make[1]: Entering directory `/projects/compbio/experiments/protein-predict/casp7/T0317' /projects/compbio/experiments/protein-predict/casp7/starter-directory/Make.main:725: SECONDARY_TARGET = T0317.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/T0317.} ;\ 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/T0317/ -e s/START_COL/1/ \ -e s/COSTFCN/anglevector/ \ -e s/_domain// \ -e s/read-pdb/read-pdb+servers/ \ -e s/REAL_PDB/2hcmA/ \ < /projects/compbio/experiments/protein-predict/casp7/starter-directory/evaluate.under \ | nice -2 /cse/grads/jarchie/projects/cvs/karplus/undertaker/undertaker # command:# Seed set to 1183489924 # 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= 6.918 sec, elapsed time= 6.963 sec. # command:# Reading spots from monomeric-50pc-dry-5.spot Read prototypes from /projects/compbio/experiments/undertaker/spots/../normalize_prototypes/prototypes # reading histogram from smoothed-monomeric-50pc-dry-5.hist # created burial cost function dry5 with radius 5.000 with spots at monomeric-50pc-dry-5.spot # command:# Reading spots from monomeric-50pc-wet-6.5.spot Read prototypes from /projects/compbio/experiments/undertaker/spots/../normalize_prototypes/prototypes # reading histogram from smoothed-monomeric-50pc-wet-6.5.hist # created burial cost function wet6.5 with radius 6.500 with spots at monomeric-50pc-wet-6.5.spot # command:# Reading spots from monomeric-50pc-dry-6.5.spot Read prototypes from /projects/compbio/experiments/undertaker/spots/../normalize_prototypes/prototypes # reading histogram from smoothed-monomeric-50pc-dry-6.5.hist # created burial cost function dry6.5 with radius 6.500 with spots at monomeric-50pc-dry-6.5.spot # command:# Reading spots from monomeric-50pc-generic-6.5.spot Read prototypes from /projects/compbio/experiments/undertaker/spots/../normalize_prototypes/prototypes # reading histogram from smoothed-monomeric-50pc-generic-6.5.hist # created burial cost function gen6.5 with radius 6.500 with spots at monomeric-50pc-generic-6.5.spot # command:# Reading spots from near-backbone-center.spot # reading histogram from smoothed-near-backbone-2spot.hist # Reading spots from near-backbone-count.spot # created burial cost function near_backbone with radius 9.650 with spots at near-backbone-center.spot counting only near-backbone-count.spot # command:# Reading spots from way-back-center.spot # reading histogram from smoothed-way-back-2spot.hist # Reading spots from way-back-count.spot # created burial cost function way_back with radius 8.900 with spots at way-back-center.spot counting only way-back-count.spot # command:# Reading spots from monomeric-50pc-dry-8.spot Read prototypes from /projects/compbio/experiments/undertaker/spots/../normalize_prototypes/prototypes # reading histogram from smoothed-monomeric-50pc-dry-8.hist # created burial cost function dry8 with radius 8.000 with spots at monomeric-50pc-dry-8.spot # command:# Reading spots from monomeric-50pc-dry-10.spot Read prototypes from /projects/compbio/experiments/undertaker/spots/../normalize_prototypes/prototypes # reading histogram from smoothed-monomeric-50pc-dry-10.hist # created burial cost function dry10 with radius 10.000 with spots at monomeric-50pc-dry-10.spot # command:# Reading spots from monomeric-50pc-dry-12.spot Read prototypes from /projects/compbio/experiments/undertaker/spots/../normalize_prototypes/prototypes # reading histogram from smoothed-monomeric-50pc-dry-12.hist # created burial cost function dry12 with radius 12.000 with spots at monomeric-50pc-dry-12.spot # command:# reading histogram from dunbrack-2191-alpha.hist # created alpha cost function alpha with offset 0 and 360 bins # command:# reading histogram from dunbrack-2191-alpha-1.hist # created alpha cost function alpha_prev with offset -1 and 360 bins # command:# Prefix for input files set to /projects/compbio/lib/alphabet/ # command:# Read 3 alphabets from alpha.alphabet # command:CPU_time= 7.000 sec, elapsed time= 7.067 sec. # command:# Prefix for input files set to # command:# Making conformation for sequence T0317 numbered 1 through 163 Created new target T0317 from T0317.a2m # command:# command:# No conformations to remove in PopConform # command:# cleared Id set # command:# command:2hcmA expands to /projects/compbio/data/pdb/2hcm.pdb.gz 2hcmA:Skipped atom 315, because occupancy 0.5 <= existing 0.500 in 2hcmA Skipped atom 319, because occupancy 0.500 <= existing 0.500 in 2hcmA Skipped atom 321, because occupancy 0.500 <= existing 0.500 in 2hcmA Skipped atom 323, because occupancy 0.500 <= existing 0.500 in 2hcmA Skipped atom 325, because occupancy 0.500 <= existing 0.500 in 2hcmA Skipped atom 327, because occupancy 0.500 <= existing 0.500 in 2hcmA Skipped atom 329, because occupancy 0.500 <= existing 0.500 in 2hcmA Skipped atom 331, because occupancy 0.500 <= existing 0.500 in 2hcmA Skipped atom 530, because occupancy 0.500 <= existing 0.500 in 2hcmA Skipped atom 534, because occupancy 0.500 <= existing 0.500 in 2hcmA Skipped atom 536, because occupancy 0.500 <= existing 0.500 in 2hcmA Skipped atom 538, because occupancy 0.500 <= existing 0.500 in 2hcmA Skipped atom 665, because occupancy 0.500 <= existing 0.500 in 2hcmA Skipped atom 669, because occupancy 0.500 <= existing 0.500 in 2hcmA Skipped atom 671, because occupancy 0.500 <= existing 0.500 in 2hcmA Skipped atom 944, because occupancy 0.500 <= existing 0.500 in 2hcmA Skipped atom 948, because occupancy 0.500 <= existing 0.500 in 2hcmA Skipped atom 950, because occupancy 0.500 <= existing 0.500 in 2hcmA Skipped atom 952, because occupancy 0.500 <= existing 0.500 in 2hcmA Skipped atom 954, because occupancy 0.500 <= existing 0.500 in 2hcmA Skipped atom 956, because occupancy 0.500 <= existing 0.500 in 2hcmA Skipped atom 1122, because occupancy 0.500 <= existing 0.500 in 2hcmA Skipped atom 1126, because occupancy 0.500 <= existing 0.500 in 2hcmA Skipped atom 1128, because occupancy 0.500 <= existing 0.500 in 2hcmA Skipped atom 1130, because occupancy 0.500 <= existing 0.500 in 2hcmA Skipped atom 1132, because occupancy 0.500 <= existing 0.500 in 2hcmA Skipped atom 1134, because occupancy 0.500 <= existing 0.500 in 2hcmA Skipped atom 1137, because occupancy 0.500 <= existing 0.500 in 2hcmA Skipped atom 1141, because occupancy 0.500 <= existing 0.500 in 2hcmA Skipped atom 1143, because occupancy 0.500 <= existing 0.500 in 2hcmA Skipped atom 1145, because occupancy 0.500 <= existing 0.500 in 2hcmA Read 159 residues and 1193 atoms. # WARNING: incomplete conformation T0317 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= 9.935 sec, elapsed time= 10.080 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 158 # 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 = -82.962 # GDT_score(maxd=8.000,maxw=2.900)= -85.422 # GDT_score(maxd=8.000,maxw=3.200)= -83.269 # GDT_score(maxd=8.000,maxw=3.500)= -80.534 # GDT_score(maxd=10.000,maxw=3.800)= -82.039 # GDT_score(maxd=10.000,maxw=4.000)= -80.097 # GDT_score(maxd=10.000,maxw=4.200)= -78.083 # GDT_score(maxd=12.000,maxw=4.300)= -80.814 # GDT_score(maxd=12.000,maxw=4.500)= -78.853 # GDT_score(maxd=12.000,maxw=4.700)= -76.789 # GDT_score(maxd=14.000,maxw=5.200)= -74.952 # GDT_score(maxd=14.000,maxw=5.500)= -71.983 # command:# Prefix for output files set to # command:Warning: Couldn't open file T0317.model1-real.pdb for output Error: Couldn't open file T0317.model1-real.pdb for output superimposing iter= 0 total_weight= 1807.000 rmsd (weighted)= 4.591 (unweighted)= 16.160 superimposing iter= 1 total_weight= 6595.680 rmsd (weighted)= 1.463 (unweighted)= 16.010 superimposing iter= 2 total_weight= 3343.934 rmsd (weighted)= 0.805 (unweighted)= 15.985 superimposing iter= 3 total_weight= 1984.206 rmsd (weighted)= 0.604 (unweighted)= 15.975 superimposing iter= 4 total_weight= 1478.409 rmsd (weighted)= 0.531 (unweighted)= 15.968 superimposing iter= 5 total_weight= 1303.060 rmsd (weighted)= 0.499 (unweighted)= 15.964 EXPDTA model1.ts-submitted MODEL 1 REMARK 44 REMARK 44 model 1 is called model1.ts-submitted ATOM 1 N MET A 1 12.742 24.032 1.894 1.00 0.00 ATOM 2 CA MET A 1 13.199 23.857 0.507 1.00 0.00 ATOM 3 CB MET A 1 12.384 22.760 -0.148 1.00 0.00 ATOM 4 CG MET A 1 12.551 21.375 0.498 1.00 0.00 ATOM 5 SD MET A 1 11.630 20.153 -0.379 1.00 0.00 ATOM 6 CE MET A 1 12.714 19.734 -1.675 1.00 0.00 ATOM 7 O MET A 1 13.879 25.394 -1.253 1.00 0.00 ATOM 8 C MET A 1 13.174 25.177 -0.255 1.00 0.00 ATOM 9 N GLY A 2 12.345 26.165 0.243 1.00 0.00 ATOM 10 CA GLY A 2 12.312 27.450 -0.492 1.00 0.00 ATOM 11 O GLY A 2 14.142 28.657 -1.448 1.00 0.00 ATOM 12 C GLY A 2 13.686 28.125 -0.446 1.00 0.00 ATOM 13 N THR A 3 14.350 28.070 0.710 1.00 0.00 ATOM 14 CA THR A 3 15.666 28.687 0.840 1.00 0.00 ATOM 15 CB THR A 3 16.123 28.688 2.285 1.00 0.00 ATOM 16 CG2 THR A 3 17.477 29.354 2.474 1.00 0.00 ATOM 17 OG1 THR A 3 15.130 29.385 3.096 1.00 0.00 ATOM 18 O THR A 3 17.563 28.634 -0.566 1.00 0.00 ATOM 19 C THR A 3 16.682 27.989 -0.037 1.00 0.00 ATOM 20 N SER A 4 16.607 26.580 -0.224 1.00 0.00 ATOM 21 CA SER A 4 17.505 25.818 -1.083 1.00 0.00 ATOM 22 CB SER A 4 17.267 24.332 -0.923 1.00 0.00 ATOM 23 OG SER A 4 18.011 23.595 -1.887 1.00 0.00 ATOM 24 O SER A 4 18.262 26.563 -3.265 1.00 0.00 ATOM 25 C SER A 4 17.302 26.267 -2.542 1.00 0.00 ATOM 26 N GLU A 5 16.061 26.350 -2.982 1.00 0.00 ATOM 27 CA GLU A 5 15.768 26.771 -4.372 1.00 0.00 ATOM 28 CB GLU A 5 14.294 26.579 -4.708 1.00 0.00 ATOM 29 CG GLU A 5 13.911 25.122 -4.836 1.00 0.00 ATOM 30 CD GLU A 5 12.456 24.918 -5.238 1.00 0.00 ATOM 31 OE1 GLU A 5 11.645 25.881 -5.174 1.00 0.00 ATOM 32 OE2 GLU A 5 12.130 23.781 -5.620 1.00 0.00 ATOM 33 O GLU A 5 16.657 28.634 -5.596 1.00 0.00 ATOM 34 C GLU A 5 16.157 28.242 -4.539 1.00 0.00 ATOM 35 N ALA A 6 15.936 29.054 -3.498 1.00 0.00 ATOM 36 CA ALA A 6 16.322 30.468 -3.562 1.00 0.00 ATOM 37 CB ALA A 6 15.800 31.266 -2.356 1.00 0.00 ATOM 38 O ALA A 6 18.375 31.274 -4.506 1.00 0.00 ATOM 39 C ALA A 6 17.844 30.538 -3.672 1.00 0.00 ATOM 40 N ALA A 7 18.567 29.820 -2.866 1.00 0.00 ATOM 41 CA ALA A 7 20.030 29.820 -2.851 1.00 0.00 ATOM 42 CB ALA A 7 20.548 29.044 -1.671 1.00 0.00 ATOM 43 O ALA A 7 19.721 28.145 -4.545 1.00 0.00 ATOM 44 C ALA A 7 20.474 28.985 -4.044 1.00 0.00 ATