATOM 1628 O PHE 214 26.181 34.425 27.568 1.00 0.00 ATOM 1629 C PHE 214 25.881 34.298 28.730 1.00 0.00 ATOM 1630 N LYS 215 25.284 33.216 29.203 1.00 0.00 ATOM 1631 CA LYS 215 24.848 32.153 28.323 1.00 0.00 ATOM 1632 CB LYS 215 24.596 30.876 29.132 1.00 0.00 ATOM 1633 CG LYS 215 24.284 29.604 28.306 1.00 0.00 ATOM 1634 CD LYS 215 25.431 29.245 27.338 1.00 0.00 ATOM 1635 CE LYS 215 25.440 27.769 26.950 1.00 0.00 ATOM 1636 NZ LYS 215 24.047 27.257 26.751 1.00 0.00 ATOM 1637 O LYS 215 23.477 32.411 26.372 1.00 0.00 ATOM 1638 C LYS 215 23.613 32.603 27.589 1.00 0.00 ATOM 1639 N ASN 216 22.696 33.191 28.342 1.00 0.00 ATOM 1640 CA ASN 216 21.450 33.686 27.793 1.00 0.00 ATOM 1641 CB ASN 216 20.508 32.508 27.527 1.00 0.00 ATOM 1642 CG ASN 216 20.277 31.652 28.764 1.00 0.00 ATOM 1643 ND2 ASN 216 20.564 30.359 28.656 1.00 0.00 ATOM 1644 OD1 ASN 216 19.842 32.149 29.793 1.00 0.00 ATOM 1645 O ASN 216 21.465 34.926 29.833 1.00 0.00 ATOM 1646 C ASN 216 20.853 34.677 28.797 1.00 0.00 ATOM 1647 N PHE 217 19.661 35.205 28.525 1.00 0.00 ATOM 1648 CA PHE 217 19.061 36.212 29.405 1.00 0.00 ATOM 1649 CB PHE 217 18.592 37.439 28.610 1.00 0.00 ATOM 1650 CG PHE 217 19.681 38.216 27.905 1.00 0.00 ATOM 1651 CD1 PHE 217 20.916 38.454 28.495 1.00 0.00 ATOM 1652 CD2 PHE 217 19.428 38.789 26.657 1.00 0.00 ATOM 1653 CE1 PHE 217 21.892 39.230 27.838 1.00 0.00 ATOM 1654 CE2 PHE 217 20.395 39.559 26.001 1.00 0.00 ATOM 1655 CZ PHE 217 21.630 39.769 26.602 1.00 0.00 ATOM 1656 O PHE 217 16.961 36.394 30.550 1.00 0.00 ATOM 1657 C PHE 217 17.870 35.651 30.200 1.00 0.00 ATOM 1658 N ALA 218 17.880 34.350 30.498 1.00 0.00 ATOM 1659 CA ALA 218 16.833 33.735 31.306 1.00 0.00 ATOM 1660 CB ALA 218 17.138 32.263 31.521 1.00 0.00 ATOM 1661 O ALA 218 15.450 34.545 33.064 1.00 0.00 ATOM 1662 C ALA 218 16.600 34.397 32.661 1.00 0.00 ATOM 1663 N GLU 219 17.667 34.785 33.361 1.00 0.00 ATOM 1664 CA GLU 219 17.533 35.345 34.731 1.00 0.00 ATOM 1665 CB GLU 219 18.687 34.883 35.610 1.00 0.00 ATOM 1666 CG GLU 219 18.988 33.396 35.575 1.00 0.00 ATOM 1667 CD GLU 219 17.824 32.492 36.026 1.00 0.00 ATOM 1668 OE1 GLU 219 16.969 32.919 36.845 1.00 0.00 ATOM 1669 OE2 GLU 219 17.784 31.325 35.568 1.00 0.00 ATOM 1670 O GLU 219 18.444 37.566 34.871 1.00 0.00 ATOM 1671 C GLU 219 17.454 36.871 34.705 1.00 0.00 ATOM 1672 N THR 220 16.248 37.395 34.502 1.00 0.00 ATOM 1673 CA THR 220 16.059 38.827 34.257 1.00 0.00 ATOM 1674 CB THR 220 14.562 39.138 34.178 1.00 0.00 ATOM 1675 CG2 THR 220 14.315 40.529 33.648 1.00 0.00 ATOM 1676 OG1 THR 220 13.974 38.189 33.294 1.00 0.00 ATOM 1677 O THR 220 17.484 40.602 34.972 1.00 0.00 ATOM 1678 C THR 220 16.730 39.704 35.308 1.00 0.00 ATOM 1679 N ASP 221 16.453 39.420 36.580 1.00 0.00 ATOM 1680 CA ASP 221 17.011 40.180 37.703 1.00 0.00 ATOM 1681 CB ASP 221 16.588 39.592 39.055 1.00 0.00 ATOM 1682 CG ASP 221 15.079 39.639 39.276 1.00 0.00 ATOM 1683 OD1 ASP 221 14.397 40.444 38.605 1.00 0.00 ATOM 1684 OD2 ASP 221 14.568 38.869 40.145 1.00 0.00 ATOM 1685 O ASP 221 19.078 41.322 37.914 1.00 0.00 ATOM 1686 C ASP 221 18.524 40.267 37.658 1.00 0.00 ATOM 1687 N GLU 222 19.190 39.164 37.344 1.00 0.00 ATOM 1688 CA GLU 222 20.650 39.165 37.259 1.00 0.00 ATOM 1689 CB GLU 222 21.185 37.738 37.286 1.00 0.00 ATOM 1690 CG GLU 222 20.811 37.004 38.549 1.00 0.00 ATOM 1691 CD GLU 222 21.316 37.695 39.778 1.00 0.00 ATOM 1692 OE1 GLU 222 22.420 38.295 39.715 1.00 0.00 ATOM 1693 OE2 GLU 222 20.625 37.615 40.818 1.00 0.00 ATOM 1694 O GLU 222 22.209 40.582 36.123 1.00 0.00 ATOM 1695 C GLU 222 21.179 39.915 36.043 1.00 0.00 ATOM 1696 N VAL 223 20.471 39.848 34.922 1.00 0.00 ATOM 1697 CA VAL 223 20.921 40.590 33.765 1.00 0.00 ATOM 1698 CB VAL 223 20.179 40.225 32.445 1.00 0.00 ATOM 1699 CG1 VAL 223 20.831 40.944 31.256 1.00 0.00 ATOM 1700 CG2 VAL 223 20.120 38.715 32.206 1.00 0.00 ATOM 1701 O VAL 223 21.641 42.873 33.776 1.00 0.00 ATOM 1702 C VAL 223 20.771 42.082 34.079 1.00 0.00 ATOM 1703 N LEU 224 19.650 42.471 34.667 1.00 0.00 ATOM 1704 CA LEU 224 19.425 43.858 35.038 1.00 0.00 ATOM 1705 CB LEU 224 18.038 43.976 35.678 1.00 0.00 ATOM 1706 CG LEU 224 17.523 45.386 35.953 1.00 0.00 ATOM 1707 CD1 LEU 224 17.220 46.129 34.643 1.00 0.00 ATOM 1708 CD2 LEU 224 16.297 45.311 36.833 1.00 0.00 ATOM 1709 O LEU 224 21.110 45.435 35.763 1.00 0.00 ATOM 1710 C LEU 224 20.525 44.369 35.984 1.00 0.00 ATOM 1711 N ALA 225 20.837 43.585 37.017 1.00 0.00 ATOM 1712 CA ALA 225 21.877 43.957 37.971 1.00 0.00 ATOM 1713 CB ALA 225 22.031 42.894 39.029 1.00 0.00 ATOM 1714 O ALA 225 23.957 45.078 37.573 1.00 0.00 ATOM 1715 C ALA 225 23.193 44.165 37.256 1.00 0.00 ATOM 1716 N SER 226 23.467 43.314 36.281 1.00 0.00 ATOM 1717 CA SER 226 24.718 43.405 35.588 1.00 0.00 ATOM 1718 CB SER 226 24.949 42.149 34.775 1.00 0.00 ATOM 1719 OG SER 226 26.081 42.331 33.987 1.00 0.00 ATOM 1720 O SER 226 25.780 45.286 34.569 1.00 0.00 ATOM 1721 C SER 226 24.747 44.650 34.700 1.00 0.00 ATOM 1722 N ILE 227 23.598 45.016 34.127 1.00 0.00 ATOM 1723 CA ILE 227 23.518 46.163 33.210 1.00 0.00 ATOM 1724 CB ILE 227 22.225 46.130 32.342 1.00 0.00 ATOM 1725 CG1 ILE 227 22.316 45.004 31.309 1.00 0.00 ATOM 1726 CG2 ILE 227 22.034 47.448 31.612 1.00 0.00 ATOM 1727 CD1 ILE 227 20.956 44.694 30.616 1.00 0.00 ATOM 1728 O ILE 227 24.345 48.357 33.553 1.00 0.00 ATOM 1729 C ILE 227 23.605 47.490 33.955 1.00 0.00 ATOM 1730 N LEU 228 22.878 47.630 35.055 1.00 0.00 ATOM 1731 CA LEU 228 22.857 48.899 35.803 1.00 0.00 ATOM 1732 CB LEU 228 21.646 48.939 36.735 1.00 0.00 ATOM 1733 CG LEU 228 20.328 48.798 35.979 1.00 0.00 ATOM 1734 CD1 LEU 228 19.200 48.606 36.966 1.00 0.00 ATOM 1735 CD2 LEU 228 20.059 49.980 35.079 1.00 0.00 ATOM 1736 O LEU 228 24.536 50.377 36.662 1.00 0.00 ATOM 1737 C LEU 228 24.134 49.214 36.589 1.00 0.00 ATOM 1738 N THR 229 24.778 48.180 37.135 1.00 0.00 ATOM 1739 CA THR 229 25.942 48.303 38.057 1.00 0.00 ATOM 1740 CB THR 229 26.029 47.037 38.954 1.00 0.00 ATOM 1741 CG2 THR 229 27.167 47.144 39.970 1.00 0.00 ATOM 1742 OG1 THR 229 24.779 46.852 39.643 1.00 0.00 ATOM 1743 O THR 229 27.996 49.535 37.583 1.00 0.00 ATOM 1744 C THR 229 27.309 48.518 37.360 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 T0330.undertaker-align.pdb looking for model 1 WARNING: atoms too close: (T0330)V56.C and (T0330)A65.C only 0.000 apart, marking (T0330)A65.C as missing WARNING: atoms too close: (T0330)L57.N and (T0330)E66.N only 0.000 apart, marking (T0330)L57.N as missing WARNING: atoms too close: (T0330)L57.CA and (T0330)E66.CA only 0.000 apart, marking (T0330)L57.CA as missing WARNING: atoms too close: (T0330)S106.C and (T0330)S108.C only 0.000 apart, marking (T0330)S108.C as missing WARNING: atoms too close: (T0330)R107.N and (T0330)D109.N only 0.000 apart, marking (T0330)R107.N as missing WARNING: atoms too close: (T0330)R107.CA and (T0330)D109.CA only 0.000 apart, marking (T0330)R107.CA as missing WARNING: atoms too close: (T0330)N149.C and (T0330)L151.C only 0.000 apart, marking (T0330)L151.C as missing WARNING: atoms too close: (T0330)E150.N and (T0330)P152.N only 0.000 apart, marking (T0330)E150.N as missing WARNING: atoms too close: (T0330)E150.CA and (T0330)P152.CA only 0.000 apart, marking (T0330)E150.CA as missing WARNING: atoms too close: (T0330)R161.C and (T0330)G164.C only 0.000 apart, marking (T0330)G164.C as missing WARNING: atoms too close: (T0330)M162.N and (T0330)A165.N only 0.000 apart, marking (T0330)M162.N as missing WARNING: atoms too close: (T0330)M162.CA and (T0330)A165.CA only 0.000 apart, marking (T0330)M162.CA as missing # WARNING: incomplete conformation T0330 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 = 0.884 # GDT_score = -53.333 # GDT_score(maxd=8.000,maxw=2.900)= -54.066 # GDT_score(maxd=8.000,maxw=3.200)= -51.254 # GDT_score(maxd=8.000,maxw=3.500)= -48.530 # GDT_score(maxd=10.000,maxw=3.800)= -51.913 # GDT_score(maxd=10.000,maxw=4.000)= -50.179 # GDT_score(maxd=10.000,maxw=4.200)= -48.483 # GDT_score(maxd=12.000,maxw=4.300)= -52.180 # GDT_score(maxd=12.000,maxw=4.500)= -50.496 # GDT_score(maxd=12.000,maxw=4.700)= -48.862 # GDT_score(maxd=14.000,maxw=5.200)= -48.449 # GDT_score(maxd=14.000,maxw=5.500)= -46.218 # command:# ReadConformPDB reading from PDB file T0330.undertaker-align.pdb looking for model 2 WARNING: atoms too close: (T0330)G61.C and (T0330)E63.C only 0.000 apart, marking (T0330)E63.C as missing WARNING: atoms too close: (T0330)L62.N and (T0330)R64.N only 0.000 apart, marking (T0330)L62.N as missing WARNING: atoms too close: (T0330)L62.CA and (T0330)R64.CA only 0.000 apart, marking (T0330)L62.CA as missing WARNING: atoms too close: (T0330)L104.C and (T0330)S108.C only 0.000 apart, marking (T0330)S108.C as missing WARNING: atoms too close: (T0330)S105.N and (T0330)D109.N only 0.000 apart, marking (T0330)S105.N as missing WARNING: atoms too close: (T0330)S105.CA and (T0330)D109.CA only 0.000 apart, marking (T0330)S105.CA as missing WARNING: atoms too close: (T0330)R161.C and (T0330)G164.C only 0.000 apart, marking (T0330)G164.C as missing WARNING: atoms too close: (T0330)M162.N and (T0330)A165.N only 0.000 apart, marking (T0330)M162.N as missing WARNING: atoms too close: (T0330)M162.CA and (T0330)A165.CA only 0.000 apart, marking (T0330)M162.CA as missing # WARNING: incomplete conformation T0330 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 = 0.907 # GDT_score = -50.444 # GDT_score(maxd=8.000,maxw=2.900)= -50.746 # GDT_score(maxd=8.000,maxw=3.200)= -48.107 # GDT_score(maxd=8.000,maxw=3.500)= -45.428 # GDT_score(maxd=10.000,maxw=3.800)= -48.905 # GDT_score(maxd=10.000,maxw=4.000)= -47.103 # GDT_score(maxd=10.000,maxw=4.200)= -45.338 # GDT_score(maxd=12.000,maxw=4.300)= -49.384 # GDT_score(maxd=12.000,maxw=4.500)= -47.623 # GDT_score(maxd=12.000,maxw=4.700)= -45.987 # GDT_score(maxd=14.000,maxw=5.200)= -45.895 # GDT_score(maxd=14.000,maxw=5.500)= -43.764 # command:# ReadConformPDB reading from PDB file T0330.undertaker-align.pdb looking for model 3 WARNING: atoms too close: (T0330)L29.C and (T0330)I30.C only 0.000 apart, marking (T0330)I30.C as missing WARNING: atoms too close: (T0330)I30.N and (T0330)E31.N only 0.000 apart, marking (T0330)I30.N as missing WARNING: atoms too close: (T0330)I30.CA and (T0330)E31.CA only 0.000 apart, marking (T0330)I30.CA as missing WARNING: atoms too close: (T0330)I67.C and (T0330)F71.C only 0.000 apart, marking (T0330)F71.C as missing WARNING: atoms too close: (T0330)A68.N and (T0330)D72.N only 0.000 apart, marking (T0330)A68.N as missing WARNING: atoms too close: (T0330)A68.CA and (T0330)D72.CA only 0.000 apart, marking (T0330)A68.CA as missing WARNING: atoms too close: (T0330)R87.C and (T0330)R88.C only 0.000 apart, marking (T0330)R88.C as missing WARNING: atoms too close: (T0330)R88.N and (T0330)E89.N only 0.000 apart, marking (T0330)R88.N as missing WARNING: atoms too close: (T0330)R88.CA and (T0330)E89.CA only 0.000 apart, marking (T0330)R88.CA as missing WARNING: atoms too close: (T0330)M162.C and (T0330)A165.C only 0.000 apart, marking (T0330)A165.C as missing WARNING: atoms too close: (T0330)T163.N and (T0330)N166.N only 0.000 apart, marking (T0330)T163.N as missing WARNING: atoms too close: (T0330)T163.CA and (T0330)N166.CA only 0.000 apart, marking (T0330)T163.CA as missing WARNING: atoms too close: (T0330)R207.C and (T0330)K209.C only 0.000 apart, marking (T0330)K209.C as missing WARNING: atoms too close: (T0330)H208.N and (T0330)P210.N only 0.000 apart, marking (T0330)H208.N as missing WARNING: atoms too close: (T0330)H208.CA and (T0330)P210.CA only 0.000 apart, marking (T0330)H208.CA as missing # WARNING: incomplete conformation T0330 can't currently be optimized by undertaker # command:# naming current conformation align3 # command:# ReadConformPDB reading from PDB file T0330.undertaker-align.pdb looking for model 4 WARNING: atoms too close: (T0330)F44.C and (T0330)M48.C only 0.000 apart, marking (T0330)M48.C as missing WARNING: atoms too close: (T0330)S45.N and (T0330)D49.N only 0.000 apart, marking (T0330)S45.N as missing WARNING: atoms too close: (T0330)S45.CA and (T0330)D49.CA only 0.000 apart, marking (T0330)S45.CA as missing WARNING: atoms too close: (T0330)R85.C and (T0330)D90.C only 0.000 apart, marking (T0330)D90.C as missing WARNING: atoms too close: (T0330)A86.N and (T0330)I91.N only 0.000 apart, marking (T0330)A86.N as missing WARNING: atoms too close: (T0330)A86.CA and (T0330)I91.CA only 0.000 apart, marking (T0330)A86.CA as missing WARNING: atoms too close: (T0330)R107.C and (T0330)D109.C only 0.000 apart, marking (T0330)D109.C as missing WARNING: atoms too close: (T0330)S108.N and (T0330)V110.N only 0.000 apart, marking (T0330)S108.N as missing WARNING: atoms too close: (T0330)S108.CA and (T0330)V110.CA only 0.000 apart, marking (T0330)S108.CA as missing WARNING: atoms too close: (T0330)M162.C and (T0330)A165.C only 0.000 apart, marking (T0330)A165.C as missing WARNING: atoms too close: (T0330)T163.N and (T0330)N166.N only 0.000 apart, marking (T0330)T163.N as missing WARNING: atoms too close: (T0330)T163.CA and (T0330)N166.CA only 0.000 apart, marking (T0330)T163.CA as missing WARNING: atoms too close: (T0330)T201.C and (T0330)K209.C only 0.000 apart, marking (T0330)K209.C as missing WARNING: atoms too close: (T0330)M202.N and (T0330)P210.N only 0.000 apart, marking (T0330)M202.N as missing WARNING: atoms too close: (T0330)M202.CA and (T0330)P210.CA only 0.000 apart, marking (T0330)M202.CA as missing # WARNING: incomplete conformation T0330 can't currently be optimized by undertaker # command:# naming current conformation align4 # command:# ReadConformPDB reading from PDB file T0330.undertaker-align.pdb looking for model 5 WARNING: atoms too close: (T0330)M1.C and (T0330)S2.C only 0.000 apart, marking (T0330)S2.C as missing WARNING: atoms too close: (T0330)S2.N and (T0330)R3.N only 0.000 apart, marking (T0330)S2.N as missing WARNING: atoms too close: (T0330)S2.CA and (T0330)R3.CA only 0.000 apart, marking (T0330)S2.CA as missing WARNING: atoms too close: (T0330)S19.C and (T0330)M20.C only 0.000 apart, marking (T0330)M20.C as missing WARNING: atoms too close: (T0330)M20.N and (T0330)N21.N only 0.000 apart, marking (T0330)M20.N as missing WARNING: atoms too close: (T0330)M20.CA and (T0330)N21.CA only 0.000 apart, marking (T0330)M20.CA as missing WARNING: atoms too close: (T0330)S38.C and (T0330)M48.C only 0.000 apart, marking (T0330)M48.C as missing WARNING: atoms too close: (T0330)T39.N and (T0330)D49.N only 0.000 apart, marking (T0330)T39.N as missing WARNING: atoms too close: (T0330)T39.CA and (T0330)D49.CA only 0.000 apart, marking (T0330)T39.CA as missing WARNING: atoms too close: (T0330)R85.C and (T0330)A86.C only 0.000 apart, marking (T0330)A86.C as missing WARNING: atoms too close: (T0330)A86.N and (T0330)R87.N only 0.000 apart, marking (T0330)A86.N as missing WARNING: atoms too close: (T0330)A86.CA and (T0330)R87.CA only 0.000 apart, marking (T0330)A86.CA as missing WARNING: atoms too close: (T0330)R107.C and (T0330)D109.C only 0.000 apart, marking (T0330)D109.C as missing WARNING: atoms too close: (T0330)S108.N and (T0330)V110.N only 0.000 apart, marking (T0330)S108.N as missing WARNING: atoms too close: (T0330)S108.CA and (T0330)V110.CA only 0.000 apart, marking (T0330)S108.CA as missing WARNING: atoms too close: (T0330)M162.C and (T0330)A165.C only 0.000 apart, marking (T0330)A165.C as missing WARNING: atoms too close: (T0330)T163.N and (T0330)N166.N only 0.000 apart, marking (T0330)T163.N as missing WARNING: atoms too close: (T0330)T163.CA and (T0330)N166.CA only 0.000 apart, marking (T0330)T163.CA as missing WARNING: atoms too close: (T0330)R207.C and (T0330)K209.C only 0.000 apart, marking (T0330)K209.C as missing WARNING: atoms too close: (T0330)H208.N and (T0330)P210.N only 0.000 apart, marking (T0330)H208.N as missing WARNING: atoms too close: (T0330)H208.CA and (T0330)P210.CA only 0.000 apart, marking (T0330)H208.CA as missing # WARNING: incomplete conformation T0330 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 227 # 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 227 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file ../model4.ts-submitted looking for model 1 # Found a chain break before 208 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file ../model5.ts-submitted looking for model 1 # WARNING: incomplete conformation T0330 can't currently be optimized by undertaker # ReadConformPDB reading from PDB file T0330.try1-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 226 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0330.try1-opt1.pdb.gz looking for model 1 # Found a chain break before 226 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0330.try1-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 208 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0330.try1-opt2.pdb.gz looking for model 1 # Found a chain break before 231 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0330.try1-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 T0330.try10-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 227 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0330.try10-opt1.pdb.gz looking for model 1 # Found a chain break before 227 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0330.try10-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 199 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0330.try10-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 199 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0330.try10-opt2.pdb.gz looking for model 1 # Found a chain break before 227 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0330.try10-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 227 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0330.try11-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 227 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0330.try11-opt1.pdb.gz looking for model 1 # Found a chain break before 227 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0330.try11-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 68 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0330.try11-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 68 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0330.try11-opt2.pdb.gz looking for model 1 # Found a chain break before 227 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0330.try11-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 227 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0330.try12-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 229 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0330.try12-opt1.pdb.gz looking for model 1 # Found a chain break before 229 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0330.try12-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 67 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0330.try12-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 67 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0330.try12-opt2.pdb.gz looking for model 1 # Found a chain break before 229 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0330.try12-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 T0330.try13-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 200 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0330.try13-opt1.pdb.gz looking for model 1 # Found a chain break before 200 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0330.try13-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 136 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0330.try13-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 136 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0330.try13-opt2.pdb.gz looking for model 1 # Found a chain break before 229 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0330.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 T0330.try2-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 231 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0330.try2-opt1.pdb.gz looking for model 1 # Found a chain break before 231 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0330.try2-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 167 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0330.try2-opt2.pdb.gz looking for model 1 # Found a chain break before 231 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0330.try2-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 T0330.try3-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 216 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0330.try3-opt1.pdb.gz looking for model 1 # Found a chain break before 216 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0330.try3-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 208 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0330.try3-opt2.pdb.gz looking for model 1 # Found a chain break before 216 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0330.try3-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 216 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0330.try4-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 229 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0330.try4-opt1.pdb.gz looking for model 1 # Found a chain break before 229 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0330.try4-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 209 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0330.try4-opt2.pdb.gz looking for model 1 # Found a chain break before 229 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0330.try4-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 T0330.try5-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 231 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0330.try5-opt1.pdb.gz looking for model 1 # Found a chain break before 231 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0330.try5-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 93 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0330.try5-opt2.pdb.gz looking for model 1 # Found a chain break before 231 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0330.try5-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 T0330.try6-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 215 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0330.try6-opt1.pdb.gz looking for model 1 # Found a chain break before 215 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0330.try6-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 209 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0330.try6-opt2.pdb.gz looking for model 1 # Found a chain break before 215 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0330.try6-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 215 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0330.try7-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 227 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0330.try7-opt1.pdb.gz looking for model 1 # Found a chain break before 227 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0330.try7-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 89 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0330.try7-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 89 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0330.try7-opt2.pdb.gz looking for model 1 # Found a chain break before 229 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0330.try7-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 T0330.try8-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 231 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0330.try8-opt1.pdb.gz looking for model 1 # Found a chain break before 231 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0330.try8-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 15 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0330.try8-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 15 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0330.try8-opt2.pdb.gz looking for model 1 # Found a chain break before 231 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0330.try8-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 T0330.try9-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 209 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0330.try9-opt1.pdb.gz looking for model 1 # Found a chain break before 209 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0330.try9-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 208 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0330.try9-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 208 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0330.try9-opt2.pdb.gz looking for model 1 # Found a chain break before 228 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0330.try9-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 228 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file servers/3D-JIGSAW_POPULUS_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0330 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_POPULUS_TS1 # request to SCWRL produces command: ulimit -t 210 ; scwrl3 -i /var/tmp/to_scwrl_1501559637.pdb -s /var/tmp/to_scwrl_1501559637.seq -o /var/tmp/from_scwrl_1501559637.pdb > /var/tmp/scwrl_1501559637.log sh: /var/tmp/scwrl_1501559637.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1501559637.pdb or /var/tmp/from_scwrl_1501559637.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1501559637_b.pdb or decoys//var/tmp/from_scwrl_1501559637_b.pdb.gz for input Trying /var/tmp/from_scwrl_1501559637_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1501559637_b.pdb or /var/tmp/from_scwrl_1501559637_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1501559637_a.pdb or decoys//var/tmp/from_scwrl_1501559637_a.pdb.gz for input Trying /var/tmp/from_scwrl_1501559637_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1501559637_a.pdb or /var/tmp/from_scwrl_1501559637_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1501559637.pdb or /var/tmp/from_scwrl_1501559637_b.pdb or /var/tmp/from_scwrl_1501559637_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 T0330 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_POPULUS_TS2 # request to SCWRL produces command: ulimit -t 210 ; scwrl3 -i /var/tmp/to_scwrl_1063764833.pdb -s /var/tmp/to_scwrl_1063764833.seq -o /var/tmp/from_scwrl_1063764833.pdb > /var/tmp/scwrl_1063764833.log sh: /var/tmp/scwrl_1063764833.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1063764833.pdb or /var/tmp/from_scwrl_1063764833.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1063764833_b.pdb or decoys//var/tmp/from_scwrl_1063764833_b.pdb.gz for input Trying /var/tmp/from_scwrl_1063764833_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1063764833_b.pdb or /var/tmp/from_scwrl_1063764833_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1063764833_a.pdb or decoys//var/tmp/from_scwrl_1063764833_a.pdb.gz for input Trying /var/tmp/from_scwrl_1063764833_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1063764833_a.pdb or /var/tmp/from_scwrl_1063764833_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1063764833.pdb or /var/tmp/from_scwrl_1063764833_b.pdb or /var/tmp/from_scwrl_1063764833_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 T0330 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_POPULUS_TS3 # request to SCWRL produces command: ulimit -t 210 ; scwrl3 -i /var/tmp/to_scwrl_401762426.pdb -s /var/tmp/to_scwrl_401762426.seq -o /var/tmp/from_scwrl_401762426.pdb > /var/tmp/scwrl_401762426.log sh: /var/tmp/scwrl_401762426.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_401762426.pdb or /var/tmp/from_scwrl_401762426.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_401762426_b.pdb or decoys//var/tmp/from_scwrl_401762426_b.pdb.gz for input Trying /var/tmp/from_scwrl_401762426_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_401762426_b.pdb or /var/tmp/from_scwrl_401762426_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_401762426_a.pdb or decoys//var/tmp/from_scwrl_401762426_a.pdb.gz for input Trying /var/tmp/from_scwrl_401762426_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_401762426_a.pdb or /var/tmp/from_scwrl_401762426_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_401762426.pdb or /var/tmp/from_scwrl_401762426_b.pdb or /var/tmp/from_scwrl_401762426_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 T0330 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_POPULUS_TS4 # request to SCWRL produces command: ulimit -t 210 ; scwrl3 -i /var/tmp/to_scwrl_1528917556.pdb -s /var/tmp/to_scwrl_1528917556.seq -o /var/tmp/from_scwrl_1528917556.pdb > /var/tmp/scwrl_1528917556.log sh: /var/tmp/scwrl_1528917556.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1528917556.pdb or /var/tmp/from_scwrl_1528917556.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1528917556_b.pdb or decoys//var/tmp/from_scwrl_1528917556_b.pdb.gz for input Trying /var/tmp/from_scwrl_1528917556_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1528917556_b.pdb or /var/tmp/from_scwrl_1528917556_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1528917556_a.pdb or decoys//var/tmp/from_scwrl_1528917556_a.pdb.gz for input Trying /var/tmp/from_scwrl_1528917556_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1528917556_a.pdb or /var/tmp/from_scwrl_1528917556_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1528917556.pdb or /var/tmp/from_scwrl_1528917556_b.pdb or /var/tmp/from_scwrl_1528917556_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 T0330 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_POPULUS_TS5 # request to SCWRL produces command: ulimit -t 210 ; scwrl3 -i /var/tmp/to_scwrl_688093694.pdb -s /var/tmp/to_scwrl_688093694.seq -o /var/tmp/from_scwrl_688093694.pdb > /var/tmp/scwrl_688093694.log sh: /var/tmp/scwrl_688093694.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_688093694.pdb or /var/tmp/from_scwrl_688093694.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_688093694_b.pdb or decoys//var/tmp/from_scwrl_688093694_b.pdb.gz for input Trying /var/tmp/from_scwrl_688093694_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_688093694_b.pdb or /var/tmp/from_scwrl_688093694_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_688093694_a.pdb or decoys//var/tmp/from_scwrl_688093694_a.pdb.gz for input Trying /var/tmp/from_scwrl_688093694_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_688093694_a.pdb or /var/tmp/from_scwrl_688093694_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_688093694.pdb or /var/tmp/from_scwrl_688093694_b.pdb or /var/tmp/from_scwrl_688093694_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 T0330 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS1 # request to SCWRL produces command: ulimit -t 210 ; scwrl3 -i /var/tmp/to_scwrl_817819917.pdb -s /var/tmp/to_scwrl_817819917.seq -o /var/tmp/from_scwrl_817819917.pdb > /var/tmp/scwrl_817819917.log sh: /var/tmp/scwrl_817819917.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_817819917.pdb or /var/tmp/from_scwrl_817819917.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_817819917_b.pdb or decoys//var/tmp/from_scwrl_817819917_b.pdb.gz for input Trying /var/tmp/from_scwrl_817819917_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_817819917_b.pdb or /var/tmp/from_scwrl_817819917_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_817819917_a.pdb or decoys//var/tmp/from_scwrl_817819917_a.pdb.gz for input Trying /var/tmp/from_scwrl_817819917_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_817819917_a.pdb or /var/tmp/from_scwrl_817819917_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_817819917.pdb or /var/tmp/from_scwrl_817819917_b.pdb or /var/tmp/from_scwrl_817819917_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 T0330 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS2 # request to SCWRL produces command: ulimit -t 210 ; scwrl3 -i /var/tmp/to_scwrl_867205535.pdb -s /var/tmp/to_scwrl_867205535.seq -o /var/tmp/from_scwrl_867205535.pdb > /var/tmp/scwrl_867205535.log sh: /var/tmp/scwrl_867205535.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_867205535.pdb or /var/tmp/from_scwrl_867205535.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_867205535_b.pdb or decoys//var/tmp/from_scwrl_867205535_b.pdb.gz for input Trying /var/tmp/from_scwrl_867205535_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_867205535_b.pdb or /var/tmp/from_scwrl_867205535_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_867205535_a.pdb or decoys//var/tmp/from_scwrl_867205535_a.pdb.gz for input Trying /var/tmp/from_scwrl_867205535_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_867205535_a.pdb or /var/tmp/from_scwrl_867205535_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_867205535.pdb or /var/tmp/from_scwrl_867205535_b.pdb or /var/tmp/from_scwrl_867205535_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 T0330 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS3 # request to SCWRL produces command: ulimit -t 210 ; scwrl3 -i /var/tmp/to_scwrl_2000466550.pdb -s /var/tmp/to_scwrl_2000466550.seq -o /var/tmp/from_scwrl_2000466550.pdb > /var/tmp/scwrl_2000466550.log sh: /var/tmp/scwrl_2000466550.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_2000466550.pdb or /var/tmp/from_scwrl_2000466550.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2000466550_b.pdb or decoys//var/tmp/from_scwrl_2000466550_b.pdb.gz for input Trying /var/tmp/from_scwrl_2000466550_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_2000466550_b.pdb or /var/tmp/from_scwrl_2000466550_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2000466550_a.pdb or decoys//var/tmp/from_scwrl_2000466550_a.pdb.gz for input Trying /var/tmp/from_scwrl_2000466550_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_2000466550_a.pdb or /var/tmp/from_scwrl_2000466550_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_2000466550.pdb or /var/tmp/from_scwrl_2000466550_b.pdb or /var/tmp/from_scwrl_2000466550_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 T0330 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS4 # request to SCWRL produces command: ulimit -t 210 ; scwrl3 -i /var/tmp/to_scwrl_345861318.pdb -s /var/tmp/to_scwrl_345861318.seq -o /var/tmp/from_scwrl_345861318.pdb > /var/tmp/scwrl_345861318.log sh: /var/tmp/scwrl_345861318.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_345861318.pdb or /var/tmp/from_scwrl_345861318.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_345861318_b.pdb or decoys//var/tmp/from_scwrl_345861318_b.pdb.gz for input Trying /var/tmp/from_scwrl_345861318_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_345861318_b.pdb or /var/tmp/from_scwrl_345861318_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_345861318_a.pdb or decoys//var/tmp/from_scwrl_345861318_a.pdb.gz for input Trying /var/tmp/from_scwrl_345861318_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_345861318_a.pdb or /var/tmp/from_scwrl_345861318_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_345861318.pdb or /var/tmp/from_scwrl_345861318_b.pdb or /var/tmp/from_scwrl_345861318_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 T0330 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS5 # request to SCWRL produces command: ulimit -t 210 ; scwrl3 -i /var/tmp/to_scwrl_1677338394.pdb -s /var/tmp/to_scwrl_1677338394.seq -o /var/tmp/from_scwrl_1677338394.pdb > /var/tmp/scwrl_1677338394.log sh: /var/tmp/scwrl_1677338394.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1677338394.pdb or /var/tmp/from_scwrl_1677338394.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1677338394_b.pdb or decoys//var/tmp/from_scwrl_1677338394_b.pdb.gz for input Trying /var/tmp/from_scwrl_1677338394_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1677338394_b.pdb or /var/tmp/from_scwrl_1677338394_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1677338394_a.pdb or decoys//var/tmp/from_scwrl_1677338394_a.pdb.gz for input Trying /var/tmp/from_scwrl_1677338394_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1677338394_a.pdb or /var/tmp/from_scwrl_1677338394_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1677338394.pdb or /var/tmp/from_scwrl_1677338394_b.pdb or /var/tmp/from_scwrl_1677338394_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 T0330 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_TS1 # request to SCWRL produces command: ulimit -t 210 ; scwrl3 -i /var/tmp/to_scwrl_921260494.pdb -s /var/tmp/to_scwrl_921260494.seq -o /var/tmp/from_scwrl_921260494.pdb > /var/tmp/scwrl_921260494.log sh: /var/tmp/scwrl_921260494.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_921260494.pdb or /var/tmp/from_scwrl_921260494.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_921260494_b.pdb or decoys//var/tmp/from_scwrl_921260494_b.pdb.gz for input Trying /var/tmp/from_scwrl_921260494_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_921260494_b.pdb or /var/tmp/from_scwrl_921260494_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_921260494_a.pdb or decoys//var/tmp/from_scwrl_921260494_a.pdb.gz for input Trying /var/tmp/from_scwrl_921260494_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_921260494_a.pdb or /var/tmp/from_scwrl_921260494_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_921260494.pdb or /var/tmp/from_scwrl_921260494_b.pdb or /var/tmp/from_scwrl_921260494_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 T0330 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_TS2 # request to SCWRL produces command: ulimit -t 210 ; scwrl3 -i /var/tmp/to_scwrl_1310707648.pdb -s /var/tmp/to_scwrl_1310707648.seq -o /var/tmp/from_scwrl_1310707648.pdb > /var/tmp/scwrl_1310707648.log sh: /var/tmp/scwrl_1310707648.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1310707648.pdb or /var/tmp/from_scwrl_1310707648.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1310707648_b.pdb or decoys//var/tmp/from_scwrl_1310707648_b.pdb.gz for input Trying /var/tmp/from_scwrl_1310707648_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1310707648_b.pdb or /var/tmp/from_scwrl_1310707648_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1310707648_a.pdb or decoys//var/tmp/from_scwrl_1310707648_a.pdb.gz for input Trying /var/tmp/from_scwrl_1310707648_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1310707648_a.pdb or /var/tmp/from_scwrl_1310707648_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1310707648.pdb or /var/tmp/from_scwrl_1310707648_b.pdb or /var/tmp/from_scwrl_1310707648_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 T0330 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_TS3 # request to SCWRL produces command: ulimit -t 210 ; scwrl3 -i /var/tmp/to_scwrl_161950514.pdb -s /var/tmp/to_scwrl_161950514.seq -o /var/tmp/from_scwrl_161950514.pdb > /var/tmp/scwrl_161950514.log sh: /var/tmp/scwrl_161950514.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_161950514.pdb or /var/tmp/from_scwrl_161950514.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_161950514_b.pdb or decoys//var/tmp/from_scwrl_161950514_b.pdb.gz for input Trying /var/tmp/from_scwrl_161950514_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_161950514_b.pdb or /var/tmp/from_scwrl_161950514_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_161950514_a.pdb or decoys//var/tmp/from_scwrl_161950514_a.pdb.gz for input Trying /var/tmp/from_scwrl_161950514_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_161950514_a.pdb or /var/tmp/from_scwrl_161950514_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_161950514.pdb or /var/tmp/from_scwrl_161950514_b.pdb or /var/tmp/from_scwrl_161950514_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 T0330 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_TS4 # request to SCWRL produces command: ulimit -t 210 ; scwrl3 -i /var/tmp/to_scwrl_2113431499.pdb -s /var/tmp/to_scwrl_2113431499.seq -o /var/tmp/from_scwrl_2113431499.pdb > /var/tmp/scwrl_2113431499.log sh: /var/tmp/scwrl_2113431499.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_2113431499.pdb or /var/tmp/from_scwrl_2113431499.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2113431499_b.pdb or decoys//var/tmp/from_scwrl_2113431499_b.pdb.gz for input Trying /var/tmp/from_scwrl_2113431499_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_2113431499_b.pdb or /var/tmp/from_scwrl_2113431499_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2113431499_a.pdb or decoys//var/tmp/from_scwrl_2113431499_a.pdb.gz for input Trying /var/tmp/from_scwrl_2113431499_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_2113431499_a.pdb or /var/tmp/from_scwrl_2113431499_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_2113431499.pdb or /var/tmp/from_scwrl_2113431499_b.pdb or /var/tmp/from_scwrl_2113431499_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 T0330 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_TS5 # request to SCWRL produces command: ulimit -t 210 ; scwrl3 -i /var/tmp/to_scwrl_589211653.pdb -s /var/tmp/to_scwrl_589211653.seq -o /var/tmp/from_scwrl_589211653.pdb > /var/tmp/scwrl_589211653.log sh: /var/tmp/scwrl_589211653.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_589211653.pdb or /var/tmp/from_scwrl_589211653.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_589211653_b.pdb or decoys//var/tmp/from_scwrl_589211653_b.pdb.gz for input Trying /var/tmp/from_scwrl_589211653_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_589211653_b.pdb or /var/tmp/from_scwrl_589211653_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_589211653_a.pdb or decoys//var/tmp/from_scwrl_589211653_a.pdb.gz for input Trying /var/tmp/from_scwrl_589211653_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_589211653_a.pdb or /var/tmp/from_scwrl_589211653_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_589211653.pdb or /var/tmp/from_scwrl_589211653_b.pdb or /var/tmp/from_scwrl_589211653_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 199 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS1 # request to SCWRL produces command: ulimit -t 210 ; scwrl3 -i /var/tmp/to_scwrl_320833038.pdb -s /var/tmp/to_scwrl_320833038.seq -o /var/tmp/from_scwrl_320833038.pdb > /var/tmp/scwrl_320833038.log sh: /var/tmp/scwrl_320833038.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_320833038.pdb or /var/tmp/from_scwrl_320833038.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_320833038_b.pdb or decoys//var/tmp/from_scwrl_320833038_b.pdb.gz for input Trying /var/tmp/from_scwrl_320833038_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_320833038_b.pdb or /var/tmp/from_scwrl_320833038_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_320833038_a.pdb or decoys//var/tmp/from_scwrl_320833038_a.pdb.gz for input Trying /var/tmp/from_scwrl_320833038_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_320833038_a.pdb or /var/tmp/from_scwrl_320833038_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_320833038.pdb or /var/tmp/from_scwrl_320833038_b.pdb or /var/tmp/from_scwrl_320833038_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 209 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS2 # request to SCWRL produces command: ulimit -t 210 ; scwrl3 -i /var/tmp/to_scwrl_1291087829.pdb -s /var/tmp/to_scwrl_1291087829.seq -o /var/tmp/from_scwrl_1291087829.pdb > /var/tmp/scwrl_1291087829.log sh: /var/tmp/scwrl_1291087829.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1291087829.pdb or /var/tmp/from_scwrl_1291087829.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1291087829_b.pdb or decoys//var/tmp/from_scwrl_1291087829_b.pdb.gz for input Trying /var/tmp/from_scwrl_1291087829_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1291087829_b.pdb or /var/tmp/from_scwrl_1291087829_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1291087829_a.pdb or decoys//var/tmp/from_scwrl_1291087829_a.pdb.gz for input Trying /var/tmp/from_scwrl_1291087829_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1291087829_a.pdb or /var/tmp/from_scwrl_1291087829_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1291087829.pdb or /var/tmp/from_scwrl_1291087829_b.pdb or /var/tmp/from_scwrl_1291087829_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 107 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS3 # request to SCWRL produces command: ulimit -t 210 ; scwrl3 -i /var/tmp/to_scwrl_1633560230.pdb -s /var/tmp/to_scwrl_1633560230.seq -o /var/tmp/from_scwrl_1633560230.pdb > /var/tmp/scwrl_1633560230.log sh: /var/tmp/scwrl_1633560230.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1633560230.pdb or /var/tmp/from_scwrl_1633560230.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1633560230_b.pdb or decoys//var/tmp/from_scwrl_1633560230_b.pdb.gz for input Trying /var/tmp/from_scwrl_1633560230_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1633560230_b.pdb or /var/tmp/from_scwrl_1633560230_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1633560230_a.pdb or decoys//var/tmp/from_scwrl_1633560230_a.pdb.gz for input Trying /var/tmp/from_scwrl_1633560230_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1633560230_a.pdb or /var/tmp/from_scwrl_1633560230_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1633560230.pdb or /var/tmp/from_scwrl_1633560230_b.pdb or /var/tmp/from_scwrl_1633560230_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 209 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS4 # request to SCWRL produces command: ulimit -t 210 ; scwrl3 -i /var/tmp/to_scwrl_1253913990.pdb -s /var/tmp/to_scwrl_1253913990.seq -o /var/tmp/from_scwrl_1253913990.pdb > /var/tmp/scwrl_1253913990.log sh: /var/tmp/scwrl_1253913990.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1253913990.pdb or /var/tmp/from_scwrl_1253913990.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1253913990_b.pdb or decoys//var/tmp/from_scwrl_1253913990_b.pdb.gz for input Trying /var/tmp/from_scwrl_1253913990_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1253913990_b.pdb or /var/tmp/from_scwrl_1253913990_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1253913990_a.pdb or decoys//var/tmp/from_scwrl_1253913990_a.pdb.gz for input Trying /var/tmp/from_scwrl_1253913990_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1253913990_a.pdb or /var/tmp/from_scwrl_1253913990_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1253913990.pdb or /var/tmp/from_scwrl_1253913990_b.pdb or /var/tmp/from_scwrl_1253913990_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 109 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS5 # request to SCWRL produces command: ulimit -t 210 ; scwrl3 -i /var/tmp/to_scwrl_483672104.pdb -s /var/tmp/to_scwrl_483672104.seq -o /var/tmp/from_scwrl_483672104.pdb > /var/tmp/scwrl_483672104.log sh: /var/tmp/scwrl_483672104.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_483672104.pdb or /var/tmp/from_scwrl_483672104.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_483672104_b.pdb or decoys//var/tmp/from_scwrl_483672104_b.pdb.gz for input Trying /var/tmp/from_scwrl_483672104_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_483672104_b.pdb or /var/tmp/from_scwrl_483672104_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_483672104_a.pdb or decoys//var/tmp/from_scwrl_483672104_a.pdb.gz for input Trying /var/tmp/from_scwrl_483672104_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_483672104_a.pdb or /var/tmp/from_scwrl_483672104_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_483672104.pdb or /var/tmp/from_scwrl_483672104_b.pdb or /var/tmp/from_scwrl_483672104_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 229 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS1 # request to SCWRL produces command: ulimit -t 210 ; scwrl3 -i /var/tmp/to_scwrl_860226284.pdb -s /var/tmp/to_scwrl_860226284.seq -o /var/tmp/from_scwrl_860226284.pdb > /var/tmp/scwrl_860226284.log sh: /var/tmp/scwrl_860226284.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_860226284.pdb or /var/tmp/from_scwrl_860226284.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_860226284_b.pdb or decoys//var/tmp/from_scwrl_860226284_b.pdb.gz for input Trying /var/tmp/from_scwrl_860226284_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_860226284_b.pdb or /var/tmp/from_scwrl_860226284_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_860226284_a.pdb or decoys//var/tmp/from_scwrl_860226284_a.pdb.gz for input Trying /var/tmp/from_scwrl_860226284_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_860226284_a.pdb or /var/tmp/from_scwrl_860226284_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_860226284.pdb or /var/tmp/from_scwrl_860226284_b.pdb or /var/tmp/from_scwrl_860226284_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 215 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS2 # request to SCWRL produces command: ulimit -t 210 ; scwrl3 -i /var/tmp/to_scwrl_1672825786.pdb -s /var/tmp/to_scwrl_1672825786.seq -o /var/tmp/from_scwrl_1672825786.pdb > /var/tmp/scwrl_1672825786.log sh: /var/tmp/scwrl_1672825786.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1672825786.pdb or /var/tmp/from_scwrl_1672825786.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1672825786_b.pdb or decoys//var/tmp/from_scwrl_1672825786_b.pdb.gz for input Trying /var/tmp/from_scwrl_1672825786_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1672825786_b.pdb or /var/tmp/from_scwrl_1672825786_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1672825786_a.pdb or decoys//var/tmp/from_scwrl_1672825786_a.pdb.gz for input Trying /var/tmp/from_scwrl_1672825786_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1672825786_a.pdb or /var/tmp/from_scwrl_1672825786_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1672825786.pdb or /var/tmp/from_scwrl_1672825786_b.pdb or /var/tmp/from_scwrl_1672825786_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 225 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS3 # request to SCWRL produces command: ulimit -t 210 ; scwrl3 -i /var/tmp/to_scwrl_106297592.pdb -s /var/tmp/to_scwrl_106297592.seq -o /var/tmp/from_scwrl_106297592.pdb > /var/tmp/scwrl_106297592.log sh: /var/tmp/scwrl_106297592.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_106297592.pdb or /var/tmp/from_scwrl_106297592.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_106297592_b.pdb or decoys//var/tmp/from_scwrl_106297592_b.pdb.gz for input Trying /var/tmp/from_scwrl_106297592_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_106297592_b.pdb or /var/tmp/from_scwrl_106297592_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_106297592_a.pdb or decoys//var/tmp/from_scwrl_106297592_a.pdb.gz for input Trying /var/tmp/from_scwrl_106297592_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_106297592_a.pdb or /var/tmp/from_scwrl_106297592_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_106297592.pdb or /var/tmp/from_scwrl_106297592_b.pdb or /var/tmp/from_scwrl_106297592_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 230 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS4 # request to SCWRL produces command: ulimit -t 210 ; scwrl3 -i /var/tmp/to_scwrl_173663798.pdb -s /var/tmp/to_scwrl_173663798.seq -o /var/tmp/from_scwrl_173663798.pdb > /var/tmp/scwrl_173663798.log sh: /var/tmp/scwrl_173663798.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_173663798.pdb or /var/tmp/from_scwrl_173663798.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_173663798_b.pdb or decoys//var/tmp/from_scwrl_173663798_b.pdb.gz for input Trying /var/tmp/from_scwrl_173663798_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_173663798_b.pdb or /var/tmp/from_scwrl_173663798_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_173663798_a.pdb or decoys//var/tmp/from_scwrl_173663798_a.pdb.gz for input Trying /var/tmp/from_scwrl_173663798_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_173663798_a.pdb or /var/tmp/from_scwrl_173663798_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_173663798.pdb or /var/tmp/from_scwrl_173663798_b.pdb or /var/tmp/from_scwrl_173663798_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 228 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS5 # request to SCWRL produces command: ulimit -t 210 ; scwrl3 -i /var/tmp/to_scwrl_1294985991.pdb -s /var/tmp/to_scwrl_1294985991.seq -o /var/tmp/from_scwrl_1294985991.pdb > /var/tmp/scwrl_1294985991.log sh: /var/tmp/scwrl_1294985991.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1294985991.pdb or /var/tmp/from_scwrl_1294985991.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1294985991_b.pdb or decoys//var/tmp/from_scwrl_1294985991_b.pdb.gz for input Trying /var/tmp/from_scwrl_1294985991_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1294985991_b.pdb or /var/tmp/from_scwrl_1294985991_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1294985991_a.pdb or decoys//var/tmp/from_scwrl_1294985991_a.pdb.gz for input Trying /var/tmp/from_scwrl_1294985991_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1294985991_a.pdb or /var/tmp/from_scwrl_1294985991_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1294985991.pdb or /var/tmp/from_scwrl_1294985991_b.pdb or /var/tmp/from_scwrl_1294985991_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 149 # copying to AlignedFragments data structure # naming current conformation BayesHH_TS1 # request to SCWRL produces command: ulimit -t 210 ; scwrl3 -i /var/tmp/to_scwrl_1961703718.pdb -s /var/tmp/to_scwrl_1961703718.seq -o /var/tmp/from_scwrl_1961703718.pdb > /var/tmp/scwrl_1961703718.log sh: /var/tmp/scwrl_1961703718.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1961703718.pdb or /var/tmp/from_scwrl_1961703718.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1961703718_b.pdb or decoys//var/tmp/from_scwrl_1961703718_b.pdb.gz for input Trying /var/tmp/from_scwrl_1961703718_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1961703718_b.pdb or /var/tmp/from_scwrl_1961703718_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1961703718_a.pdb or decoys//var/tmp/from_scwrl_1961703718_a.pdb.gz for input Trying /var/tmp/from_scwrl_1961703718_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1961703718_a.pdb or /var/tmp/from_scwrl_1961703718_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1961703718.pdb or /var/tmp/from_scwrl_1961703718_b.pdb or /var/tmp/from_scwrl_1961703718_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 209 # copying to AlignedFragments data structure # naming current conformation Bilab-ENABLE_TS1 # request to SCWRL produces command: ulimit -t 210 ; scwrl3 -i /var/tmp/to_scwrl_1458868388.pdb -s /var/tmp/to_scwrl_1458868388.seq -o /var/tmp/from_scwrl_1458868388.pdb > /var/tmp/scwrl_1458868388.log sh: /var/tmp/scwrl_1458868388.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1458868388.pdb or /var/tmp/from_scwrl_1458868388.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1458868388_b.pdb or decoys//var/tmp/from_scwrl_1458868388_b.pdb.gz for input Trying /var/tmp/from_scwrl_1458868388_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1458868388_b.pdb or /var/tmp/from_scwrl_1458868388_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1458868388_a.pdb or decoys//var/tmp/from_scwrl_1458868388_a.pdb.gz for input Trying /var/tmp/from_scwrl_1458868388_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1458868388_a.pdb or /var/tmp/from_scwrl_1458868388_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1458868388.pdb or /var/tmp/from_scwrl_1458868388_b.pdb or /var/tmp/from_scwrl_1458868388_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 201 # copying to AlignedFragments data structure # naming current conformation Bilab-ENABLE_TS2 # request to SCWRL produces command: ulimit -t 210 ; scwrl3 -i /var/tmp/to_scwrl_1773938194.pdb -s /var/tmp/to_scwrl_1773938194.seq -o /var/tmp/from_scwrl_1773938194.pdb > /var/tmp/scwrl_1773938194.log sh: /var/tmp/scwrl_1773938194.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1773938194.pdb or /var/tmp/from_scwrl_1773938194.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1773938194_b.pdb or decoys//var/tmp/from_scwrl_1773938194_b.pdb.gz for input Trying /var/tmp/from_scwrl_1773938194_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1773938194_b.pdb or /var/tmp/from_scwrl_1773938194_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1773938194_a.pdb or decoys//var/tmp/from_scwrl_1773938194_a.pdb.gz for input Trying /var/tmp/from_scwrl_1773938194_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1773938194_a.pdb or /var/tmp/from_scwrl_1773938194_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1773938194.pdb or /var/tmp/from_scwrl_1773938194_b.pdb or /var/tmp/from_scwrl_1773938194_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 131 # copying to AlignedFragments data structure # naming current conformation Bilab-ENABLE_TS3 # request to SCWRL produces command: ulimit -t 210 ; scwrl3 -i /var/tmp/to_scwrl_1115764222.pdb -s /var/tmp/to_scwrl_1115764222.seq -o /var/tmp/from_scwrl_1115764222.pdb > /var/tmp/scwrl_1115764222.log sh: /var/tmp/scwrl_1115764222.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1115764222.pdb or /var/tmp/from_scwrl_1115764222.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1115764222_b.pdb or decoys//var/tmp/from_scwrl_1115764222_b.pdb.gz for input Trying /var/tmp/from_scwrl_1115764222_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1115764222_b.pdb or /var/tmp/from_scwrl_1115764222_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1115764222_a.pdb or decoys//var/tmp/from_scwrl_1115764222_a.pdb.gz for input Trying /var/tmp/from_scwrl_1115764222_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1115764222_a.pdb or /var/tmp/from_scwrl_1115764222_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1115764222.pdb or /var/tmp/from_scwrl_1115764222_b.pdb or /var/tmp/from_scwrl_1115764222_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 149 # copying to AlignedFragments data structure # naming current conformation Bilab-ENABLE_TS4 # request to SCWRL produces command: ulimit -t 210 ; scwrl3 -i /var/tmp/to_scwrl_1408248315.pdb -s /var/tmp/to_scwrl_1408248315.seq -o /var/tmp/from_scwrl_1408248315.pdb > /var/tmp/scwrl_1408248315.log sh: /var/tmp/scwrl_1408248315.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1408248315.pdb or /var/tmp/from_scwrl_1408248315.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1408248315_b.pdb or decoys//var/tmp/from_scwrl_1408248315_b.pdb.gz for input Trying /var/tmp/from_scwrl_1408248315_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1408248315_b.pdb or /var/tmp/from_scwrl_1408248315_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1408248315_a.pdb or decoys//var/tmp/from_scwrl_1408248315_a.pdb.gz for input Trying /var/tmp/from_scwrl_1408248315_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1408248315_a.pdb or /var/tmp/from_scwrl_1408248315_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1408248315.pdb or /var/tmp/from_scwrl_1408248315_b.pdb or /var/tmp/from_scwrl_1408248315_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 116 # copying to AlignedFragments data structure # naming current conformation Bilab-ENABLE_TS5 # request to SCWRL produces command: ulimit -t 210 ; scwrl3 -i /var/tmp/to_scwrl_302564922.pdb -s /var/tmp/to_scwrl_302564922.seq -o /var/tmp/from_scwrl_302564922.pdb > /var/tmp/scwrl_302564922.log sh: /var/tmp/scwrl_302564922.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_302564922.pdb or /var/tmp/from_scwrl_302564922.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_302564922_b.pdb or decoys//var/tmp/from_scwrl_302564922_b.pdb.gz for input Trying /var/tmp/from_scwrl_302564922_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_302564922_b.pdb or /var/tmp/from_scwrl_302564922_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_302564922_a.pdb or decoys//var/tmp/from_scwrl_302564922_a.pdb.gz for input Trying /var/tmp/from_scwrl_302564922_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_302564922_a.pdb or /var/tmp/from_scwrl_302564922_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_302564922.pdb or /var/tmp/from_scwrl_302564922_b.pdb or /var/tmp/from_scwrl_302564922_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 229 # copying to AlignedFragments data structure # naming current conformation CIRCLE_TS1 # request to SCWRL produces command: ulimit -t 210 ; scwrl3 -i /var/tmp/to_scwrl_469840213.pdb -s /var/tmp/to_scwrl_469840213.seq -o /var/tmp/from_scwrl_469840213.pdb > /var/tmp/scwrl_469840213.log sh: /var/tmp/scwrl_469840213.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_469840213.pdb or /var/tmp/from_scwrl_469840213.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_469840213_b.pdb or decoys//var/tmp/from_scwrl_469840213_b.pdb.gz for input Trying /var/tmp/from_scwrl_469840213_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_469840213_b.pdb or /var/tmp/from_scwrl_469840213_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_469840213_a.pdb or decoys//var/tmp/from_scwrl_469840213_a.pdb.gz for input Trying /var/tmp/from_scwrl_469840213_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_469840213_a.pdb or /var/tmp/from_scwrl_469840213_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_469840213.pdb or /var/tmp/from_scwrl_469840213_b.pdb or /var/tmp/from_scwrl_469840213_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 # WARNING: incomplete conformation T0330 can't currently be optimized by undertaker # naming current conformation CIRCLE_TS2 # request to SCWRL produces command: ulimit -t 210 ; scwrl3 -i /var/tmp/to_scwrl_324529501.pdb -s /var/tmp/to_scwrl_324529501.seq -o /var/tmp/from_scwrl_324529501.pdb > /var/tmp/scwrl_324529501.log sh: /var/tmp/scwrl_324529501.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_324529501.pdb or /var/tmp/from_scwrl_324529501.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_324529501_b.pdb or decoys//var/tmp/from_scwrl_324529501_b.pdb.gz for input Trying /var/tmp/from_scwrl_324529501_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_324529501_b.pdb or /var/tmp/from_scwrl_324529501_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_324529501_a.pdb or decoys//var/tmp/from_scwrl_324529501_a.pdb.gz for input Trying /var/tmp/from_scwrl_324529501_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_324529501_a.pdb or /var/tmp/from_scwrl_324529501_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_324529501.pdb or /var/tmp/from_scwrl_324529501_b.pdb or /var/tmp/from_scwrl_324529501_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 # Found a chain break before 223 # copying to AlignedFragments data structure # naming current conformation CIRCLE_TS3 # request to SCWRL produces command: ulimit -t 210 ; scwrl3 -i /var/tmp/to_scwrl_704327349.pdb -s /var/tmp/to_scwrl_704327349.seq -o /var/tmp/from_scwrl_704327349.pdb > /var/tmp/scwrl_704327349.log sh: /var/tmp/scwrl_704327349.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_704327349.pdb or /var/tmp/from_scwrl_704327349.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_704327349_b.pdb or decoys//var/tmp/from_scwrl_704327349_b.pdb.gz for input Trying /var/tmp/from_scwrl_704327349_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_704327349_b.pdb or /var/tmp/from_scwrl_704327349_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_704327349_a.pdb or decoys//var/tmp/from_scwrl_704327349_a.pdb.gz for input Trying /var/tmp/from_scwrl_704327349_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_704327349_a.pdb or /var/tmp/from_scwrl_704327349_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_704327349.pdb or /var/tmp/from_scwrl_704327349_b.pdb or /var/tmp/from_scwrl_704327349_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 T0330 can't currently be optimized by undertaker # naming current conformation CIRCLE_TS4 # request to SCWRL produces command: ulimit -t 210 ; scwrl3 -i /var/tmp/to_scwrl_1998757769.pdb -s /var/tmp/to_scwrl_1998757769.seq -o /var/tmp/from_scwrl_1998757769.pdb > /var/tmp/scwrl_1998757769.log sh: /var/tmp/scwrl_1998757769.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1998757769.pdb or /var/tmp/from_scwrl_1998757769.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1998757769_b.pdb or decoys//var/tmp/from_scwrl_1998757769_b.pdb.gz for input Trying /var/tmp/from_scwrl_1998757769_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1998757769_b.pdb or /var/tmp/from_scwrl_1998757769_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1998757769_a.pdb or decoys//var/tmp/from_scwrl_1998757769_a.pdb.gz for input Trying /var/tmp/from_scwrl_1998757769_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1998757769_a.pdb or /var/tmp/from_scwrl_1998757769_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1998757769.pdb or /var/tmp/from_scwrl_1998757769_b.pdb or /var/tmp/from_scwrl_1998757769_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 T0330 can't currently be optimized by undertaker # naming current conformation CIRCLE_TS5 # request to SCWRL produces command: ulimit -t 210 ; scwrl3 -i /var/tmp/to_scwrl_1012623196.pdb -s /var/tmp/to_scwrl_1012623196.seq -o /var/tmp/from_scwrl_1012623196.pdb > /var/tmp/scwrl_1012623196.log sh: /var/tmp/scwrl_1012623196.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1012623196.pdb or /var/tmp/from_scwrl_1012623196.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1012623196_b.pdb or decoys//var/tmp/from_scwrl_1012623196_b.pdb.gz for input Trying /var/tmp/from_scwrl_1012623196_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1012623196_b.pdb or /var/tmp/from_scwrl_1012623196_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1012623196_a.pdb or decoys//var/tmp/from_scwrl_1012623196_a.pdb.gz for input Trying /var/tmp/from_scwrl_1012623196_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1012623196_a.pdb or /var/tmp/from_scwrl_1012623196_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1012623196.pdb or /var/tmp/from_scwrl_1012623196_b.pdb or /var/tmp/from_scwrl_1012623196_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 T0330 can't currently be optimized by undertaker # naming current conformation CPHmodels_TS1 # request to SCWRL produces command: ulimit -t 210 ; scwrl3 -i /var/tmp/to_scwrl_1522147265.pdb -s /var/tmp/to_scwrl_1522147265.seq -o /var/tmp/from_scwrl_1522147265.pdb > /var/tmp/scwrl_1522147265.log sh: /var/tmp/scwrl_1522147265.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1522147265.pdb or /var/tmp/from_scwrl_1522147265.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1522147265_b.pdb or decoys//var/tmp/from_scwrl_1522147265_b.pdb.gz for input Trying /var/tmp/from_scwrl_1522147265_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1522147265_b.pdb or /var/tmp/from_scwrl_1522147265_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1522147265_a.pdb or decoys//var/tmp/from_scwrl_1522147265_a.pdb.gz for input Trying /var/tmp/from_scwrl_1522147265_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1522147265_a.pdb or /var/tmp/from_scwrl_1522147265_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1522147265.pdb or /var/tmp/from_scwrl_1522147265_b.pdb or /var/tmp/from_scwrl_1522147265_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 T0330 can't currently be optimized by undertaker # naming current conformation CaspIta-FOX_TS1 # request to SCWRL produces command: ulimit -t 210 ; scwrl3 -i /var/tmp/to_scwrl_718479657.pdb -s /var/tmp/to_scwrl_718479657.seq -o /var/tmp/from_scwrl_718479657.pdb > /var/tmp/scwrl_718479657.log sh: /var/tmp/scwrl_718479657.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_718479657.pdb or /var/tmp/from_scwrl_718479657.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_718479657_b.pdb or decoys//var/tmp/from_scwrl_718479657_b.pdb.gz for input Trying /var/tmp/from_scwrl_718479657_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_718479657_b.pdb or /var/tmp/from_scwrl_718479657_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_718479657_a.pdb or decoys//var/tmp/from_scwrl_718479657_a.pdb.gz for input Trying /var/tmp/from_scwrl_718479657_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_718479657_a.pdb or /var/tmp/from_scwrl_718479657_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_718479657.pdb or /var/tmp/from_scwrl_718479657_b.pdb or /var/tmp/from_scwrl_718479657_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 T0330 can't currently be optimized by undertaker # naming current conformation CaspIta-FOX_TS2 # request to SCWRL produces command: ulimit -t 210 ; scwrl3 -i /var/tmp/to_scwrl_865606099.pdb -s /var/tmp/to_scwrl_865606099.seq -o /var/tmp/from_scwrl_865606099.pdb > /var/tmp/scwrl_865606099.log sh: /var/tmp/scwrl_865606099.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_865606099.pdb or /var/tmp/from_scwrl_865606099.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_865606099_b.pdb or decoys//var/tmp/from_scwrl_865606099_b.pdb.gz for input Trying /var/tmp/from_scwrl_865606099_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_865606099_b.pdb or /var/tmp/from_scwrl_865606099_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_865606099_a.pdb or decoys//var/tmp/from_scwrl_865606099_a.pdb.gz for input Trying /var/tmp/from_scwrl_865606099_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_865606099_a.pdb or /var/tmp/from_scwrl_865606099_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_865606099.pdb or /var/tmp/from_scwrl_865606099_b.pdb or /var/tmp/from_scwrl_865606099_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 T0330 can't currently be optimized by undertaker # naming current conformation CaspIta-FOX_TS3 # request to SCWRL produces command: ulimit -t 210 ; scwrl3 -i /var/tmp/to_scwrl_1868008584.pdb -s /var/tmp/to_scwrl_1868008584.seq -o /var/tmp/from_scwrl_1868008584.pdb > /var/tmp/scwrl_1868008584.log sh: /var/tmp/scwrl_1868008584.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1868008584.pdb or /var/tmp/from_scwrl_1868008584.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1868008584_b.pdb or decoys//var/tmp/from_scwrl_1868008584_b.pdb.gz for input Trying /var/tmp/from_scwrl_1868008584_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1868008584_b.pdb or /var/tmp/from_scwrl_1868008584_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1868008584_a.pdb or decoys//var/tmp/from_scwrl_1868008584_a.pdb.gz for input Trying /var/tmp/from_scwrl_1868008584_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1868008584_a.pdb or /var/tmp/from_scwrl_1868008584_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1868008584.pdb or /var/tmp/from_scwrl_1868008584_b.pdb or /var/tmp/from_scwrl_1868008584_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 T0330 can't currently be optimized by undertaker # naming current conformation CaspIta-FOX_TS4 # request to SCWRL produces command: ulimit -t 210 ; scwrl3 -i /var/tmp/to_scwrl_248334404.pdb -s /var/tmp/to_scwrl_248334404.seq -o /var/tmp/from_scwrl_248334404.pdb > /var/tmp/scwrl_248334404.log sh: /var/tmp/scwrl_248334404.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_248334404.pdb or /var/tmp/from_scwrl_248334404.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_248334404_b.pdb or decoys//var/tmp/from_scwrl_248334404_b.pdb.gz for input Trying /var/tmp/from_scwrl_248334404_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_248334404_b.pdb or /var/tmp/from_scwrl_248334404_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_248334404_a.pdb or decoys//var/tmp/from_scwrl_248334404_a.pdb.gz for input Trying /var/tmp/from_scwrl_248334404_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_248334404_a.pdb or /var/tmp/from_scwrl_248334404_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_248334404.pdb or /var/tmp/from_scwrl_248334404_b.pdb or /var/tmp/from_scwrl_248334404_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 T0330 can't currently be optimized by undertaker # naming current conformation CaspIta-FOX_TS5 # request to SCWRL produces command: ulimit -t 210 ; scwrl3 -i /var/tmp/to_scwrl_1786866592.pdb -s /var/tmp/to_scwrl_1786866592.seq -o /var/tmp/from_scwrl_1786866592.pdb > /var/tmp/scwrl_1786866592.log sh: /var/tmp/scwrl_1786866592.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1786866592.pdb or /var/tmp/from_scwrl_1786866592.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1786866592_b.pdb or decoys//var/tmp/from_scwrl_1786866592_b.pdb.gz for input Trying /var/tmp/from_scwrl_1786866592_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1786866592_b.pdb or /var/tmp/from_scwrl_1786866592_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1786866592_a.pdb or decoys//var/tmp/from_scwrl_1786866592_a.pdb.gz for input Trying /var/tmp/from_scwrl_1786866592_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1786866592_a.pdb or /var/tmp/from_scwrl_1786866592_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1786866592.pdb or /var/tmp/from_scwrl_1786866592_b.pdb or /var/tmp/from_scwrl_1786866592_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 T0330 can't currently be optimized by undertaker # naming current conformation Distill_TS1 # request to SCWRL produces command: ulimit -t 210 ; scwrl3 -i /var/tmp/to_scwrl_1031232586.pdb -s /var/tmp/to_scwrl_1031232586.seq -o /var/tmp/from_scwrl_1031232586.pdb > /var/tmp/scwrl_1031232586.log sh: /var/tmp/scwrl_1031232586.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1031232586.pdb or /var/tmp/from_scwrl_1031232586.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1031232586_b.pdb or decoys//var/tmp/from_scwrl_1031232586_b.pdb.gz for input Trying /var/tmp/from_scwrl_1031232586_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1031232586_b.pdb or /var/tmp/from_scwrl_1031232586_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1031232586_a.pdb or decoys//var/tmp/from_scwrl_1031232586_a.pdb.gz for input Trying /var/tmp/from_scwrl_1031232586_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1031232586_a.pdb or /var/tmp/from_scwrl_1031232586_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1031232586.pdb or /var/tmp/from_scwrl_1031232586_b.pdb or /var/tmp/from_scwrl_1031232586_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 T0330 can't currently be optimized by undertaker # naming current conformation Distill_TS2 # request to SCWRL produces command: ulimit -t 210 ; scwrl3 -i /var/tmp/to_scwrl_410284918.pdb -s /var/tmp/to_scwrl_410284918.seq -o /var/tmp/from_scwrl_410284918.pdb > /var/tmp/scwrl_410284918.log sh: /var/tmp/scwrl_410284918.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_410284918.pdb or /var/tmp/from_scwrl_410284918.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_410284918_b.pdb or decoys//var/tmp/from_scwrl_410284918_b.pdb.gz for input Trying /var/tmp/from_scwrl_410284918_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_410284918_b.pdb or /var/tmp/from_scwrl_410284918_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_410284918_a.pdb or decoys//var/tmp/from_scwrl_410284918_a.pdb.gz for input Trying /var/tmp/from_scwrl_410284918_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_410284918_a.pdb or /var/tmp/from_scwrl_410284918_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_410284918.pdb or /var/tmp/from_scwrl_410284918_b.pdb or /var/tmp/from_scwrl_410284918_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 T0330 can't currently be optimized by undertaker # naming current conformation Distill_TS3 # request to SCWRL produces command: ulimit -t 210 ; scwrl3 -i /var/tmp/to_scwrl_1752814444.pdb -s /var/tmp/to_scwrl_1752814444.seq -o /var/tmp/from_scwrl_1752814444.pdb > /var/tmp/scwrl_1752814444.log sh: /var/tmp/scwrl_1752814444.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1752814444.pdb or /var/tmp/from_scwrl_1752814444.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1752814444_b.pdb or decoys//var/tmp/from_scwrl_1752814444_b.pdb.gz for input Trying /var/tmp/from_scwrl_1752814444_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1752814444_b.pdb or /var/tmp/from_scwrl_1752814444_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1752814444_a.pdb or decoys//var/tmp/from_scwrl_1752814444_a.pdb.gz for input Trying /var/tmp/from_scwrl_1752814444_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1752814444_a.pdb or /var/tmp/from_scwrl_1752814444_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1752814444.pdb or /var/tmp/from_scwrl_1752814444_b.pdb or /var/tmp/from_scwrl_1752814444_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 T0330 can't currently be optimized by undertaker # naming current conformation Distill_TS4 # request to SCWRL produces command: ulimit -t 210 ; scwrl3 -i /var/tmp/to_scwrl_1620444238.pdb -s /var/tmp/to_scwrl_1620444238.seq -o /var/tmp/from_scwrl_1620444238.pdb > /var/tmp/scwrl_1620444238.log sh: /var/tmp/scwrl_1620444238.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1620444238.pdb or /var/tmp/from_scwrl_1620444238.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1620444238_b.pdb or decoys//var/tmp/from_scwrl_1620444238_b.pdb.gz for input Trying /var/tmp/from_scwrl_1620444238_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1620444238_b.pdb or /var/tmp/from_scwrl_1620444238_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1620444238_a.pdb or decoys//var/tmp/from_scwrl_1620444238_a.pdb.gz for input Trying /var/tmp/from_scwrl_1620444238_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1620444238_a.pdb or /var/tmp/from_scwrl_1620444238_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1620444238.pdb or /var/tmp/from_scwrl_1620444238_b.pdb or /var/tmp/from_scwrl_1620444238_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 T0330 can't currently be optimized by undertaker # naming current conformation Distill_TS5 # request to SCWRL produces command: ulimit -t 210 ; scwrl3 -i /var/tmp/to_scwrl_731117956.pdb -s /var/tmp/to_scwrl_731117956.seq -o /var/tmp/from_scwrl_731117956.pdb > /var/tmp/scwrl_731117956.log sh: /var/tmp/scwrl_731117956.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_731117956.pdb or /var/tmp/from_scwrl_731117956.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_731117956_b.pdb or decoys//var/tmp/from_scwrl_731117956_b.pdb.gz for input Trying /var/tmp/from_scwrl_731117956_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_731117956_b.pdb or /var/tmp/from_scwrl_731117956_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_731117956_a.pdb or decoys//var/tmp/from_scwrl_731117956_a.pdb.gz for input Trying /var/tmp/from_scwrl_731117956_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_731117956_a.pdb or /var/tmp/from_scwrl_731117956_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_731117956.pdb or /var/tmp/from_scwrl_731117956_b.pdb or /var/tmp/from_scwrl_731117956_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 212 # copying to AlignedFragments data structure # naming current conformation FAMSD_TS1 # request to SCWRL produces command: ulimit -t 210 ; scwrl3 -i /var/tmp/to_scwrl_896418627.pdb -s /var/tmp/to_scwrl_896418627.seq -o /var/tmp/from_scwrl_896418627.pdb > /var/tmp/scwrl_896418627.log sh: /var/tmp/scwrl_896418627.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_896418627.pdb or /var/tmp/from_scwrl_896418627.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_896418627_b.pdb or decoys//var/tmp/from_scwrl_896418627_b.pdb.gz for input Trying /var/tmp/from_scwrl_896418627_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_896418627_b.pdb or /var/tmp/from_scwrl_896418627_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_896418627_a.pdb or decoys//var/tmp/from_scwrl_896418627_a.pdb.gz for input Trying /var/tmp/from_scwrl_896418627_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_896418627_a.pdb or /var/tmp/from_scwrl_896418627_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_896418627.pdb or /var/tmp/from_scwrl_896418627_b.pdb or /var/tmp/from_scwrl_896418627_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 T0330 can't currently be optimized by undertaker # naming current conformation FAMSD_TS2 # request to SCWRL produces command: ulimit -t 210 ; scwrl3 -i /var/tmp/to_scwrl_1106520821.pdb -s /var/tmp/to_scwrl_1106520821.seq -o /var/tmp/from_scwrl_1106520821.pdb > /var/tmp/scwrl_1106520821.log sh: /var/tmp/scwrl_1106520821.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1106520821.pdb or /var/tmp/from_scwrl_1106520821.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1106520821_b.pdb or decoys//var/tmp/from_scwrl_1106520821_b.pdb.gz for input Trying /var/tmp/from_scwrl_1106520821_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1106520821_b.pdb or /var/tmp/from_scwrl_1106520821_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1106520821_a.pdb or decoys//var/tmp/from_scwrl_1106520821_a.pdb.gz for input Trying /var/tmp/from_scwrl_1106520821_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1106520821_a.pdb or /var/tmp/from_scwrl_1106520821_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1106520821.pdb or /var/tmp/from_scwrl_1106520821_b.pdb or /var/tmp/from_scwrl_1106520821_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 T0330 can't currently be optimized by undertaker # naming current conformation FAMSD_TS3 # request to SCWRL produces command: ulimit -t 210 ; scwrl3 -i /var/tmp/to_scwrl_1985031946.pdb -s /var/tmp/to_scwrl_1985031946.seq -o /var/tmp/from_scwrl_1985031946.pdb > /var/tmp/scwrl_1985031946.log sh: /var/tmp/scwrl_1985031946.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1985031946.pdb or /var/tmp/from_scwrl_1985031946.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1985031946_b.pdb or decoys//var/tmp/from_scwrl_1985031946_b.pdb.gz for input Trying /var/tmp/from_scwrl_1985031946_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1985031946_b.pdb or /var/tmp/from_scwrl_1985031946_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1985031946_a.pdb or decoys//var/tmp/from_scwrl_1985031946_a.pdb.gz for input Trying /var/tmp/from_scwrl_1985031946_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1985031946_a.pdb or /var/tmp/from_scwrl_1985031946_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1985031946.pdb or /var/tmp/from_scwrl_1985031946_b.pdb or /var/tmp/from_scwrl_1985031946_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 T0330 can't currently be optimized by undertaker # naming current conformation FAMSD_TS4 # request to SCWRL produces command: ulimit -t 210 ; scwrl3 -i /var/tmp/to_scwrl_1380090731.pdb -s /var/tmp/to_scwrl_1380090731.seq -o /var/tmp/from_scwrl_1380090731.pdb > /var/tmp/scwrl_1380090731.log sh: /var/tmp/scwrl_1380090731.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1380090731.pdb or /var/tmp/from_scwrl_1380090731.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1380090731_b.pdb or decoys//var/tmp/from_scwrl_1380090731_b.pdb.gz for input Trying /var/tmp/from_scwrl_1380090731_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1380090731_b.pdb or /var/tmp/from_scwrl_1380090731_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1380090731_a.pdb or decoys//var/tmp/from_scwrl_1380090731_a.pdb.gz for input Trying /var/tmp/from_scwrl_1380090731_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1380090731_a.pdb or /var/tmp/from_scwrl_1380090731_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1380090731.pdb or /var/tmp/from_scwrl_1380090731_b.pdb or /var/tmp/from_scwrl_1380090731_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 T0330 can't currently be optimized by undertaker # naming current conformation FAMSD_TS5 # request to SCWRL produces command: ulimit -t 210 ; scwrl3 -i /var/tmp/to_scwrl_1966747105.pdb -s /var/tmp/to_scwrl_1966747105.seq -o /var/tmp/from_scwrl_1966747105.pdb > /var/tmp/scwrl_1966747105.log sh: /var/tmp/scwrl_1966747105.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1966747105.pdb or /var/tmp/from_scwrl_1966747105.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1966747105_b.pdb or decoys//var/tmp/from_scwrl_1966747105_b.pdb.gz for input Trying /var/tmp/from_scwrl_1966747105_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1966747105_b.pdb or /var/tmp/from_scwrl_1966747105_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1966747105_a.pdb or decoys//var/tmp/from_scwrl_1966747105_a.pdb.gz for input Trying /var/tmp/from_scwrl_1966747105_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1966747105_a.pdb or /var/tmp/from_scwrl_1966747105_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1966747105.pdb or /var/tmp/from_scwrl_1966747105_b.pdb or /var/tmp/from_scwrl_1966747105_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 229 # copying to AlignedFragments data structure # naming current conformation FAMS_TS1 # request to SCWRL produces command: ulimit -t 210 ; scwrl3 -i /var/tmp/to_scwrl_1510374085.pdb -s /var/tmp/to_scwrl_1510374085.seq -o /var/tmp/from_scwrl_1510374085.pdb > /var/tmp/scwrl_1510374085.log sh: /var/tmp/scwrl_1510374085.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1510374085.pdb or /var/tmp/from_scwrl_1510374085.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1510374085_b.pdb or decoys//var/tmp/from_scwrl_1510374085_b.pdb.gz for input Trying /var/tmp/from_scwrl_1510374085_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1510374085_b.pdb or /var/tmp/from_scwrl_1510374085_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1510374085_a.pdb or decoys//var/tmp/from_scwrl_1510374085_a.pdb.gz for input Trying /var/tmp/from_scwrl_1510374085_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1510374085_a.pdb or /var/tmp/from_scwrl_1510374085_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1510374085.pdb or /var/tmp/from_scwrl_1510374085_b.pdb or /var/tmp/from_scwrl_1510374085_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 T0330 can't currently be optimized by undertaker # naming current conformation FAMS_TS2 # request to SCWRL produces command: ulimit -t 210 ; scwrl3 -i /var/tmp/to_scwrl_1486388323.pdb -s /var/tmp/to_scwrl_1486388323.seq -o /var/tmp/from_scwrl_1486388323.pdb > /var/tmp/scwrl_1486388323.log sh: /var/tmp/scwrl_1486388323.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1486388323.pdb or /var/tmp/from_scwrl_1486388323.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1486388323_b.pdb or decoys//var/tmp/from_scwrl_1486388323_b.pdb.gz for input Trying /var/tmp/from_scwrl_1486388323_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1486388323_b.pdb or /var/tmp/from_scwrl_1486388323_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1486388323_a.pdb or decoys//var/tmp/from_scwrl_1486388323_a.pdb.gz for input Trying /var/tmp/from_scwrl_1486388323_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1486388323_a.pdb or /var/tmp/from_scwrl_1486388323_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1486388323.pdb or /var/tmp/from_scwrl_1486388323_b.pdb or /var/tmp/from_scwrl_1486388323_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 # Found a chain break before 229 # copying to AlignedFragments data structure # naming current conformation FAMS_TS3 # request to SCWRL produces command: ulimit -t 210 ; scwrl3 -i /var/tmp/to_scwrl_2140410904.pdb -s /var/tmp/to_scwrl_2140410904.seq -o /var/tmp/from_scwrl_2140410904.pdb > /var/tmp/scwrl_2140410904.log sh: /var/tmp/scwrl_2140410904.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_2140410904.pdb or /var/tmp/from_scwrl_2140410904.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2140410904_b.pdb or decoys//var/tmp/from_scwrl_2140410904_b.pdb.gz for input Trying /var/tmp/from_scwrl_2140410904_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_2140410904_b.pdb or /var/tmp/from_scwrl_2140410904_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2140410904_a.pdb or decoys//var/tmp/from_scwrl_2140410904_a.pdb.gz for input Trying /var/tmp/from_scwrl_2140410904_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_2140410904_a.pdb or /var/tmp/from_scwrl_2140410904_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_2140410904.pdb or /var/tmp/from_scwrl_2140410904_b.pdb or /var/tmp/from_scwrl_2140410904_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 T0330 can't currently be optimized by undertaker # naming current conformation FAMS_TS4 # request to SCWRL produces command: ulimit -t 210 ; scwrl3 -i /var/tmp/to_scwrl_657876430.pdb -s /var/tmp/to_scwrl_657876430.seq -o /var/tmp/from_scwrl_657876430.pdb > /var/tmp/scwrl_657876430.log sh: /var/tmp/scwrl_657876430.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_657876430.pdb or /var/tmp/from_scwrl_657876430.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_657876430_b.pdb or decoys//var/tmp/from_scwrl_657876430_b.pdb.gz for input Trying /var/tmp/from_scwrl_657876430_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_657876430_b.pdb or /var/tmp/from_scwrl_657876430_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_657876430_a.pdb or decoys//var/tmp/from_scwrl_657876430_a.pdb.gz for input Trying /var/tmp/from_scwrl_657876430_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_657876430_a.pdb or /var/tmp/from_scwrl_657876430_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_657876430.pdb or /var/tmp/from_scwrl_657876430_b.pdb or /var/tmp/from_scwrl_657876430_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 T0330 can't currently be optimized by undertaker # naming current conformation FAMS_TS5 # request to SCWRL produces command: ulimit -t 210 ; scwrl3 -i /var/tmp/to_scwrl_1300608394.pdb -s /var/tmp/to_scwrl_1300608394.seq -o /var/tmp/from_scwrl_1300608394.pdb > /var/tmp/scwrl_1300608394.log sh: /var/tmp/scwrl_1300608394.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1300608394.pdb or /var/tmp/from_scwrl_1300608394.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1300608394_b.pdb or decoys//var/tmp/from_scwrl_1300608394_b.pdb.gz for input Trying /var/tmp/from_scwrl_1300608394_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1300608394_b.pdb or /var/tmp/from_scwrl_1300608394_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1300608394_a.pdb or decoys//var/tmp/from_scwrl_1300608394_a.pdb.gz for input Trying /var/tmp/from_scwrl_1300608394_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1300608394_a.pdb or /var/tmp/from_scwrl_1300608394_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1300608394.pdb or /var/tmp/from_scwrl_1300608394_b.pdb or /var/tmp/from_scwrl_1300608394_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 # naming current conformation FOLDpro_TS1 # request to SCWRL produces command: ulimit -t 210 ; scwrl3 -i /var/tmp/to_scwrl_1451795645.pdb -s /var/tmp/to_scwrl_1451795645.seq -o /var/tmp/from_scwrl_1451795645.pdb > /var/tmp/scwrl_1451795645.log sh: /var/tmp/scwrl_1451795645.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1451795645.pdb or /var/tmp/from_scwrl_1451795645.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1451795645_b.pdb or decoys//var/tmp/from_scwrl_1451795645_b.pdb.gz for input Trying /var/tmp/from_scwrl_1451795645_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1451795645_b.pdb or /var/tmp/from_scwrl_1451795645_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1451795645_a.pdb or decoys//var/tmp/from_scwrl_1451795645_a.pdb.gz for input Trying /var/tmp/from_scwrl_1451795645_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1451795645_a.pdb or /var/tmp/from_scwrl_1451795645_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1451795645.pdb or /var/tmp/from_scwrl_1451795645_b.pdb or /var/tmp/from_scwrl_1451795645_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 213 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS2 # request to SCWRL produces command: ulimit -t 210 ; scwrl3 -i /var/tmp/to_scwrl_284330977.pdb -s /var/tmp/to_scwrl_284330977.seq -o /var/tmp/from_scwrl_284330977.pdb > /var/tmp/scwrl_284330977.log sh: /var/tmp/scwrl_284330977.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_284330977.pdb or /var/tmp/from_scwrl_284330977.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_284330977_b.pdb or decoys//var/tmp/from_scwrl_284330977_b.pdb.gz for input Trying /var/tmp/from_scwrl_284330977_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_284330977_b.pdb or /var/tmp/from_scwrl_284330977_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_284330977_a.pdb or decoys//var/tmp/from_scwrl_284330977_a.pdb.gz for input Trying /var/tmp/from_scwrl_284330977_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_284330977_a.pdb or /var/tmp/from_scwrl_284330977_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_284330977.pdb or /var/tmp/from_scwrl_284330977_b.pdb or /var/tmp/from_scwrl_284330977_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 140 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS3 # request to SCWRL produces command: ulimit -t 210 ; scwrl3 -i /var/tmp/to_scwrl_268888970.pdb -s /var/tmp/to_scwrl_268888970.seq -o /var/tmp/from_scwrl_268888970.pdb > /var/tmp/scwrl_268888970.log sh: /var/tmp/scwrl_268888970.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_268888970.pdb or /var/tmp/from_scwrl_268888970.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_268888970_b.pdb or decoys//var/tmp/from_scwrl_268888970_b.pdb.gz for input Trying /var/tmp/from_scwrl_268888970_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_268888970_b.pdb or /var/tmp/from_scwrl_268888970_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_268888970_a.pdb or decoys//var/tmp/from_scwrl_268888970_a.pdb.gz for input Trying /var/tmp/from_scwrl_268888970_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_268888970_a.pdb or /var/tmp/from_scwrl_268888970_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_268888970.pdb or /var/tmp/from_scwrl_268888970_b.pdb or /var/tmp/from_scwrl_268888970_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 167 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS4 # request to SCWRL produces command: ulimit -t 210 ; scwrl3 -i /var/tmp/to_scwrl_712560314.pdb -s /var/tmp/to_scwrl_712560314.seq -o /var/tmp/from_scwrl_712560314.pdb > /var/tmp/scwrl_712560314.log sh: /var/tmp/scwrl_712560314.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_712560314.pdb or /var/tmp/from_scwrl_712560314.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_712560314_b.pdb or decoys//var/tmp/from_scwrl_712560314_b.pdb.gz for input Trying /var/tmp/from_scwrl_712560314_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_712560314_b.pdb or /var/tmp/from_scwrl_712560314_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_712560314_a.pdb or decoys//var/tmp/from_scwrl_712560314_a.pdb.gz for input Trying /var/tmp/from_scwrl_712560314_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_712560314_a.pdb or /var/tmp/from_scwrl_712560314_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_712560314.pdb or /var/tmp/from_scwrl_712560314_b.pdb or /var/tmp/from_scwrl_712560314_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 192 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS5 # request to SCWRL produces command: ulimit -t 210 ; scwrl3 -i /var/tmp/to_scwrl_586895900.pdb -s /var/tmp/to_scwrl_586895900.seq -o /var/tmp/from_scwrl_586895900.pdb > /var/tmp/scwrl_586895900.log sh: /var/tmp/scwrl_586895900.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_586895900.pdb or /var/tmp/from_scwrl_586895900.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_586895900_b.pdb or decoys//var/tmp/from_scwrl_586895900_b.pdb.gz for input Trying /var/tmp/from_scwrl_586895900_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_586895900_b.pdb or /var/tmp/from_scwrl_586895900_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_586895900_a.pdb or decoys//var/tmp/from_scwrl_586895900_a.pdb.gz for input Trying /var/tmp/from_scwrl_586895900_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_586895900_a.pdb or /var/tmp/from_scwrl_586895900_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_586895900.pdb or /var/tmp/from_scwrl_586895900_b.pdb or /var/tmp/from_scwrl_586895900_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 15, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL1.pdb.gz Skipped atom 328, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL1.pdb.gz # WARNING: incomplete conformation T0330 can't currently be optimized by undertaker # naming current conformation FORTE1_AL1 # request to SCWRL produces command: ulimit -t 210 ; scwrl3 -i /var/tmp/to_scwrl_738729183.pdb -s /var/tmp/to_scwrl_738729183.seq -o /var/tmp/from_scwrl_738729183.pdb > /var/tmp/scwrl_738729183.log sh: /var/tmp/scwrl_738729183.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_738729183.pdb or /var/tmp/from_scwrl_738729183.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_738729183_b.pdb or decoys//var/tmp/from_scwrl_738729183_b.pdb.gz for input Trying /var/tmp/from_scwrl_738729183_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_738729183_b.pdb or /var/tmp/from_scwrl_738729183_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_738729183_a.pdb or decoys//var/tmp/from_scwrl_738729183_a.pdb.gz for input Trying /var/tmp/from_scwrl_738729183_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_738729183_a.pdb or /var/tmp/from_scwrl_738729183_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_738729183.pdb or /var/tmp/from_scwrl_738729183_b.pdb or /var/tmp/from_scwrl_738729183_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 Skipped atom 38, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL2.pdb.gz Skipped atom 40, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL2.pdb.gz Skipped atom 42, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL2.pdb.gz Skipped atom 44, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL2.pdb.gz Skipped atom 102, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL2.pdb.gz Skipped atom 104, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL2.pdb.gz Skipped atom 106, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL2.pdb.gz Skipped atom 108, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL2.pdb.gz Skipped atom 206, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL2.pdb.gz Skipped atom 208, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL2.pdb.gz Skipped atom 210, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL2.pdb.gz Skipped atom 212, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL2.pdb.gz Skipped atom 262, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL2.pdb.gz Skipped atom 264, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL2.pdb.gz Skipped atom 266, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL2.pdb.gz Skipped atom 268, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL2.pdb.gz Skipped atom 506, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL2.pdb.gz Skipped atom 508, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL2.pdb.gz Skipped atom 510, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL2.pdb.gz Skipped atom 512, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL2.pdb.gz # WARNING: incomplete conformation T0330 can't currently be optimized by undertaker # naming current conformation FORTE1_AL2 # request to SCWRL produces command: ulimit -t 210 ; scwrl3 -i /var/tmp/to_scwrl_1037089816.pdb -s /var/tmp/to_scwrl_1037089816.seq -o /var/tmp/from_scwrl_1037089816.pdb > /var/tmp/scwrl_1037089816.log sh: /var/tmp/scwrl_1037089816.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1037089816.pdb or /var/tmp/from_scwrl_1037089816.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1037089816_b.pdb or decoys//var/tmp/from_scwrl_1037089816_b.pdb.gz for input Trying /var/tmp/from_scwrl_1037089816_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1037089816_b.pdb or /var/tmp/from_scwrl_1037089816_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1037089816_a.pdb or decoys//var/tmp/from_scwrl_1037089816_a.pdb.gz for input Trying /var/tmp/from_scwrl_1037089816_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1037089816_a.pdb or /var/tmp/from_scwrl_1037089816_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1037089816.pdb or /var/tmp/from_scwrl_1037089816_b.pdb or /var/tmp/from_scwrl_1037089816_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 T0330 can't currently be optimized by undertaker # naming current conformation FORTE1_AL3 # request to SCWRL produces command: ulimit -t 210 ; scwrl3 -i /var/tmp/to_scwrl_1291223248.pdb -s /var/tmp/to_scwrl_1291223248.seq -o /var/tmp/from_scwrl_1291223248.pdb > /var/tmp/scwrl_1291223248.log sh: /var/tmp/scwrl_1291223248.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1291223248.pdb or /var/tmp/from_scwrl_1291223248.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1291223248_b.pdb or decoys//var/tmp/from_scwrl_1291223248_b.pdb.gz for input Trying /var/tmp/from_scwrl_1291223248_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1291223248_b.pdb or /var/tmp/from_scwrl_1291223248_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1291223248_a.pdb or decoys//var/tmp/from_scwrl_1291223248_a.pdb.gz for input Trying /var/tmp/from_scwrl_1291223248_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1291223248_a.pdb or /var/tmp/from_scwrl_1291223248_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1291223248.pdb or /var/tmp/from_scwrl_1291223248_b.pdb or /var/tmp/from_scwrl_1291223248_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 Skipped atom 830, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz Skipped atom 832, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz Skipped atom 834, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz Skipped atom 836, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz Skipped atom 838, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz Skipped atom 840, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz Skipped atom 842, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz Skipped atom 844, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz Skipped atom 846, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz Skipped atom 848, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz Skipped atom 850, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz Skipped atom 852, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz Skipped atom 854, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz Skipped atom 856, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz Skipped atom 858, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz Skipped atom 860, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz Skipped atom 862, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz Skipped atom 864, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz Skipped atom 866, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz Skipped atom 868, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz Skipped atom 870, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz Skipped atom 872, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz Skipped atom 874, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz Skipped atom 876, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz # WARNING: incomplete conformation T0330 can't currently be optimized by undertaker # naming current conformation FORTE1_AL4 # request to SCWRL produces command: ulimit -t 210 ; scwrl3 -i /var/tmp/to_scwrl_590003305.pdb -s /var/tmp/to_scwrl_590003305.seq -o /var/tmp/from_scwrl_590003305.pdb > /var/tmp/scwrl_590003305.log sh: /var/tmp/scwrl_590003305.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_590003305.pdb or /var/tmp/from_scwrl_590003305.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_590003305_b.pdb or decoys//var/tmp/from_scwrl_590003305_b.pdb.gz for input Trying /var/tmp/from_scwrl_590003305_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_590003305_b.pdb or /var/tmp/from_scwrl_590003305_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_590003305_a.pdb or decoys//var/tmp/from_scwrl_590003305_a.pdb.gz for input Trying /var/tmp/from_scwrl_590003305_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_590003305_a.pdb or /var/tmp/from_scwrl_590003305_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_590003305.pdb or /var/tmp/from_scwrl_590003305_b.pdb or /var/tmp/from_scwrl_590003305_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 T0330 can't currently be optimized by undertaker # naming current conformation FORTE1_AL5 # request to SCWRL produces command: ulimit -t 210 ; scwrl3 -i /var/tmp/to_scwrl_2049713011.pdb -s /var/tmp/to_scwrl_2049713011.seq -o /var/tmp/from_scwrl_2049713011.pdb > /var/tmp/scwrl_2049713011.log sh: /var/tmp/scwrl_2049713011.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_2049713011.pdb or /var/tmp/from_scwrl_2049713011.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2049713011_b.pdb or decoys//var/tmp/from_scwrl_2049713011_b.pdb.gz for input Trying /var/tmp/from_scwrl_2049713011_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_2049713011_b.pdb or /var/tmp/from_scwrl_2049713011_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2049713011_a.pdb or decoys//var/tmp/from_scwrl_2049713011_a.pdb.gz for input Trying /var/tmp/from_scwrl_2049713011_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_2049713011_a.pdb or /var/tmp/from_scwrl_2049713011_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_2049713011.pdb or /var/tmp/from_scwrl_2049713011_b.pdb or /var/tmp/from_scwrl_2049713011_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 Skipped atom 15, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL1.pdb.gz Skipped atom 328, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL1.pdb.gz # WARNING: incomplete conformation T0330 can't currently be optimized by undertaker # naming current conformation FORTE2_AL1 # request to SCWRL produces command: ulimit -t 210 ; scwrl3 -i /var/tmp/to_scwrl_665886867.pdb -s /var/tmp/to_scwrl_665886867.seq -o /var/tmp/from_scwrl_665886867.pdb > /var/tmp/scwrl_665886867.log sh: /var/tmp/scwrl_665886867.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_665886867.pdb or /var/tmp/from_scwrl_665886867.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_665886867_b.pdb or decoys//var/tmp/from_scwrl_665886867_b.pdb.gz for input Trying /var/tmp/from_scwrl_665886867_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_665886867_b.pdb or /var/tmp/from_scwrl_665886867_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_665886867_a.pdb or decoys//var/tmp/from_scwrl_665886867_a.pdb.gz for input Trying /var/tmp/from_scwrl_665886867_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_665886867_a.pdb or /var/tmp/from_scwrl_665886867_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_665886867.pdb or /var/tmp/from_scwrl_665886867_b.pdb or /var/tmp/from_scwrl_665886867_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 206, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL2.pdb.gz Skipped atom 208, 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 262, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL2.pdb.gz Skipped atom 264, 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 506, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL2.pdb.gz Skipped atom 508, 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 # WARNING: incomplete conformation T0330 can't currently be optimized by undertaker # naming current conformation FORTE2_AL2 # request to SCWRL produces command: ulimit -t 210 ; scwrl3 -i /var/tmp/to_scwrl_1308482961.pdb -s /var/tmp/to_scwrl_1308482961.seq -o /var/tmp/from_scwrl_1308482961.pdb > /var/tmp/scwrl_1308482961.log sh: /var/tmp/scwrl_1308482961.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1308482961.pdb or /var/tmp/from_scwrl_1308482961.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1308482961_b.pdb or decoys//var/tmp/from_scwrl_1308482961_b.pdb.gz for input Trying /var/tmp/from_scwrl_1308482961_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1308482961_b.pdb or /var/tmp/from_scwrl_1308482961_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1308482961_a.pdb or decoys//var/tmp/from_scwrl_1308482961_a.pdb.gz for input Trying /var/tmp/from_scwrl_1308482961_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1308482961_a.pdb or /var/tmp/from_scwrl_1308482961_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1308482961.pdb or /var/tmp/from_scwrl_1308482961_b.pdb or /var/tmp/from_scwrl_1308482961_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 T0330 can't currently be optimized by undertaker # naming current conformation FORTE2_AL3 # request to SCWRL produces command: ulimit -t 210 ; scwrl3 -i /var/tmp/to_scwrl_767835463.pdb -s /var/tmp/to_scwrl_767835463.seq -o /var/tmp/from_scwrl_767835463.pdb > /var/tmp/scwrl_767835463.log sh: /var/tmp/scwrl_767835463.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_767835463.pdb or /var/tmp/from_scwrl_767835463.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_767835463_b.pdb or decoys//var/tmp/from_scwrl_767835463_b.pdb.gz for input Trying /var/tmp/from_scwrl_767835463_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_767835463_b.pdb or /var/tmp/from_scwrl_767835463_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_767835463_a.pdb or decoys//var/tmp/from_scwrl_767835463_a.pdb.gz for input Trying /var/tmp/from_scwrl_767835463_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_767835463_a.pdb or /var/tmp/from_scwrl_767835463_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_767835463.pdb or /var/tmp/from_scwrl_767835463_b.pdb or /var/tmp/from_scwrl_767835463_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 T0330 can't currently be optimized by undertaker # naming current conformation FORTE2_AL4 # request to SCWRL produces command: ulimit -t 210 ; scwrl3 -i /var/tmp/to_scwrl_386411804.pdb -s /var/tmp/to_scwrl_386411804.seq -o /var/tmp/from_scwrl_386411804.pdb > /var/tmp/scwrl_386411804.log sh: /var/tmp/scwrl_386411804.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_386411804.pdb or /var/tmp/from_scwrl_386411804.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_386411804_b.pdb or decoys//var/tmp/from_scwrl_386411804_b.pdb.gz for input Trying /var/tmp/from_scwrl_386411804_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_386411804_b.pdb or /var/tmp/from_scwrl_386411804_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_386411804_a.pdb or decoys//var/tmp/from_scwrl_386411804_a.pdb.gz for input Trying /var/tmp/from_scwrl_386411804_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_386411804_a.pdb or /var/tmp/from_scwrl_386411804_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_386411804.pdb or /var/tmp/from_scwrl_386411804_b.pdb or /var/tmp/from_scwrl_386411804_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 T0330 can't currently be optimized by undertaker # naming current conformation FORTE2_AL5 # request to SCWRL produces command: ulimit -t 210 ; scwrl3 -i /var/tmp/to_scwrl_1556817365.pdb -s /var/tmp/to_scwrl_1556817365.seq -o /var/tmp/from_scwrl_1556817365.pdb > /var/tmp/scwrl_1556817365.log sh: /var/tmp/scwrl_1556817365.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1556817365.pdb or /var/tmp/from_scwrl_1556817365.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1556817365_b.pdb or decoys//var/tmp/from_scwrl_1556817365_b.pdb.gz for input Trying /var/tmp/from_scwrl_1556817365_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1556817365_b.pdb or /var/tmp/from_scwrl_1556817365_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1556817365_a.pdb or decoys//var/tmp/from_scwrl_1556817365_a.pdb.gz for input Trying /var/tmp/from_scwrl_1556817365_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1556817365_a.pdb or /var/tmp/from_scwrl_1556817365_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1556817365.pdb or /var/tmp/from_scwrl_1556817365_b.pdb or /var/tmp/from_scwrl_1556817365_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 208 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS1 # request to SCWRL produces command: ulimit -t 210 ; scwrl3 -i /var/tmp/to_scwrl_407218409.pdb -s /var/tmp/to_scwrl_407218409.seq -o /var/tmp/from_scwrl_407218409.pdb > /var/tmp/scwrl_407218409.log sh: /var/tmp/scwrl_407218409.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_407218409.pdb or /var/tmp/from_scwrl_407218409.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_407218409_b.pdb or decoys//var/tmp/from_scwrl_407218409_b.pdb.gz for input Trying /var/tmp/from_scwrl_407218409_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_407218409_b.pdb or /var/tmp/from_scwrl_407218409_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_407218409_a.pdb or decoys//var/tmp/from_scwrl_407218409_a.pdb.gz for input Trying /var/tmp/from_scwrl_407218409_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_407218409_a.pdb or /var/tmp/from_scwrl_407218409_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_407218409.pdb or /var/tmp/from_scwrl_407218409_b.pdb or /var/tmp/from_scwrl_407218409_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 208 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS2 # request to SCWRL produces command: ulimit -t 210 ; scwrl3 -i /var/tmp/to_scwrl_1417644389.pdb -s /var/tmp/to_scwrl_1417644389.seq -o /var/tmp/from_scwrl_1417644389.pdb > /var/tmp/scwrl_1417644389.log sh: /var/tmp/scwrl_1417644389.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1417644389.pdb or /var/tmp/from_scwrl_1417644389.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1417644389_b.pdb or decoys//var/tmp/from_scwrl_1417644389_b.pdb.gz for input Trying /var/tmp/from_scwrl_1417644389_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1417644389_b.pdb or /var/tmp/from_scwrl_1417644389_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1417644389_a.pdb or decoys//var/tmp/from_scwrl_1417644389_a.pdb.gz for input Trying /var/tmp/from_scwrl_1417644389_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1417644389_a.pdb or /var/tmp/from_scwrl_1417644389_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1417644389.pdb or /var/tmp/from_scwrl_1417644389_b.pdb or /var/tmp/from_scwrl_1417644389_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 190 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS3 # request to SCWRL produces command: ulimit -t 210 ; scwrl3 -i /var/tmp/to_scwrl_1967102283.pdb -s /var/tmp/to_scwrl_1967102283.seq -o /var/tmp/from_scwrl_1967102283.pdb > /var/tmp/scwrl_1967102283.log sh: /var/tmp/scwrl_1967102283.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1967102283.pdb or /var/tmp/from_scwrl_1967102283.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1967102283_b.pdb or decoys//var/tmp/from_scwrl_1967102283_b.pdb.gz for input Trying /var/tmp/from_scwrl_1967102283_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1967102283_b.pdb or /var/tmp/from_scwrl_1967102283_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1967102283_a.pdb or decoys//var/tmp/from_scwrl_1967102283_a.pdb.gz for input Trying /var/tmp/from_scwrl_1967102283_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1967102283_a.pdb or /var/tmp/from_scwrl_1967102283_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1967102283.pdb or /var/tmp/from_scwrl_1967102283_b.pdb or /var/tmp/from_scwrl_1967102283_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 155 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS4 # request to SCWRL produces command: ulimit -t 210 ; scwrl3 -i /var/tmp/to_scwrl_12549206.pdb -s /var/tmp/to_scwrl_12549206.seq -o /var/tmp/from_scwrl_12549206.pdb > /var/tmp/scwrl_12549206.log sh: /var/tmp/scwrl_12549206.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_12549206.pdb or /var/tmp/from_scwrl_12549206.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_12549206_b.pdb or decoys//var/tmp/from_scwrl_12549206_b.pdb.gz for input Trying /var/tmp/from_scwrl_12549206_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_12549206_b.pdb or /var/tmp/from_scwrl_12549206_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_12549206_a.pdb or decoys//var/tmp/from_scwrl_12549206_a.pdb.gz for input Trying /var/tmp/from_scwrl_12549206_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_12549206_a.pdb or /var/tmp/from_scwrl_12549206_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_12549206.pdb or /var/tmp/from_scwrl_12549206_b.pdb or /var/tmp/from_scwrl_12549206_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 232 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS5 # request to SCWRL produces command: ulimit -t 210 ; scwrl3 -i /var/tmp/to_scwrl_890604981.pdb -s /var/tmp/to_scwrl_890604981.seq -o /var/tmp/from_scwrl_890604981.pdb > /var/tmp/scwrl_890604981.log sh: /var/tmp/scwrl_890604981.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_890604981.pdb or /var/tmp/from_scwrl_890604981.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_890604981_b.pdb or decoys//var/tmp/from_scwrl_890604981_b.pdb.gz for input Trying /var/tmp/from_scwrl_890604981_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_890604981_b.pdb or /var/tmp/from_scwrl_890604981_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_890604981_a.pdb or decoys//var/tmp/from_scwrl_890604981_a.pdb.gz for input Trying /var/tmp/from_scwrl_890604981_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_890604981_a.pdb or /var/tmp/from_scwrl_890604981_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_890604981.pdb or /var/tmp/from_scwrl_890604981_b.pdb or /var/tmp/from_scwrl_890604981_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 T0330 can't currently be optimized by undertaker # naming current conformation FUGMOD_TS1 # request to SCWRL produces command: ulimit -t 210 ; scwrl3 -i /var/tmp/to_scwrl_550736592.pdb -s /var/tmp/to_scwrl_550736592.seq -o /var/tmp/from_scwrl_550736592.pdb > /var/tmp/scwrl_550736592.log sh: /var/tmp/scwrl_550736592.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_550736592.pdb or /var/tmp/from_scwrl_550736592.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_550736592_b.pdb or decoys//var/tmp/from_scwrl_550736592_b.pdb.gz for input Trying /var/tmp/from_scwrl_550736592_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_550736592_b.pdb or /var/tmp/from_scwrl_550736592_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_550736592_a.pdb or decoys//var/tmp/from_scwrl_550736592_a.pdb.gz for input Trying /var/tmp/from_scwrl_550736592_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_550736592_a.pdb or /var/tmp/from_scwrl_550736592_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_550736592.pdb or /var/tmp/from_scwrl_550736592_b.pdb or /var/tmp/from_scwrl_550736592_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 T0330 can't currently be optimized by undertaker # naming current conformation FUGMOD_TS2 # request to SCWRL produces command: ulimit -t 210 ; scwrl3 -i /var/tmp/to_scwrl_908967834.pdb -s /var/tmp/to_scwrl_908967834.seq -o /var/tmp/from_scwrl_908967834.pdb > /var/tmp/scwrl_908967834.log sh: /var/tmp/scwrl_908967834.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_908967834.pdb or /var/tmp/from_scwrl_908967834.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_908967834_b.pdb or decoys//var/tmp/from_scwrl_908967834_b.pdb.gz for input Trying /var/tmp/from_scwrl_908967834_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_908967834_b.pdb or /var/tmp/from_scwrl_908967834_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_908967834_a.pdb or decoys//var/tmp/from_scwrl_908967834_a.pdb.gz for input Trying /var/tmp/from_scwrl_908967834_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_908967834_a.pdb or /var/tmp/from_scwrl_908967834_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_908967834.pdb or /var/tmp/from_scwrl_908967834_b.pdb or /var/tmp/from_scwrl_908967834_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 T0330 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FUGMOD_TS3 # request to SCWRL produces command: ulimit -t 210 ; scwrl3 -i /var/tmp/to_scwrl_1997125802.pdb -s /var/tmp/to_scwrl_1997125802.seq -o /var/tmp/from_scwrl_1997125802.pdb > /var/tmp/scwrl_1997125802.log sh: /var/tmp/scwrl_1997125802.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1997125802.pdb or /var/tmp/from_scwrl_1997125802.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1997125802_b.pdb or decoys//var/tmp/from_scwrl_1997125802_b.pdb.gz for input Trying /var/tmp/from_scwrl_1997125802_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1997125802_b.pdb or /var/tmp/from_scwrl_1997125802_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1997125802_a.pdb or decoys//var/tmp/from_scwrl_1997125802_a.pdb.gz for input Trying /var/tmp/from_scwrl_1997125802_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1997125802_a.pdb or /var/tmp/from_scwrl_1997125802_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1997125802.pdb or /var/tmp/from_scwrl_1997125802_b.pdb or /var/tmp/from_scwrl_1997125802_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 118 # copying to AlignedFragments data structure # naming current conformation FUGMOD_TS4 # request to SCWRL produces command: ulimit -t 210 ; scwrl3 -i /var/tmp/to_scwrl_388284892.pdb -s /var/tmp/to_scwrl_388284892.seq -o /var/tmp/from_scwrl_388284892.pdb > /var/tmp/scwrl_388284892.log sh: /var/tmp/scwrl_388284892.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_388284892.pdb or /var/tmp/from_scwrl_388284892.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_388284892_b.pdb or decoys//var/tmp/from_scwrl_388284892_b.pdb.gz for input Trying /var/tmp/from_scwrl_388284892_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_388284892_b.pdb or /var/tmp/from_scwrl_388284892_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_388284892_a.pdb or decoys//var/tmp/from_scwrl_388284892_a.pdb.gz for input Trying /var/tmp/from_scwrl_388284892_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_388284892_a.pdb or /var/tmp/from_scwrl_388284892_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_388284892.pdb or /var/tmp/from_scwrl_388284892_b.pdb or /var/tmp/from_scwrl_388284892_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 T0330 can't currently be optimized by undertaker # naming current conformation FUGMOD_TS5 # request to SCWRL produces command: ulimit -t 210 ; scwrl3 -i /var/tmp/to_scwrl_141574918.pdb -s /var/tmp/to_scwrl_141574918.seq -o /var/tmp/from_scwrl_141574918.pdb > /var/tmp/scwrl_141574918.log sh: /var/tmp/scwrl_141574918.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_141574918.pdb or /var/tmp/from_scwrl_141574918.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_141574918_b.pdb or decoys//var/tmp/from_scwrl_141574918_b.pdb.gz for input Trying /var/tmp/from_scwrl_141574918_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_141574918_b.pdb or /var/tmp/from_scwrl_141574918_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_141574918_a.pdb or decoys//var/tmp/from_scwrl_141574918_a.pdb.gz for input Trying /var/tmp/from_scwrl_141574918_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_141574918_a.pdb or /var/tmp/from_scwrl_141574918_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_141574918.pdb or /var/tmp/from_scwrl_141574918_b.pdb or /var/tmp/from_scwrl_141574918_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 T0330 can't currently be optimized by undertaker # naming current conformation FUGUE_AL1 # request to SCWRL produces command: ulimit -t 210 ; scwrl3 -i /var/tmp/to_scwrl_1816389261.pdb -s /var/tmp/to_scwrl_1816389261.seq -o /var/tmp/from_scwrl_1816389261.pdb > /var/tmp/scwrl_1816389261.log sh: /var/tmp/scwrl_1816389261.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1816389261.pdb or /var/tmp/from_scwrl_1816389261.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1816389261_b.pdb or decoys//var/tmp/from_scwrl_1816389261_b.pdb.gz for input Trying /var/tmp/from_scwrl_1816389261_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1816389261_b.pdb or /var/tmp/from_scwrl_1816389261_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1816389261_a.pdb or decoys//var/tmp/from_scwrl_1816389261_a.pdb.gz for input Trying /var/tmp/from_scwrl_1816389261_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1816389261_a.pdb or /var/tmp/from_scwrl_1816389261_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1816389261.pdb or /var/tmp/from_scwrl_1816389261_b.pdb or /var/tmp/from_scwrl_1816389261_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 T0330 can't currently be optimized by undertaker # naming current conformation FUGUE_AL2 # request to SCWRL produces command: ulimit -t 210 ; scwrl3 -i /var/tmp/to_scwrl_1898658977.pdb -s /var/tmp/to_scwrl_1898658977.seq -o /var/tmp/from_scwrl_1898658977.pdb > /var/tmp/scwrl_1898658977.log sh: /var/tmp/scwrl_1898658977.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1898658977.pdb or /var/tmp/from_scwrl_1898658977.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1898658977_b.pdb or decoys//var/tmp/from_scwrl_1898658977_b.pdb.gz for input Trying /var/tmp/from_scwrl_1898658977_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1898658977_b.pdb or /var/tmp/from_scwrl_1898658977_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1898658977_a.pdb or decoys//var/tmp/from_scwrl_1898658977_a.pdb.gz for input Trying /var/tmp/from_scwrl_1898658977_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1898658977_a.pdb or /var/tmp/from_scwrl_1898658977_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1898658977.pdb or /var/tmp/from_scwrl_1898658977_b.pdb or /var/tmp/from_scwrl_1898658977_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 T0330 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FUGUE_AL3 # request to SCWRL produces command: ulimit -t 210 ; scwrl3 -i /var/tmp/to_scwrl_1627963241.pdb -s /var/tmp/to_scwrl_1627963241.seq -o /var/tmp/from_scwrl_1627963241.pdb > /var/tmp/scwrl_1627963241.log sh: /var/tmp/scwrl_1627963241.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1627963241.pdb or /var/tmp/from_scwrl_1627963241.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1627963241_b.pdb or decoys//var/tmp/from_scwrl_1627963241_b.pdb.gz for input Trying /var/tmp/from_scwrl_1627963241_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1627963241_b.pdb or /var/tmp/from_scwrl_1627963241_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1627963241_a.pdb or decoys//var/tmp/from_scwrl_1627963241_a.pdb.gz for input Trying /var/tmp/from_scwrl_1627963241_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1627963241_a.pdb or /var/tmp/from_scwrl_1627963241_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1627963241.pdb or /var/tmp/from_scwrl_1627963241_b.pdb or /var/tmp/from_scwrl_1627963241_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 T0330 can't currently be optimized by undertaker # naming current conformation FUGUE_AL4 # request to SCWRL produces command: ulimit -t 210 ; scwrl3 -i /var/tmp/to_scwrl_1809316518.pdb -s /var/tmp/to_scwrl_1809316518.seq -o /var/tmp/from_scwrl_1809316518.pdb > /var/tmp/scwrl_1809316518.log sh: /var/tmp/scwrl_1809316518.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1809316518.pdb or /var/tmp/from_scwrl_1809316518.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1809316518_b.pdb or decoys//var/tmp/from_scwrl_1809316518_b.pdb.gz for input Trying /var/tmp/from_scwrl_1809316518_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1809316518_b.pdb or /var/tmp/from_scwrl_1809316518_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1809316518_a.pdb or decoys//var/tmp/from_scwrl_1809316518_a.pdb.gz for input Trying /var/tmp/from_scwrl_1809316518_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1809316518_a.pdb or /var/tmp/from_scwrl_1809316518_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1809316518.pdb or /var/tmp/from_scwrl_1809316518_b.pdb or /var/tmp/from_scwrl_1809316518_a.pdb Error: no new SCWRL conformation added # naming current conformation FUGUE_AL4-scwrl # ReadConformPDB reading from PDB file servers/FUGUE_AL5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0330 can't currently be optimized by undertaker # naming current conformation FUGUE_AL5 # request to SCWRL produces command: ulimit -t 210 ; scwrl3 -i /var/tmp/to_scwrl_409051761.pdb -s /var/tmp/to_scwrl_409051761.seq -o /var/tmp/from_scwrl_409051761.pdb > /var/tmp/scwrl_409051761.log sh: /var/tmp/scwrl_409051761.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_409051761.pdb or /var/tmp/from_scwrl_409051761.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_409051761_b.pdb or decoys//var/tmp/from_scwrl_409051761_b.pdb.gz for input Trying /var/tmp/from_scwrl_409051761_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_409051761_b.pdb or /var/tmp/from_scwrl_409051761_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_409051761_a.pdb or decoys//var/tmp/from_scwrl_409051761_a.pdb.gz for input Trying /var/tmp/from_scwrl_409051761_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_409051761_a.pdb or /var/tmp/from_scwrl_409051761_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_409051761.pdb or /var/tmp/from_scwrl_409051761_b.pdb or /var/tmp/from_scwrl_409051761_a.pdb Error: no new SCWRL conformation added # naming current conformation FUGUE_AL5-scwrl # ReadConformPDB reading from PDB file servers/FUNCTION_TS1.pdb.gz looking for model 1 # Found a chain break before 229 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS1 # request to SCWRL produces command: ulimit -t 210 ; scwrl3 -i /var/tmp/to_scwrl_781087989.pdb -s /var/tmp/to_scwrl_781087989.seq -o /var/tmp/from_scwrl_781087989.pdb > /var/tmp/scwrl_781087989.log sh: /var/tmp/scwrl_781087989.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_781087989.pdb or /var/tmp/from_scwrl_781087989.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_781087989_b.pdb or decoys//var/tmp/from_scwrl_781087989_b.pdb.gz for input Trying /var/tmp/from_scwrl_781087989_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_781087989_b.pdb or /var/tmp/from_scwrl_781087989_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_781087989_a.pdb or decoys//var/tmp/from_scwrl_781087989_a.pdb.gz for input Trying /var/tmp/from_scwrl_781087989_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_781087989_a.pdb or /var/tmp/from_scwrl_781087989_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_781087989.pdb or /var/tmp/from_scwrl_781087989_b.pdb or /var/tmp/from_scwrl_781087989_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 229 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS2 # request to SCWRL produces command: ulimit -t 210 ; scwrl3 -i /var/tmp/to_scwrl_1113628516.pdb -s /var/tmp/to_scwrl_1113628516.seq -o /var/tmp/from_scwrl_1113628516.pdb > /var/tmp/scwrl_1113628516.log sh: /var/tmp/scwrl_1113628516.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1113628516.pdb or /var/tmp/from_scwrl_1113628516.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1113628516_b.pdb or decoys//var/tmp/from_scwrl_1113628516_b.pdb.gz for input Trying /var/tmp/from_scwrl_1113628516_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1113628516_b.pdb or /var/tmp/from_scwrl_1113628516_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1113628516_a.pdb or decoys//var/tmp/from_scwrl_1113628516_a.pdb.gz for input Trying /var/tmp/from_scwrl_1113628516_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1113628516_a.pdb or /var/tmp/from_scwrl_1113628516_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1113628516.pdb or /var/tmp/from_scwrl_1113628516_b.pdb or /var/tmp/from_scwrl_1113628516_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 229 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS3 # request to SCWRL produces command: ulimit -t 210 ; scwrl3 -i /var/tmp/to_scwrl_693382738.pdb -s /var/tmp/to_scwrl_693382738.seq -o /var/tmp/from_scwrl_693382738.pdb > /var/tmp/scwrl_693382738.log sh: /var/tmp/scwrl_693382738.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_693382738.pdb or /var/tmp/from_scwrl_693382738.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_693382738_b.pdb or decoys//var/tmp/from_scwrl_693382738_b.pdb.gz for input Trying /var/tmp/from_scwrl_693382738_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_693382738_b.pdb or /var/tmp/from_scwrl_693382738_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_693382738_a.pdb or decoys//var/tmp/from_scwrl_693382738_a.pdb.gz for input Trying /var/tmp/from_scwrl_693382738_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_693382738_a.pdb or /var/tmp/from_scwrl_693382738_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_693382738.pdb or /var/tmp/from_scwrl_693382738_b.pdb or /var/tmp/from_scwrl_693382738_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 229 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS4 # request to SCWRL produces command: ulimit -t 210 ; scwrl3 -i /var/tmp/to_scwrl_1049976960.pdb -s /var/tmp/to_scwrl_1049976960.seq -o /var/tmp/from_scwrl_1049976960.pdb > /var/tmp/scwrl_1049976960.log sh: /var/tmp/scwrl_1049976960.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1049976960.pdb or /var/tmp/from_scwrl_1049976960.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1049976960_b.pdb or decoys//var/tmp/from_scwrl_1049976960_b.pdb.gz for input Trying /var/tmp/from_scwrl_1049976960_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1049976960_b.pdb or /var/tmp/from_scwrl_1049976960_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1049976960_a.pdb or decoys//var/tmp/from_scwrl_1049976960_a.pdb.gz for input Trying /var/tmp/from_scwrl_1049976960_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1049976960_a.pdb or /var/tmp/from_scwrl_1049976960_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1049976960.pdb or /var/tmp/from_scwrl_1049976960_b.pdb or /var/tmp/from_scwrl_1049976960_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 232 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS5 # request to SCWRL produces command: ulimit -t 210 ; scwrl3 -i /var/tmp/to_scwrl_1826188830.pdb -s /var/tmp/to_scwrl_1826188830.seq -o /var/tmp/from_scwrl_1826188830.pdb > /var/tmp/scwrl_1826188830.log sh: /var/tmp/scwrl_1826188830.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1826188830.pdb or /var/tmp/from_scwrl_1826188830.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1826188830_b.pdb or decoys//var/tmp/from_scwrl_1826188830_b.pdb.gz for input Trying /var/tmp/from_scwrl_1826188830_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1826188830_b.pdb or /var/tmp/from_scwrl_1826188830_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1826188830_a.pdb or decoys//var/tmp/from_scwrl_1826188830_a.pdb.gz for input Trying /var/tmp/from_scwrl_1826188830_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1826188830_a.pdb or /var/tmp/from_scwrl_1826188830_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1826188830.pdb or /var/tmp/from_scwrl_1826188830_b.pdb or /var/tmp/from_scwrl_1826188830_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 215 # copying to AlignedFragments data structure # naming current conformation Frankenstein_TS1 # request to SCWRL produces command: ulimit -t 210 ; scwrl3 -i /var/tmp/to_scwrl_1280278637.pdb -s /var/tmp/to_scwrl_1280278637.seq -o /var/tmp/from_scwrl_1280278637.pdb > /var/tmp/scwrl_1280278637.log sh: /var/tmp/scwrl_1280278637.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1280278637.pdb or /var/tmp/from_scwrl_1280278637.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1280278637_b.pdb or decoys//var/tmp/from_scwrl_1280278637_b.pdb.gz for input Trying /var/tmp/from_scwrl_1280278637_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1280278637_b.pdb or /var/tmp/from_scwrl_1280278637_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1280278637_a.pdb or decoys//var/tmp/from_scwrl_1280278637_a.pdb.gz for input Trying /var/tmp/from_scwrl_1280278637_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1280278637_a.pdb or /var/tmp/from_scwrl_1280278637_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1280278637.pdb or /var/tmp/from_scwrl_1280278637_b.pdb or /var/tmp/from_scwrl_1280278637_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 211 # copying to AlignedFragments data structure # naming current conformation Frankenstein_TS2 # request to SCWRL produces command: ulimit -t 210 ; scwrl3 -i /var/tmp/to_scwrl_1788706142.pdb -s /var/tmp/to_scwrl_1788706142.seq -o /var/tmp/from_scwrl_1788706142.pdb > /var/tmp/scwrl_1788706142.log sh: /var/tmp/scwrl_1788706142.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1788706142.pdb or /var/tmp/from_scwrl_1788706142.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1788706142_b.pdb or decoys//var/tmp/from_scwrl_1788706142_b.pdb.gz for input Trying /var/tmp/from_scwrl_1788706142_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1788706142_b.pdb or /var/tmp/from_scwrl_1788706142_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1788706142_a.pdb or decoys//var/tmp/from_scwrl_1788706142_a.pdb.gz for input Trying /var/tmp/from_scwrl_1788706142_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1788706142_a.pdb or /var/tmp/from_scwrl_1788706142_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1788706142.pdb or /var/tmp/from_scwrl_1788706142_b.pdb or /var/tmp/from_scwrl_1788706142_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 190 # copying to AlignedFragments data structure # naming current conformation Frankenstein_TS3 # request to SCWRL produces command: ulimit -t 210 ; scwrl3 -i /var/tmp/to_scwrl_715794999.pdb -s /var/tmp/to_scwrl_715794999.seq -o /var/tmp/from_scwrl_715794999.pdb > /var/tmp/scwrl_715794999.log sh: /var/tmp/scwrl_715794999.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_715794999.pdb or /var/tmp/from_scwrl_715794999.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_715794999_b.pdb or decoys//var/tmp/from_scwrl_715794999_b.pdb.gz for input Trying /var/tmp/from_scwrl_715794999_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_715794999_b.pdb or /var/tmp/from_scwrl_715794999_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_715794999_a.pdb or decoys//var/tmp/from_scwrl_715794999_a.pdb.gz for input Trying /var/tmp/from_scwrl_715794999_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_715794999_a.pdb or /var/tmp/from_scwrl_715794999_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_715794999.pdb or /var/tmp/from_scwrl_715794999_b.pdb or /var/tmp/from_scwrl_715794999_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 191 # copying to AlignedFragments data structure # naming current conformation Frankenstein_TS4 # request to SCWRL produces command: ulimit -t 210 ; scwrl3 -i /var/tmp/to_scwrl_424018239.pdb -s /var/tmp/to_scwrl_424018239.seq -o /var/tmp/from_scwrl_424018239.pdb > /var/tmp/scwrl_424018239.log sh: /var/tmp/scwrl_424018239.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_424018239.pdb or /var/tmp/from_scwrl_424018239.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_424018239_b.pdb or decoys//var/tmp/from_scwrl_424018239_b.pdb.gz for input Trying /var/tmp/from_scwrl_424018239_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_424018239_b.pdb or /var/tmp/from_scwrl_424018239_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_424018239_a.pdb or decoys//var/tmp/from_scwrl_424018239_a.pdb.gz for input Trying /var/tmp/from_scwrl_424018239_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_424018239_a.pdb or /var/tmp/from_scwrl_424018239_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_424018239.pdb or /var/tmp/from_scwrl_424018239_b.pdb or /var/tmp/from_scwrl_424018239_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 206 # copying to AlignedFragments data structure # naming current conformation Frankenstein_TS5 # request to SCWRL produces command: ulimit -t 210 ; scwrl3 -i /var/tmp/to_scwrl_231225801.pdb -s /var/tmp/to_scwrl_231225801.seq -o /var/tmp/from_scwrl_231225801.pdb > /var/tmp/scwrl_231225801.log sh: /var/tmp/scwrl_231225801.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_231225801.pdb or /var/tmp/from_scwrl_231225801.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_231225801_b.pdb or decoys//var/tmp/from_scwrl_231225801_b.pdb.gz for input Trying /var/tmp/from_scwrl_231225801_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_231225801_b.pdb or /var/tmp/from_scwrl_231225801_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_231225801_a.pdb or decoys//var/tmp/from_scwrl_231225801_a.pdb.gz for input Trying /var/tmp/from_scwrl_231225801_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_231225801_a.pdb or /var/tmp/from_scwrl_231225801_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_231225801.pdb or /var/tmp/from_scwrl_231225801_b.pdb or /var/tmp/from_scwrl_231225801_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 147 # copying to AlignedFragments data structure # naming current conformation GeneSilicoMetaServer_TS1 # request to SCWRL produces command: ulimit -t 210 ; scwrl3 -i /var/tmp/to_scwrl_618024363.pdb -s /var/tmp/to_scwrl_618024363.seq -o /var/tmp/from_scwrl_618024363.pdb > /var/tmp/scwrl_618024363.log sh: /var/tmp/scwrl_618024363.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_618024363.pdb or /var/tmp/from_scwrl_618024363.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_618024363_b.pdb or decoys//var/tmp/from_scwrl_618024363_b.pdb.gz for input Trying /var/tmp/from_scwrl_618024363_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_618024363_b.pdb or /var/tmp/from_scwrl_618024363_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_618024363_a.pdb or decoys//var/tmp/from_scwrl_618024363_a.pdb.gz for input Trying /var/tmp/from_scwrl_618024363_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_618024363_a.pdb or /var/tmp/from_scwrl_618024363_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_618024363.pdb or /var/tmp/from_scwrl_618024363_b.pdb or /var/tmp/from_scwrl_618024363_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 # WARNING: incomplete conformation T0330 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation GeneSilicoMetaServer_TS2 # request to SCWRL produces command: ulimit -t 210 ; scwrl3 -i /var/tmp/to_scwrl_1089905106.pdb -s /var/tmp/to_scwrl_1089905106.seq -o /var/tmp/from_scwrl_1089905106.pdb > /var/tmp/scwrl_1089905106.log sh: /var/tmp/scwrl_1089905106.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1089905106.pdb or /var/tmp/from_scwrl_1089905106.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1089905106_b.pdb or decoys//var/tmp/from_scwrl_1089905106_b.pdb.gz for input Trying /var/tmp/from_scwrl_1089905106_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1089905106_b.pdb or /var/tmp/from_scwrl_1089905106_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1089905106_a.pdb or decoys//var/tmp/from_scwrl_1089905106_a.pdb.gz for input Trying /var/tmp/from_scwrl_1089905106_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1089905106_a.pdb or /var/tmp/from_scwrl_1089905106_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1089905106.pdb or /var/tmp/from_scwrl_1089905106_b.pdb or /var/tmp/from_scwrl_1089905106_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 # WARNING: incomplete conformation T0330 can't currently be optimized by undertaker # naming current conformation GeneSilicoMetaServer_TS3 # request to SCWRL produces command: ulimit -t 210 ; scwrl3 -i /var/tmp/to_scwrl_1539708762.pdb -s /var/tmp/to_scwrl_1539708762.seq -o /var/tmp/from_scwrl_1539708762.pdb > /var/tmp/scwrl_1539708762.log sh: /var/tmp/scwrl_1539708762.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1539708762.pdb or /var/tmp/from_scwrl_1539708762.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1539708762_b.pdb or decoys//var/tmp/from_scwrl_1539708762_b.pdb.gz for input Trying /var/tmp/from_scwrl_1539708762_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1539708762_b.pdb or /var/tmp/from_scwrl_1539708762_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1539708762_a.pdb or decoys//var/tmp/from_scwrl_1539708762_a.pdb.gz for input Trying /var/tmp/from_scwrl_1539708762_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1539708762_a.pdb or /var/tmp/from_scwrl_1539708762_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1539708762.pdb or /var/tmp/from_scwrl_1539708762_b.pdb or /var/tmp/from_scwrl_1539708762_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 T0330 can't currently be optimized by undertaker # naming current conformation GeneSilicoMetaServer_TS4 # request to SCWRL produces command: ulimit -t 210 ; scwrl3 -i /var/tmp/to_scwrl_1385859826.pdb -s /var/tmp/to_scwrl_1385859826.seq -o /var/tmp/from_scwrl_1385859826.pdb > /var/tmp/scwrl_1385859826.log sh: /var/tmp/scwrl_1385859826.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1385859826.pdb or /var/tmp/from_scwrl_1385859826.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1385859826_b.pdb or decoys//var/tmp/from_scwrl_1385859826_b.pdb.gz for input Trying /var/tmp/from_scwrl_1385859826_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1385859826_b.pdb or /var/tmp/from_scwrl_1385859826_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1385859826_a.pdb or decoys//var/tmp/from_scwrl_1385859826_a.pdb.gz for input Trying /var/tmp/from_scwrl_1385859826_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1385859826_a.pdb or /var/tmp/from_scwrl_1385859826_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1385859826.pdb or /var/tmp/from_scwrl_1385859826_b.pdb or /var/tmp/from_scwrl_1385859826_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 161 # copying to AlignedFragments data structure # naming current conformation GeneSilicoMetaServer_TS5 # request to SCWRL produces command: ulimit -t 210 ; scwrl3 -i /var/tmp/to_scwrl_1476316910.pdb -s /var/tmp/to_scwrl_1476316910.seq -o /var/tmp/from_scwrl_1476316910.pdb > /var/tmp/scwrl_1476316910.log sh: /var/tmp/scwrl_1476316910.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1476316910.pdb or /var/tmp/from_scwrl_1476316910.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1476316910_b.pdb or decoys//var/tmp/from_scwrl_1476316910_b.pdb.gz for input Trying /var/tmp/from_scwrl_1476316910_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1476316910_b.pdb or /var/tmp/from_scwrl_1476316910_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1476316910_a.pdb or decoys//var/tmp/from_scwrl_1476316910_a.pdb.gz for input Trying /var/tmp/from_scwrl_1476316910_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1476316910_a.pdb or /var/tmp/from_scwrl_1476316910_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1476316910.pdb or /var/tmp/from_scwrl_1476316910_b.pdb or /var/tmp/from_scwrl_1476316910_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 209 # copying to AlignedFragments data structure # naming current conformation HHpred1_TS1 # request to SCWRL produces command: ulimit -t 210 ; scwrl3 -i /var/tmp/to_scwrl_949042482.pdb -s /var/tmp/to_scwrl_949042482.seq -o /var/tmp/from_scwrl_949042482.pdb > /var/tmp/scwrl_949042482.log sh: /var/tmp/scwrl_949042482.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_949042482.pdb or /var/tmp/from_scwrl_949042482.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_949042482_b.pdb or decoys//var/tmp/from_scwrl_949042482_b.pdb.gz for input Trying /var/tmp/from_scwrl_949042482_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_949042482_b.pdb or /var/tmp/from_scwrl_949042482_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_949042482_a.pdb or decoys//var/tmp/from_scwrl_949042482_a.pdb.gz for input Trying /var/tmp/from_scwrl_949042482_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_949042482_a.pdb or /var/tmp/from_scwrl_949042482_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_949042482.pdb or /var/tmp/from_scwrl_949042482_b.pdb or /var/tmp/from_scwrl_949042482_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 161 # copying to AlignedFragments data structure # naming current conformation HHpred2_TS1 # request to SCWRL produces command: ulimit -t 210 ; scwrl3 -i /var/tmp/to_scwrl_1793078235.pdb -s /var/tmp/to_scwrl_1793078235.seq -o /var/tmp/from_scwrl_1793078235.pdb > /var/tmp/scwrl_1793078235.log sh: /var/tmp/scwrl_1793078235.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1793078235.pdb or /var/tmp/from_scwrl_1793078235.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1793078235_b.pdb or decoys//var/tmp/from_scwrl_1793078235_b.pdb.gz for input Trying /var/tmp/from_scwrl_1793078235_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1793078235_b.pdb or /var/tmp/from_scwrl_1793078235_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1793078235_a.pdb or decoys//var/tmp/from_scwrl_1793078235_a.pdb.gz for input Trying /var/tmp/from_scwrl_1793078235_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1793078235_a.pdb or /var/tmp/from_scwrl_1793078235_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1793078235.pdb or /var/tmp/from_scwrl_1793078235_b.pdb or /var/tmp/from_scwrl_1793078235_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 149 # copying to AlignedFragments data structure # naming current conformation HHpred3_TS1 # request to SCWRL produces command: ulimit -t 210 ; scwrl3 -i /var/tmp/to_scwrl_746477654.pdb -s /var/tmp/to_scwrl_746477654.seq -o /var/tmp/from_scwrl_746477654.pdb > /var/tmp/scwrl_746477654.log sh: /var/tmp/scwrl_746477654.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_746477654.pdb or /var/tmp/from_scwrl_746477654.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_746477654_b.pdb or decoys//var/tmp/from_scwrl_746477654_b.pdb.gz for input Trying /var/tmp/from_scwrl_746477654_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_746477654_b.pdb or /var/tmp/from_scwrl_746477654_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_746477654_a.pdb or decoys//var/tmp/from_scwrl_746477654_a.pdb.gz for input Trying /var/tmp/from_scwrl_746477654_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_746477654_a.pdb or /var/tmp/from_scwrl_746477654_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_746477654.pdb or /var/tmp/from_scwrl_746477654_b.pdb or /var/tmp/from_scwrl_746477654_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 T0330 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS1 # request to SCWRL produces command: ulimit -t 210 ; scwrl3 -i /var/tmp/to_scwrl_768661118.pdb -s /var/tmp/to_scwrl_768661118.seq -o /var/tmp/from_scwrl_768661118.pdb > /var/tmp/scwrl_768661118.log sh: /var/tmp/scwrl_768661118.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_768661118.pdb or /var/tmp/from_scwrl_768661118.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_768661118_b.pdb or decoys//var/tmp/from_scwrl_768661118_b.pdb.gz for input Trying /var/tmp/from_scwrl_768661118_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_768661118_b.pdb or /var/tmp/from_scwrl_768661118_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_768661118_a.pdb or decoys//var/tmp/from_scwrl_768661118_a.pdb.gz for input Trying /var/tmp/from_scwrl_768661118_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_768661118_a.pdb or /var/tmp/from_scwrl_768661118_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_768661118.pdb or /var/tmp/from_scwrl_768661118_b.pdb or /var/tmp/from_scwrl_768661118_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 T0330 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS2 # request to SCWRL produces command: ulimit -t 210 ; scwrl3 -i /var/tmp/to_scwrl_1805627441.pdb -s /var/tmp/to_scwrl_1805627441.seq -o /var/tmp/from_scwrl_1805627441.pdb > /var/tmp/scwrl_1805627441.log sh: /var/tmp/scwrl_1805627441.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1805627441.pdb or /var/tmp/from_scwrl_1805627441.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1805627441_b.pdb or decoys//var/tmp/from_scwrl_1805627441_b.pdb.gz for input Trying /var/tmp/from_scwrl_1805627441_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1805627441_b.pdb or /var/tmp/from_scwrl_1805627441_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1805627441_a.pdb or decoys//var/tmp/from_scwrl_1805627441_a.pdb.gz for input Trying /var/tmp/from_scwrl_1805627441_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1805627441_a.pdb or /var/tmp/from_scwrl_1805627441_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1805627441.pdb or /var/tmp/from_scwrl_1805627441_b.pdb or /var/tmp/from_scwrl_1805627441_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 T0330 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS3 # request to SCWRL produces command: ulimit -t 210 ; scwrl3 -i /var/tmp/to_scwrl_1637082634.pdb -s /var/tmp/to_scwrl_1637082634.seq -o /var/tmp/from_scwrl_1637082634.pdb > /var/tmp/scwrl_1637082634.log sh: /var/tmp/scwrl_1637082634.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1637082634.pdb or /var/tmp/from_scwrl_1637082634.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1637082634_b.pdb or decoys//var/tmp/from_scwrl_1637082634_b.pdb.gz for input Trying /var/tmp/from_scwrl_1637082634_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1637082634_b.pdb or /var/tmp/from_scwrl_1637082634_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1637082634_a.pdb or decoys//var/tmp/from_scwrl_1637082634_a.pdb.gz for input Trying /var/tmp/from_scwrl_1637082634_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1637082634_a.pdb or /var/tmp/from_scwrl_1637082634_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1637082634.pdb or /var/tmp/from_scwrl_1637082634_b.pdb or /var/tmp/from_scwrl_1637082634_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 T0330 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS4 # request to SCWRL produces command: ulimit -t 210 ; scwrl3 -i /var/tmp/to_scwrl_1319397710.pdb -s /var/tmp/to_scwrl_1319397710.seq -o /var/tmp/from_scwrl_1319397710.pdb > /var/tmp/scwrl_1319397710.log sh: /var/tmp/scwrl_1319397710.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1319397710.pdb or /var/tmp/from_scwrl_1319397710.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1319397710_b.pdb or decoys//var/tmp/from_scwrl_1319397710_b.pdb.gz for input Trying /var/tmp/from_scwrl_1319397710_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1319397710_b.pdb or /var/tmp/from_scwrl_1319397710_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1319397710_a.pdb or decoys//var/tmp/from_scwrl_1319397710_a.pdb.gz for input Trying /var/tmp/from_scwrl_1319397710_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1319397710_a.pdb or /var/tmp/from_scwrl_1319397710_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1319397710.pdb or /var/tmp/from_scwrl_1319397710_b.pdb or /var/tmp/from_scwrl_1319397710_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 T0330 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS5 # request to SCWRL produces command: ulimit -t 210 ; scwrl3 -i /var/tmp/to_scwrl_567111628.pdb -s /var/tmp/to_scwrl_567111628.seq -o /var/tmp/from_scwrl_567111628.pdb > /var/tmp/scwrl_567111628.log sh: /var/tmp/scwrl_567111628.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_567111628.pdb or /var/tmp/from_scwrl_567111628.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_567111628_b.pdb or decoys//var/tmp/from_scwrl_567111628_b.pdb.gz for input Trying /var/tmp/from_scwrl_567111628_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_567111628_b.pdb or /var/tmp/from_scwrl_567111628_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_567111628_a.pdb or decoys//var/tmp/from_scwrl_567111628_a.pdb.gz for input Trying /var/tmp/from_scwrl_567111628_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_567111628_a.pdb or /var/tmp/from_scwrl_567111628_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_567111628.pdb or /var/tmp/from_scwrl_567111628_b.pdb or /var/tmp/from_scwrl_567111628_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 T0330 can't currently be optimized by undertaker # naming current conformation LOOPP_TS1 # request to SCWRL produces command: ulimit -t 210 ; scwrl3 -i /var/tmp/to_scwrl_1486724790.pdb -s /var/tmp/to_scwrl_1486724790.seq -o /var/tmp/from_scwrl_1486724790.pdb > /var/tmp/scwrl_1486724790.log sh: /var/tmp/scwrl_1486724790.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1486724790.pdb or /var/tmp/from_scwrl_1486724790.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1486724790_b.pdb or decoys//var/tmp/from_scwrl_1486724790_b.pdb.gz for input Trying /var/tmp/from_scwrl_1486724790_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1486724790_b.pdb or /var/tmp/from_scwrl_1486724790_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1486724790_a.pdb or decoys//var/tmp/from_scwrl_1486724790_a.pdb.gz for input Trying /var/tmp/from_scwrl_1486724790_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1486724790_a.pdb or /var/tmp/from_scwrl_1486724790_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1486724790.pdb or /var/tmp/from_scwrl_1486724790_b.pdb or /var/tmp/from_scwrl_1486724790_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 T0330 can't currently be optimized by undertaker # naming current conformation LOOPP_TS2 # request to SCWRL produces command: ulimit -t 210 ; scwrl3 -i /var/tmp/to_scwrl_1707682602.pdb -s /var/tmp/to_scwrl_1707682602.seq -o /var/tmp/from_scwrl_1707682602.pdb > /var/tmp/scwrl_1707682602.log sh: /var/tmp/scwrl_1707682602.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1707682602.pdb or /var/tmp/from_scwrl_1707682602.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1707682602_b.pdb or decoys//var/tmp/from_scwrl_1707682602_b.pdb.gz for input Trying /var/tmp/from_scwrl_1707682602_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1707682602_b.pdb or /var/tmp/from_scwrl_1707682602_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1707682602_a.pdb or decoys//var/tmp/from_scwrl_1707682602_a.pdb.gz for input Trying /var/tmp/from_scwrl_1707682602_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1707682602_a.pdb or /var/tmp/from_scwrl_1707682602_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1707682602.pdb or /var/tmp/from_scwrl_1707682602_b.pdb or /var/tmp/from_scwrl_1707682602_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 T0330 can't currently be optimized by undertaker # naming current conformation LOOPP_TS3 # request to SCWRL produces command: ulimit -t 210 ; scwrl3 -i /var/tmp/to_scwrl_708686546.pdb -s /var/tmp/to_scwrl_708686546.seq -o /var/tmp/from_scwrl_708686546.pdb > /var/tmp/scwrl_708686546.log sh: /var/tmp/scwrl_708686546.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_708686546.pdb or /var/tmp/from_scwrl_708686546.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_708686546_b.pdb or decoys//var/tmp/from_scwrl_708686546_b.pdb.gz for input Trying /var/tmp/from_scwrl_708686546_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_708686546_b.pdb or /var/tmp/from_scwrl_708686546_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_708686546_a.pdb or decoys//var/tmp/from_scwrl_708686546_a.pdb.gz for input Trying /var/tmp/from_scwrl_708686546_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_708686546_a.pdb or /var/tmp/from_scwrl_708686546_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_708686546.pdb or /var/tmp/from_scwrl_708686546_b.pdb or /var/tmp/from_scwrl_708686546_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 T0330 can't currently be optimized by undertaker # naming current conformation LOOPP_TS4 # request to SCWRL produces command: ulimit -t 210 ; scwrl3 -i /var/tmp/to_scwrl_1155630404.pdb -s /var/tmp/to_scwrl_1155630404.seq -o /var/tmp/from_scwrl_1155630404.pdb > /var/tmp/scwrl_1155630404.log sh: /var/tmp/scwrl_1155630404.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1155630404.pdb or /var/tmp/from_scwrl_1155630404.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1155630404_b.pdb or decoys//var/tmp/from_scwrl_1155630404_b.pdb.gz for input Trying /var/tmp/from_scwrl_1155630404_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1155630404_b.pdb or /var/tmp/from_scwrl_1155630404_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1155630404_a.pdb or decoys//var/tmp/from_scwrl_1155630404_a.pdb.gz for input Trying /var/tmp/from_scwrl_1155630404_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1155630404_a.pdb or /var/tmp/from_scwrl_1155630404_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1155630404.pdb or /var/tmp/from_scwrl_1155630404_b.pdb or /var/tmp/from_scwrl_1155630404_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 T0330 can't currently be optimized by undertaker # naming current conformation LOOPP_TS5 # request to SCWRL produces command: ulimit -t 210 ; scwrl3 -i /var/tmp/to_scwrl_1458857932.pdb -s /var/tmp/to_scwrl_1458857932.seq -o /var/tmp/from_scwrl_1458857932.pdb > /var/tmp/scwrl_1458857932.log sh: /var/tmp/scwrl_1458857932.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1458857932.pdb or /var/tmp/from_scwrl_1458857932.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1458857932_b.pdb or decoys//var/tmp/from_scwrl_1458857932_b.pdb.gz for input Trying /var/tmp/from_scwrl_1458857932_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1458857932_b.pdb or /var/tmp/from_scwrl_1458857932_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1458857932_a.pdb or decoys//var/tmp/from_scwrl_1458857932_a.pdb.gz for input Trying /var/tmp/from_scwrl_1458857932_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1458857932_a.pdb or /var/tmp/from_scwrl_1458857932_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1458857932.pdb or /var/tmp/from_scwrl_1458857932_b.pdb or /var/tmp/from_scwrl_1458857932_a.pdb Error: no new SCWRL conformation added # naming current conformation LOOPP_TS5-scwrl # ReadConformPDB reading from PDB file servers/Ma-OPUS-server2_TS1.pdb.gz looking for model 1 # Found a chain break before 164 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server2_TS1 # request to SCWRL produces command: ulimit -t 210 ; scwrl3 -i /var/tmp/to_scwrl_189166140.pdb -s /var/tmp/to_scwrl_189166140.seq -o /var/tmp/from_scwrl_189166140.pdb > /var/tmp/scwrl_189166140.log sh: /var/tmp/scwrl_189166140.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_189166140.pdb or /var/tmp/from_scwrl_189166140.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_189166140_b.pdb or decoys//var/tmp/from_scwrl_189166140_b.pdb.gz for input Trying /var/tmp/from_scwrl_189166140_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_189166140_b.pdb or /var/tmp/from_scwrl_189166140_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_189166140_a.pdb or decoys//var/tmp/from_scwrl_189166140_a.pdb.gz for input Trying /var/tmp/from_scwrl_189166140_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_189166140_a.pdb or /var/tmp/from_scwrl_189166140_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_189166140.pdb or /var/tmp/from_scwrl_189166140_b.pdb or /var/tmp/from_scwrl_189166140_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 226 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server2_TS2 # request to SCWRL produces command: ulimit -t 210 ; scwrl3 -i /var/tmp/to_scwrl_817463276.pdb -s /var/tmp/to_scwrl_817463276.seq -o /var/tmp/from_scwrl_817463276.pdb > /var/tmp/scwrl_817463276.log sh: /var/tmp/scwrl_817463276.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_817463276.pdb or /var/tmp/from_scwrl_817463276.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_817463276_b.pdb or decoys//var/tmp/from_scwrl_817463276_b.pdb.gz for input Trying /var/tmp/from_scwrl_817463276_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_817463276_b.pdb or /var/tmp/from_scwrl_817463276_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_817463276_a.pdb or decoys//var/tmp/from_scwrl_817463276_a.pdb.gz for input Trying /var/tmp/from_scwrl_817463276_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_817463276_a.pdb or /var/tmp/from_scwrl_817463276_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_817463276.pdb or /var/tmp/from_scwrl_817463276_b.pdb or /var/tmp/from_scwrl_817463276_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 232 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server2_TS3 # request to SCWRL produces command: ulimit -t 210 ; scwrl3 -i /var/tmp/to_scwrl_1867909693.pdb -s /var/tmp/to_scwrl_1867909693.seq -o /var/tmp/from_scwrl_1867909693.pdb > /var/tmp/scwrl_1867909693.log sh: /var/tmp/scwrl_1867909693.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1867909693.pdb or /var/tmp/from_scwrl_1867909693.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1867909693_b.pdb or decoys//var/tmp/from_scwrl_1867909693_b.pdb.gz for input Trying /var/tmp/from_scwrl_1867909693_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1867909693_b.pdb or /var/tmp/from_scwrl_1867909693_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1867909693_a.pdb or decoys//var/tmp/from_scwrl_1867909693_a.pdb.gz for input Trying /var/tmp/from_scwrl_1867909693_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1867909693_a.pdb or /var/tmp/from_scwrl_1867909693_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1867909693.pdb or /var/tmp/from_scwrl_1867909693_b.pdb or /var/tmp/from_scwrl_1867909693_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 210 ; scwrl3 -i /var/tmp/to_scwrl_970254130.pdb -s /var/tmp/to_scwrl_970254130.seq -o /var/tmp/from_scwrl_970254130.pdb > /var/tmp/scwrl_970254130.log sh: /var/tmp/scwrl_970254130.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_970254130.pdb or /var/tmp/from_scwrl_970254130.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_970254130_b.pdb or decoys//var/tmp/from_scwrl_970254130_b.pdb.gz for input Trying /var/tmp/from_scwrl_970254130_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_970254130_b.pdb or /var/tmp/from_scwrl_970254130_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_970254130_a.pdb or decoys//var/tmp/from_scwrl_970254130_a.pdb.gz for input Trying /var/tmp/from_scwrl_970254130_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_970254130_a.pdb or /var/tmp/from_scwrl_970254130_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_970254130.pdb or /var/tmp/from_scwrl_970254130_b.pdb or /var/tmp/from_scwrl_970254130_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 149 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server2_TS5 # request to SCWRL produces command: ulimit -t 210 ; scwrl3 -i /var/tmp/to_scwrl_1931091792.pdb -s /var/tmp/to_scwrl_1931091792.seq -o /var/tmp/from_scwrl_1931091792.pdb > /var/tmp/scwrl_1931091792.log sh: /var/tmp/scwrl_1931091792.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1931091792.pdb or /var/tmp/from_scwrl_1931091792.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1931091792_b.pdb or decoys//var/tmp/from_scwrl_1931091792_b.pdb.gz for input Trying /var/tmp/from_scwrl_1931091792_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1931091792_b.pdb or /var/tmp/from_scwrl_1931091792_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1931091792_a.pdb or decoys//var/tmp/from_scwrl_1931091792_a.pdb.gz for input Trying /var/tmp/from_scwrl_1931091792_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1931091792_a.pdb or /var/tmp/from_scwrl_1931091792_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1931091792.pdb or /var/tmp/from_scwrl_1931091792_b.pdb or /var/tmp/from_scwrl_1931091792_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 149 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS1 # request to SCWRL produces command: ulimit -t 210 ; scwrl3 -i /var/tmp/to_scwrl_413808785.pdb -s /var/tmp/to_scwrl_413808785.seq -o /var/tmp/from_scwrl_413808785.pdb > /var/tmp/scwrl_413808785.log sh: /var/tmp/scwrl_413808785.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_413808785.pdb or /var/tmp/from_scwrl_413808785.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_413808785_b.pdb or decoys//var/tmp/from_scwrl_413808785_b.pdb.gz for input Trying /var/tmp/from_scwrl_413808785_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_413808785_b.pdb or /var/tmp/from_scwrl_413808785_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_413808785_a.pdb or decoys//var/tmp/from_scwrl_413808785_a.pdb.gz for input Trying /var/tmp/from_scwrl_413808785_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_413808785_a.pdb or /var/tmp/from_scwrl_413808785_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_413808785.pdb or /var/tmp/from_scwrl_413808785_b.pdb or /var/tmp/from_scwrl_413808785_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 232 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS2 # request to SCWRL produces command: ulimit -t 210 ; scwrl3 -i /var/tmp/to_scwrl_2020231089.pdb -s /var/tmp/to_scwrl_2020231089.seq -o /var/tmp/from_scwrl_2020231089.pdb > /var/tmp/scwrl_2020231089.log sh: /var/tmp/scwrl_2020231089.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_2020231089.pdb or /var/tmp/from_scwrl_2020231089.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2020231089_b.pdb or decoys//var/tmp/from_scwrl_2020231089_b.pdb.gz for input Trying /var/tmp/from_scwrl_2020231089_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_2020231089_b.pdb or /var/tmp/from_scwrl_2020231089_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2020231089_a.pdb or decoys//var/tmp/from_scwrl_2020231089_a.pdb.gz for input Trying /var/tmp/from_scwrl_2020231089_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_2020231089_a.pdb or /var/tmp/from_scwrl_2020231089_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_2020231089.pdb or /var/tmp/from_scwrl_2020231089_b.pdb or /var/tmp/from_scwrl_2020231089_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 214 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS3 # request to SCWRL produces command: ulimit -t 210 ; scwrl3 -i /var/tmp/to_scwrl_1609796975.pdb -s /var/tmp/to_scwrl_1609796975.seq -o /var/tmp/from_scwrl_1609796975.pdb > /var/tmp/scwrl_1609796975.log sh: /var/tmp/scwrl_1609796975.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1609796975.pdb or /var/tmp/from_scwrl_1609796975.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1609796975_b.pdb or decoys//var/tmp/from_scwrl_1609796975_b.pdb.gz for input Trying /var/tmp/from_scwrl_1609796975_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1609796975_b.pdb or /var/tmp/from_scwrl_1609796975_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1609796975_a.pdb or decoys//var/tmp/from_scwrl_1609796975_a.pdb.gz for input Trying /var/tmp/from_scwrl_1609796975_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1609796975_a.pdb or /var/tmp/from_scwrl_1609796975_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1609796975.pdb or /var/tmp/from_scwrl_1609796975_b.pdb or /var/tmp/from_scwrl_1609796975_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 149 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS4 # request to SCWRL produces command: ulimit -t 210 ; scwrl3 -i /var/tmp/to_scwrl_1694087422.pdb -s /var/tmp/to_scwrl_1694087422.seq -o /var/tmp/from_scwrl_1694087422.pdb > /var/tmp/scwrl_1694087422.log sh: /var/tmp/scwrl_1694087422.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1694087422.pdb or /var/tmp/from_scwrl_1694087422.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1694087422_b.pdb or decoys//var/tmp/from_scwrl_1694087422_b.pdb.gz for input Trying /var/tmp/from_scwrl_1694087422_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1694087422_b.pdb or /var/tmp/from_scwrl_1694087422_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1694087422_a.pdb or decoys//var/tmp/from_scwrl_1694087422_a.pdb.gz for input Trying /var/tmp/from_scwrl_1694087422_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1694087422_a.pdb or /var/tmp/from_scwrl_1694087422_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1694087422.pdb or /var/tmp/from_scwrl_1694087422_b.pdb or /var/tmp/from_scwrl_1694087422_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 149 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS5 # request to SCWRL produces command: ulimit -t 210 ; scwrl3 -i /var/tmp/to_scwrl_1661453584.pdb -s /var/tmp/to_scwrl_1661453584.seq -o /var/tmp/from_scwrl_1661453584.pdb > /var/tmp/scwrl_1661453584.log sh: /var/tmp/scwrl_1661453584.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1661453584.pdb or /var/tmp/from_scwrl_1661453584.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1661453584_b.pdb or decoys//var/tmp/from_scwrl_1661453584_b.pdb.gz for input Trying /var/tmp/from_scwrl_1661453584_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1661453584_b.pdb or /var/tmp/from_scwrl_1661453584_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1661453584_a.pdb or decoys//var/tmp/from_scwrl_1661453584_a.pdb.gz for input Trying /var/tmp/from_scwrl_1661453584_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1661453584_a.pdb or /var/tmp/from_scwrl_1661453584_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1661453584.pdb or /var/tmp/from_scwrl_1661453584_b.pdb or /var/tmp/from_scwrl_1661453584_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 213 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS1 # request to SCWRL produces command: ulimit -t 210 ; scwrl3 -i /var/tmp/to_scwrl_178108328.pdb -s /var/tmp/to_scwrl_178108328.seq -o /var/tmp/from_scwrl_178108328.pdb > /var/tmp/scwrl_178108328.log sh: /var/tmp/scwrl_178108328.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_178108328.pdb or /var/tmp/from_scwrl_178108328.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_178108328_b.pdb or decoys//var/tmp/from_scwrl_178108328_b.pdb.gz for input Trying /var/tmp/from_scwrl_178108328_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_178108328_b.pdb or /var/tmp/from_scwrl_178108328_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_178108328_a.pdb or decoys//var/tmp/from_scwrl_178108328_a.pdb.gz for input Trying /var/tmp/from_scwrl_178108328_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_178108328_a.pdb or /var/tmp/from_scwrl_178108328_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_178108328.pdb or /var/tmp/from_scwrl_178108328_b.pdb or /var/tmp/from_scwrl_178108328_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 213 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS2 # request to SCWRL produces command: ulimit -t 210 ; scwrl3 -i /var/tmp/to_scwrl_2118105662.pdb -s /var/tmp/to_scwrl_2118105662.seq -o /var/tmp/from_scwrl_2118105662.pdb > /var/tmp/scwrl_2118105662.log sh: /var/tmp/scwrl_2118105662.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_2118105662.pdb or /var/tmp/from_scwrl_2118105662.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2118105662_b.pdb or decoys//var/tmp/from_scwrl_2118105662_b.pdb.gz for input Trying /var/tmp/from_scwrl_2118105662_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_2118105662_b.pdb or /var/tmp/from_scwrl_2118105662_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2118105662_a.pdb or decoys//var/tmp/from_scwrl_2118105662_a.pdb.gz for input Trying /var/tmp/from_scwrl_2118105662_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_2118105662_a.pdb or /var/tmp/from_scwrl_2118105662_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_2118105662.pdb or /var/tmp/from_scwrl_2118105662_b.pdb or /var/tmp/from_scwrl_2118105662_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 215 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS3 # request to SCWRL produces command: ulimit -t 210 ; scwrl3 -i /var/tmp/to_scwrl_1892679385.pdb -s /var/tmp/to_scwrl_1892679385.seq -o /var/tmp/from_scwrl_1892679385.pdb > /var/tmp/scwrl_1892679385.log sh: /var/tmp/scwrl_1892679385.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1892679385.pdb or /var/tmp/from_scwrl_1892679385.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1892679385_b.pdb or decoys//var/tmp/from_scwrl_1892679385_b.pdb.gz for input Trying /var/tmp/from_scwrl_1892679385_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1892679385_b.pdb or /var/tmp/from_scwrl_1892679385_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1892679385_a.pdb or decoys//var/tmp/from_scwrl_1892679385_a.pdb.gz for input Trying /var/tmp/from_scwrl_1892679385_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1892679385_a.pdb or /var/tmp/from_scwrl_1892679385_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1892679385.pdb or /var/tmp/from_scwrl_1892679385_b.pdb or /var/tmp/from_scwrl_1892679385_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 213 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS4 # request to SCWRL produces command: ulimit -t 210 ; scwrl3 -i /var/tmp/to_scwrl_796132691.pdb -s /var/tmp/to_scwrl_796132691.seq -o /var/tmp/from_scwrl_796132691.pdb > /var/tmp/scwrl_796132691.log sh: /var/tmp/scwrl_796132691.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_796132691.pdb or /var/tmp/from_scwrl_796132691.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_796132691_b.pdb or decoys//var/tmp/from_scwrl_796132691_b.pdb.gz for input Trying /var/tmp/from_scwrl_796132691_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_796132691_b.pdb or /var/tmp/from_scwrl_796132691_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_796132691_a.pdb or decoys//var/tmp/from_scwrl_796132691_a.pdb.gz for input Trying /var/tmp/from_scwrl_796132691_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_796132691_a.pdb or /var/tmp/from_scwrl_796132691_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_796132691.pdb or /var/tmp/from_scwrl_796132691_b.pdb or /var/tmp/from_scwrl_796132691_a.pdb Error: no new SCWRL conformation added # naming current conformation MetaTasser_TS4-scwrl # ReadConformPDB reading from PDB file servers/NN_PUT_lab_TS1.pdb.gz looking for model 1 # Found a chain break before 195 # copying to AlignedFragments data structure # naming current conformation NN_PUT_lab_TS1 # request to SCWRL produces command: ulimit -t 210 ; scwrl3 -i /var/tmp/to_scwrl_1060527122.pdb -s /var/tmp/to_scwrl_1060527122.seq -o /var/tmp/from_scwrl_1060527122.pdb > /var/tmp/scwrl_1060527122.log sh: /var/tmp/scwrl_1060527122.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1060527122.pdb or /var/tmp/from_scwrl_1060527122.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1060527122_b.pdb or decoys//var/tmp/from_scwrl_1060527122_b.pdb.gz for input Trying /var/tmp/from_scwrl_1060527122_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1060527122_b.pdb or /var/tmp/from_scwrl_1060527122_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1060527122_a.pdb or decoys//var/tmp/from_scwrl_1060527122_a.pdb.gz for input Trying /var/tmp/from_scwrl_1060527122_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1060527122_a.pdb or /var/tmp/from_scwrl_1060527122_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1060527122.pdb or /var/tmp/from_scwrl_1060527122_b.pdb or /var/tmp/from_scwrl_1060527122_a.pdb Error: no new SCWRL conformation added # naming current conformation NN_PUT_lab_TS1-scwrl # ReadConformPDB reading from PDB file servers/POMYSL_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0330 can't currently be optimized by undertaker # naming current conformation POMYSL_TS1 # request to SCWRL produces command: ulimit -t 210 ; scwrl3 -i /var/tmp/to_scwrl_1284904501.pdb -s /var/tmp/to_scwrl_1284904501.seq -o /var/tmp/from_scwrl_1284904501.pdb > /var/tmp/scwrl_1284904501.log sh: /var/tmp/scwrl_1284904501.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1284904501.pdb or /var/tmp/from_scwrl_1284904501.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1284904501_b.pdb or decoys//var/tmp/from_scwrl_1284904501_b.pdb.gz for input Trying /var/tmp/from_scwrl_1284904501_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1284904501_b.pdb or /var/tmp/from_scwrl_1284904501_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1284904501_a.pdb or decoys//var/tmp/from_scwrl_1284904501_a.pdb.gz for input Trying /var/tmp/from_scwrl_1284904501_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1284904501_a.pdb or /var/tmp/from_scwrl_1284904501_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1284904501.pdb or /var/tmp/from_scwrl_1284904501_b.pdb or /var/tmp/from_scwrl_1284904501_a.pdb Error: no new SCWRL conformation added # naming current conformation POMYSL_TS1-scwrl # ReadConformPDB reading from PDB file servers/POMYSL_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0330 can't currently be optimized by undertaker # naming current conformation POMYSL_TS2 # request to SCWRL produces command: ulimit -t 210 ; scwrl3 -i /var/tmp/to_scwrl_34508870.pdb -s /var/tmp/to_scwrl_34508870.seq -o /var/tmp/from_scwrl_34508870.pdb > /var/tmp/scwrl_34508870.log sh: /var/tmp/scwrl_34508870.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_34508870.pdb or /var/tmp/from_scwrl_34508870.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_34508870_b.pdb or decoys//var/tmp/from_scwrl_34508870_b.pdb.gz for input Trying /var/tmp/from_scwrl_34508870_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_34508870_b.pdb or /var/tmp/from_scwrl_34508870_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_34508870_a.pdb or decoys//var/tmp/from_scwrl_34508870_a.pdb.gz for input Trying /var/tmp/from_scwrl_34508870_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_34508870_a.pdb or /var/tmp/from_scwrl_34508870_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_34508870.pdb or /var/tmp/from_scwrl_34508870_b.pdb or /var/tmp/from_scwrl_34508870_a.pdb Error: no new SCWRL conformation added # naming current conformation POMYSL_TS2-scwrl # ReadConformPDB reading from PDB file servers/POMYSL_TS3.pdb.gz looking for model 1 WARNING: atom 1 has residue number 2 < previous residue 233 in servers/POMYSL_TS3.pdb.gz # WARNING: incomplete conformation T0330 can't currently be optimized by undertaker # naming current conformation POMYSL_TS3 # request to SCWRL produces command: ulimit -t 210 ; scwrl3 -i /var/tmp/to_scwrl_389360385.pdb -s /var/tmp/to_scwrl_389360385.seq -o /var/tmp/from_scwrl_389360385.pdb > /var/tmp/scwrl_389360385.log sh: /var/tmp/scwrl_389360385.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_389360385.pdb or /var/tmp/from_scwrl_389360385.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_389360385_b.pdb or decoys//var/tmp/from_scwrl_389360385_b.pdb.gz for input Trying /var/tmp/from_scwrl_389360385_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_389360385_b.pdb or /var/tmp/from_scwrl_389360385_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_389360385_a.pdb or decoys//var/tmp/from_scwrl_389360385_a.pdb.gz for input Trying /var/tmp/from_scwrl_389360385_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_389360385_a.pdb or /var/tmp/from_scwrl_389360385_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_389360385.pdb or /var/tmp/from_scwrl_389360385_b.pdb or /var/tmp/from_scwrl_389360385_a.pdb Error: no new SCWRL conformation added # naming current conformation POMYSL_TS3-scwrl # ReadConformPDB reading from PDB file servers/POMYSL_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0330 can't currently be optimized by undertaker # naming current conformation POMYSL_TS4 # request to SCWRL produces command: ulimit -t 210 ; scwrl3 -i /var/tmp/to_scwrl_86463336.pdb -s /var/tmp/to_scwrl_86463336.seq -o /var/tmp/from_scwrl_86463336.pdb > /var/tmp/scwrl_86463336.log sh: /var/tmp/scwrl_86463336.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_86463336.pdb or /var/tmp/from_scwrl_86463336.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_86463336_b.pdb or decoys//var/tmp/from_scwrl_86463336_b.pdb.gz for input Trying /var/tmp/from_scwrl_86463336_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_86463336_b.pdb or /var/tmp/from_scwrl_86463336_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_86463336_a.pdb or decoys//var/tmp/from_scwrl_86463336_a.pdb.gz for input Trying /var/tmp/from_scwrl_86463336_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_86463336_a.pdb or /var/tmp/from_scwrl_86463336_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_86463336.pdb or /var/tmp/from_scwrl_86463336_b.pdb or /var/tmp/from_scwrl_86463336_a.pdb Error: no new SCWRL conformation added # naming current conformation POMYSL_TS4-scwrl # ReadConformPDB reading from PDB file servers/POMYSL_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0330 can't currently be optimized by undertaker # naming current conformation POMYSL_TS5 # request to SCWRL produces command: ulimit -t 210 ; scwrl3 -i /var/tmp/to_scwrl_1827587105.pdb -s /var/tmp/to_scwrl_1827587105.seq -o /var/tmp/from_scwrl_1827587105.pdb > /var/tmp/scwrl_1827587105.log sh: /var/tmp/scwrl_1827587105.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1827587105.pdb or /var/tmp/from_scwrl_1827587105.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1827587105_b.pdb or decoys//var/tmp/from_scwrl_1827587105_b.pdb.gz for input Trying /var/tmp/from_scwrl_1827587105_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1827587105_b.pdb or /var/tmp/from_scwrl_1827587105_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1827587105_a.pdb or decoys//var/tmp/from_scwrl_1827587105_a.pdb.gz for input Trying /var/tmp/from_scwrl_1827587105_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1827587105_a.pdb or /var/tmp/from_scwrl_1827587105_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1827587105.pdb or /var/tmp/from_scwrl_1827587105_b.pdb or /var/tmp/from_scwrl_1827587105_a.pdb Error: no new SCWRL conformation added # naming current conformation POMYSL_TS5-scwrl # ReadConformPDB reading from PDB file servers/PROTINFO-AB_TS1.pdb.gz looking for model 1 # naming current conformation PROTINFO-AB_TS1 # request to SCWRL produces command: ulimit -t 210 ; scwrl3 -i /var/tmp/to_scwrl_1135838038.pdb -s /var/tmp/to_scwrl_1135838038.seq -o /var/tmp/from_scwrl_1135838038.pdb > /var/tmp/scwrl_1135838038.log sh: /var/tmp/scwrl_1135838038.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1135838038.pdb or /var/tmp/from_scwrl_1135838038.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1135838038_b.pdb or decoys//var/tmp/from_scwrl_1135838038_b.pdb.gz for input Trying /var/tmp/from_scwrl_1135838038_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1135838038_b.pdb or /var/tmp/from_scwrl_1135838038_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1135838038_a.pdb or decoys//var/tmp/from_scwrl_1135838038_a.pdb.gz for input Trying /var/tmp/from_scwrl_1135838038_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1135838038_a.pdb or /var/tmp/from_scwrl_1135838038_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1135838038.pdb or /var/tmp/from_scwrl_1135838038_b.pdb or /var/tmp/from_scwrl_1135838038_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 210 ; scwrl3 -i /var/tmp/to_scwrl_855124454.pdb -s /var/tmp/to_scwrl_855124454.seq -o /var/tmp/from_scwrl_855124454.pdb > /var/tmp/scwrl_855124454.log sh: /var/tmp/scwrl_855124454.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_855124454.pdb or /var/tmp/from_scwrl_855124454.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_855124454_b.pdb or decoys//var/tmp/from_scwrl_855124454_b.pdb.gz for input Trying /var/tmp/from_scwrl_855124454_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_855124454_b.pdb or /var/tmp/from_scwrl_855124454_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_855124454_a.pdb or decoys//var/tmp/from_scwrl_855124454_a.pdb.gz for input Trying /var/tmp/from_scwrl_855124454_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_855124454_a.pdb or /var/tmp/from_scwrl_855124454_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_855124454.pdb or /var/tmp/from_scwrl_855124454_b.pdb or /var/tmp/from_scwrl_855124454_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 210 ; scwrl3 -i /var/tmp/to_scwrl_1485730900.pdb -s /var/tmp/to_scwrl_1485730900.seq -o /var/tmp/from_scwrl_1485730900.pdb > /var/tmp/scwrl_1485730900.log sh: /var/tmp/scwrl_1485730900.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1485730900.pdb or /var/tmp/from_scwrl_1485730900.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1485730900_b.pdb or decoys//var/tmp/from_scwrl_1485730900_b.pdb.gz for input Trying /var/tmp/from_scwrl_1485730900_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1485730900_b.pdb or /var/tmp/from_scwrl_1485730900_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1485730900_a.pdb or decoys//var/tmp/from_scwrl_1485730900_a.pdb.gz for input Trying /var/tmp/from_scwrl_1485730900_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1485730900_a.pdb or /var/tmp/from_scwrl_1485730900_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1485730900.pdb or /var/tmp/from_scwrl_1485730900_b.pdb or /var/tmp/from_scwrl_1485730900_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 210 ; scwrl3 -i /var/tmp/to_scwrl_625437027.pdb -s /var/tmp/to_scwrl_625437027.seq -o /var/tmp/from_scwrl_625437027.pdb > /var/tmp/scwrl_625437027.log sh: /var/tmp/scwrl_625437027.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_625437027.pdb or /var/tmp/from_scwrl_625437027.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_625437027_b.pdb or decoys//var/tmp/from_scwrl_625437027_b.pdb.gz for input Trying /var/tmp/from_scwrl_625437027_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_625437027_b.pdb or /var/tmp/from_scwrl_625437027_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_625437027_a.pdb or decoys//var/tmp/from_scwrl_625437027_a.pdb.gz for input Trying /var/tmp/from_scwrl_625437027_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_625437027_a.pdb or /var/tmp/from_scwrl_625437027_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_625437027.pdb or /var/tmp/from_scwrl_625437027_b.pdb or /var/tmp/from_scwrl_625437027_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 210 ; scwrl3 -i /var/tmp/to_scwrl_27038517.pdb -s /var/tmp/to_scwrl_27038517.seq -o /var/tmp/from_scwrl_27038517.pdb > /var/tmp/scwrl_27038517.log sh: /var/tmp/scwrl_27038517.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_27038517.pdb or /var/tmp/from_scwrl_27038517.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_27038517_b.pdb or decoys//var/tmp/from_scwrl_27038517_b.pdb.gz for input Trying /var/tmp/from_scwrl_27038517_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_27038517_b.pdb or /var/tmp/from_scwrl_27038517_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_27038517_a.pdb or decoys//var/tmp/from_scwrl_27038517_a.pdb.gz for input Trying /var/tmp/from_scwrl_27038517_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_27038517_a.pdb or /var/tmp/from_scwrl_27038517_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_27038517.pdb or /var/tmp/from_scwrl_27038517_b.pdb or /var/tmp/from_scwrl_27038517_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 204 # copying to AlignedFragments data structure # naming current conformation PROTINFO_TS1 # request to SCWRL produces command: ulimit -t 210 ; scwrl3 -i /var/tmp/to_scwrl_2052842528.pdb -s /var/tmp/to_scwrl_2052842528.seq -o /var/tmp/from_scwrl_2052842528.pdb > /var/tmp/scwrl_2052842528.log sh: /var/tmp/scwrl_2052842528.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_2052842528.pdb or /var/tmp/from_scwrl_2052842528.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2052842528_b.pdb or decoys//var/tmp/from_scwrl_2052842528_b.pdb.gz for input Trying /var/tmp/from_scwrl_2052842528_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_2052842528_b.pdb or /var/tmp/from_scwrl_2052842528_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2052842528_a.pdb or decoys//var/tmp/from_scwrl_2052842528_a.pdb.gz for input Trying /var/tmp/from_scwrl_2052842528_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_2052842528_a.pdb or /var/tmp/from_scwrl_2052842528_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_2052842528.pdb or /var/tmp/from_scwrl_2052842528_b.pdb or /var/tmp/from_scwrl_2052842528_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 166 # copying to AlignedFragments data structure # naming current conformation PROTINFO_TS2 # request to SCWRL produces command: ulimit -t 210 ; scwrl3 -i /var/tmp/to_scwrl_2112161817.pdb -s /var/tmp/to_scwrl_2112161817.seq -o /var/tmp/from_scwrl_2112161817.pdb > /var/tmp/scwrl_2112161817.log sh: /var/tmp/scwrl_2112161817.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_2112161817.pdb or /var/tmp/from_scwrl_2112161817.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2112161817_b.pdb or decoys//var/tmp/from_scwrl_2112161817_b.pdb.gz for input Trying /var/tmp/from_scwrl_2112161817_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_2112161817_b.pdb or /var/tmp/from_scwrl_2112161817_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2112161817_a.pdb or decoys//var/tmp/from_scwrl_2112161817_a.pdb.gz for input Trying /var/tmp/from_scwrl_2112161817_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_2112161817_a.pdb or /var/tmp/from_scwrl_2112161817_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_2112161817.pdb or /var/tmp/from_scwrl_2112161817_b.pdb or /var/tmp/from_scwrl_2112161817_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 149 # copying to AlignedFragments data structure # naming current conformation PROTINFO_TS3 # request to SCWRL produces command: ulimit -t 210 ; scwrl3 -i /var/tmp/to_scwrl_1734721119.pdb -s /var/tmp/to_scwrl_1734721119.seq -o /var/tmp/from_scwrl_1734721119.pdb > /var/tmp/scwrl_1734721119.log sh: /var/tmp/scwrl_1734721119.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1734721119.pdb or /var/tmp/from_scwrl_1734721119.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1734721119_b.pdb or decoys//var/tmp/from_scwrl_1734721119_b.pdb.gz for input Trying /var/tmp/from_scwrl_1734721119_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1734721119_b.pdb or /var/tmp/from_scwrl_1734721119_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1734721119_a.pdb or decoys//var/tmp/from_scwrl_1734721119_a.pdb.gz for input Trying /var/tmp/from_scwrl_1734721119_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1734721119_a.pdb or /var/tmp/from_scwrl_1734721119_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1734721119.pdb or /var/tmp/from_scwrl_1734721119_b.pdb or /var/tmp/from_scwrl_1734721119_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 203 # copying to AlignedFragments data structure # naming current conformation PROTINFO_TS4 # request to SCWRL produces command: ulimit -t 210 ; scwrl3 -i /var/tmp/to_scwrl_614045428.pdb -s /var/tmp/to_scwrl_614045428.seq -o /var/tmp/from_scwrl_614045428.pdb > /var/tmp/scwrl_614045428.log sh: /var/tmp/scwrl_614045428.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_614045428.pdb or /var/tmp/from_scwrl_614045428.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_614045428_b.pdb or decoys//var/tmp/from_scwrl_614045428_b.pdb.gz for input Trying /var/tmp/from_scwrl_614045428_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_614045428_b.pdb or /var/tmp/from_scwrl_614045428_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_614045428_a.pdb or decoys//var/tmp/from_scwrl_614045428_a.pdb.gz for input Trying /var/tmp/from_scwrl_614045428_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_614045428_a.pdb or /var/tmp/from_scwrl_614045428_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_614045428.pdb or /var/tmp/from_scwrl_614045428_b.pdb or /var/tmp/from_scwrl_614045428_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 149 # copying to AlignedFragments data structure # naming current conformation PROTINFO_TS5 # request to SCWRL produces command: ulimit -t 210 ; scwrl3 -i /var/tmp/to_scwrl_1120308574.pdb -s /var/tmp/to_scwrl_1120308574.seq -o /var/tmp/from_scwrl_1120308574.pdb > /var/tmp/scwrl_1120308574.log sh: /var/tmp/scwrl_1120308574.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1120308574.pdb or /var/tmp/from_scwrl_1120308574.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1120308574_b.pdb or decoys//var/tmp/from_scwrl_1120308574_b.pdb.gz for input Trying /var/tmp/from_scwrl_1120308574_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1120308574_b.pdb or /var/tmp/from_scwrl_1120308574_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1120308574_a.pdb or decoys//var/tmp/from_scwrl_1120308574_a.pdb.gz for input Trying /var/tmp/from_scwrl_1120308574_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1120308574_a.pdb or /var/tmp/from_scwrl_1120308574_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1120308574.pdb or /var/tmp/from_scwrl_1120308574_b.pdb or /var/tmp/from_scwrl_1120308574_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 T0330 can't currently be optimized by undertaker # naming current conformation Pcons6_TS1 # request to SCWRL produces command: ulimit -t 210 ; scwrl3 -i /var/tmp/to_scwrl_1046095406.pdb -s /var/tmp/to_scwrl_1046095406.seq -o /var/tmp/from_scwrl_1046095406.pdb > /var/tmp/scwrl_1046095406.log sh: /var/tmp/scwrl_1046095406.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1046095406.pdb or /var/tmp/from_scwrl_1046095406.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1046095406_b.pdb or decoys//var/tmp/from_scwrl_1046095406_b.pdb.gz for input Trying /var/tmp/from_scwrl_1046095406_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1046095406_b.pdb or /var/tmp/from_scwrl_1046095406_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1046095406_a.pdb or decoys//var/tmp/from_scwrl_1046095406_a.pdb.gz for input Trying /var/tmp/from_scwrl_1046095406_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1046095406_a.pdb or /var/tmp/from_scwrl_1046095406_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1046095406.pdb or /var/tmp/from_scwrl_1046095406_b.pdb or /var/tmp/from_scwrl_1046095406_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 T0330 can't currently be optimized by undertaker # naming current conformation Pcons6_TS2 # request to SCWRL produces command: ulimit -t 210 ; scwrl3 -i /var/tmp/to_scwrl_803211568.pdb -s /var/tmp/to_scwrl_803211568.seq -o /var/tmp/from_scwrl_803211568.pdb > /var/tmp/scwrl_803211568.log sh: /var/tmp/scwrl_803211568.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_803211568.pdb or /var/tmp/from_scwrl_803211568.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_803211568_b.pdb or decoys//var/tmp/from_scwrl_803211568_b.pdb.gz for input Trying /var/tmp/from_scwrl_803211568_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_803211568_b.pdb or /var/tmp/from_scwrl_803211568_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_803211568_a.pdb or decoys//var/tmp/from_scwrl_803211568_a.pdb.gz for input Trying /var/tmp/from_scwrl_803211568_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_803211568_a.pdb or /var/tmp/from_scwrl_803211568_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_803211568.pdb or /var/tmp/from_scwrl_803211568_b.pdb or /var/tmp/from_scwrl_803211568_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 T0330 can't currently be optimized by undertaker # naming current conformation Pcons6_TS3 # request to SCWRL produces command: ulimit -t 210 ; scwrl3 -i /var/tmp/to_scwrl_1937771850.pdb -s /var/tmp/to_scwrl_1937771850.seq -o /var/tmp/from_scwrl_1937771850.pdb > /var/tmp/scwrl_1937771850.log sh: /var/tmp/scwrl_1937771850.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1937771850.pdb or /var/tmp/from_scwrl_1937771850.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1937771850_b.pdb or decoys//var/tmp/from_scwrl_1937771850_b.pdb.gz for input Trying /var/tmp/from_scwrl_1937771850_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1937771850_b.pdb or /var/tmp/from_scwrl_1937771850_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1937771850_a.pdb or decoys//var/tmp/from_scwrl_1937771850_a.pdb.gz for input Trying /var/tmp/from_scwrl_1937771850_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1937771850_a.pdb or /var/tmp/from_scwrl_1937771850_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1937771850.pdb or /var/tmp/from_scwrl_1937771850_b.pdb or /var/tmp/from_scwrl_1937771850_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 T0330 can't currently be optimized by undertaker # naming current conformation Pcons6_TS4 # request to SCWRL produces command: ulimit -t 210 ; scwrl3 -i /var/tmp/to_scwrl_766521452.pdb -s /var/tmp/to_scwrl_766521452.seq -o /var/tmp/from_scwrl_766521452.pdb > /var/tmp/scwrl_766521452.log sh: /var/tmp/scwrl_766521452.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_766521452.pdb or /var/tmp/from_scwrl_766521452.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_766521452_b.pdb or decoys//var/tmp/from_scwrl_766521452_b.pdb.gz for input Trying /var/tmp/from_scwrl_766521452_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_766521452_b.pdb or /var/tmp/from_scwrl_766521452_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_766521452_a.pdb or decoys//var/tmp/from_scwrl_766521452_a.pdb.gz for input Trying /var/tmp/from_scwrl_766521452_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_766521452_a.pdb or /var/tmp/from_scwrl_766521452_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_766521452.pdb or /var/tmp/from_scwrl_766521452_b.pdb or /var/tmp/from_scwrl_766521452_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 T0330 can't currently be optimized by undertaker # naming current conformation Pcons6_TS5 # request to SCWRL produces command: ulimit -t 210 ; scwrl3 -i /var/tmp/to_scwrl_1773465697.pdb -s /var/tmp/to_scwrl_1773465697.seq -o /var/tmp/from_scwrl_1773465697.pdb > /var/tmp/scwrl_1773465697.log sh: /var/tmp/scwrl_1773465697.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1773465697.pdb or /var/tmp/from_scwrl_1773465697.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1773465697_b.pdb or decoys//var/tmp/from_scwrl_1773465697_b.pdb.gz for input Trying /var/tmp/from_scwrl_1773465697_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1773465697_b.pdb or /var/tmp/from_scwrl_1773465697_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1773465697_a.pdb or decoys//var/tmp/from_scwrl_1773465697_a.pdb.gz for input Trying /var/tmp/from_scwrl_1773465697_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1773465697_a.pdb or /var/tmp/from_scwrl_1773465697_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1773465697.pdb or /var/tmp/from_scwrl_1773465697_b.pdb or /var/tmp/from_scwrl_1773465697_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 T0330 can't currently be optimized by undertaker # naming current conformation Phyre-1_TS1 # request to SCWRL produces command: ulimit -t 210 ; scwrl3 -i /var/tmp/to_scwrl_1721379995.pdb -s /var/tmp/to_scwrl_1721379995.seq -o /var/tmp/from_scwrl_1721379995.pdb > /var/tmp/scwrl_1721379995.log sh: /var/tmp/scwrl_1721379995.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1721379995.pdb or /var/tmp/from_scwrl_1721379995.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1721379995_b.pdb or decoys//var/tmp/from_scwrl_1721379995_b.pdb.gz for input Trying /var/tmp/from_scwrl_1721379995_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1721379995_b.pdb or /var/tmp/from_scwrl_1721379995_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1721379995_a.pdb or decoys//var/tmp/from_scwrl_1721379995_a.pdb.gz for input Trying /var/tmp/from_scwrl_1721379995_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1721379995_a.pdb or /var/tmp/from_scwrl_1721379995_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1721379995.pdb or /var/tmp/from_scwrl_1721379995_b.pdb or /var/tmp/from_scwrl_1721379995_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 # WARNING: incomplete conformation T0330 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation Phyre-2_TS1 # request to SCWRL produces command: ulimit -t 210 ; scwrl3 -i /var/tmp/to_scwrl_1180330236.pdb -s /var/tmp/to_scwrl_1180330236.seq -o /var/tmp/from_scwrl_1180330236.pdb > /var/tmp/scwrl_1180330236.log sh: /var/tmp/scwrl_1180330236.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1180330236.pdb or /var/tmp/from_scwrl_1180330236.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1180330236_b.pdb or decoys//var/tmp/from_scwrl_1180330236_b.pdb.gz for input Trying /var/tmp/from_scwrl_1180330236_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1180330236_b.pdb or /var/tmp/from_scwrl_1180330236_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1180330236_a.pdb or decoys//var/tmp/from_scwrl_1180330236_a.pdb.gz for input Trying /var/tmp/from_scwrl_1180330236_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1180330236_a.pdb or /var/tmp/from_scwrl_1180330236_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1180330236.pdb or /var/tmp/from_scwrl_1180330236_b.pdb or /var/tmp/from_scwrl_1180330236_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 # WARNING: incomplete conformation T0330 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation Phyre-2_TS2 # request to SCWRL produces command: ulimit -t 210 ; scwrl3 -i /var/tmp/to_scwrl_1646213139.pdb -s /var/tmp/to_scwrl_1646213139.seq -o /var/tmp/from_scwrl_1646213139.pdb > /var/tmp/scwrl_1646213139.log sh: /var/tmp/scwrl_1646213139.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1646213139.pdb or /var/tmp/from_scwrl_1646213139.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1646213139_b.pdb or decoys//var/tmp/from_scwrl_1646213139_b.pdb.gz for input Trying /var/tmp/from_scwrl_1646213139_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1646213139_b.pdb or /var/tmp/from_scwrl_1646213139_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1646213139_a.pdb or decoys//var/tmp/from_scwrl_1646213139_a.pdb.gz for input Trying /var/tmp/from_scwrl_1646213139_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1646213139_a.pdb or /var/tmp/from_scwrl_1646213139_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1646213139.pdb or /var/tmp/from_scwrl_1646213139_b.pdb or /var/tmp/from_scwrl_1646213139_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 T0330 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 210 ; scwrl3 -i /var/tmp/to_scwrl_1183693323.pdb -s /var/tmp/to_scwrl_1183693323.seq -o /var/tmp/from_scwrl_1183693323.pdb > /var/tmp/scwrl_1183693323.log sh: /var/tmp/scwrl_1183693323.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1183693323.pdb or /var/tmp/from_scwrl_1183693323.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1183693323_b.pdb or decoys//var/tmp/from_scwrl_1183693323_b.pdb.gz for input Trying /var/tmp/from_scwrl_1183693323_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1183693323_b.pdb or /var/tmp/from_scwrl_1183693323_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1183693323_a.pdb or decoys//var/tmp/from_scwrl_1183693323_a.pdb.gz for input Trying /var/tmp/from_scwrl_1183693323_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1183693323_a.pdb or /var/tmp/from_scwrl_1183693323_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1183693323.pdb or /var/tmp/from_scwrl_1183693323_b.pdb or /var/tmp/from_scwrl_1183693323_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 # WARNING: incomplete conformation T0330 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation Phyre-2_TS4 # request to SCWRL produces command: ulimit -t 210 ; scwrl3 -i /var/tmp/to_scwrl_726934013.pdb -s /var/tmp/to_scwrl_726934013.seq -o /var/tmp/from_scwrl_726934013.pdb > /var/tmp/scwrl_726934013.log sh: /var/tmp/scwrl_726934013.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_726934013.pdb or /var/tmp/from_scwrl_726934013.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_726934013_b.pdb or decoys//var/tmp/from_scwrl_726934013_b.pdb.gz for input Trying /var/tmp/from_scwrl_726934013_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_726934013_b.pdb or /var/tmp/from_scwrl_726934013_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_726934013_a.pdb or decoys//var/tmp/from_scwrl_726934013_a.pdb.gz for input Trying /var/tmp/from_scwrl_726934013_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_726934013_a.pdb or /var/tmp/from_scwrl_726934013_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_726934013.pdb or /var/tmp/from_scwrl_726934013_b.pdb or /var/tmp/from_scwrl_726934013_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 # WARNING: incomplete conformation T0330 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation Phyre-2_TS5 # request to SCWRL produces command: ulimit -t 210 ; scwrl3 -i /var/tmp/to_scwrl_1160183077.pdb -s /var/tmp/to_scwrl_1160183077.seq -o /var/tmp/from_scwrl_1160183077.pdb > /var/tmp/scwrl_1160183077.log sh: /var/tmp/scwrl_1160183077.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1160183077.pdb or /var/tmp/from_scwrl_1160183077.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1160183077_b.pdb or decoys//var/tmp/from_scwrl_1160183077_b.pdb.gz for input Trying /var/tmp/from_scwrl_1160183077_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1160183077_b.pdb or /var/tmp/from_scwrl_1160183077_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1160183077_a.pdb or decoys//var/tmp/from_scwrl_1160183077_a.pdb.gz for input Trying /var/tmp/from_scwrl_1160183077_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1160183077_a.pdb or /var/tmp/from_scwrl_1160183077_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1160183077.pdb or /var/tmp/from_scwrl_1160183077_b.pdb or /var/tmp/from_scwrl_1160183077_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 # Found a chain break before 145 # copying to AlignedFragments data structure # naming current conformation Pmodeller6_TS1 # request to SCWRL produces command: ulimit -t 210 ; scwrl3 -i /var/tmp/to_scwrl_1361801651.pdb -s /var/tmp/to_scwrl_1361801651.seq -o /var/tmp/from_scwrl_1361801651.pdb > /var/tmp/scwrl_1361801651.log sh: /var/tmp/scwrl_1361801651.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1361801651.pdb or /var/tmp/from_scwrl_1361801651.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1361801651_b.pdb or decoys//var/tmp/from_scwrl_1361801651_b.pdb.gz for input Trying /var/tmp/from_scwrl_1361801651_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1361801651_b.pdb or /var/tmp/from_scwrl_1361801651_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1361801651_a.pdb or decoys//var/tmp/from_scwrl_1361801651_a.pdb.gz for input Trying /var/tmp/from_scwrl_1361801651_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1361801651_a.pdb or /var/tmp/from_scwrl_1361801651_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1361801651.pdb or /var/tmp/from_scwrl_1361801651_b.pdb or /var/tmp/from_scwrl_1361801651_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 117 # copying to AlignedFragments data structure # naming current conformation Pmodeller6_TS2 # request to SCWRL produces command: ulimit -t 210 ; scwrl3 -i /var/tmp/to_scwrl_697556028.pdb -s /var/tmp/to_scwrl_697556028.seq -o /var/tmp/from_scwrl_697556028.pdb > /var/tmp/scwrl_697556028.log sh: /var/tmp/scwrl_697556028.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_697556028.pdb or /var/tmp/from_scwrl_697556028.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_697556028_b.pdb or decoys//var/tmp/from_scwrl_697556028_b.pdb.gz for input Trying /var/tmp/from_scwrl_697556028_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_697556028_b.pdb or /var/tmp/from_scwrl_697556028_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_697556028_a.pdb or decoys//var/tmp/from_scwrl_697556028_a.pdb.gz for input Trying /var/tmp/from_scwrl_697556028_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_697556028_a.pdb or /var/tmp/from_scwrl_697556028_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_697556028.pdb or /var/tmp/from_scwrl_697556028_b.pdb or /var/tmp/from_scwrl_697556028_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 # Found a chain break before 142 # copying to AlignedFragments data structure # naming current conformation Pmodeller6_TS3 # request to SCWRL produces command: ulimit -t 210 ; scwrl3 -i /var/tmp/to_scwrl_905378816.pdb -s /var/tmp/to_scwrl_905378816.seq -o /var/tmp/from_scwrl_905378816.pdb > /var/tmp/scwrl_905378816.log sh: /var/tmp/scwrl_905378816.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_905378816.pdb or /var/tmp/from_scwrl_905378816.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_905378816_b.pdb or decoys//var/tmp/from_scwrl_905378816_b.pdb.gz for input Trying /var/tmp/from_scwrl_905378816_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_905378816_b.pdb or /var/tmp/from_scwrl_905378816_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_905378816_a.pdb or decoys//var/tmp/from_scwrl_905378816_a.pdb.gz for input Trying /var/tmp/from_scwrl_905378816_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_905378816_a.pdb or /var/tmp/from_scwrl_905378816_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_905378816.pdb or /var/tmp/from_scwrl_905378816_b.pdb or /var/tmp/from_scwrl_905378816_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 T0330 can't currently be optimized by undertaker # naming current conformation Pmodeller6_TS4 # request to SCWRL produces command: ulimit -t 210 ; scwrl3 -i /var/tmp/to_scwrl_10450696.pdb -s /var/tmp/to_scwrl_10450696.seq -o /var/tmp/from_scwrl_10450696.pdb > /var/tmp/scwrl_10450696.log sh: /var/tmp/scwrl_10450696.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_10450696.pdb or /var/tmp/from_scwrl_10450696.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_10450696_b.pdb or decoys//var/tmp/from_scwrl_10450696_b.pdb.gz for input Trying /var/tmp/from_scwrl_10450696_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_10450696_b.pdb or /var/tmp/from_scwrl_10450696_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_10450696_a.pdb or decoys//var/tmp/from_scwrl_10450696_a.pdb.gz for input Trying /var/tmp/from_scwrl_10450696_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_10450696_a.pdb or /var/tmp/from_scwrl_10450696_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_10450696.pdb or /var/tmp/from_scwrl_10450696_b.pdb or /var/tmp/from_scwrl_10450696_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 # Found a chain break before 162 # copying to AlignedFragments data structure # naming current conformation Pmodeller6_TS5 # request to SCWRL produces command: ulimit -t 210 ; scwrl3 -i /var/tmp/to_scwrl_1758083149.pdb -s /var/tmp/to_scwrl_1758083149.seq -o /var/tmp/from_scwrl_1758083149.pdb > /var/tmp/scwrl_1758083149.log sh: /var/tmp/scwrl_1758083149.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1758083149.pdb or /var/tmp/from_scwrl_1758083149.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1758083149_b.pdb or decoys//var/tmp/from_scwrl_1758083149_b.pdb.gz for input Trying /var/tmp/from_scwrl_1758083149_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1758083149_b.pdb or /var/tmp/from_scwrl_1758083149_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1758083149_a.pdb or decoys//var/tmp/from_scwrl_1758083149_a.pdb.gz for input Trying /var/tmp/from_scwrl_1758083149_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1758083149_a.pdb or /var/tmp/from_scwrl_1758083149_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1758083149.pdb or /var/tmp/from_scwrl_1758083149_b.pdb or /var/tmp/from_scwrl_1758083149_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 131 # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS1 # request to SCWRL produces command: ulimit -t 210 ; scwrl3 -i /var/tmp/to_scwrl_42799670.pdb -s /var/tmp/to_scwrl_42799670.seq -o /var/tmp/from_scwrl_42799670.pdb > /var/tmp/scwrl_42799670.log sh: /var/tmp/scwrl_42799670.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_42799670.pdb or /var/tmp/from_scwrl_42799670.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_42799670_b.pdb or decoys//var/tmp/from_scwrl_42799670_b.pdb.gz for input Trying /var/tmp/from_scwrl_42799670_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_42799670_b.pdb or /var/tmp/from_scwrl_42799670_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_42799670_a.pdb or decoys//var/tmp/from_scwrl_42799670_a.pdb.gz for input Trying /var/tmp/from_scwrl_42799670_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_42799670_a.pdb or /var/tmp/from_scwrl_42799670_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_42799670.pdb or /var/tmp/from_scwrl_42799670_b.pdb or /var/tmp/from_scwrl_42799670_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 195 # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS2 # request to SCWRL produces command: ulimit -t 210 ; scwrl3 -i /var/tmp/to_scwrl_44959566.pdb -s /var/tmp/to_scwrl_44959566.seq -o /var/tmp/from_scwrl_44959566.pdb > /var/tmp/scwrl_44959566.log sh: /var/tmp/scwrl_44959566.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_44959566.pdb or /var/tmp/from_scwrl_44959566.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_44959566_b.pdb or decoys//var/tmp/from_scwrl_44959566_b.pdb.gz for input Trying /var/tmp/from_scwrl_44959566_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_44959566_b.pdb or /var/tmp/from_scwrl_44959566_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_44959566_a.pdb or decoys//var/tmp/from_scwrl_44959566_a.pdb.gz for input Trying /var/tmp/from_scwrl_44959566_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_44959566_a.pdb or /var/tmp/from_scwrl_44959566_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_44959566.pdb or /var/tmp/from_scwrl_44959566_b.pdb or /var/tmp/from_scwrl_44959566_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 # WARNING: incomplete conformation T0330 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS3 # request to SCWRL produces command: ulimit -t 210 ; scwrl3 -i /var/tmp/to_scwrl_2147443534.pdb -s /var/tmp/to_scwrl_2147443534.seq -o /var/tmp/from_scwrl_2147443534.pdb > /var/tmp/scwrl_2147443534.log sh: /var/tmp/scwrl_2147443534.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_2147443534.pdb or /var/tmp/from_scwrl_2147443534.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2147443534_b.pdb or decoys//var/tmp/from_scwrl_2147443534_b.pdb.gz for input Trying /var/tmp/from_scwrl_2147443534_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_2147443534_b.pdb or /var/tmp/from_scwrl_2147443534_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2147443534_a.pdb or decoys//var/tmp/from_scwrl_2147443534_a.pdb.gz for input Trying /var/tmp/from_scwrl_2147443534_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_2147443534_a.pdb or /var/tmp/from_scwrl_2147443534_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_2147443534.pdb or /var/tmp/from_scwrl_2147443534_b.pdb or /var/tmp/from_scwrl_2147443534_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 # WARNING: incomplete conformation T0330 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS4 # request to SCWRL produces command: ulimit -t 210 ; scwrl3 -i /var/tmp/to_scwrl_129263006.pdb -s /var/tmp/to_scwrl_129263006.seq -o /var/tmp/from_scwrl_129263006.pdb > /var/tmp/scwrl_129263006.log sh: /var/tmp/scwrl_129263006.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_129263006.pdb or /var/tmp/from_scwrl_129263006.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_129263006_b.pdb or decoys//var/tmp/from_scwrl_129263006_b.pdb.gz for input Trying /var/tmp/from_scwrl_129263006_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_129263006_b.pdb or /var/tmp/from_scwrl_129263006_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_129263006_a.pdb or decoys//var/tmp/from_scwrl_129263006_a.pdb.gz for input Trying /var/tmp/from_scwrl_129263006_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_129263006_a.pdb or /var/tmp/from_scwrl_129263006_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_129263006.pdb or /var/tmp/from_scwrl_129263006_b.pdb or /var/tmp/from_scwrl_129263006_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 # Found a chain break before 149 # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS5 # request to SCWRL produces command: ulimit -t 210 ; scwrl3 -i /var/tmp/to_scwrl_1872546672.pdb -s /var/tmp/to_scwrl_1872546672.seq -o /var/tmp/from_scwrl_1872546672.pdb > /var/tmp/scwrl_1872546672.log sh: /var/tmp/scwrl_1872546672.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1872546672.pdb or /var/tmp/from_scwrl_1872546672.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1872546672_b.pdb or decoys//var/tmp/from_scwrl_1872546672_b.pdb.gz for input Trying /var/tmp/from_scwrl_1872546672_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1872546672_b.pdb or /var/tmp/from_scwrl_1872546672_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1872546672_a.pdb or decoys//var/tmp/from_scwrl_1872546672_a.pdb.gz for input Trying /var/tmp/from_scwrl_1872546672_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1872546672_a.pdb or /var/tmp/from_scwrl_1872546672_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1872546672.pdb or /var/tmp/from_scwrl_1872546672_b.pdb or /var/tmp/from_scwrl_1872546672_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 # Found a chain break before 209 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS1 # request to SCWRL produces command: ulimit -t 210 ; scwrl3 -i /var/tmp/to_scwrl_1135797926.pdb -s /var/tmp/to_scwrl_1135797926.seq -o /var/tmp/from_scwrl_1135797926.pdb > /var/tmp/scwrl_1135797926.log sh: /var/tmp/scwrl_1135797926.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1135797926.pdb or /var/tmp/from_scwrl_1135797926.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1135797926_b.pdb or decoys//var/tmp/from_scwrl_1135797926_b.pdb.gz for input Trying /var/tmp/from_scwrl_1135797926_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1135797926_b.pdb or /var/tmp/from_scwrl_1135797926_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1135797926_a.pdb or decoys//var/tmp/from_scwrl_1135797926_a.pdb.gz for input Trying /var/tmp/from_scwrl_1135797926_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1135797926_a.pdb or /var/tmp/from_scwrl_1135797926_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1135797926.pdb or /var/tmp/from_scwrl_1135797926_b.pdb or /var/tmp/from_scwrl_1135797926_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 90 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS2 # request to SCWRL produces command: ulimit -t 210 ; scwrl3 -i /var/tmp/to_scwrl_984387461.pdb -s /var/tmp/to_scwrl_984387461.seq -o /var/tmp/from_scwrl_984387461.pdb > /var/tmp/scwrl_984387461.log sh: /var/tmp/scwrl_984387461.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_984387461.pdb or /var/tmp/from_scwrl_984387461.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_984387461_b.pdb or decoys//var/tmp/from_scwrl_984387461_b.pdb.gz for input Trying /var/tmp/from_scwrl_984387461_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_984387461_b.pdb or /var/tmp/from_scwrl_984387461_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_984387461_a.pdb or decoys//var/tmp/from_scwrl_984387461_a.pdb.gz for input Trying /var/tmp/from_scwrl_984387461_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_984387461_a.pdb or /var/tmp/from_scwrl_984387461_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_984387461.pdb or /var/tmp/from_scwrl_984387461_b.pdb or /var/tmp/from_scwrl_984387461_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 227 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS3 # request to SCWRL produces command: ulimit -t 210 ; scwrl3 -i /var/tmp/to_scwrl_1210793925.pdb -s /var/tmp/to_scwrl_1210793925.seq -o /var/tmp/from_scwrl_1210793925.pdb > /var/tmp/scwrl_1210793925.log sh: /var/tmp/scwrl_1210793925.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1210793925.pdb or /var/tmp/from_scwrl_1210793925.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1210793925_b.pdb or decoys//var/tmp/from_scwrl_1210793925_b.pdb.gz for input Trying /var/tmp/from_scwrl_1210793925_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1210793925_b.pdb or /var/tmp/from_scwrl_1210793925_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1210793925_a.pdb or decoys//var/tmp/from_scwrl_1210793925_a.pdb.gz for input Trying /var/tmp/from_scwrl_1210793925_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1210793925_a.pdb or /var/tmp/from_scwrl_1210793925_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1210793925.pdb or /var/tmp/from_scwrl_1210793925_b.pdb or /var/tmp/from_scwrl_1210793925_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 107 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS4 # request to SCWRL produces command: ulimit -t 210 ; scwrl3 -i /var/tmp/to_scwrl_1761234953.pdb -s /var/tmp/to_scwrl_1761234953.seq -o /var/tmp/from_scwrl_1761234953.pdb > /var/tmp/scwrl_1761234953.log sh: /var/tmp/scwrl_1761234953.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1761234953.pdb or /var/tmp/from_scwrl_1761234953.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1761234953_b.pdb or decoys//var/tmp/from_scwrl_1761234953_b.pdb.gz for input Trying /var/tmp/from_scwrl_1761234953_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1761234953_b.pdb or /var/tmp/from_scwrl_1761234953_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1761234953_a.pdb or decoys//var/tmp/from_scwrl_1761234953_a.pdb.gz for input Trying /var/tmp/from_scwrl_1761234953_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1761234953_a.pdb or /var/tmp/from_scwrl_1761234953_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1761234953.pdb or /var/tmp/from_scwrl_1761234953_b.pdb or /var/tmp/from_scwrl_1761234953_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 227 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS5 # request to SCWRL produces command: ulimit -t 210 ; scwrl3 -i /var/tmp/to_scwrl_1011425978.pdb -s /var/tmp/to_scwrl_1011425978.seq -o /var/tmp/from_scwrl_1011425978.pdb > /var/tmp/scwrl_1011425978.log sh: /var/tmp/scwrl_1011425978.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1011425978.pdb or /var/tmp/from_scwrl_1011425978.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1011425978_b.pdb or decoys//var/tmp/from_scwrl_1011425978_b.pdb.gz for input Trying /var/tmp/from_scwrl_1011425978_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1011425978_b.pdb or /var/tmp/from_scwrl_1011425978_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1011425978_a.pdb or decoys//var/tmp/from_scwrl_1011425978_a.pdb.gz for input Trying /var/tmp/from_scwrl_1011425978_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1011425978_a.pdb or /var/tmp/from_scwrl_1011425978_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1011425978.pdb or /var/tmp/from_scwrl_1011425978_b.pdb or /var/tmp/from_scwrl_1011425978_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 # Found a chain break before 209 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS1 # request to SCWRL produces command: ulimit -t 210 ; scwrl3 -i /var/tmp/to_scwrl_1116152806.pdb -s /var/tmp/to_scwrl_1116152806.seq -o /var/tmp/from_scwrl_1116152806.pdb > /var/tmp/scwrl_1116152806.log sh: /var/tmp/scwrl_1116152806.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1116152806.pdb or /var/tmp/from_scwrl_1116152806.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1116152806_b.pdb or decoys//var/tmp/from_scwrl_1116152806_b.pdb.gz for input Trying /var/tmp/from_scwrl_1116152806_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1116152806_b.pdb or /var/tmp/from_scwrl_1116152806_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1116152806_a.pdb or decoys//var/tmp/from_scwrl_1116152806_a.pdb.gz for input Trying /var/tmp/from_scwrl_1116152806_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1116152806_a.pdb or /var/tmp/from_scwrl_1116152806_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1116152806.pdb or /var/tmp/from_scwrl_1116152806_b.pdb or /var/tmp/from_scwrl_1116152806_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 201 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS2 # request to SCWRL produces command: ulimit -t 210 ; scwrl3 -i /var/tmp/to_scwrl_1725913123.pdb -s /var/tmp/to_scwrl_1725913123.seq -o /var/tmp/from_scwrl_1725913123.pdb > /var/tmp/scwrl_1725913123.log sh: /var/tmp/scwrl_1725913123.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1725913123.pdb or /var/tmp/from_scwrl_1725913123.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1725913123_b.pdb or decoys//var/tmp/from_scwrl_1725913123_b.pdb.gz for input Trying /var/tmp/from_scwrl_1725913123_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1725913123_b.pdb or /var/tmp/from_scwrl_1725913123_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1725913123_a.pdb or decoys//var/tmp/from_scwrl_1725913123_a.pdb.gz for input Trying /var/tmp/from_scwrl_1725913123_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1725913123_a.pdb or /var/tmp/from_scwrl_1725913123_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1725913123.pdb or /var/tmp/from_scwrl_1725913123_b.pdb or /var/tmp/from_scwrl_1725913123_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 199 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS3 # request to SCWRL produces command: ulimit -t 210 ; scwrl3 -i /var/tmp/to_scwrl_598663451.pdb -s /var/tmp/to_scwrl_598663451.seq -o /var/tmp/from_scwrl_598663451.pdb > /var/tmp/scwrl_598663451.log sh: /var/tmp/scwrl_598663451.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_598663451.pdb or /var/tmp/from_scwrl_598663451.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_598663451_b.pdb or decoys//var/tmp/from_scwrl_598663451_b.pdb.gz for input Trying /var/tmp/from_scwrl_598663451_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_598663451_b.pdb or /var/tmp/from_scwrl_598663451_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_598663451_a.pdb or decoys//var/tmp/from_scwrl_598663451_a.pdb.gz for input Trying /var/tmp/from_scwrl_598663451_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_598663451_a.pdb or /var/tmp/from_scwrl_598663451_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_598663451.pdb or /var/tmp/from_scwrl_598663451_b.pdb or /var/tmp/from_scwrl_598663451_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 205 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS4 # request to SCWRL produces command: ulimit -t 210 ; scwrl3 -i /var/tmp/to_scwrl_1730198234.pdb -s /var/tmp/to_scwrl_1730198234.seq -o /var/tmp/from_scwrl_1730198234.pdb > /var/tmp/scwrl_1730198234.log sh: /var/tmp/scwrl_1730198234.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1730198234.pdb or /var/tmp/from_scwrl_1730198234.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1730198234_b.pdb or decoys//var/tmp/from_scwrl_1730198234_b.pdb.gz for input Trying /var/tmp/from_scwrl_1730198234_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1730198234_b.pdb or /var/tmp/from_scwrl_1730198234_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1730198234_a.pdb or decoys//var/tmp/from_scwrl_1730198234_a.pdb.gz for input Trying /var/tmp/from_scwrl_1730198234_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1730198234_a.pdb or /var/tmp/from_scwrl_1730198234_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1730198234.pdb or /var/tmp/from_scwrl_1730198234_b.pdb or /var/tmp/from_scwrl_1730198234_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 149 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS5 # request to SCWRL produces command: ulimit -t 210 ; scwrl3 -i /var/tmp/to_scwrl_698738051.pdb -s /var/tmp/to_scwrl_698738051.seq -o /var/tmp/from_scwrl_698738051.pdb > /var/tmp/scwrl_698738051.log sh: /var/tmp/scwrl_698738051.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_698738051.pdb or /var/tmp/from_scwrl_698738051.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_698738051_b.pdb or decoys//var/tmp/from_scwrl_698738051_b.pdb.gz for input Trying /var/tmp/from_scwrl_698738051_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_698738051_b.pdb or /var/tmp/from_scwrl_698738051_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_698738051_a.pdb or decoys//var/tmp/from_scwrl_698738051_a.pdb.gz for input Trying /var/tmp/from_scwrl_698738051_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_698738051_a.pdb or /var/tmp/from_scwrl_698738051_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_698738051.pdb or /var/tmp/from_scwrl_698738051_b.pdb or /var/tmp/from_scwrl_698738051_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 145 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS1 # request to SCWRL produces command: ulimit -t 210 ; scwrl3 -i /var/tmp/to_scwrl_1644758856.pdb -s /var/tmp/to_scwrl_1644758856.seq -o /var/tmp/from_scwrl_1644758856.pdb > /var/tmp/scwrl_1644758856.log sh: /var/tmp/scwrl_1644758856.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1644758856.pdb or /var/tmp/from_scwrl_1644758856.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1644758856_b.pdb or decoys//var/tmp/from_scwrl_1644758856_b.pdb.gz for input Trying /var/tmp/from_scwrl_1644758856_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1644758856_b.pdb or /var/tmp/from_scwrl_1644758856_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1644758856_a.pdb or decoys//var/tmp/from_scwrl_1644758856_a.pdb.gz for input Trying /var/tmp/from_scwrl_1644758856_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1644758856_a.pdb or /var/tmp/from_scwrl_1644758856_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1644758856.pdb or /var/tmp/from_scwrl_1644758856_b.pdb or /var/tmp/from_scwrl_1644758856_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 162 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS2 # request to SCWRL produces command: ulimit -t 210 ; scwrl3 -i /var/tmp/to_scwrl_385926156.pdb -s /var/tmp/to_scwrl_385926156.seq -o /var/tmp/from_scwrl_385926156.pdb > /var/tmp/scwrl_385926156.log sh: /var/tmp/scwrl_385926156.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_385926156.pdb or /var/tmp/from_scwrl_385926156.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_385926156_b.pdb or decoys//var/tmp/from_scwrl_385926156_b.pdb.gz for input Trying /var/tmp/from_scwrl_385926156_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_385926156_b.pdb or /var/tmp/from_scwrl_385926156_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_385926156_a.pdb or decoys//var/tmp/from_scwrl_385926156_a.pdb.gz for input Trying /var/tmp/from_scwrl_385926156_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_385926156_a.pdb or /var/tmp/from_scwrl_385926156_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_385926156.pdb or /var/tmp/from_scwrl_385926156_b.pdb or /var/tmp/from_scwrl_385926156_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 142 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS3 # request to SCWRL produces command: ulimit -t 210 ; scwrl3 -i /var/tmp/to_scwrl_489026254.pdb -s /var/tmp/to_scwrl_489026254.seq -o /var/tmp/from_scwrl_489026254.pdb > /var/tmp/scwrl_489026254.log sh: /var/tmp/scwrl_489026254.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_489026254.pdb or /var/tmp/from_scwrl_489026254.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_489026254_b.pdb or decoys//var/tmp/from_scwrl_489026254_b.pdb.gz for input Trying /var/tmp/from_scwrl_489026254_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_489026254_b.pdb or /var/tmp/from_scwrl_489026254_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_489026254_a.pdb or decoys//var/tmp/from_scwrl_489026254_a.pdb.gz for input Trying /var/tmp/from_scwrl_489026254_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_489026254_a.pdb or /var/tmp/from_scwrl_489026254_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_489026254.pdb or /var/tmp/from_scwrl_489026254_b.pdb or /var/tmp/from_scwrl_489026254_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 117 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS4 # request to SCWRL produces command: ulimit -t 210 ; scwrl3 -i /var/tmp/to_scwrl_263796661.pdb -s /var/tmp/to_scwrl_263796661.seq -o /var/tmp/from_scwrl_263796661.pdb > /var/tmp/scwrl_263796661.log sh: /var/tmp/scwrl_263796661.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_263796661.pdb or /var/tmp/from_scwrl_263796661.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_263796661_b.pdb or decoys//var/tmp/from_scwrl_263796661_b.pdb.gz for input Trying /var/tmp/from_scwrl_263796661_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_263796661_b.pdb or /var/tmp/from_scwrl_263796661_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_263796661_a.pdb or decoys//var/tmp/from_scwrl_263796661_a.pdb.gz for input Trying /var/tmp/from_scwrl_263796661_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_263796661_a.pdb or /var/tmp/from_scwrl_263796661_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_263796661.pdb or /var/tmp/from_scwrl_263796661_b.pdb or /var/tmp/from_scwrl_263796661_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 89 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS5 # request to SCWRL produces command: ulimit -t 210 ; scwrl3 -i /var/tmp/to_scwrl_11908206.pdb -s /var/tmp/to_scwrl_11908206.seq -o /var/tmp/from_scwrl_11908206.pdb > /var/tmp/scwrl_11908206.log sh: /var/tmp/scwrl_11908206.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_11908206.pdb or /var/tmp/from_scwrl_11908206.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_11908206_b.pdb or decoys//var/tmp/from_scwrl_11908206_b.pdb.gz for input Trying /var/tmp/from_scwrl_11908206_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_11908206_b.pdb or /var/tmp/from_scwrl_11908206_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_11908206_a.pdb or decoys//var/tmp/from_scwrl_11908206_a.pdb.gz for input Trying /var/tmp/from_scwrl_11908206_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_11908206_a.pdb or /var/tmp/from_scwrl_11908206_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_11908206.pdb or /var/tmp/from_scwrl_11908206_b.pdb or /var/tmp/from_scwrl_11908206_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 201 # copying to AlignedFragments data structure # naming current conformation ROKKY_TS1 # request to SCWRL produces command: ulimit -t 210 ; scwrl3 -i /var/tmp/to_scwrl_62922602.pdb -s /var/tmp/to_scwrl_62922602.seq -o /var/tmp/from_scwrl_62922602.pdb > /var/tmp/scwrl_62922602.log sh: /var/tmp/scwrl_62922602.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_62922602.pdb or /var/tmp/from_scwrl_62922602.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_62922602_b.pdb or decoys//var/tmp/from_scwrl_62922602_b.pdb.gz for input Trying /var/tmp/from_scwrl_62922602_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_62922602_b.pdb or /var/tmp/from_scwrl_62922602_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_62922602_a.pdb or decoys//var/tmp/from_scwrl_62922602_a.pdb.gz for input Trying /var/tmp/from_scwrl_62922602_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_62922602_a.pdb or /var/tmp/from_scwrl_62922602_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_62922602.pdb or /var/tmp/from_scwrl_62922602_b.pdb or /var/tmp/from_scwrl_62922602_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 223 # copying to AlignedFragments data structure # naming current conformation ROKKY_TS2 # request to SCWRL produces command: ulimit -t 210 ; scwrl3 -i /var/tmp/to_scwrl_1444126898.pdb -s /var/tmp/to_scwrl_1444126898.seq -o /var/tmp/from_scwrl_1444126898.pdb > /var/tmp/scwrl_1444126898.log sh: /var/tmp/scwrl_1444126898.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1444126898.pdb or /var/tmp/from_scwrl_1444126898.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1444126898_b.pdb or decoys//var/tmp/from_scwrl_1444126898_b.pdb.gz for input Trying /var/tmp/from_scwrl_1444126898_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1444126898_b.pdb or /var/tmp/from_scwrl_1444126898_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1444126898_a.pdb or decoys//var/tmp/from_scwrl_1444126898_a.pdb.gz for input Trying /var/tmp/from_scwrl_1444126898_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1444126898_a.pdb or /var/tmp/from_scwrl_1444126898_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1444126898.pdb or /var/tmp/from_scwrl_1444126898_b.pdb or /var/tmp/from_scwrl_1444126898_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 208 # copying to AlignedFragments data structure # naming current conformation ROKKY_TS3 # request to SCWRL produces command: ulimit -t 210 ; scwrl3 -i /var/tmp/to_scwrl_1658121346.pdb -s /var/tmp/to_scwrl_1658121346.seq -o /var/tmp/from_scwrl_1658121346.pdb > /var/tmp/scwrl_1658121346.log sh: /var/tmp/scwrl_1658121346.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1658121346.pdb or /var/tmp/from_scwrl_1658121346.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1658121346_b.pdb or decoys//var/tmp/from_scwrl_1658121346_b.pdb.gz for input Trying /var/tmp/from_scwrl_1658121346_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1658121346_b.pdb or /var/tmp/from_scwrl_1658121346_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1658121346_a.pdb or decoys//var/tmp/from_scwrl_1658121346_a.pdb.gz for input Trying /var/tmp/from_scwrl_1658121346_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1658121346_a.pdb or /var/tmp/from_scwrl_1658121346_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1658121346.pdb or /var/tmp/from_scwrl_1658121346_b.pdb or /var/tmp/from_scwrl_1658121346_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 207 # copying to AlignedFragments data structure # naming current conformation ROKKY_TS4 # request to SCWRL produces command: ulimit -t 210 ; scwrl3 -i /var/tmp/to_scwrl_1246615925.pdb -s /var/tmp/to_scwrl_1246615925.seq -o /var/tmp/from_scwrl_1246615925.pdb > /var/tmp/scwrl_1246615925.log sh: /var/tmp/scwrl_1246615925.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1246615925.pdb or /var/tmp/from_scwrl_1246615925.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1246615925_b.pdb or decoys//var/tmp/from_scwrl_1246615925_b.pdb.gz for input Trying /var/tmp/from_scwrl_1246615925_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1246615925_b.pdb or /var/tmp/from_scwrl_1246615925_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1246615925_a.pdb or decoys//var/tmp/from_scwrl_1246615925_a.pdb.gz for input Trying /var/tmp/from_scwrl_1246615925_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1246615925_a.pdb or /var/tmp/from_scwrl_1246615925_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1246615925.pdb or /var/tmp/from_scwrl_1246615925_b.pdb or /var/tmp/from_scwrl_1246615925_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 149 # copying to AlignedFragments data structure # naming current conformation ROKKY_TS5 # request to SCWRL produces command: ulimit -t 210 ; scwrl3 -i /var/tmp/to_scwrl_23577264.pdb -s /var/tmp/to_scwrl_23577264.seq -o /var/tmp/from_scwrl_23577264.pdb > /var/tmp/scwrl_23577264.log sh: /var/tmp/scwrl_23577264.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_23577264.pdb or /var/tmp/from_scwrl_23577264.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_23577264_b.pdb or decoys//var/tmp/from_scwrl_23577264_b.pdb.gz for input Trying /var/tmp/from_scwrl_23577264_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_23577264_b.pdb or /var/tmp/from_scwrl_23577264_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_23577264_a.pdb or decoys//var/tmp/from_scwrl_23577264_a.pdb.gz for input Trying /var/tmp/from_scwrl_23577264_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_23577264_a.pdb or /var/tmp/from_scwrl_23577264_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_23577264.pdb or /var/tmp/from_scwrl_23577264_b.pdb or /var/tmp/from_scwrl_23577264_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 T0330 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL1 # request to SCWRL produces command: ulimit -t 210 ; scwrl3 -i /var/tmp/to_scwrl_670820777.pdb -s /var/tmp/to_scwrl_670820777.seq -o /var/tmp/from_scwrl_670820777.pdb > /var/tmp/scwrl_670820777.log sh: /var/tmp/scwrl_670820777.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_670820777.pdb or /var/tmp/from_scwrl_670820777.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_670820777_b.pdb or decoys//var/tmp/from_scwrl_670820777_b.pdb.gz for input Trying /var/tmp/from_scwrl_670820777_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_670820777_b.pdb or /var/tmp/from_scwrl_670820777_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_670820777_a.pdb or decoys//var/tmp/from_scwrl_670820777_a.pdb.gz for input Trying /var/tmp/from_scwrl_670820777_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_670820777_a.pdb or /var/tmp/from_scwrl_670820777_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_670820777.pdb or /var/tmp/from_scwrl_670820777_b.pdb or /var/tmp/from_scwrl_670820777_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 Skipped atom 310, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL2.pdb.gz Skipped atom 312, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL2.pdb.gz Skipped atom 314, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL2.pdb.gz Skipped atom 316, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL2.pdb.gz Skipped atom 362, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL2.pdb.gz Skipped atom 364, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL2.pdb.gz Skipped atom 366, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL2.pdb.gz Skipped atom 368, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL2.pdb.gz Skipped atom 382, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL2.pdb.gz Skipped atom 384, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL2.pdb.gz Skipped atom 386, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL2.pdb.gz Skipped atom 388, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL2.pdb.gz Skipped atom 390, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL2.pdb.gz Skipped atom 392, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL2.pdb.gz Skipped atom 394, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL2.pdb.gz Skipped atom 396, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL2.pdb.gz Skipped atom 670, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL2.pdb.gz Skipped atom 672, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL2.pdb.gz Skipped atom 674, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL2.pdb.gz Skipped atom 676, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL2.pdb.gz # WARNING: incomplete conformation T0330 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL2 # request to SCWRL produces command: ulimit -t 210 ; scwrl3 -i /var/tmp/to_scwrl_460933931.pdb -s /var/tmp/to_scwrl_460933931.seq -o /var/tmp/from_scwrl_460933931.pdb > /var/tmp/scwrl_460933931.log sh: /var/tmp/scwrl_460933931.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_460933931.pdb or /var/tmp/from_scwrl_460933931.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_460933931_b.pdb or decoys//var/tmp/from_scwrl_460933931_b.pdb.gz for input Trying /var/tmp/from_scwrl_460933931_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_460933931_b.pdb or /var/tmp/from_scwrl_460933931_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_460933931_a.pdb or decoys//var/tmp/from_scwrl_460933931_a.pdb.gz for input Trying /var/tmp/from_scwrl_460933931_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_460933931_a.pdb or /var/tmp/from_scwrl_460933931_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_460933931.pdb or /var/tmp/from_scwrl_460933931_b.pdb or /var/tmp/from_scwrl_460933931_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 T0330 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL3 # request to SCWRL produces command: ulimit -t 210 ; scwrl3 -i /var/tmp/to_scwrl_721133292.pdb -s /var/tmp/to_scwrl_721133292.seq -o /var/tmp/from_scwrl_721133292.pdb > /var/tmp/scwrl_721133292.log sh: /var/tmp/scwrl_721133292.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_721133292.pdb or /var/tmp/from_scwrl_721133292.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_721133292_b.pdb or decoys//var/tmp/from_scwrl_721133292_b.pdb.gz for input Trying /var/tmp/from_scwrl_721133292_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_721133292_b.pdb or /var/tmp/from_scwrl_721133292_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_721133292_a.pdb or decoys//var/tmp/from_scwrl_721133292_a.pdb.gz for input Trying /var/tmp/from_scwrl_721133292_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_721133292_a.pdb or /var/tmp/from_scwrl_721133292_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_721133292.pdb or /var/tmp/from_scwrl_721133292_b.pdb or /var/tmp/from_scwrl_721133292_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 Skipped atom 11, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL4.pdb.gz Skipped atom 304, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL4.pdb.gz # WARNING: incomplete conformation T0330 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL4 # request to SCWRL produces command: ulimit -t 210 ; scwrl3 -i /var/tmp/to_scwrl_1576199592.pdb -s /var/tmp/to_scwrl_1576199592.seq -o /var/tmp/from_scwrl_1576199592.pdb > /var/tmp/scwrl_1576199592.log sh: /var/tmp/scwrl_1576199592.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1576199592.pdb or /var/tmp/from_scwrl_1576199592.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1576199592_b.pdb or decoys//var/tmp/from_scwrl_1576199592_b.pdb.gz for input Trying /var/tmp/from_scwrl_1576199592_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1576199592_b.pdb or /var/tmp/from_scwrl_1576199592_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1576199592_a.pdb or decoys//var/tmp/from_scwrl_1576199592_a.pdb.gz for input Trying /var/tmp/from_scwrl_1576199592_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1576199592_a.pdb or /var/tmp/from_scwrl_1576199592_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1576199592.pdb or /var/tmp/from_scwrl_1576199592_b.pdb or /var/tmp/from_scwrl_1576199592_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 30, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL5.pdb.gz Skipped atom 32, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL5.pdb.gz Skipped atom 34, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL5.pdb.gz Skipped atom 36, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL5.pdb.gz Skipped atom 94, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL5.pdb.gz Skipped atom 96, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL5.pdb.gz Skipped atom 98, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL5.pdb.gz Skipped atom 100, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL5.pdb.gz Skipped atom 202, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL5.pdb.gz Skipped atom 204, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL5.pdb.gz Skipped atom 206, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL5.pdb.gz Skipped atom 208, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL5.pdb.gz Skipped atom 258, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL5.pdb.gz Skipped atom 260, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL5.pdb.gz Skipped atom 262, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL5.pdb.gz Skipped atom 264, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL5.pdb.gz Skipped atom 502, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL5.pdb.gz Skipped atom 504, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL5.pdb.gz Skipped atom 506, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL5.pdb.gz Skipped atom 508, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL5.pdb.gz # WARNING: incomplete conformation T0330 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL5 # request to SCWRL produces command: ulimit -t 210 ; scwrl3 -i /var/tmp/to_scwrl_471384627.pdb -s /var/tmp/to_scwrl_471384627.seq -o /var/tmp/from_scwrl_471384627.pdb > /var/tmp/scwrl_471384627.log sh: /var/tmp/scwrl_471384627.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_471384627.pdb or /var/tmp/from_scwrl_471384627.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_471384627_b.pdb or decoys//var/tmp/from_scwrl_471384627_b.pdb.gz for input Trying /var/tmp/from_scwrl_471384627_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_471384627_b.pdb or /var/tmp/from_scwrl_471384627_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_471384627_a.pdb or decoys//var/tmp/from_scwrl_471384627_a.pdb.gz for input Trying /var/tmp/from_scwrl_471384627_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_471384627_a.pdb or /var/tmp/from_scwrl_471384627_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_471384627.pdb or /var/tmp/from_scwrl_471384627_b.pdb or /var/tmp/from_scwrl_471384627_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 Skipped atom 182, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL1.pdb.gz Skipped atom 184, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL1.pdb.gz Skipped atom 186, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL1.pdb.gz Skipped atom 188, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL1.pdb.gz Skipped atom 190, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL1.pdb.gz Skipped atom 192, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL1.pdb.gz Skipped atom 194, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL1.pdb.gz Skipped atom 196, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL1.pdb.gz Skipped atom 278, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL1.pdb.gz Skipped atom 280, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL1.pdb.gz Skipped atom 282, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL1.pdb.gz Skipped atom 284, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL1.pdb.gz # WARNING: incomplete conformation T0330 can't currently be optimized by undertaker # naming current conformation SAM-T99_AL1 # request to SCWRL produces command: ulimit -t 210 ; scwrl3 -i /var/tmp/to_scwrl_331732794.pdb -s /var/tmp/to_scwrl_331732794.seq -o /var/tmp/from_scwrl_331732794.pdb > /var/tmp/scwrl_331732794.log sh: /var/tmp/scwrl_331732794.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_331732794.pdb or /var/tmp/from_scwrl_331732794.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_331732794_b.pdb or decoys//var/tmp/from_scwrl_331732794_b.pdb.gz for input Trying /var/tmp/from_scwrl_331732794_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_331732794_b.pdb or /var/tmp/from_scwrl_331732794_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_331732794_a.pdb or decoys//var/tmp/from_scwrl_331732794_a.pdb.gz for input Trying /var/tmp/from_scwrl_331732794_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_331732794_a.pdb or /var/tmp/from_scwrl_331732794_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_331732794.pdb or /var/tmp/from_scwrl_331732794_b.pdb or /var/tmp/from_scwrl_331732794_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 T0330 can't currently be optimized by undertaker # naming current conformation SAM-T99_AL2 # request to SCWRL produces command: ulimit -t 210 ; scwrl3 -i /var/tmp/to_scwrl_1618999263.pdb -s /var/tmp/to_scwrl_1618999263.seq -o /var/tmp/from_scwrl_1618999263.pdb > /var/tmp/scwrl_1618999263.log sh: /var/tmp/scwrl_1618999263.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1618999263.pdb or /var/tmp/from_scwrl_1618999263.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1618999263_b.pdb or decoys//var/tmp/from_scwrl_1618999263_b.pdb.gz for input Trying /var/tmp/from_scwrl_1618999263_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1618999263_b.pdb or /var/tmp/from_scwrl_1618999263_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1618999263_a.pdb or decoys//var/tmp/from_scwrl_1618999263_a.pdb.gz for input Trying /var/tmp/from_scwrl_1618999263_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1618999263_a.pdb or /var/tmp/from_scwrl_1618999263_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1618999263.pdb or /var/tmp/from_scwrl_1618999263_b.pdb or /var/tmp/from_scwrl_1618999263_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 106, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL3.pdb.gz Skipped atom 108, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL3.pdb.gz Skipped atom 110, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL3.pdb.gz Skipped atom 112, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL3.pdb.gz Skipped atom 118, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL3.pdb.gz Skipped atom 120, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL3.pdb.gz Skipped atom 122, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL3.pdb.gz Skipped atom 124, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL3.pdb.gz Skipped atom 142, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL3.pdb.gz Skipped atom 144, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL3.pdb.gz Skipped atom 146, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL3.pdb.gz Skipped atom 148, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL3.pdb.gz Skipped atom 278, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL3.pdb.gz Skipped atom 280, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL3.pdb.gz Skipped atom 282, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL3.pdb.gz Skipped atom 284, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL3.pdb.gz Skipped atom 382, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL3.pdb.gz Skipped atom 384, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL3.pdb.gz Skipped atom 386, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL3.pdb.gz Skipped atom 388, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL3.pdb.gz Skipped atom 430, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL3.pdb.gz Skipped atom 432, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL3.pdb.gz Skipped atom 434, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL3.pdb.gz Skipped atom 436, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL3.pdb.gz Skipped atom 590, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL3.pdb.gz Skipped atom 592, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL3.pdb.gz Skipped atom 594, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL3.pdb.gz Skipped atom 596, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL3.pdb.gz Skipped atom 886, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL3.pdb.gz Skipped atom 888, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL3.pdb.gz Skipped atom 890, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL3.pdb.gz # WARNING: incomplete conformation T0330 can't currently be optimized by undertaker # naming current conformation SAM-T99_AL3 # request to SCWRL produces command: ulimit -t 210 ; scwrl3 -i /var/tmp/to_scwrl_516344193.pdb -s /var/tmp/to_scwrl_516344193.seq -o /var/tmp/from_scwrl_516344193.pdb > /var/tmp/scwrl_516344193.log sh: /var/tmp/scwrl_516344193.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_516344193.pdb or /var/tmp/from_scwrl_516344193.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_516344193_b.pdb or decoys//var/tmp/from_scwrl_516344193_b.pdb.gz for input Trying /var/tmp/from_scwrl_516344193_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_516344193_b.pdb or /var/tmp/from_scwrl_516344193_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_516344193_a.pdb or decoys//var/tmp/from_scwrl_516344193_a.pdb.gz for input Trying /var/tmp/from_scwrl_516344193_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_516344193_a.pdb or /var/tmp/from_scwrl_516344193_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_516344193.pdb or /var/tmp/from_scwrl_516344193_b.pdb or /var/tmp/from_scwrl_516344193_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 T0330 can't currently be optimized by undertaker # naming current conformation SAM-T99_AL4 # request to SCWRL produces command: ulimit -t 210 ; scwrl3 -i /var/tmp/to_scwrl_331692681.pdb -s /var/tmp/to_scwrl_331692681.seq -o /var/tmp/from_scwrl_331692681.pdb > /var/tmp/scwrl_331692681.log sh: /var/tmp/scwrl_331692681.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_331692681.pdb or /var/tmp/from_scwrl_331692681.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_331692681_b.pdb or decoys//var/tmp/from_scwrl_331692681_b.pdb.gz for input Trying /var/tmp/from_scwrl_331692681_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_331692681_b.pdb or /var/tmp/from_scwrl_331692681_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_331692681_a.pdb or decoys//var/tmp/from_scwrl_331692681_a.pdb.gz for input Trying /var/tmp/from_scwrl_331692681_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_331692681_a.pdb or /var/tmp/from_scwrl_331692681_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_331692681.pdb or /var/tmp/from_scwrl_331692681_b.pdb or /var/tmp/from_scwrl_331692681_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 T0330 can't currently be optimized by undertaker # naming current conformation SAM-T99_AL5 # request to SCWRL produces command: ulimit -t 210 ; scwrl3 -i /var/tmp/to_scwrl_1748262269.pdb -s /var/tmp/to_scwrl_1748262269.seq -o /var/tmp/from_scwrl_1748262269.pdb > /var/tmp/scwrl_1748262269.log sh: /var/tmp/scwrl_1748262269.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1748262269.pdb or /var/tmp/from_scwrl_1748262269.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1748262269_b.pdb or decoys//var/tmp/from_scwrl_1748262269_b.pdb.gz for input Trying /var/tmp/from_scwrl_1748262269_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1748262269_b.pdb or /var/tmp/from_scwrl_1748262269_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1748262269_a.pdb or decoys//var/tmp/from_scwrl_1748262269_a.pdb.gz for input Trying /var/tmp/from_scwrl_1748262269_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1748262269_a.pdb or /var/tmp/from_scwrl_1748262269_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1748262269.pdb or /var/tmp/from_scwrl_1748262269_b.pdb or /var/tmp/from_scwrl_1748262269_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 215 # copying to AlignedFragments data structure # naming current conformation SAM_T06_server_TS1 # request to SCWRL produces command: ulimit -t 210 ; scwrl3 -i /var/tmp/to_scwrl_241407218.pdb -s /var/tmp/to_scwrl_241407218.seq -o /var/tmp/from_scwrl_241407218.pdb > /var/tmp/scwrl_241407218.log sh: /var/tmp/scwrl_241407218.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_241407218.pdb or /var/tmp/from_scwrl_241407218.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_241407218_b.pdb or decoys//var/tmp/from_scwrl_241407218_b.pdb.gz for input Trying /var/tmp/from_scwrl_241407218_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_241407218_b.pdb or /var/tmp/from_scwrl_241407218_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_241407218_a.pdb or decoys//var/tmp/from_scwrl_241407218_a.pdb.gz for input Trying /var/tmp/from_scwrl_241407218_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_241407218_a.pdb or /var/tmp/from_scwrl_241407218_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_241407218.pdb or /var/tmp/from_scwrl_241407218_b.pdb or /var/tmp/from_scwrl_241407218_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 T0330 can't currently be optimized by undertaker # naming current conformation SAM_T06_server_TS2 # request to SCWRL produces command: ulimit -t 210 ; scwrl3 -i /var/tmp/to_scwrl_1467490607.pdb -s /var/tmp/to_scwrl_1467490607.seq -o /var/tmp/from_scwrl_1467490607.pdb > /var/tmp/scwrl_1467490607.log sh: /var/tmp/scwrl_1467490607.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1467490607.pdb or /var/tmp/from_scwrl_1467490607.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1467490607_b.pdb or decoys//var/tmp/from_scwrl_1467490607_b.pdb.gz for input Trying /var/tmp/from_scwrl_1467490607_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1467490607_b.pdb or /var/tmp/from_scwrl_1467490607_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1467490607_a.pdb or decoys//var/tmp/from_scwrl_1467490607_a.pdb.gz for input Trying /var/tmp/from_scwrl_1467490607_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1467490607_a.pdb or /var/tmp/from_scwrl_1467490607_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1467490607.pdb or /var/tmp/from_scwrl_1467490607_b.pdb or /var/tmp/from_scwrl_1467490607_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 T0330 can't currently be optimized by undertaker # naming current conformation SAM_T06_server_TS3 # request to SCWRL produces command: ulimit -t 210 ; scwrl3 -i /var/tmp/to_scwrl_585166083.pdb -s /var/tmp/to_scwrl_585166083.seq -o /var/tmp/from_scwrl_585166083.pdb > /var/tmp/scwrl_585166083.log sh: /var/tmp/scwrl_585166083.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_585166083.pdb or /var/tmp/from_scwrl_585166083.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_585166083_b.pdb or decoys//var/tmp/from_scwrl_585166083_b.pdb.gz for input Trying /var/tmp/from_scwrl_585166083_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_585166083_b.pdb or /var/tmp/from_scwrl_585166083_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_585166083_a.pdb or decoys//var/tmp/from_scwrl_585166083_a.pdb.gz for input Trying /var/tmp/from_scwrl_585166083_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_585166083_a.pdb or /var/tmp/from_scwrl_585166083_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_585166083.pdb or /var/tmp/from_scwrl_585166083_b.pdb or /var/tmp/from_scwrl_585166083_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 T0330 can't currently be optimized by undertaker # naming current conformation SAM_T06_server_TS4 # request to SCWRL produces command: ulimit -t 210 ; scwrl3 -i /var/tmp/to_scwrl_1452201143.pdb -s /var/tmp/to_scwrl_1452201143.seq -o /var/tmp/from_scwrl_1452201143.pdb > /var/tmp/scwrl_1452201143.log sh: /var/tmp/scwrl_1452201143.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1452201143.pdb or /var/tmp/from_scwrl_1452201143.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1452201143_b.pdb or decoys//var/tmp/from_scwrl_1452201143_b.pdb.gz for input Trying /var/tmp/from_scwrl_1452201143_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1452201143_b.pdb or /var/tmp/from_scwrl_1452201143_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1452201143_a.pdb or decoys//var/tmp/from_scwrl_1452201143_a.pdb.gz for input Trying /var/tmp/from_scwrl_1452201143_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1452201143_a.pdb or /var/tmp/from_scwrl_1452201143_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1452201143.pdb or /var/tmp/from_scwrl_1452201143_b.pdb or /var/tmp/from_scwrl_1452201143_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 T0330 can't currently be optimized by undertaker # naming current conformation SAM_T06_server_TS5 # request to SCWRL produces command: ulimit -t 210 ; scwrl3 -i /var/tmp/to_scwrl_1081241913.pdb -s /var/tmp/to_scwrl_1081241913.seq -o /var/tmp/from_scwrl_1081241913.pdb > /var/tmp/scwrl_1081241913.log sh: /var/tmp/scwrl_1081241913.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1081241913.pdb or /var/tmp/from_scwrl_1081241913.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1081241913_b.pdb or decoys//var/tmp/from_scwrl_1081241913_b.pdb.gz for input Trying /var/tmp/from_scwrl_1081241913_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1081241913_b.pdb or /var/tmp/from_scwrl_1081241913_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1081241913_a.pdb or decoys//var/tmp/from_scwrl_1081241913_a.pdb.gz for input Trying /var/tmp/from_scwrl_1081241913_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1081241913_a.pdb or /var/tmp/from_scwrl_1081241913_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1081241913.pdb or /var/tmp/from_scwrl_1081241913_b.pdb or /var/tmp/from_scwrl_1081241913_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 195 # copying to AlignedFragments data structure # naming current conformation SP3_TS1 # request to SCWRL produces command: ulimit -t 210 ; scwrl3 -i /var/tmp/to_scwrl_1596592061.pdb -s /var/tmp/to_scwrl_1596592061.seq -o /var/tmp/from_scwrl_1596592061.pdb > /var/tmp/scwrl_1596592061.log sh: /var/tmp/scwrl_1596592061.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1596592061.pdb or /var/tmp/from_scwrl_1596592061.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1596592061_b.pdb or decoys//var/tmp/from_scwrl_1596592061_b.pdb.gz for input Trying /var/tmp/from_scwrl_1596592061_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1596592061_b.pdb or /var/tmp/from_scwrl_1596592061_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1596592061_a.pdb or decoys//var/tmp/from_scwrl_1596592061_a.pdb.gz for input Trying /var/tmp/from_scwrl_1596592061_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1596592061_a.pdb or /var/tmp/from_scwrl_1596592061_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1596592061.pdb or /var/tmp/from_scwrl_1596592061_b.pdb or /var/tmp/from_scwrl_1596592061_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 149 # copying to AlignedFragments data structure # naming current conformation SP3_TS2 # request to SCWRL produces command: ulimit -t 210 ; scwrl3 -i /var/tmp/to_scwrl_420870304.pdb -s /var/tmp/to_scwrl_420870304.seq -o /var/tmp/from_scwrl_420870304.pdb > /var/tmp/scwrl_420870304.log sh: /var/tmp/scwrl_420870304.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_420870304.pdb or /var/tmp/from_scwrl_420870304.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_420870304_b.pdb or decoys//var/tmp/from_scwrl_420870304_b.pdb.gz for input Trying /var/tmp/from_scwrl_420870304_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_420870304_b.pdb or /var/tmp/from_scwrl_420870304_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_420870304_a.pdb or decoys//var/tmp/from_scwrl_420870304_a.pdb.gz for input Trying /var/tmp/from_scwrl_420870304_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_420870304_a.pdb or /var/tmp/from_scwrl_420870304_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_420870304.pdb or /var/tmp/from_scwrl_420870304_b.pdb or /var/tmp/from_scwrl_420870304_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 210 ; scwrl3 -i /var/tmp/to_scwrl_659671390.pdb -s /var/tmp/to_scwrl_659671390.seq -o /var/tmp/from_scwrl_659671390.pdb > /var/tmp/scwrl_659671390.log sh: /var/tmp/scwrl_659671390.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_659671390.pdb or /var/tmp/from_scwrl_659671390.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_659671390_b.pdb or decoys//var/tmp/from_scwrl_659671390_b.pdb.gz for input Trying /var/tmp/from_scwrl_659671390_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_659671390_b.pdb or /var/tmp/from_scwrl_659671390_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_659671390_a.pdb or decoys//var/tmp/from_scwrl_659671390_a.pdb.gz for input Trying /var/tmp/from_scwrl_659671390_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_659671390_a.pdb or /var/tmp/from_scwrl_659671390_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_659671390.pdb or /var/tmp/from_scwrl_659671390_b.pdb or /var/tmp/from_scwrl_659671390_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 149 # copying to AlignedFragments data structure # naming current conformation SP3_TS4 # request to SCWRL produces command: ulimit -t 210 ; scwrl3 -i /var/tmp/to_scwrl_47771865.pdb -s /var/tmp/to_scwrl_47771865.seq -o /var/tmp/from_scwrl_47771865.pdb > /var/tmp/scwrl_47771865.log sh: /var/tmp/scwrl_47771865.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_47771865.pdb or /var/tmp/from_scwrl_47771865.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_47771865_b.pdb or decoys//var/tmp/from_scwrl_47771865_b.pdb.gz for input Trying /var/tmp/from_scwrl_47771865_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_47771865_b.pdb or /var/tmp/from_scwrl_47771865_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_47771865_a.pdb or decoys//var/tmp/from_scwrl_47771865_a.pdb.gz for input Trying /var/tmp/from_scwrl_47771865_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_47771865_a.pdb or /var/tmp/from_scwrl_47771865_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_47771865.pdb or /var/tmp/from_scwrl_47771865_b.pdb or /var/tmp/from_scwrl_47771865_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 164 # copying to AlignedFragments data structure # naming current conformation SP3_TS5 # request to SCWRL produces command: ulimit -t 210 ; scwrl3 -i /var/tmp/to_scwrl_3584891.pdb -s /var/tmp/to_scwrl_3584891.seq -o /var/tmp/from_scwrl_3584891.pdb > /var/tmp/scwrl_3584891.log sh: /var/tmp/scwrl_3584891.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_3584891.pdb or /var/tmp/from_scwrl_3584891.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_3584891_b.pdb or decoys//var/tmp/from_scwrl_3584891_b.pdb.gz for input Trying /var/tmp/from_scwrl_3584891_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_3584891_b.pdb or /var/tmp/from_scwrl_3584891_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_3584891_a.pdb or decoys//var/tmp/from_scwrl_3584891_a.pdb.gz for input Trying /var/tmp/from_scwrl_3584891_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_3584891_a.pdb or /var/tmp/from_scwrl_3584891_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_3584891.pdb or /var/tmp/from_scwrl_3584891_b.pdb or /var/tmp/from_scwrl_3584891_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 # naming current conformation SP4_TS1 # request to SCWRL produces command: ulimit -t 210 ; scwrl3 -i /var/tmp/to_scwrl_1358409440.pdb -s /var/tmp/to_scwrl_1358409440.seq -o /var/tmp/from_scwrl_1358409440.pdb > /var/tmp/scwrl_1358409440.log sh: /var/tmp/scwrl_1358409440.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1358409440.pdb or /var/tmp/from_scwrl_1358409440.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1358409440_b.pdb or decoys//var/tmp/from_scwrl_1358409440_b.pdb.gz for input Trying /var/tmp/from_scwrl_1358409440_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1358409440_b.pdb or /var/tmp/from_scwrl_1358409440_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1358409440_a.pdb or decoys//var/tmp/from_scwrl_1358409440_a.pdb.gz for input Trying /var/tmp/from_scwrl_1358409440_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1358409440_a.pdb or /var/tmp/from_scwrl_1358409440_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1358409440.pdb or /var/tmp/from_scwrl_1358409440_b.pdb or /var/tmp/from_scwrl_1358409440_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 149 # copying to AlignedFragments data structure # naming current conformation SP4_TS2 # request to SCWRL produces command: ulimit -t 210 ; scwrl3 -i /var/tmp/to_scwrl_1692530721.pdb -s /var/tmp/to_scwrl_1692530721.seq -o /var/tmp/from_scwrl_1692530721.pdb > /var/tmp/scwrl_1692530721.log sh: /var/tmp/scwrl_1692530721.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1692530721.pdb or /var/tmp/from_scwrl_1692530721.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1692530721_b.pdb or decoys//var/tmp/from_scwrl_1692530721_b.pdb.gz for input Trying /var/tmp/from_scwrl_1692530721_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1692530721_b.pdb or /var/tmp/from_scwrl_1692530721_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1692530721_a.pdb or decoys//var/tmp/from_scwrl_1692530721_a.pdb.gz for input Trying /var/tmp/from_scwrl_1692530721_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1692530721_a.pdb or /var/tmp/from_scwrl_1692530721_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1692530721.pdb or /var/tmp/from_scwrl_1692530721_b.pdb or /var/tmp/from_scwrl_1692530721_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 164 # copying to AlignedFragments data structure # naming current conformation SP4_TS3 # request to SCWRL produces command: ulimit -t 210 ; scwrl3 -i /var/tmp/to_scwrl_389511047.pdb -s /var/tmp/to_scwrl_389511047.seq -o /var/tmp/from_scwrl_389511047.pdb > /var/tmp/scwrl_389511047.log sh: /var/tmp/scwrl_389511047.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_389511047.pdb or /var/tmp/from_scwrl_389511047.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_389511047_b.pdb or decoys//var/tmp/from_scwrl_389511047_b.pdb.gz for input Trying /var/tmp/from_scwrl_389511047_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_389511047_b.pdb or /var/tmp/from_scwrl_389511047_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_389511047_a.pdb or decoys//var/tmp/from_scwrl_389511047_a.pdb.gz for input Trying /var/tmp/from_scwrl_389511047_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_389511047_a.pdb or /var/tmp/from_scwrl_389511047_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_389511047.pdb or /var/tmp/from_scwrl_389511047_b.pdb or /var/tmp/from_scwrl_389511047_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 # Found a chain break before 149 # copying to AlignedFragments data structure # naming current conformation SP4_TS4 # request to SCWRL produces command: ulimit -t 210 ; scwrl3 -i /var/tmp/to_scwrl_1847435694.pdb -s /var/tmp/to_scwrl_1847435694.seq -o /var/tmp/from_scwrl_1847435694.pdb > /var/tmp/scwrl_1847435694.log sh: /var/tmp/scwrl_1847435694.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1847435694.pdb or /var/tmp/from_scwrl_1847435694.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1847435694_b.pdb or decoys//var/tmp/from_scwrl_1847435694_b.pdb.gz for input Trying /var/tmp/from_scwrl_1847435694_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1847435694_b.pdb or /var/tmp/from_scwrl_1847435694_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1847435694_a.pdb or decoys//var/tmp/from_scwrl_1847435694_a.pdb.gz for input Trying /var/tmp/from_scwrl_1847435694_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1847435694_a.pdb or /var/tmp/from_scwrl_1847435694_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1847435694.pdb or /var/tmp/from_scwrl_1847435694_b.pdb or /var/tmp/from_scwrl_1847435694_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 # naming current conformation SP4_TS5 # request to SCWRL produces command: ulimit -t 210 ; scwrl3 -i /var/tmp/to_scwrl_1956327382.pdb -s /var/tmp/to_scwrl_1956327382.seq -o /var/tmp/from_scwrl_1956327382.pdb > /var/tmp/scwrl_1956327382.log sh: /var/tmp/scwrl_1956327382.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1956327382.pdb or /var/tmp/from_scwrl_1956327382.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1956327382_b.pdb or decoys//var/tmp/from_scwrl_1956327382_b.pdb.gz for input Trying /var/tmp/from_scwrl_1956327382_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1956327382_b.pdb or /var/tmp/from_scwrl_1956327382_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1956327382_a.pdb or decoys//var/tmp/from_scwrl_1956327382_a.pdb.gz for input Trying /var/tmp/from_scwrl_1956327382_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1956327382_a.pdb or /var/tmp/from_scwrl_1956327382_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1956327382.pdb or /var/tmp/from_scwrl_1956327382_b.pdb or /var/tmp/from_scwrl_1956327382_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 # naming current conformation SPARKS2_TS1 # request to SCWRL produces command: ulimit -t 210 ; scwrl3 -i /var/tmp/to_scwrl_401419254.pdb -s /var/tmp/to_scwrl_401419254.seq -o /var/tmp/from_scwrl_401419254.pdb > /var/tmp/scwrl_401419254.log sh: /var/tmp/scwrl_401419254.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_401419254.pdb or /var/tmp/from_scwrl_401419254.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_401419254_b.pdb or decoys//var/tmp/from_scwrl_401419254_b.pdb.gz for input Trying /var/tmp/from_scwrl_401419254_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_401419254_b.pdb or /var/tmp/from_scwrl_401419254_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_401419254_a.pdb or decoys//var/tmp/from_scwrl_401419254_a.pdb.gz for input Trying /var/tmp/from_scwrl_401419254_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_401419254_a.pdb or /var/tmp/from_scwrl_401419254_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_401419254.pdb or /var/tmp/from_scwrl_401419254_b.pdb or /var/tmp/from_scwrl_401419254_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 149 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS2 # request to SCWRL produces command: ulimit -t 210 ; scwrl3 -i /var/tmp/to_scwrl_1910358296.pdb -s /var/tmp/to_scwrl_1910358296.seq -o /var/tmp/from_scwrl_1910358296.pdb > /var/tmp/scwrl_1910358296.log sh: /var/tmp/scwrl_1910358296.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1910358296.pdb or /var/tmp/from_scwrl_1910358296.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1910358296_b.pdb or decoys//var/tmp/from_scwrl_1910358296_b.pdb.gz for input Trying /var/tmp/from_scwrl_1910358296_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1910358296_b.pdb or /var/tmp/from_scwrl_1910358296_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1910358296_a.pdb or decoys//var/tmp/from_scwrl_1910358296_a.pdb.gz for input Trying /var/tmp/from_scwrl_1910358296_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1910358296_a.pdb or /var/tmp/from_scwrl_1910358296_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1910358296.pdb or /var/tmp/from_scwrl_1910358296_b.pdb or /var/tmp/from_scwrl_1910358296_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 149 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS3 # request to SCWRL produces command: ulimit -t 210 ; scwrl3 -i /var/tmp/to_scwrl_1252970633.pdb -s /var/tmp/to_scwrl_1252970633.seq -o /var/tmp/from_scwrl_1252970633.pdb > /var/tmp/scwrl_1252970633.log sh: /var/tmp/scwrl_1252970633.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1252970633.pdb or /var/tmp/from_scwrl_1252970633.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1252970633_b.pdb or decoys//var/tmp/from_scwrl_1252970633_b.pdb.gz for input Trying /var/tmp/from_scwrl_1252970633_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1252970633_b.pdb or /var/tmp/from_scwrl_1252970633_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1252970633_a.pdb or decoys//var/tmp/from_scwrl_1252970633_a.pdb.gz for input Trying /var/tmp/from_scwrl_1252970633_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1252970633_a.pdb or /var/tmp/from_scwrl_1252970633_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1252970633.pdb or /var/tmp/from_scwrl_1252970633_b.pdb or /var/tmp/from_scwrl_1252970633_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 229 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS4 # request to SCWRL produces command: ulimit -t 210 ; scwrl3 -i /var/tmp/to_scwrl_2059540600.pdb -s /var/tmp/to_scwrl_2059540600.seq -o /var/tmp/from_scwrl_2059540600.pdb > /var/tmp/scwrl_2059540600.log sh: /var/tmp/scwrl_2059540600.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_2059540600.pdb or /var/tmp/from_scwrl_2059540600.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2059540600_b.pdb or decoys//var/tmp/from_scwrl_2059540600_b.pdb.gz for input Trying /var/tmp/from_scwrl_2059540600_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_2059540600_b.pdb or /var/tmp/from_scwrl_2059540600_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2059540600_a.pdb or decoys//var/tmp/from_scwrl_2059540600_a.pdb.gz for input Trying /var/tmp/from_scwrl_2059540600_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_2059540600_a.pdb or /var/tmp/from_scwrl_2059540600_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_2059540600.pdb or /var/tmp/from_scwrl_2059540600_b.pdb or /var/tmp/from_scwrl_2059540600_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 217 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS5 # request to SCWRL produces command: ulimit -t 210 ; scwrl3 -i /var/tmp/to_scwrl_1009490576.pdb -s /var/tmp/to_scwrl_1009490576.seq -o /var/tmp/from_scwrl_1009490576.pdb > /var/tmp/scwrl_1009490576.log sh: /var/tmp/scwrl_1009490576.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1009490576.pdb or /var/tmp/from_scwrl_1009490576.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1009490576_b.pdb or decoys//var/tmp/from_scwrl_1009490576_b.pdb.gz for input Trying /var/tmp/from_scwrl_1009490576_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1009490576_b.pdb or /var/tmp/from_scwrl_1009490576_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1009490576_a.pdb or decoys//var/tmp/from_scwrl_1009490576_a.pdb.gz for input Trying /var/tmp/from_scwrl_1009490576_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1009490576_a.pdb or /var/tmp/from_scwrl_1009490576_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1009490576.pdb or /var/tmp/from_scwrl_1009490576_b.pdb or /var/tmp/from_scwrl_1009490576_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 T0330 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS1 # request to SCWRL produces command: ulimit -t 210 ; scwrl3 -i /var/tmp/to_scwrl_1276547897.pdb -s /var/tmp/to_scwrl_1276547897.seq -o /var/tmp/from_scwrl_1276547897.pdb > /var/tmp/scwrl_1276547897.log sh: /var/tmp/scwrl_1276547897.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1276547897.pdb or /var/tmp/from_scwrl_1276547897.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1276547897_b.pdb or decoys//var/tmp/from_scwrl_1276547897_b.pdb.gz for input Trying /var/tmp/from_scwrl_1276547897_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1276547897_b.pdb or /var/tmp/from_scwrl_1276547897_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1276547897_a.pdb or decoys//var/tmp/from_scwrl_1276547897_a.pdb.gz for input Trying /var/tmp/from_scwrl_1276547897_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1276547897_a.pdb or /var/tmp/from_scwrl_1276547897_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1276547897.pdb or /var/tmp/from_scwrl_1276547897_b.pdb or /var/tmp/from_scwrl_1276547897_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 T0330 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS2 # request to SCWRL produces command: ulimit -t 210 ; scwrl3 -i /var/tmp/to_scwrl_582877730.pdb -s /var/tmp/to_scwrl_582877730.seq -o /var/tmp/from_scwrl_582877730.pdb > /var/tmp/scwrl_582877730.log sh: /var/tmp/scwrl_582877730.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_582877730.pdb or /var/tmp/from_scwrl_582877730.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_582877730_b.pdb or decoys//var/tmp/from_scwrl_582877730_b.pdb.gz for input Trying /var/tmp/from_scwrl_582877730_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_582877730_b.pdb or /var/tmp/from_scwrl_582877730_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_582877730_a.pdb or decoys//var/tmp/from_scwrl_582877730_a.pdb.gz for input Trying /var/tmp/from_scwrl_582877730_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_582877730_a.pdb or /var/tmp/from_scwrl_582877730_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_582877730.pdb or /var/tmp/from_scwrl_582877730_b.pdb or /var/tmp/from_scwrl_582877730_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 T0330 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS3 # request to SCWRL produces command: ulimit -t 210 ; scwrl3 -i /var/tmp/to_scwrl_1470424506.pdb -s /var/tmp/to_scwrl_1470424506.seq -o /var/tmp/from_scwrl_1470424506.pdb > /var/tmp/scwrl_1470424506.log sh: /var/tmp/scwrl_1470424506.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1470424506.pdb or /var/tmp/from_scwrl_1470424506.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1470424506_b.pdb or decoys//var/tmp/from_scwrl_1470424506_b.pdb.gz for input Trying /var/tmp/from_scwrl_1470424506_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1470424506_b.pdb or /var/tmp/from_scwrl_1470424506_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1470424506_a.pdb or decoys//var/tmp/from_scwrl_1470424506_a.pdb.gz for input Trying /var/tmp/from_scwrl_1470424506_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1470424506_a.pdb or /var/tmp/from_scwrl_1470424506_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1470424506.pdb or /var/tmp/from_scwrl_1470424506_b.pdb or /var/tmp/from_scwrl_1470424506_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 T0330 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS4 # request to SCWRL produces command: ulimit -t 210 ; scwrl3 -i /var/tmp/to_scwrl_1997681189.pdb -s /var/tmp/to_scwrl_1997681189.seq -o /var/tmp/from_scwrl_1997681189.pdb > /var/tmp/scwrl_1997681189.log sh: /var/tmp/scwrl_1997681189.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1997681189.pdb or /var/tmp/from_scwrl_1997681189.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1997681189_b.pdb or decoys//var/tmp/from_scwrl_1997681189_b.pdb.gz for input Trying /var/tmp/from_scwrl_1997681189_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1997681189_b.pdb or /var/tmp/from_scwrl_1997681189_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1997681189_a.pdb or decoys//var/tmp/from_scwrl_1997681189_a.pdb.gz for input Trying /var/tmp/from_scwrl_1997681189_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1997681189_a.pdb or /var/tmp/from_scwrl_1997681189_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1997681189.pdb or /var/tmp/from_scwrl_1997681189_b.pdb or /var/tmp/from_scwrl_1997681189_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 T0330 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS5 # request to SCWRL produces command: ulimit -t 210 ; scwrl3 -i /var/tmp/to_scwrl_11593675.pdb -s /var/tmp/to_scwrl_11593675.seq -o /var/tmp/from_scwrl_11593675.pdb > /var/tmp/scwrl_11593675.log sh: /var/tmp/scwrl_11593675.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_11593675.pdb or /var/tmp/from_scwrl_11593675.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_11593675_b.pdb or decoys//var/tmp/from_scwrl_11593675_b.pdb.gz for input Trying /var/tmp/from_scwrl_11593675_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_11593675_b.pdb or /var/tmp/from_scwrl_11593675_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_11593675_a.pdb or decoys//var/tmp/from_scwrl_11593675_a.pdb.gz for input Trying /var/tmp/from_scwrl_11593675_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_11593675_a.pdb or /var/tmp/from_scwrl_11593675_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_11593675.pdb or /var/tmp/from_scwrl_11593675_b.pdb or /var/tmp/from_scwrl_11593675_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 T0330 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 210 ; scwrl3 -i /var/tmp/to_scwrl_1941809133.pdb -s /var/tmp/to_scwrl_1941809133.seq -o /var/tmp/from_scwrl_1941809133.pdb > /var/tmp/scwrl_1941809133.log sh: /var/tmp/scwrl_1941809133.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1941809133.pdb or /var/tmp/from_scwrl_1941809133.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1941809133_b.pdb or decoys//var/tmp/from_scwrl_1941809133_b.pdb.gz for input Trying /var/tmp/from_scwrl_1941809133_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1941809133_b.pdb or /var/tmp/from_scwrl_1941809133_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1941809133_a.pdb or decoys//var/tmp/from_scwrl_1941809133_a.pdb.gz for input Trying /var/tmp/from_scwrl_1941809133_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1941809133_a.pdb or /var/tmp/from_scwrl_1941809133_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1941809133.pdb or /var/tmp/from_scwrl_1941809133_b.pdb or /var/tmp/from_scwrl_1941809133_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 T0330 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL1 # request to SCWRL produces command: ulimit -t 210 ; scwrl3 -i /var/tmp/to_scwrl_181930336.pdb -s /var/tmp/to_scwrl_181930336.seq -o /var/tmp/from_scwrl_181930336.pdb > /var/tmp/scwrl_181930336.log sh: /var/tmp/scwrl_181930336.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_181930336.pdb or /var/tmp/from_scwrl_181930336.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_181930336_b.pdb or decoys//var/tmp/from_scwrl_181930336_b.pdb.gz for input Trying /var/tmp/from_scwrl_181930336_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_181930336_b.pdb or /var/tmp/from_scwrl_181930336_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_181930336_a.pdb or decoys//var/tmp/from_scwrl_181930336_a.pdb.gz for input Trying /var/tmp/from_scwrl_181930336_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_181930336_a.pdb or /var/tmp/from_scwrl_181930336_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_181930336.pdb or /var/tmp/from_scwrl_181930336_b.pdb or /var/tmp/from_scwrl_181930336_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 Skipped atom 34, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL2.pdb.gz Skipped atom 36, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL2.pdb.gz Skipped atom 38, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL2.pdb.gz Skipped atom 40, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL2.pdb.gz Skipped atom 98, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL2.pdb.gz Skipped atom 100, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL2.pdb.gz Skipped atom 102, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL2.pdb.gz Skipped atom 104, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL2.pdb.gz Skipped atom 202, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL2.pdb.gz Skipped atom 204, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL2.pdb.gz Skipped atom 206, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL2.pdb.gz Skipped atom 208, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL2.pdb.gz Skipped atom 258, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL2.pdb.gz Skipped atom 260, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL2.pdb.gz Skipped atom 262, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL2.pdb.gz Skipped atom 264, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL2.pdb.gz Skipped atom 502, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL2.pdb.gz Skipped atom 504, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL2.pdb.gz Skipped atom 506, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL2.pdb.gz Skipped atom 508, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL2.pdb.gz # WARNING: incomplete conformation T0330 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL2 # request to SCWRL produces command: ulimit -t 210 ; scwrl3 -i /var/tmp/to_scwrl_1630592938.pdb -s /var/tmp/to_scwrl_1630592938.seq -o /var/tmp/from_scwrl_1630592938.pdb > /var/tmp/scwrl_1630592938.log sh: /var/tmp/scwrl_1630592938.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1630592938.pdb or /var/tmp/from_scwrl_1630592938.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1630592938_b.pdb or decoys//var/tmp/from_scwrl_1630592938_b.pdb.gz for input Trying /var/tmp/from_scwrl_1630592938_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1630592938_b.pdb or /var/tmp/from_scwrl_1630592938_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1630592938_a.pdb or decoys//var/tmp/from_scwrl_1630592938_a.pdb.gz for input Trying /var/tmp/from_scwrl_1630592938_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1630592938_a.pdb or /var/tmp/from_scwrl_1630592938_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1630592938.pdb or /var/tmp/from_scwrl_1630592938_b.pdb or /var/tmp/from_scwrl_1630592938_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 # WARNING: incomplete conformation T0330 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL3 # request to SCWRL produces command: ulimit -t 210 ; scwrl3 -i /var/tmp/to_scwrl_310669679.pdb -s /var/tmp/to_scwrl_310669679.seq -o /var/tmp/from_scwrl_310669679.pdb > /var/tmp/scwrl_310669679.log sh: /var/tmp/scwrl_310669679.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_310669679.pdb or /var/tmp/from_scwrl_310669679.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_310669679_b.pdb or decoys//var/tmp/from_scwrl_310669679_b.pdb.gz for input Trying /var/tmp/from_scwrl_310669679_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_310669679_b.pdb or /var/tmp/from_scwrl_310669679_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_310669679_a.pdb or decoys//var/tmp/from_scwrl_310669679_a.pdb.gz for input Trying /var/tmp/from_scwrl_310669679_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_310669679_a.pdb or /var/tmp/from_scwrl_310669679_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_310669679.pdb or /var/tmp/from_scwrl_310669679_b.pdb or /var/tmp/from_scwrl_310669679_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 Skipped atom 306, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL4.pdb.gz Skipped atom 308, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL4.pdb.gz Skipped atom 310, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL4.pdb.gz Skipped atom 312, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL4.pdb.gz Skipped atom 358, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL4.pdb.gz Skipped atom 360, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL4.pdb.gz Skipped atom 362, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL4.pdb.gz Skipped atom 364, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL4.pdb.gz Skipped atom 378, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL4.pdb.gz Skipped atom 380, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL4.pdb.gz Skipped atom 382, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL4.pdb.gz Skipped atom 384, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL4.pdb.gz Skipped atom 386, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL4.pdb.gz Skipped atom 388, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL4.pdb.gz Skipped atom 390, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL4.pdb.gz Skipped atom 392, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL4.pdb.gz Skipped atom 666, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL4.pdb.gz Skipped atom 668, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL4.pdb.gz Skipped atom 670, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL4.pdb.gz Skipped atom 672, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL4.pdb.gz # WARNING: incomplete conformation T0330 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL4 # request to SCWRL produces command: ulimit -t 210 ; scwrl3 -i /var/tmp/to_scwrl_513623018.pdb -s /var/tmp/to_scwrl_513623018.seq -o /var/tmp/from_scwrl_513623018.pdb > /var/tmp/scwrl_513623018.log sh: /var/tmp/scwrl_513623018.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_513623018.pdb or /var/tmp/from_scwrl_513623018.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_513623018_b.pdb or decoys//var/tmp/from_scwrl_513623018_b.pdb.gz for input Trying /var/tmp/from_scwrl_513623018_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_513623018_b.pdb or /var/tmp/from_scwrl_513623018_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_513623018_a.pdb or decoys//var/tmp/from_scwrl_513623018_a.pdb.gz for input Trying /var/tmp/from_scwrl_513623018_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_513623018_a.pdb or /var/tmp/from_scwrl_513623018_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_513623018.pdb or /var/tmp/from_scwrl_513623018_b.pdb or /var/tmp/from_scwrl_513623018_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 # WARNING: incomplete conformation T0330 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL5 # request to SCWRL produces command: ulimit -t 210 ; scwrl3 -i /var/tmp/to_scwrl_1231371561.pdb -s /var/tmp/to_scwrl_1231371561.seq -o /var/tmp/from_scwrl_1231371561.pdb > /var/tmp/scwrl_1231371561.log sh: /var/tmp/scwrl_1231371561.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1231371561.pdb or /var/tmp/from_scwrl_1231371561.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1231371561_b.pdb or decoys//var/tmp/from_scwrl_1231371561_b.pdb.gz for input Trying /var/tmp/from_scwrl_1231371561_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1231371561_b.pdb or /var/tmp/from_scwrl_1231371561_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1231371561_a.pdb or decoys//var/tmp/from_scwrl_1231371561_a.pdb.gz for input Trying /var/tmp/from_scwrl_1231371561_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1231371561_a.pdb or /var/tmp/from_scwrl_1231371561_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1231371561.pdb or /var/tmp/from_scwrl_1231371561_b.pdb or /var/tmp/from_scwrl_1231371561_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 208 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS1 # request to SCWRL produces command: ulimit -t 210 ; scwrl3 -i /var/tmp/to_scwrl_552076898.pdb -s /var/tmp/to_scwrl_552076898.seq -o /var/tmp/from_scwrl_552076898.pdb > /var/tmp/scwrl_552076898.log sh: /var/tmp/scwrl_552076898.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_552076898.pdb or /var/tmp/from_scwrl_552076898.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_552076898_b.pdb or decoys//var/tmp/from_scwrl_552076898_b.pdb.gz for input Trying /var/tmp/from_scwrl_552076898_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_552076898_b.pdb or /var/tmp/from_scwrl_552076898_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_552076898_a.pdb or decoys//var/tmp/from_scwrl_552076898_a.pdb.gz for input Trying /var/tmp/from_scwrl_552076898_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_552076898_a.pdb or /var/tmp/from_scwrl_552076898_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_552076898.pdb or /var/tmp/from_scwrl_552076898_b.pdb or /var/tmp/from_scwrl_552076898_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 165 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS2 # request to SCWRL produces command: ulimit -t 210 ; scwrl3 -i /var/tmp/to_scwrl_1981113625.pdb -s /var/tmp/to_scwrl_1981113625.seq -o /var/tmp/from_scwrl_1981113625.pdb > /var/tmp/scwrl_1981113625.log sh: /var/tmp/scwrl_1981113625.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1981113625.pdb or /var/tmp/from_scwrl_1981113625.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1981113625_b.pdb or decoys//var/tmp/from_scwrl_1981113625_b.pdb.gz for input Trying /var/tmp/from_scwrl_1981113625_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1981113625_b.pdb or /var/tmp/from_scwrl_1981113625_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1981113625_a.pdb or decoys//var/tmp/from_scwrl_1981113625_a.pdb.gz for input Trying /var/tmp/from_scwrl_1981113625_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1981113625_a.pdb or /var/tmp/from_scwrl_1981113625_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1981113625.pdb or /var/tmp/from_scwrl_1981113625_b.pdb or /var/tmp/from_scwrl_1981113625_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 166 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS3 # request to SCWRL produces command: ulimit -t 210 ; scwrl3 -i /var/tmp/to_scwrl_1816537644.pdb -s /var/tmp/to_scwrl_1816537644.seq -o /var/tmp/from_scwrl_1816537644.pdb > /var/tmp/scwrl_1816537644.log sh: /var/tmp/scwrl_1816537644.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1816537644.pdb or /var/tmp/from_scwrl_1816537644.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1816537644_b.pdb or decoys//var/tmp/from_scwrl_1816537644_b.pdb.gz for input Trying /var/tmp/from_scwrl_1816537644_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1816537644_b.pdb or /var/tmp/from_scwrl_1816537644_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1816537644_a.pdb or decoys//var/tmp/from_scwrl_1816537644_a.pdb.gz for input Trying /var/tmp/from_scwrl_1816537644_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1816537644_a.pdb or /var/tmp/from_scwrl_1816537644_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1816537644.pdb or /var/tmp/from_scwrl_1816537644_b.pdb or /var/tmp/from_scwrl_1816537644_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 165 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS4 # request to SCWRL produces command: ulimit -t 210 ; scwrl3 -i /var/tmp/to_scwrl_2004278041.pdb -s /var/tmp/to_scwrl_2004278041.seq -o /var/tmp/from_scwrl_2004278041.pdb > /var/tmp/scwrl_2004278041.log sh: /var/tmp/scwrl_2004278041.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_2004278041.pdb or /var/tmp/from_scwrl_2004278041.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2004278041_b.pdb or decoys//var/tmp/from_scwrl_2004278041_b.pdb.gz for input Trying /var/tmp/from_scwrl_2004278041_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_2004278041_b.pdb or /var/tmp/from_scwrl_2004278041_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2004278041_a.pdb or decoys//var/tmp/from_scwrl_2004278041_a.pdb.gz for input Trying /var/tmp/from_scwrl_2004278041_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_2004278041_a.pdb or /var/tmp/from_scwrl_2004278041_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_2004278041.pdb or /var/tmp/from_scwrl_2004278041_b.pdb or /var/tmp/from_scwrl_2004278041_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 125 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS5 # request to SCWRL produces command: ulimit -t 210 ; scwrl3 -i /var/tmp/to_scwrl_914871893.pdb -s /var/tmp/to_scwrl_914871893.seq -o /var/tmp/from_scwrl_914871893.pdb > /var/tmp/scwrl_914871893.log sh: /var/tmp/scwrl_914871893.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_914871893.pdb or /var/tmp/from_scwrl_914871893.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_914871893_b.pdb or decoys//var/tmp/from_scwrl_914871893_b.pdb.gz for input Trying /var/tmp/from_scwrl_914871893_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_914871893_b.pdb or /var/tmp/from_scwrl_914871893_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_914871893_a.pdb or decoys//var/tmp/from_scwrl_914871893_a.pdb.gz for input Trying /var/tmp/from_scwrl_914871893_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_914871893_a.pdb or /var/tmp/from_scwrl_914871893_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_914871893.pdb or /var/tmp/from_scwrl_914871893_b.pdb or /var/tmp/from_scwrl_914871893_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 230 # copying to AlignedFragments data structure # naming current conformation beautshot_TS1 # request to SCWRL produces command: ulimit -t 210 ; scwrl3 -i /var/tmp/to_scwrl_1265646058.pdb -s /var/tmp/to_scwrl_1265646058.seq -o /var/tmp/from_scwrl_1265646058.pdb > /var/tmp/scwrl_1265646058.log sh: /var/tmp/scwrl_1265646058.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1265646058.pdb or /var/tmp/from_scwrl_1265646058.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1265646058_b.pdb or decoys//var/tmp/from_scwrl_1265646058_b.pdb.gz for input Trying /var/tmp/from_scwrl_1265646058_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1265646058_b.pdb or /var/tmp/from_scwrl_1265646058_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1265646058_a.pdb or decoys//var/tmp/from_scwrl_1265646058_a.pdb.gz for input Trying /var/tmp/from_scwrl_1265646058_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1265646058_a.pdb or /var/tmp/from_scwrl_1265646058_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1265646058.pdb or /var/tmp/from_scwrl_1265646058_b.pdb or /var/tmp/from_scwrl_1265646058_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 T0330 can't currently be optimized by undertaker # naming current conformation beautshotbase_TS1 # request to SCWRL produces command: ulimit -t 210 ; scwrl3 -i /var/tmp/to_scwrl_277664698.pdb -s /var/tmp/to_scwrl_277664698.seq -o /var/tmp/from_scwrl_277664698.pdb > /var/tmp/scwrl_277664698.log sh: /var/tmp/scwrl_277664698.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_277664698.pdb or /var/tmp/from_scwrl_277664698.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_277664698_b.pdb or decoys//var/tmp/from_scwrl_277664698_b.pdb.gz for input Trying /var/tmp/from_scwrl_277664698_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_277664698_b.pdb or /var/tmp/from_scwrl_277664698_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_277664698_a.pdb or decoys//var/tmp/from_scwrl_277664698_a.pdb.gz for input Trying /var/tmp/from_scwrl_277664698_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_277664698_a.pdb or /var/tmp/from_scwrl_277664698_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_277664698.pdb or /var/tmp/from_scwrl_277664698_b.pdb or /var/tmp/from_scwrl_277664698_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 T0330 can't currently be optimized by undertaker # naming current conformation forecast-s_AL1 # request to SCWRL produces command: ulimit -t 210 ; scwrl3 -i /var/tmp/to_scwrl_1574543282.pdb -s /var/tmp/to_scwrl_1574543282.seq -o /var/tmp/from_scwrl_1574543282.pdb > /var/tmp/scwrl_1574543282.log sh: /var/tmp/scwrl_1574543282.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1574543282.pdb or /var/tmp/from_scwrl_1574543282.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1574543282_b.pdb or decoys//var/tmp/from_scwrl_1574543282_b.pdb.gz for input Trying /var/tmp/from_scwrl_1574543282_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1574543282_b.pdb or /var/tmp/from_scwrl_1574543282_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1574543282_a.pdb or decoys//var/tmp/from_scwrl_1574543282_a.pdb.gz for input Trying /var/tmp/from_scwrl_1574543282_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1574543282_a.pdb or /var/tmp/from_scwrl_1574543282_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1574543282.pdb or /var/tmp/from_scwrl_1574543282_b.pdb or /var/tmp/from_scwrl_1574543282_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 T0330 can't currently be optimized by undertaker # naming current conformation forecast-s_AL2 # request to SCWRL produces command: ulimit -t 210 ; scwrl3 -i /var/tmp/to_scwrl_1313417923.pdb -s /var/tmp/to_scwrl_1313417923.seq -o /var/tmp/from_scwrl_1313417923.pdb > /var/tmp/scwrl_1313417923.log sh: /var/tmp/scwrl_1313417923.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1313417923.pdb or /var/tmp/from_scwrl_1313417923.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1313417923_b.pdb or decoys//var/tmp/from_scwrl_1313417923_b.pdb.gz for input Trying /var/tmp/from_scwrl_1313417923_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1313417923_b.pdb or /var/tmp/from_scwrl_1313417923_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1313417923_a.pdb or decoys//var/tmp/from_scwrl_1313417923_a.pdb.gz for input Trying /var/tmp/from_scwrl_1313417923_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1313417923_a.pdb or /var/tmp/from_scwrl_1313417923_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1313417923.pdb or /var/tmp/from_scwrl_1313417923_b.pdb or /var/tmp/from_scwrl_1313417923_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 T0330 can't currently be optimized by undertaker # naming current conformation forecast-s_AL3 # request to SCWRL produces command: ulimit -t 210 ; scwrl3 -i /var/tmp/to_scwrl_281249590.pdb -s /var/tmp/to_scwrl_281249590.seq -o /var/tmp/from_scwrl_281249590.pdb > /var/tmp/scwrl_281249590.log sh: /var/tmp/scwrl_281249590.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_281249590.pdb or /var/tmp/from_scwrl_281249590.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_281249590_b.pdb or decoys//var/tmp/from_scwrl_281249590_b.pdb.gz for input Trying /var/tmp/from_scwrl_281249590_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_281249590_b.pdb or /var/tmp/from_scwrl_281249590_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_281249590_a.pdb or decoys//var/tmp/from_scwrl_281249590_a.pdb.gz for input Trying /var/tmp/from_scwrl_281249590_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_281249590_a.pdb or /var/tmp/from_scwrl_281249590_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_281249590.pdb or /var/tmp/from_scwrl_281249590_b.pdb or /var/tmp/from_scwrl_281249590_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 T0330 can't currently be optimized by undertaker # naming current conformation forecast-s_AL4 # request to SCWRL produces command: ulimit -t 210 ; scwrl3 -i /var/tmp/to_scwrl_785469077.pdb -s /var/tmp/to_scwrl_785469077.seq -o /var/tmp/from_scwrl_785469077.pdb > /var/tmp/scwrl_785469077.log sh: /var/tmp/scwrl_785469077.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_785469077.pdb or /var/tmp/from_scwrl_785469077.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_785469077_b.pdb or decoys//var/tmp/from_scwrl_785469077_b.pdb.gz for input Trying /var/tmp/from_scwrl_785469077_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_785469077_b.pdb or /var/tmp/from_scwrl_785469077_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_785469077_a.pdb or decoys//var/tmp/from_scwrl_785469077_a.pdb.gz for input Trying /var/tmp/from_scwrl_785469077_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_785469077_a.pdb or /var/tmp/from_scwrl_785469077_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_785469077.pdb or /var/tmp/from_scwrl_785469077_b.pdb or /var/tmp/from_scwrl_785469077_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 T0330 can't currently be optimized by undertaker # naming current conformation forecast-s_AL5 # request to SCWRL produces command: ulimit -t 210 ; scwrl3 -i /var/tmp/to_scwrl_858464998.pdb -s /var/tmp/to_scwrl_858464998.seq -o /var/tmp/from_scwrl_858464998.pdb > /var/tmp/scwrl_858464998.log sh: /var/tmp/scwrl_858464998.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_858464998.pdb or /var/tmp/from_scwrl_858464998.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_858464998_b.pdb or decoys//var/tmp/from_scwrl_858464998_b.pdb.gz for input Trying /var/tmp/from_scwrl_858464998_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_858464998_b.pdb or /var/tmp/from_scwrl_858464998_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_858464998_a.pdb or decoys//var/tmp/from_scwrl_858464998_a.pdb.gz for input Trying /var/tmp/from_scwrl_858464998_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_858464998_a.pdb or /var/tmp/from_scwrl_858464998_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_858464998.pdb or /var/tmp/from_scwrl_858464998_b.pdb or /var/tmp/from_scwrl_858464998_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 T0330 can't currently be optimized by undertaker # naming current conformation gtg_AL1 # request to SCWRL produces command: ulimit -t 210 ; scwrl3 -i /var/tmp/to_scwrl_670760637.pdb -s /var/tmp/to_scwrl_670760637.seq -o /var/tmp/from_scwrl_670760637.pdb > /var/tmp/scwrl_670760637.log sh: /var/tmp/scwrl_670760637.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_670760637.pdb or /var/tmp/from_scwrl_670760637.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_670760637_b.pdb or decoys//var/tmp/from_scwrl_670760637_b.pdb.gz for input Trying /var/tmp/from_scwrl_670760637_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_670760637_b.pdb or /var/tmp/from_scwrl_670760637_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_670760637_a.pdb or decoys//var/tmp/from_scwrl_670760637_a.pdb.gz for input Trying /var/tmp/from_scwrl_670760637_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_670760637_a.pdb or /var/tmp/from_scwrl_670760637_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_670760637.pdb or /var/tmp/from_scwrl_670760637_b.pdb or /var/tmp/from_scwrl_670760637_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 # WARNING: incomplete conformation T0330 can't currently be optimized by undertaker # naming current conformation gtg_AL2 # request to SCWRL produces command: ulimit -t 210 ; scwrl3 -i /var/tmp/to_scwrl_485421124.pdb -s /var/tmp/to_scwrl_485421124.seq -o /var/tmp/from_scwrl_485421124.pdb > /var/tmp/scwrl_485421124.log sh: /var/tmp/scwrl_485421124.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_485421124.pdb or /var/tmp/from_scwrl_485421124.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_485421124_b.pdb or decoys//var/tmp/from_scwrl_485421124_b.pdb.gz for input Trying /var/tmp/from_scwrl_485421124_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_485421124_b.pdb or /var/tmp/from_scwrl_485421124_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_485421124_a.pdb or decoys//var/tmp/from_scwrl_485421124_a.pdb.gz for input Trying /var/tmp/from_scwrl_485421124_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_485421124_a.pdb or /var/tmp/from_scwrl_485421124_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_485421124.pdb or /var/tmp/from_scwrl_485421124_b.pdb or /var/tmp/from_scwrl_485421124_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 T0330 can't currently be optimized by undertaker # naming current conformation gtg_AL3 # request to SCWRL produces command: ulimit -t 210 ; scwrl3 -i /var/tmp/to_scwrl_667308734.pdb -s /var/tmp/to_scwrl_667308734.seq -o /var/tmp/from_scwrl_667308734.pdb > /var/tmp/scwrl_667308734.log sh: /var/tmp/scwrl_667308734.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_667308734.pdb or /var/tmp/from_scwrl_667308734.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_667308734_b.pdb or decoys//var/tmp/from_scwrl_667308734_b.pdb.gz for input Trying /var/tmp/from_scwrl_667308734_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_667308734_b.pdb or /var/tmp/from_scwrl_667308734_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_667308734_a.pdb or decoys//var/tmp/from_scwrl_667308734_a.pdb.gz for input Trying /var/tmp/from_scwrl_667308734_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_667308734_a.pdb or /var/tmp/from_scwrl_667308734_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_667308734.pdb or /var/tmp/from_scwrl_667308734_b.pdb or /var/tmp/from_scwrl_667308734_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 Skipped atom 38, because occupancy 1.000 <= existing 1.000 in servers/gtg_AL4.pdb.gz Skipped atom 40, because occupancy 1.000 <= existing 1.000 in servers/gtg_AL4.pdb.gz Skipped atom 42, because occupancy 1.000 <= existing 1.000 in servers/gtg_AL4.pdb.gz Skipped atom 44, because occupancy 1.000 <= existing 1.000 in servers/gtg_AL4.pdb.gz Skipped atom 102, because occupancy 1.000 <= existing 1.000 in servers/gtg_AL4.pdb.gz Skipped atom 104, because occupancy 1.000 <= existing 1.000 in servers/gtg_AL4.pdb.gz Skipped atom 106, because occupancy 1.000 <= existing 1.000 in servers/gtg_AL4.pdb.gz Skipped atom 108, because occupancy 1.000 <= existing 1.000 in servers/gtg_AL4.pdb.gz Skipped atom 210, because occupancy 1.000 <= existing 1.000 in servers/gtg_AL4.pdb.gz Skipped atom 212, because occupancy 1.000 <= existing 1.000 in servers/gtg_AL4.pdb.gz Skipped atom 214, because occupancy 1.000 <= existing 1.000 in servers/gtg_AL4.pdb.gz Skipped atom 216, because occupancy 1.000 <= existing 1.000 in servers/gtg_AL4.pdb.gz Skipped atom 498, because occupancy 1.000 <= existing 1.000 in servers/gtg_AL4.pdb.gz Skipped atom 500, because occupancy 1.000 <= existing 1.000 in servers/gtg_AL4.pdb.gz Skipped atom 502, because occupancy 1.000 <= existing 1.000 in servers/gtg_AL4.pdb.gz Skipped atom 504, because occupancy 1.000 <= existing 1.000 in servers/gtg_AL4.pdb.gz # WARNING: incomplete conformation T0330 can't currently be optimized by undertaker # naming current conformation gtg_AL4 # request to SCWRL produces command: ulimit -t 210 ; scwrl3 -i /var/tmp/to_scwrl_1072179891.pdb -s /var/tmp/to_scwrl_1072179891.seq -o /var/tmp/from_scwrl_1072179891.pdb > /var/tmp/scwrl_1072179891.log sh: /var/tmp/scwrl_1072179891.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1072179891.pdb or /var/tmp/from_scwrl_1072179891.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1072179891_b.pdb or decoys//var/tmp/from_scwrl_1072179891_b.pdb.gz for input Trying /var/tmp/from_scwrl_1072179891_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1072179891_b.pdb or /var/tmp/from_scwrl_1072179891_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1072179891_a.pdb or decoys//var/tmp/from_scwrl_1072179891_a.pdb.gz for input Trying /var/tmp/from_scwrl_1072179891_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1072179891_a.pdb or /var/tmp/from_scwrl_1072179891_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1072179891.pdb or /var/tmp/from_scwrl_1072179891_b.pdb or /var/tmp/from_scwrl_1072179891_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 T0330 can't currently be optimized by undertaker # naming current conformation gtg_AL5 # request to SCWRL produces command: ulimit -t 210 ; scwrl3 -i /var/tmp/to_scwrl_248295774.pdb -s /var/tmp/to_scwrl_248295774.seq -o /var/tmp/from_scwrl_248295774.pdb > /var/tmp/scwrl_248295774.log sh: /var/tmp/scwrl_248295774.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_248295774.pdb or /var/tmp/from_scwrl_248295774.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_248295774_b.pdb or decoys//var/tmp/from_scwrl_248295774_b.pdb.gz for input Trying /var/tmp/from_scwrl_248295774_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_248295774_b.pdb or /var/tmp/from_scwrl_248295774_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_248295774_a.pdb or decoys//var/tmp/from_scwrl_248295774_a.pdb.gz for input Trying /var/tmp/from_scwrl_248295774_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_248295774_a.pdb or /var/tmp/from_scwrl_248295774_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_248295774.pdb or /var/tmp/from_scwrl_248295774_b.pdb or /var/tmp/from_scwrl_248295774_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 149 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS1 # request to SCWRL produces command: ulimit -t 210 ; scwrl3 -i /var/tmp/to_scwrl_1920279367.pdb -s /var/tmp/to_scwrl_1920279367.seq -o /var/tmp/from_scwrl_1920279367.pdb > /var/tmp/scwrl_1920279367.log sh: /var/tmp/scwrl_1920279367.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1920279367.pdb or /var/tmp/from_scwrl_1920279367.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1920279367_b.pdb or decoys//var/tmp/from_scwrl_1920279367_b.pdb.gz for input Trying /var/tmp/from_scwrl_1920279367_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1920279367_b.pdb or /var/tmp/from_scwrl_1920279367_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1920279367_a.pdb or decoys//var/tmp/from_scwrl_1920279367_a.pdb.gz for input Trying /var/tmp/from_scwrl_1920279367_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1920279367_a.pdb or /var/tmp/from_scwrl_1920279367_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1920279367.pdb or /var/tmp/from_scwrl_1920279367_b.pdb or /var/tmp/from_scwrl_1920279367_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 149 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS2 # request to SCWRL produces command: ulimit -t 210 ; scwrl3 -i /var/tmp/to_scwrl_984236844.pdb -s /var/tmp/to_scwrl_984236844.seq -o /var/tmp/from_scwrl_984236844.pdb > /var/tmp/scwrl_984236844.log sh: /var/tmp/scwrl_984236844.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_984236844.pdb or /var/tmp/from_scwrl_984236844.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_984236844_b.pdb or decoys//var/tmp/from_scwrl_984236844_b.pdb.gz for input Trying /var/tmp/from_scwrl_984236844_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_984236844_b.pdb or /var/tmp/from_scwrl_984236844_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_984236844_a.pdb or decoys//var/tmp/from_scwrl_984236844_a.pdb.gz for input Trying /var/tmp/from_scwrl_984236844_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_984236844_a.pdb or /var/tmp/from_scwrl_984236844_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_984236844.pdb or /var/tmp/from_scwrl_984236844_b.pdb or /var/tmp/from_scwrl_984236844_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 200 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS3 # request to SCWRL produces command: ulimit -t 210 ; scwrl3 -i /var/tmp/to_scwrl_1257786349.pdb -s /var/tmp/to_scwrl_1257786349.seq -o /var/tmp/from_scwrl_1257786349.pdb > /var/tmp/scwrl_1257786349.log sh: /var/tmp/scwrl_1257786349.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1257786349.pdb or /var/tmp/from_scwrl_1257786349.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1257786349_b.pdb or decoys//var/tmp/from_scwrl_1257786349_b.pdb.gz for input Trying /var/tmp/from_scwrl_1257786349_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1257786349_b.pdb or /var/tmp/from_scwrl_1257786349_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1257786349_a.pdb or decoys//var/tmp/from_scwrl_1257786349_a.pdb.gz for input Trying /var/tmp/from_scwrl_1257786349_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1257786349_a.pdb or /var/tmp/from_scwrl_1257786349_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1257786349.pdb or /var/tmp/from_scwrl_1257786349_b.pdb or /var/tmp/from_scwrl_1257786349_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 149 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS4 # request to SCWRL produces command: ulimit -t 210 ; scwrl3 -i /var/tmp/to_scwrl_1049343619.pdb -s /var/tmp/to_scwrl_1049343619.seq -o /var/tmp/from_scwrl_1049343619.pdb > /var/tmp/scwrl_1049343619.log sh: /var/tmp/scwrl_1049343619.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1049343619.pdb or /var/tmp/from_scwrl_1049343619.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1049343619_b.pdb or decoys//var/tmp/from_scwrl_1049343619_b.pdb.gz for input Trying /var/tmp/from_scwrl_1049343619_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1049343619_b.pdb or /var/tmp/from_scwrl_1049343619_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1049343619_a.pdb or decoys//var/tmp/from_scwrl_1049343619_a.pdb.gz for input Trying /var/tmp/from_scwrl_1049343619_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1049343619_a.pdb or /var/tmp/from_scwrl_1049343619_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1049343619.pdb or /var/tmp/from_scwrl_1049343619_b.pdb or /var/tmp/from_scwrl_1049343619_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 226 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS5 # request to SCWRL produces command: ulimit -t 210 ; scwrl3 -i /var/tmp/to_scwrl_1567114573.pdb -s /var/tmp/to_scwrl_1567114573.seq -o /var/tmp/from_scwrl_1567114573.pdb > /var/tmp/scwrl_1567114573.log sh: /var/tmp/scwrl_1567114573.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1567114573.pdb or /var/tmp/from_scwrl_1567114573.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1567114573_b.pdb or decoys//var/tmp/from_scwrl_1567114573_b.pdb.gz for input Trying /var/tmp/from_scwrl_1567114573_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1567114573_b.pdb or /var/tmp/from_scwrl_1567114573_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1567114573_a.pdb or decoys//var/tmp/from_scwrl_1567114573_a.pdb.gz for input Trying /var/tmp/from_scwrl_1567114573_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1567114573_a.pdb or /var/tmp/from_scwrl_1567114573_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1567114573.pdb or /var/tmp/from_scwrl_1567114573_b.pdb or /var/tmp/from_scwrl_1567114573_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 227 # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS1 # request to SCWRL produces command: ulimit -t 210 ; scwrl3 -i /var/tmp/to_scwrl_580727209.pdb -s /var/tmp/to_scwrl_580727209.seq -o /var/tmp/from_scwrl_580727209.pdb > /var/tmp/scwrl_580727209.log sh: /var/tmp/scwrl_580727209.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_580727209.pdb or /var/tmp/from_scwrl_580727209.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_580727209_b.pdb or decoys//var/tmp/from_scwrl_580727209_b.pdb.gz for input Trying /var/tmp/from_scwrl_580727209_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_580727209_b.pdb or /var/tmp/from_scwrl_580727209_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_580727209_a.pdb or decoys//var/tmp/from_scwrl_580727209_a.pdb.gz for input Trying /var/tmp/from_scwrl_580727209_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_580727209_a.pdb or /var/tmp/from_scwrl_580727209_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_580727209.pdb or /var/tmp/from_scwrl_580727209_b.pdb or /var/tmp/from_scwrl_580727209_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 230 # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS2 # request to SCWRL produces command: ulimit -t 210 ; scwrl3 -i /var/tmp/to_scwrl_899541161.pdb -s /var/tmp/to_scwrl_899541161.seq -o /var/tmp/from_scwrl_899541161.pdb > /var/tmp/scwrl_899541161.log sh: /var/tmp/scwrl_899541161.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_899541161.pdb or /var/tmp/from_scwrl_899541161.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_899541161_b.pdb or decoys//var/tmp/from_scwrl_899541161_b.pdb.gz for input Trying /var/tmp/from_scwrl_899541161_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_899541161_b.pdb or /var/tmp/from_scwrl_899541161_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_899541161_a.pdb or decoys//var/tmp/from_scwrl_899541161_a.pdb.gz for input Trying /var/tmp/from_scwrl_899541161_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_899541161_a.pdb or /var/tmp/from_scwrl_899541161_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_899541161.pdb or /var/tmp/from_scwrl_899541161_b.pdb or /var/tmp/from_scwrl_899541161_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 230 # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS3 # request to SCWRL produces command: ulimit -t 210 ; scwrl3 -i /var/tmp/to_scwrl_1578708249.pdb -s /var/tmp/to_scwrl_1578708249.seq -o /var/tmp/from_scwrl_1578708249.pdb > /var/tmp/scwrl_1578708249.log sh: /var/tmp/scwrl_1578708249.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1578708249.pdb or /var/tmp/from_scwrl_1578708249.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1578708249_b.pdb or decoys//var/tmp/from_scwrl_1578708249_b.pdb.gz for input Trying /var/tmp/from_scwrl_1578708249_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1578708249_b.pdb or /var/tmp/from_scwrl_1578708249_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1578708249_a.pdb or decoys//var/tmp/from_scwrl_1578708249_a.pdb.gz for input Trying /var/tmp/from_scwrl_1578708249_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1578708249_a.pdb or /var/tmp/from_scwrl_1578708249_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1578708249.pdb or /var/tmp/from_scwrl_1578708249_b.pdb or /var/tmp/from_scwrl_1578708249_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 # Found a chain break before 230 # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS4 # request to SCWRL produces command: ulimit -t 210 ; scwrl3 -i /var/tmp/to_scwrl_375052695.pdb -s /var/tmp/to_scwrl_375052695.seq -o /var/tmp/from_scwrl_375052695.pdb > /var/tmp/scwrl_375052695.log sh: /var/tmp/scwrl_375052695.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_375052695.pdb or /var/tmp/from_scwrl_375052695.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_375052695_b.pdb or decoys//var/tmp/from_scwrl_375052695_b.pdb.gz for input Trying /var/tmp/from_scwrl_375052695_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_375052695_b.pdb or /var/tmp/from_scwrl_375052695_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_375052695_a.pdb or decoys//var/tmp/from_scwrl_375052695_a.pdb.gz for input Trying /var/tmp/from_scwrl_375052695_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_375052695_a.pdb or /var/tmp/from_scwrl_375052695_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_375052695.pdb or /var/tmp/from_scwrl_375052695_b.pdb or /var/tmp/from_scwrl_375052695_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 230 # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS5 # request to SCWRL produces command: ulimit -t 210 ; scwrl3 -i /var/tmp/to_scwrl_1081471497.pdb -s /var/tmp/to_scwrl_1081471497.seq -o /var/tmp/from_scwrl_1081471497.pdb > /var/tmp/scwrl_1081471497.log sh: /var/tmp/scwrl_1081471497.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1081471497.pdb or /var/tmp/from_scwrl_1081471497.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1081471497_b.pdb or decoys//var/tmp/from_scwrl_1081471497_b.pdb.gz for input Trying /var/tmp/from_scwrl_1081471497_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1081471497_b.pdb or /var/tmp/from_scwrl_1081471497_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1081471497_a.pdb or decoys//var/tmp/from_scwrl_1081471497_a.pdb.gz for input Trying /var/tmp/from_scwrl_1081471497_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1081471497_a.pdb or /var/tmp/from_scwrl_1081471497_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1081471497.pdb or /var/tmp/from_scwrl_1081471497_b.pdb or /var/tmp/from_scwrl_1081471497_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 T0330 can't currently be optimized by undertaker # naming current conformation karypis.srv_TS1 # request to SCWRL produces command: ulimit -t 210 ; scwrl3 -i /var/tmp/to_scwrl_1061817541.pdb -s /var/tmp/to_scwrl_1061817541.seq -o /var/tmp/from_scwrl_1061817541.pdb > /var/tmp/scwrl_1061817541.log sh: /var/tmp/scwrl_1061817541.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1061817541.pdb or /var/tmp/from_scwrl_1061817541.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1061817541_b.pdb or decoys//var/tmp/from_scwrl_1061817541_b.pdb.gz for input Trying /var/tmp/from_scwrl_1061817541_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1061817541_b.pdb or /var/tmp/from_scwrl_1061817541_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1061817541_a.pdb or decoys//var/tmp/from_scwrl_1061817541_a.pdb.gz for input Trying /var/tmp/from_scwrl_1061817541_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1061817541_a.pdb or /var/tmp/from_scwrl_1061817541_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1061817541.pdb or /var/tmp/from_scwrl_1061817541_b.pdb or /var/tmp/from_scwrl_1061817541_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 # WARNING: incomplete conformation T0330 can't currently be optimized by undertaker # naming current conformation karypis.srv_TS2 # request to SCWRL produces command: ulimit -t 210 ; scwrl3 -i /var/tmp/to_scwrl_685722374.pdb -s /var/tmp/to_scwrl_685722374.seq -o /var/tmp/from_scwrl_685722374.pdb > /var/tmp/scwrl_685722374.log sh: /var/tmp/scwrl_685722374.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_685722374.pdb or /var/tmp/from_scwrl_685722374.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_685722374_b.pdb or decoys//var/tmp/from_scwrl_685722374_b.pdb.gz for input Trying /var/tmp/from_scwrl_685722374_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_685722374_b.pdb or /var/tmp/from_scwrl_685722374_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_685722374_a.pdb or decoys//var/tmp/from_scwrl_685722374_a.pdb.gz for input Trying /var/tmp/from_scwrl_685722374_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_685722374_a.pdb or /var/tmp/from_scwrl_685722374_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_685722374.pdb or /var/tmp/from_scwrl_685722374_b.pdb or /var/tmp/from_scwrl_685722374_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 T0330 can't currently be optimized by undertaker # naming current conformation karypis.srv_TS3 # request to SCWRL produces command: ulimit -t 210 ; scwrl3 -i /var/tmp/to_scwrl_1595094515.pdb -s /var/tmp/to_scwrl_1595094515.seq -o /var/tmp/from_scwrl_1595094515.pdb > /var/tmp/scwrl_1595094515.log sh: /var/tmp/scwrl_1595094515.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1595094515.pdb or /var/tmp/from_scwrl_1595094515.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1595094515_b.pdb or decoys//var/tmp/from_scwrl_1595094515_b.pdb.gz for input Trying /var/tmp/from_scwrl_1595094515_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1595094515_b.pdb or /var/tmp/from_scwrl_1595094515_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1595094515_a.pdb or decoys//var/tmp/from_scwrl_1595094515_a.pdb.gz for input Trying /var/tmp/from_scwrl_1595094515_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1595094515_a.pdb or /var/tmp/from_scwrl_1595094515_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1595094515.pdb or /var/tmp/from_scwrl_1595094515_b.pdb or /var/tmp/from_scwrl_1595094515_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 T0330 can't currently be optimized by undertaker # naming current conformation karypis.srv_TS4 # request to SCWRL produces command: ulimit -t 210 ; scwrl3 -i /var/tmp/to_scwrl_145705455.pdb -s /var/tmp/to_scwrl_145705455.seq -o /var/tmp/from_scwrl_145705455.pdb > /var/tmp/scwrl_145705455.log sh: /var/tmp/scwrl_145705455.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_145705455.pdb or /var/tmp/from_scwrl_145705455.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_145705455_b.pdb or decoys//var/tmp/from_scwrl_145705455_b.pdb.gz for input Trying /var/tmp/from_scwrl_145705455_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_145705455_b.pdb or /var/tmp/from_scwrl_145705455_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_145705455_a.pdb or decoys//var/tmp/from_scwrl_145705455_a.pdb.gz for input Trying /var/tmp/from_scwrl_145705455_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_145705455_a.pdb or /var/tmp/from_scwrl_145705455_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_145705455.pdb or /var/tmp/from_scwrl_145705455_b.pdb or /var/tmp/from_scwrl_145705455_a.pdb Error: no new SCWRL conformation added # naming current conformation karypis.srv_TS4-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0330 can't currently be optimized by undertaker # naming current conformation karypis.srv_TS5 # request to SCWRL produces command: ulimit -t 210 ; scwrl3 -i /var/tmp/to_scwrl_1237799271.pdb -s /var/tmp/to_scwrl_1237799271.seq -o /var/tmp/from_scwrl_1237799271.pdb > /var/tmp/scwrl_1237799271.log sh: /var/tmp/scwrl_1237799271.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1237799271.pdb or /var/tmp/from_scwrl_1237799271.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1237799271_b.pdb or decoys//var/tmp/from_scwrl_1237799271_b.pdb.gz for input Trying /var/tmp/from_scwrl_1237799271_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1237799271_b.pdb or /var/tmp/from_scwrl_1237799271_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1237799271_a.pdb or decoys//var/tmp/from_scwrl_1237799271_a.pdb.gz for input Trying /var/tmp/from_scwrl_1237799271_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1237799271_a.pdb or /var/tmp/from_scwrl_1237799271_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1237799271.pdb or /var/tmp/from_scwrl_1237799271_b.pdb or /var/tmp/from_scwrl_1237799271_a.pdb Error: no new SCWRL conformation added # naming current conformation karypis.srv_TS5-scwrl # ReadConformPDB reading from PDB file servers/keasar-server_TS1.pdb.gz looking for model 1 # Found a chain break before 230 # copying to AlignedFragments data structure # naming current conformation keasar-server_TS1 # request to SCWRL produces command: ulimit -t 210 ; scwrl3 -i /var/tmp/to_scwrl_1428724493.pdb -s /var/tmp/to_scwrl_1428724493.seq -o /var/tmp/from_scwrl_1428724493.pdb > /var/tmp/scwrl_1428724493.log sh: /var/tmp/scwrl_1428724493.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1428724493.pdb or /var/tmp/from_scwrl_1428724493.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1428724493_b.pdb or decoys//var/tmp/from_scwrl_1428724493_b.pdb.gz for input Trying /var/tmp/from_scwrl_1428724493_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1428724493_b.pdb or /var/tmp/from_scwrl_1428724493_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1428724493_a.pdb or decoys//var/tmp/from_scwrl_1428724493_a.pdb.gz for input Trying /var/tmp/from_scwrl_1428724493_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1428724493_a.pdb or /var/tmp/from_scwrl_1428724493_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1428724493.pdb or /var/tmp/from_scwrl_1428724493_b.pdb or /var/tmp/from_scwrl_1428724493_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 226 # copying to AlignedFragments data structure # naming current conformation keasar-server_TS2 # request to SCWRL produces command: ulimit -t 210 ; scwrl3 -i /var/tmp/to_scwrl_1962243100.pdb -s /var/tmp/to_scwrl_1962243100.seq -o /var/tmp/from_scwrl_1962243100.pdb > /var/tmp/scwrl_1962243100.log sh: /var/tmp/scwrl_1962243100.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1962243100.pdb or /var/tmp/from_scwrl_1962243100.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1962243100_b.pdb or decoys//var/tmp/from_scwrl_1962243100_b.pdb.gz for input Trying /var/tmp/from_scwrl_1962243100_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1962243100_b.pdb or /var/tmp/from_scwrl_1962243100_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1962243100_a.pdb or decoys//var/tmp/from_scwrl_1962243100_a.pdb.gz for input Trying /var/tmp/from_scwrl_1962243100_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1962243100_a.pdb or /var/tmp/from_scwrl_1962243100_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1962243100.pdb or /var/tmp/from_scwrl_1962243100_b.pdb or /var/tmp/from_scwrl_1962243100_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 184 # copying to AlignedFragments data structure # naming current conformation keasar-server_TS3 # request to SCWRL produces command: ulimit -t 210 ; scwrl3 -i /var/tmp/to_scwrl_1094593666.pdb -s /var/tmp/to_scwrl_1094593666.seq -o /var/tmp/from_scwrl_1094593666.pdb > /var/tmp/scwrl_1094593666.log sh: /var/tmp/scwrl_1094593666.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1094593666.pdb or /var/tmp/from_scwrl_1094593666.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1094593666_b.pdb or decoys//var/tmp/from_scwrl_1094593666_b.pdb.gz for input Trying /var/tmp/from_scwrl_1094593666_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1094593666_b.pdb or /var/tmp/from_scwrl_1094593666_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1094593666_a.pdb or decoys//var/tmp/from_scwrl_1094593666_a.pdb.gz for input Trying /var/tmp/from_scwrl_1094593666_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1094593666_a.pdb or /var/tmp/from_scwrl_1094593666_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1094593666.pdb or /var/tmp/from_scwrl_1094593666_b.pdb or /var/tmp/from_scwrl_1094593666_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 153 # copying to AlignedFragments data structure # naming current conformation keasar-server_TS4 # request to SCWRL produces command: ulimit -t 210 ; scwrl3 -i /var/tmp/to_scwrl_196112739.pdb -s /var/tmp/to_scwrl_196112739.seq -o /var/tmp/from_scwrl_196112739.pdb > /var/tmp/scwrl_196112739.log sh: /var/tmp/scwrl_196112739.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_196112739.pdb or /var/tmp/from_scwrl_196112739.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_196112739_b.pdb or decoys//var/tmp/from_scwrl_196112739_b.pdb.gz for input Trying /var/tmp/from_scwrl_196112739_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_196112739_b.pdb or /var/tmp/from_scwrl_196112739_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_196112739_a.pdb or decoys//var/tmp/from_scwrl_196112739_a.pdb.gz for input Trying /var/tmp/from_scwrl_196112739_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_196112739_a.pdb or /var/tmp/from_scwrl_196112739_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_196112739.pdb or /var/tmp/from_scwrl_196112739_b.pdb or /var/tmp/from_scwrl_196112739_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 227 # copying to AlignedFragments data structure # naming current conformation keasar-server_TS5 # request to SCWRL produces command: ulimit -t 210 ; scwrl3 -i /var/tmp/to_scwrl_1080405511.pdb -s /var/tmp/to_scwrl_1080405511.seq -o /var/tmp/from_scwrl_1080405511.pdb > /var/tmp/scwrl_1080405511.log sh: /var/tmp/scwrl_1080405511.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1080405511.pdb or /var/tmp/from_scwrl_1080405511.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1080405511_b.pdb or decoys//var/tmp/from_scwrl_1080405511_b.pdb.gz for input Trying /var/tmp/from_scwrl_1080405511_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1080405511_b.pdb or /var/tmp/from_scwrl_1080405511_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1080405511_a.pdb or decoys//var/tmp/from_scwrl_1080405511_a.pdb.gz for input Trying /var/tmp/from_scwrl_1080405511_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1080405511_a.pdb or /var/tmp/from_scwrl_1080405511_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1080405511.pdb or /var/tmp/from_scwrl_1080405511_b.pdb or /var/tmp/from_scwrl_1080405511_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 T0330 can't currently be optimized by undertaker # naming current conformation mGen-3D_TS1 # request to SCWRL produces command: ulimit -t 210 ; scwrl3 -i /var/tmp/to_scwrl_1372258364.pdb -s /var/tmp/to_scwrl_1372258364.seq -o /var/tmp/from_scwrl_1372258364.pdb > /var/tmp/scwrl_1372258364.log sh: /var/tmp/scwrl_1372258364.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1372258364.pdb or /var/tmp/from_scwrl_1372258364.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1372258364_b.pdb or decoys//var/tmp/from_scwrl_1372258364_b.pdb.gz for input Trying /var/tmp/from_scwrl_1372258364_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1372258364_b.pdb or /var/tmp/from_scwrl_1372258364_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1372258364_a.pdb or decoys//var/tmp/from_scwrl_1372258364_a.pdb.gz for input Trying /var/tmp/from_scwrl_1372258364_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1372258364_a.pdb or /var/tmp/from_scwrl_1372258364_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1372258364.pdb or /var/tmp/from_scwrl_1372258364_b.pdb or /var/tmp/from_scwrl_1372258364_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 T0330 can't currently be optimized by undertaker # naming current conformation nFOLD_TS1 # request to SCWRL produces command: ulimit -t 210 ; scwrl3 -i /var/tmp/to_scwrl_1770656022.pdb -s /var/tmp/to_scwrl_1770656022.seq -o /var/tmp/from_scwrl_1770656022.pdb > /var/tmp/scwrl_1770656022.log sh: /var/tmp/scwrl_1770656022.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1770656022.pdb or /var/tmp/from_scwrl_1770656022.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1770656022_b.pdb or decoys//var/tmp/from_scwrl_1770656022_b.pdb.gz for input Trying /var/tmp/from_scwrl_1770656022_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1770656022_b.pdb or /var/tmp/from_scwrl_1770656022_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1770656022_a.pdb or decoys//var/tmp/from_scwrl_1770656022_a.pdb.gz for input Trying /var/tmp/from_scwrl_1770656022_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1770656022_a.pdb or /var/tmp/from_scwrl_1770656022_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1770656022.pdb or /var/tmp/from_scwrl_1770656022_b.pdb or /var/tmp/from_scwrl_1770656022_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 T0330 can't currently be optimized by undertaker # naming current conformation nFOLD_TS2 # request to SCWRL produces command: ulimit -t 210 ; scwrl3 -i /var/tmp/to_scwrl_246339789.pdb -s /var/tmp/to_scwrl_246339789.seq -o /var/tmp/from_scwrl_246339789.pdb > /var/tmp/scwrl_246339789.log sh: /var/tmp/scwrl_246339789.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_246339789.pdb or /var/tmp/from_scwrl_246339789.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_246339789_b.pdb or decoys//var/tmp/from_scwrl_246339789_b.pdb.gz for input Trying /var/tmp/from_scwrl_246339789_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_246339789_b.pdb or /var/tmp/from_scwrl_246339789_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_246339789_a.pdb or decoys//var/tmp/from_scwrl_246339789_a.pdb.gz for input Trying /var/tmp/from_scwrl_246339789_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_246339789_a.pdb or /var/tmp/from_scwrl_246339789_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_246339789.pdb or /var/tmp/from_scwrl_246339789_b.pdb or /var/tmp/from_scwrl_246339789_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 T0330 can't currently be optimized by undertaker # naming current conformation nFOLD_TS3 # request to SCWRL produces command: ulimit -t 210 ; scwrl3 -i /var/tmp/to_scwrl_1653507954.pdb -s /var/tmp/to_scwrl_1653507954.seq -o /var/tmp/from_scwrl_1653507954.pdb > /var/tmp/scwrl_1653507954.log sh: /var/tmp/scwrl_1653507954.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1653507954.pdb or /var/tmp/from_scwrl_1653507954.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1653507954_b.pdb or decoys//var/tmp/from_scwrl_1653507954_b.pdb.gz for input Trying /var/tmp/from_scwrl_1653507954_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1653507954_b.pdb or /var/tmp/from_scwrl_1653507954_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1653507954_a.pdb or decoys//var/tmp/from_scwrl_1653507954_a.pdb.gz for input Trying /var/tmp/from_scwrl_1653507954_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1653507954_a.pdb or /var/tmp/from_scwrl_1653507954_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1653507954.pdb or /var/tmp/from_scwrl_1653507954_b.pdb or /var/tmp/from_scwrl_1653507954_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 T0330 can't currently be optimized by undertaker # naming current conformation nFOLD_TS4 # request to SCWRL produces command: ulimit -t 210 ; scwrl3 -i /var/tmp/to_scwrl_408641452.pdb -s /var/tmp/to_scwrl_408641452.seq -o /var/tmp/from_scwrl_408641452.pdb > /var/tmp/scwrl_408641452.log sh: /var/tmp/scwrl_408641452.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_408641452.pdb or /var/tmp/from_scwrl_408641452.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_408641452_b.pdb or decoys//var/tmp/from_scwrl_408641452_b.pdb.gz for input Trying /var/tmp/from_scwrl_408641452_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_408641452_b.pdb or /var/tmp/from_scwrl_408641452_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_408641452_a.pdb or decoys//var/tmp/from_scwrl_408641452_a.pdb.gz for input Trying /var/tmp/from_scwrl_408641452_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_408641452_a.pdb or /var/tmp/from_scwrl_408641452_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_408641452.pdb or /var/tmp/from_scwrl_408641452_b.pdb or /var/tmp/from_scwrl_408641452_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 T0330 can't currently be optimized by undertaker # naming current conformation nFOLD_TS5 # request to SCWRL produces command: ulimit -t 210 ; scwrl3 -i /var/tmp/to_scwrl_1104804786.pdb -s /var/tmp/to_scwrl_1104804786.seq -o /var/tmp/from_scwrl_1104804786.pdb > /var/tmp/scwrl_1104804786.log sh: /var/tmp/scwrl_1104804786.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1104804786.pdb or /var/tmp/from_scwrl_1104804786.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1104804786_b.pdb or decoys//var/tmp/from_scwrl_1104804786_b.pdb.gz for input Trying /var/tmp/from_scwrl_1104804786_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1104804786_b.pdb or /var/tmp/from_scwrl_1104804786_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1104804786_a.pdb or decoys//var/tmp/from_scwrl_1104804786_a.pdb.gz for input Trying /var/tmp/from_scwrl_1104804786_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1104804786_a.pdb or /var/tmp/from_scwrl_1104804786_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1104804786.pdb or /var/tmp/from_scwrl_1104804786_b.pdb or /var/tmp/from_scwrl_1104804786_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 T0330 can't currently be optimized by undertaker # naming current conformation panther2_TS1 # request to SCWRL produces command: ulimit -t 210 ; scwrl3 -i /var/tmp/to_scwrl_176784945.pdb -s /var/tmp/to_scwrl_176784945.seq -o /var/tmp/from_scwrl_176784945.pdb > /var/tmp/scwrl_176784945.log sh: /var/tmp/scwrl_176784945.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_176784945.pdb or /var/tmp/from_scwrl_176784945.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_176784945_b.pdb or decoys//var/tmp/from_scwrl_176784945_b.pdb.gz for input Trying /var/tmp/from_scwrl_176784945_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_176784945_b.pdb or /var/tmp/from_scwrl_176784945_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_176784945_a.pdb or decoys//var/tmp/from_scwrl_176784945_a.pdb.gz for input Trying /var/tmp/from_scwrl_176784945_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_176784945_a.pdb or /var/tmp/from_scwrl_176784945_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_176784945.pdb or /var/tmp/from_scwrl_176784945_b.pdb or /var/tmp/from_scwrl_176784945_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 231 # copying to AlignedFragments data structure # naming current conformation shub_TS1 # request to SCWRL produces command: ulimit -t 210 ; scwrl3 -i /var/tmp/to_scwrl_894062576.pdb -s /var/tmp/to_scwrl_894062576.seq -o /var/tmp/from_scwrl_894062576.pdb > /var/tmp/scwrl_894062576.log sh: /var/tmp/scwrl_894062576.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_894062576.pdb or /var/tmp/from_scwrl_894062576.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_894062576_b.pdb or decoys//var/tmp/from_scwrl_894062576_b.pdb.gz for input Trying /var/tmp/from_scwrl_894062576_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_894062576_b.pdb or /var/tmp/from_scwrl_894062576_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_894062576_a.pdb or decoys//var/tmp/from_scwrl_894062576_a.pdb.gz for input Trying /var/tmp/from_scwrl_894062576_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_894062576_a.pdb or /var/tmp/from_scwrl_894062576_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_894062576.pdb or /var/tmp/from_scwrl_894062576_b.pdb or /var/tmp/from_scwrl_894062576_a.pdb Error: no new SCWRL conformation added # naming current conformation shub_TS1-scwrl # command:CPU_time= 48.363 sec, elapsed time= 55.559 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 74.901 real_cost = -11.202 panther2_TS1-scwrl costs 73.105 real_cost = 98.366 nFOLD_TS5-scwrl costs 67.967 real_cost = 193.674 nFOLD_TS4-scwrl costs 56.982 real_cost = 183.381 nFOLD_TS3-scwrl costs 64.154 real_cost = 165.959 nFOLD_TS2-scwrl costs 67.817 real_cost = 119.866 nFOLD_TS1-scwrl costs 57.652 real_cost = 214.158 mGen-3D_TS1-scwrl costs 61.451 real_cost = 95.267 keasar-server_TS5-scwrl costs 74.482 real_cost = -4.756 keasar-server_TS4-scwrl costs 68.367 real_cost = 10.015 keasar-server_TS3-scwrl costs 91.983 real_cost = 108.528 keasar-server_TS2-scwrl costs 65.658 real_cost = -21.406 keasar-server_TS1-scwrl costs 61.399 real_cost = -24.690 karypis.srv_TS5-scwrl costs 75.739 real_cost = 121.231 karypis.srv_TS4-scwrl costs 65.997 real_cost = 62.777 karypis.srv_TS3-scwrl costs 67.022 real_cost = 68.490 karypis.srv_TS2-scwrl costs 57.235 real_cost = 2.321 karypis.srv_TS1-scwrl costs 59.093 real_cost = 8.066 karypis.srv.4_TS5-scwrl costs 136.555 real_cost = 279.987 karypis.srv.4_TS4-scwrl costs 143.871 real_cost = 332.680 karypis.srv.4_TS3-scwrl costs 134.050 real_cost = 309.295 karypis.srv.4_TS2-scwrl costs 143.461 real_cost = 293.297 karypis.srv.4_TS1-scwrl costs 122.701 real_cost = 282.858 karypis.srv.2_TS5-scwrl costs 57.775 real_cost = -32.615 karypis.srv.2_TS4-scwrl costs 62.796 real_cost = -11.827 karypis.srv.2_TS3-scwrl costs 57.328 real_cost = -2.803 karypis.srv.2_TS2-scwrl costs 53.748 real_cost = -47.067 karypis.srv.2_TS1-scwrl costs 54.069 real_cost = -47.485 gtg_AL5-scwrl costs 96.777 real_cost = 357.631 gtg_AL4-scwrl costs 69.317 real_cost = 175.894 gtg_AL3-scwrl costs 111.780 real_cost = 346.977 gtg_AL2-scwrl costs 57.823 real_cost = 168.861 gtg_AL1-scwrl costs 72.608 real_cost = 262.508 forecast-s_AL5-scwrl costs 70.323 real_cost = 262.834 forecast-s_AL4-scwrl costs 77.888 real_cost = 331.687 forecast-s_AL3-scwrl costs 77.030 real_cost = 254.904 forecast-s_AL2-scwrl costs 60.895 real_cost = 171.005 forecast-s_AL1-scwrl costs 64.937 real_cost = 200.948 beautshotbase_TS1-scwrl costs 64.829 real_cost = -0.371 beautshot_TS1-scwrl costs 71.652 real_cost = -5.540 Zhang-Server_TS5-scwrl costs 88.955 real_cost = -26.784 Zhang-Server_TS4-scwrl costs 50.751 real_cost = 52.361 Zhang-Server_TS3-scwrl costs 43.221 real_cost = -62.040 Zhang-Server_TS2-scwrl costs 46.835 real_cost = -64.074 Zhang-Server_TS1-scwrl costs 36.168 real_cost = -56.366 UNI-EID_sfst_AL5-scwrl costs 59.526 real_cost = 167.924 UNI-EID_sfst_AL4-scwrl costs 54.677 real_cost = 184.361 UNI-EID_sfst_AL3-scwrl costs 58.583 real_cost = 171.596 UNI-EID_sfst_AL2-scwrl costs 60.802 real_cost = 132.446 UNI-EID_sfst_AL1-scwrl costs 54.151 real_cost = 163.526 UNI-EID_expm_TS1-scwrl costs 83.666 real_cost = 96.016 UNI-EID_bnmx_TS5-scwrl costs 61.060 real_cost = 154.403 UNI-EID_bnmx_TS4-scwrl costs 54.927 real_cost = 181.525 UNI-EID_bnmx_TS3-scwrl costs 59.421 real_cost = 201.532 UNI-EID_bnmx_TS2-scwrl costs 61.088 real_cost = 133.142 UNI-EID_bnmx_TS1-scwrl costs 54.151 real_cost = 163.526 SPARKS2_TS5-scwrl costs 66.510 real_cost = 45.117 SPARKS2_TS4-scwrl costs 55.125 real_cost = 56.526 SPARKS2_TS3-scwrl costs 78.615 real_cost = 85.841 SPARKS2_TS2-scwrl costs 64.271 real_cost = 13.689 SPARKS2_TS1-scwrl costs 58.479 real_cost = -28.696 SP4_TS5-scwrl costs 51.960 real_cost = -29.869 SP4_TS4-scwrl costs 64.764 real_cost = 85.141 SP4_TS3-scwrl costs 63.786 real_cost = 11.997 SP4_TS2-scwrl costs 54.200 real_cost = 29.103 SP4_TS1-scwrl costs 57.316 real_cost = -30.605 SP3_TS5-scwrl costs 53.609 real_cost = -9.127 SP3_TS4-scwrl costs 75.435 real_cost = 83.818 SP3_TS3-scwrl costs 63.499 real_cost = 17.709 SP3_TS2-scwrl costs 60.611 real_cost = 52.612 SP3_TS1-scwrl costs 58.368 real_cost = -22.696 SAM_T06_server_TS5-scwrl costs 61.972 real_cost = 98.833 SAM_T06_server_TS4-scwrl costs 74.645 real_cost = 41.295 SAM_T06_server_TS3-scwrl costs 64.936 real_cost = 72.848 SAM_T06_server_TS2-scwrl costs 63.144 real_cost = 71.985 SAM_T06_server_TS1-scwrl costs 67.583 real_cost = 65.954 SAM-T99_AL5-scwrl costs 80.906 real_cost = 223.544 SAM-T99_AL4-scwrl costs 59.187 real_cost = 177.232 SAM-T99_AL3-scwrl costs 61.575 real_cost = 199.714 SAM-T99_AL2-scwrl costs 61.590 real_cost = 209.338 SAM-T99_AL1-scwrl costs 61.856 real_cost = 156.327 SAM-T02_AL5-scwrl costs 68.826 real_cost = 170.740 SAM-T02_AL4-scwrl costs 59.302 real_cost = 257.988 SAM-T02_AL3-scwrl costs 62.189 real_cost = 188.182 SAM-T02_AL2-scwrl costs 60.745 real_cost = 190.296 SAM-T02_AL1-scwrl costs 52.483 real_cost = 175.546 ROKKY_TS5-scwrl costs 64.648 real_cost = -16.621 ROKKY_TS4-scwrl costs 60.141 real_cost = 4.899 ROKKY_TS3-scwrl costs 58.818 real_cost = 6.671 ROKKY_TS2-scwrl costs 58.159 real_cost = -3.135 ROKKY_TS1-scwrl costs 64.783 real_cost = 24.907 ROBETTA_TS5-scwrl costs 42.024 real_cost = -51.597 ROBETTA_TS4-scwrl costs 38.684 real_cost = -58.455 ROBETTA_TS3-scwrl costs 37.565 real_cost = -74.247 ROBETTA_TS2-scwrl costs 42.457 real_cost = -19.821 ROBETTA_TS1-scwrl costs 38.656 real_cost = -54.450 RAPTOR_TS5-scwrl costs 54.659 real_cost = -38.900 RAPTOR_TS4-scwrl costs 51.242 real_cost = -31.209 RAPTOR_TS3-scwrl costs 53.286 real_cost = -25.163 RAPTOR_TS2-scwrl costs 48.167 real_cost = -8.782 RAPTOR_TS1-scwrl costs 60.791 real_cost = -0.131 RAPTORESS_TS5-scwrl costs 66.304 real_cost = -14.307 RAPTORESS_TS4-scwrl costs 53.121 real_cost = -14.007 RAPTORESS_TS3-scwrl costs 59.770 real_cost = 0.320 RAPTORESS_TS2-scwrl costs 52.606 real_cost = 12.976 RAPTORESS_TS1-scwrl costs 67.812 real_cost = -2.012 RAPTOR-ACE_TS5-scwrl costs 56.251 real_cost = 34.986 RAPTOR-ACE_TS4-scwrl costs 64.357 real_cost = 0.203 RAPTOR-ACE_TS3-scwrl costs 50.097 real_cost = -25.617 RAPTOR-ACE_TS2-scwrl costs 58.368 real_cost = -22.696 RAPTOR-ACE_TS1-scwrl costs 56.115 real_cost = -24.471 Pmodeller6_TS5-scwrl costs 42.457 real_cost = -19.821 Pmodeller6_TS4-scwrl costs 44.925 real_cost = -26.166 Pmodeller6_TS3-scwrl costs 37.565 real_cost = -74.247 Pmodeller6_TS2-scwrl costs 38.684 real_cost = -58.455 Pmodeller6_TS1-scwrl costs 38.656 real_cost = -54.450 Phyre-2_TS5-scwrl costs 53.758 real_cost = -5.845 Phyre-2_TS4-scwrl costs 53.461 real_cost = -5.177 Phyre-2_TS3-scwrl costs 53.638 real_cost = -6.459 Phyre-2_TS2-scwrl costs 53.638 real_cost = -6.459 Phyre-2_TS1-scwrl costs 53.148 real_cost = -6.459 Phyre-1_TS1-scwrl costs 56.553 real_cost = -7.710 Pcons6_TS5-scwrl costs 48.347 real_cost = 0.364 Pcons6_TS4-scwrl costs 68.824 real_cost = 37.882 Pcons6_TS3-scwrl costs 58.339 real_cost = -14.021 Pcons6_TS2-scwrl costs 44.176 real_cost = -43.687 Pcons6_TS1-scwrl costs 62.607 real_cost = -19.912 PROTINFO_TS5-scwrl costs 64.482 real_cost = -35.870 PROTINFO_TS4-scwrl costs 72.687 real_cost = 79.947 PROTINFO_TS3-scwrl costs 65.177 real_cost = -31.344 PROTINFO_TS2-scwrl costs 73.789 real_cost = 76.252 PROTINFO_TS1-scwrl costs 64.375 real_cost = -19.489 PROTINFO-AB_TS5-scwrl costs 66.208 real_cost = -23.065 PROTINFO-AB_TS4-scwrl costs 59.952 real_cost = -25.199 PROTINFO-AB_TS3-scwrl costs 62.540 real_cost = -29.452 PROTINFO-AB_TS2-scwrl costs 60.071 real_cost = -19.906 PROTINFO-AB_TS1-scwrl costs 64.561 real_cost = -21.334 POMYSL_TS5-scwrl costs 139.924 real_cost = 558.210 POMYSL_TS4-scwrl costs 135.689 real_cost = 578.221 POMYSL_TS3-scwrl costs 141.941 real_cost = 600.275 POMYSL_TS2-scwrl costs 137.899 real_cost = 530.419 POMYSL_TS1-scwrl costs 136.827 real_cost = 569.859 NN_PUT_lab_TS1-scwrl costs 58.368 real_cost = -22.696 MetaTasser_TS4-scwrl costs 51.271 real_cost = -63.024 MetaTasser_TS3-scwrl costs 77.505 real_cost = 45.425 MetaTasser_TS2-scwrl costs 64.719 real_cost = -23.014 MetaTasser_TS1-scwrl costs 50.588 real_cost = -65.314 Ma-OPUS-server_TS5-scwrl costs 54.303 real_cost = -9.688 Ma-OPUS-server_TS4-scwrl costs 51.958 real_cost = 23.969 Ma-OPUS-server_TS3-scwrl costs 54.156 real_cost = -8.723 Ma-OPUS-server_TS2-scwrl costs 57.452 real_cost = -25.223 Ma-OPUS-server_TS1-scwrl costs 55.724 real_cost = -39.364 Ma-OPUS-server2_TS5-scwrl costs 73.099 real_cost = 74.251 Ma-OPUS-server2_TS4-scwrl costs 51.958 real_cost = 23.969 Ma-OPUS-server2_TS3-scwrl costs 57.452 real_cost = -25.223 Ma-OPUS-server2_TS2-scwrl costs 52.419 real_cost = -4.388 Ma-OPUS-server2_TS1-scwrl costs 58.677 real_cost = -36.040 LOOPP_TS5-scwrl costs 63.739 real_cost = 14.471 LOOPP_TS4-scwrl costs 67.609 real_cost = 74.978 LOOPP_TS3-scwrl costs 55.908 real_cost = 34.020 LOOPP_TS2-scwrl costs 61.752 real_cost = 53.211 LOOPP_TS1-scwrl costs 63.857 real_cost = 36.943 Huber-Torda-Server_TS5-scwrl costs 95.594 real_cost = 242.533 Huber-Torda-Server_TS4-scwrl costs 76.198 real_cost = 254.210 Huber-Torda-Server_TS3-scwrl costs 75.889 real_cost = 241.769 Huber-Torda-Server_TS2-scwrl costs 70.944 real_cost = 206.119 Huber-Torda-Server_TS1-scwrl costs 74.755 real_cost = 216.092 HHpred3_TS1-scwrl costs 43.823 real_cost = -60.233 HHpred2_TS1-scwrl costs 46.584 real_cost = -57.740 HHpred1_TS1-scwrl costs 57.366 real_cost = -16.385 GeneSilicoMetaServer_TS5-scwrl costs 58.524 real_cost = -12.137 GeneSilicoMetaServer_TS4-scwrl costs 60.707 real_cost = 52.367 GeneSilicoMetaServer_TS3-scwrl costs 63.488 real_cost = 5.947 GeneSilicoMetaServer_TS2-scwrl costs 60.389 real_cost = -25.328 GeneSilicoMetaServer_TS1-scwrl costs 56.930 real_cost = -30.648 Frankenstein_TS5-scwrl costs 61.624 real_cost = 92.188 Frankenstein_TS4-scwrl costs 80.481 real_cost = 159.576 Frankenstein_TS3-scwrl costs 72.489 real_cost = 60.372 Frankenstein_TS2-scwrl costs 65.441 real_cost = 88.905 Frankenstein_TS1-scwrl costs 55.679 real_cost = -1.246 FUNCTION_TS5-scwrl costs 63.218 real_cost = -25.044 FUNCTION_TS4-scwrl costs 60.755 real_cost = -7.528 FUNCTION_TS3-scwrl costs 62.467 real_cost = 49.969 FUNCTION_TS2-scwrl costs 64.953 real_cost = -40.786 FUNCTION_TS1-scwrl costs 53.496 real_cost = -35.245 FUGUE_AL5-scwrl costs 82.259 real_cost = 287.450 FUGUE_AL4-scwrl costs 90.101 real_cost = 295.792 FUGUE_AL3-scwrl costs 66.840 real_cost = 248.691 FUGUE_AL2-scwrl costs 76.418 real_cost = 267.101 FUGUE_AL1-scwrl costs 60.412 real_cost = 161.742 FUGMOD_TS5-scwrl costs 76.276 real_cost = 138.926 FUGMOD_TS4-scwrl costs 95.306 real_cost = 107.083 FUGMOD_TS3-scwrl costs 66.465 real_cost = 61.806 FUGMOD_TS2-scwrl costs 70.747 real_cost = 87.036 FUGMOD_TS1-scwrl costs 52.533 real_cost = -30.068 FPSOLVER-SERVER_TS5-scwrl costs 90.697 real_cost = 292.310 FPSOLVER-SERVER_TS4-scwrl costs 105.779 real_cost = 325.744 FPSOLVER-SERVER_TS3-scwrl costs 92.563 real_cost = 278.355 FPSOLVER-SERVER_TS2-scwrl costs 106.725 real_cost = 285.195 FPSOLVER-SERVER_TS1-scwrl costs 106.962 real_cost = 284.783 FORTE2_AL5-scwrl costs 66.354 real_cost = 222.559 FORTE2_AL4-scwrl costs 56.562 real_cost = 244.546 FORTE2_AL3-scwrl costs 73.296 real_cost = 296.461 FORTE2_AL2-scwrl costs 63.784 real_cost = 208.583 FORTE2_AL1-scwrl costs 63.442 real_cost = 315.082 FORTE1_AL5-scwrl costs 56.562 real_cost = 244.546 FORTE1_AL4-scwrl costs 81.759 real_cost = 374.734 FORTE1_AL3-scwrl costs 73.161 real_cost = 297.388 FORTE1_AL2-scwrl costs 64.895 real_cost = 209.225 FORTE1_AL1-scwrl costs 63.442 real_cost = 315.082 FOLDpro_TS5-scwrl costs 119.222 real_cost = 296.500 FOLDpro_TS4-scwrl costs 73.208 real_cost = 102.563 FOLDpro_TS3-scwrl costs 98.136 real_cost = 256.263 FOLDpro_TS2-scwrl costs 130.741 real_cost = 303.910 FOLDpro_TS1-scwrl costs 44.734 real_cost = -67.908 FAMS_TS5-scwrl costs 56.925 real_cost = -32.720 FAMS_TS4-scwrl costs 56.925 real_cost = -32.720 FAMS_TS3-scwrl costs 54.401 real_cost = -44.477 FAMS_TS2-scwrl costs 58.669 real_cost = -2.514 FAMS_TS1-scwrl costs 56.131 real_cost = -22.562 FAMSD_TS5-scwrl costs 60.356 real_cost = 5.987 FAMSD_TS4-scwrl costs 59.506 real_cost = -5.403 FAMSD_TS3-scwrl costs 63.638 real_cost = -9.398 FAMSD_TS2-scwrl costs 56.925 real_cost = -32.720 FAMSD_TS1-scwrl costs 53.503 real_cost = -52.214 Distill_TS5-scwrl costs 242.517 real_cost = 489.605 Distill_TS4-scwrl costs 240.478 real_cost = 507.866 Distill_TS3-scwrl costs 242.204 real_cost = 504.295 Distill_TS2-scwrl costs 240.541 real_cost = 499.711 Distill_TS1-scwrl costs 243.003 real_cost = 469.970 CaspIta-FOX_TS5-scwrl costs 73.823 real_cost = 117.159 CaspIta-FOX_TS4-scwrl costs 66.112 real_cost = 24.550 CaspIta-FOX_TS3-scwrl costs 51.547 real_cost = -17.650 CaspIta-FOX_TS2-scwrl costs 67.062 real_cost = 36.880 CaspIta-FOX_TS1-scwrl costs 59.819 real_cost = 45.179 CPHmodels_TS1-scwrl costs 70.971 real_cost = 48.981 CIRCLE_TS5-scwrl costs 58.669 real_cost = -2.514 CIRCLE_TS4-scwrl costs 55.480 real_cost = -38.267 CIRCLE_TS3-scwrl costs 53.966 real_cost = -47.464 CIRCLE_TS2-scwrl costs 56.925 real_cost = -32.720 CIRCLE_TS1-scwrl costs 54.401 real_cost = -44.477 Bilab-ENABLE_TS5-scwrl costs 58.851 real_cost = 12.353 Bilab-ENABLE_TS4-scwrl costs 62.003 real_cost = 14.551 Bilab-ENABLE_TS3-scwrl costs 59.767 real_cost = -12.889 Bilab-ENABLE_TS2-scwrl costs 53.622 real_cost = 7.269 Bilab-ENABLE_TS1-scwrl costs 50.486 real_cost = -6.801 BayesHH_TS1-scwrl costs 43.823 real_cost = -60.233 ABIpro_TS5-scwrl costs 58.616 real_cost = 246.184 ABIpro_TS4-scwrl costs 64.122 real_cost = 246.698 ABIpro_TS3-scwrl costs 60.845 real_cost = 240.446 ABIpro_TS2-scwrl costs 65.184 real_cost = 253.238 ABIpro_TS1-scwrl costs 74.678 real_cost = 249.263 3Dpro_TS5-scwrl costs 70.209 real_cost = 107.325 3Dpro_TS4-scwrl costs 96.095 real_cost = 261.707 3Dpro_TS3-scwrl costs 80.498 real_cost = 144.271 3Dpro_TS2-scwrl costs 95.842 real_cost = 130.932 3Dpro_TS1-scwrl costs 43.704 real_cost = -57.269 3D-JIGSAW_TS5-scwrl costs 94.993 real_cost = 185.336 3D-JIGSAW_TS4-scwrl costs 82.562 real_cost = 168.230 3D-JIGSAW_TS3-scwrl costs 84.732 real_cost = 185.668 3D-JIGSAW_TS2-scwrl costs 92.041 real_cost = 161.749 3D-JIGSAW_TS1-scwrl costs 80.770 real_cost = 171.001 3D-JIGSAW_RECOM_TS5-scwrl costs 84.054 real_cost = 165.346 3D-JIGSAW_RECOM_TS4-scwrl costs 93.916 real_cost = 158.406 3D-JIGSAW_RECOM_TS3-scwrl costs 84.004 real_cost = 139.573 3D-JIGSAW_RECOM_TS2-scwrl costs 85.714 real_cost = 144.063 3D-JIGSAW_RECOM_TS1-scwrl costs 83.034 real_cost = 132.608 3D-JIGSAW_POPULUS_TS5-scwrl costs 92.397 real_cost = 137.140 3D-JIGSAW_POPULUS_TS4-scwrl costs 88.586 real_cost = 107.127 3D-JIGSAW_POPULUS_TS3-scwrl costs 94.360 real_cost = 175.954 3D-JIGSAW_POPULUS_TS2-scwrl costs 87.722 real_cost = 125.048 3D-JIGSAW_POPULUS_TS1-scwrl costs 83.432 real_cost = 113.044 T0330.try9-opt2.repack-nonPC.pdb.gz costs 68.745 real_cost = 67.568 T0330.try9-opt2.pdb.gz costs 68.745 real_cost = 66.564 T0330.try9-opt2.gromacs0.repack-nonPC.pdb.gz costs 62.941 real_cost = 68.547 T0330.try9-opt2.gromacs0.pdb.gz costs 62.941 real_cost = 67.545 T0330.try9-opt1.pdb.gz costs 65.807 real_cost = 66.899 T0330.try9-opt1-scwrl.pdb.gz costs 65.807 real_cost = 65.984 T0330.try8-opt2.repack-nonPC.pdb.gz costs 48.293 real_cost = -17.442 T0330.try8-opt2.pdb.gz costs 48.293 real_cost = -16.099 T0330.try8-opt2.gromacs0.repack-nonPC.pdb.gz costs 45.645 real_cost = -16.277 T0330.try8-opt2.gromacs0.pdb.gz costs 45.645 real_cost = -14.496 T0330.try8-opt1.pdb.gz costs 48.831 real_cost = -14.906 T0330.try8-opt1-scwrl.pdb.gz costs 48.831 real_cost = -17.948 T0330.try7-opt2.repack-nonPC.pdb.gz costs 54.329 real_cost = -16.920 T0330.try7-opt2.pdb.gz costs 54.329 real_cost = -18.637 T0330.try7-opt2.gromacs0.repack-nonPC.pdb.gz costs 45.395 real_cost = -19.030 T0330.try7-opt2.gromacs0.pdb.gz costs 45.395 real_cost = -18.210 T0330.try7-opt1.pdb.gz costs 52.295 real_cost = -10.186 T0330.try7-opt1-scwrl.pdb.gz costs 52.295 real_cost = -13.510 T0330.try6-opt2.repack-nonPC.pdb.gz costs 72.068 real_cost = 71.383 T0330.try6-opt2.pdb.gz costs 72.068 real_cost = 68.715 T0330.try6-opt2.gromacs0.pdb.gz costs 61.643 real_cost = 68.833 T0330.try6-opt1.pdb.gz costs 71.024 real_cost = 68.371 T0330.try6-opt1-scwrl.pdb.gz costs 71.024 real_cost = 68.979 T0330.try5-opt2.repack-nonPC.pdb.gz costs 57.581 real_cost = -16.256 T0330.try5-opt2.pdb.gz costs 57.581 real_cost = -16.181 T0330.try5-opt2.gromacs0.pdb.gz costs 45.555 real_cost = -15.052 T0330.try5-opt1.pdb.gz costs 56.574 real_cost = -12.967 T0330.try5-opt1-scwrl.pdb.gz costs 56.574 real_cost = -14.547 T0330.try4-opt2.repack-nonPC.pdb.gz costs 73.459 real_cost = 67.951 T0330.try4-opt2.pdb.gz costs 73.459 real_cost = 66.094 T0330.try4-opt2.gromacs0.pdb.gz costs 62.086 real_cost = 67.916 T0330.try4-opt1.pdb.gz costs 69.585 real_cost = 69.652 T0330.try4-opt1-scwrl.pdb.gz costs 69.585 real_cost = 69.955 T0330.try3-opt2.repack-nonPC.pdb.gz costs 66.092 real_cost = 40.897 T0330.try3-opt2.pdb.gz costs 66.092 real_cost = 41.646 T0330.try3-opt2.gromacs0.pdb.gz costs 48.078 real_cost = 37.646 T0330.try3-opt1.pdb.gz costs 56.939 real_cost = 41.350 T0330.try3-opt1-scwrl.pdb.gz costs 56.939 real_cost = 43.096 T0330.try2-opt2.repack-nonPC.pdb.gz costs 53.278 real_cost = -14.677 T0330.try2-opt2.pdb.gz costs 53.278 real_cost = -17.340 T0330.try2-opt2.gromacs0.pdb.gz costs 41.780 real_cost = -15.086 T0330.try2-opt1.pdb.gz costs 48.041 real_cost = -14.299 T0330.try2-opt1-scwrl.pdb.gz costs 48.041 real_cost = -15.422 T0330.try13-opt2.repack-nonPC.pdb.gz costs 47.710 real_cost = -55.303 T0330.try13-opt2.pdb.gz costs 47.710 real_cost = -55.388 T0330.try13-opt2.gromacs0.repack-nonPC.pdb.gz costs 37.719 real_cost = -58.522 T0330.try13-opt2.gromacs0.pdb.gz costs 37.719 real_cost = -55.761 T0330.try13-opt1.pdb.gz costs 43.871 real_cost = -57.209 T0330.try13-opt1-scwrl.pdb.gz costs 43.871 real_cost = -59.515 T0330.try12-opt2.repack-nonPC.pdb.gz costs 54.773 real_cost = -17.533 T0330.try12-opt2.pdb.gz costs 54.773 real_cost = -19.485 T0330.try12-opt2.gromacs0.repack-nonPC.pdb.gz costs 45.620 real_cost = -19.723 T0330.try12-opt2.gromacs0.pdb.gz costs 45.620 real_cost = -19.798 T0330.try12-opt1.pdb.gz costs 54.605 real_cost = -18.651 T0330.try12-opt1-scwrl.pdb.gz costs 54.605 real_cost = -20.056 T0330.try11-opt2.repack-nonPC.pdb.gz costs 49.713 real_cost = -15.995 T0330.try11-opt2.pdb.gz costs 49.713 real_cost = -16.499 T0330.try11-opt2.gromacs0.repack-nonPC.pdb.gz costs 46.328 real_cost = -16.180 T0330.try11-opt2.gromacs0.pdb.gz costs 46.328 real_cost = -16.781 T0330.try11-opt1.pdb.gz costs 49.909 real_cost = -17.470 T0330.try11-opt1-scwrl.pdb.gz costs 49.909 real_cost = -14.799 T0330.try10-opt2.repack-nonPC.pdb.gz costs 52.236 real_cost = -16.868 T0330.try10-opt2.pdb.gz costs 52.236 real_cost = -16.406 T0330.try10-opt2.gromacs0.repack-nonPC.pdb.gz costs 45.415 real_cost = -12.734 T0330.try10-opt2.gromacs0.pdb.gz costs 45.415 real_cost = -15.522 T0330.try10-opt1.pdb.gz costs 51.042 real_cost = -13.911 T0330.try10-opt1-scwrl.pdb.gz costs 51.042 real_cost = -16.172 T0330.try1-opt2.repack-nonPC.pdb.gz costs 82.269 real_cost = 60.084 T0330.try1-opt2.pdb.gz costs 82.269 real_cost = 60.652 T0330.try1-opt2.gromacs0.pdb.gz costs 64.464 real_cost = 58.718 T0330.try1-opt1.pdb.gz costs 71.282 real_cost = 66.541 T0330.try1-opt1-scwrl.pdb.gz costs 71.282 real_cost = 62.510 ../model5.ts-submitted costs 63.754 real_cost = 59.539 ../model4.ts-submitted costs 62.941 real_cost = 68.490 ../model3.ts-submitted costs 52.062 real_cost = -16.460 ../model2.ts-submitted costs 54.605 real_cost = -18.672 ../model1.ts-submitted costs 49.713 real_cost = -16.621 align5 costs 55.837 real_cost = 50.921 align4 costs 61.463 real_cost = 95.153 align3 costs 72.408 real_cost = 33.276 align2 costs 67.744 real_cost = 66.744 align1 costs 65.091 real_cost = 52.994 T0330.try1-opt2.pdb costs 82.269 real_cost = 60.651 model5-scwrl costs 63.754 real_cost = 59.539 model4-scwrl costs 62.941 real_cost = 68.490 model3-scwrl costs 52.062 real_cost = -16.460 model2-scwrl costs 54.605 real_cost = -18.672 model1-scwrl costs 49.713 real_cost = -16.613 2hcfA costs 36.311 real_cost = -878.854 # command:CPU_time= 998.564 sec, elapsed time= 1006.731 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/T0330'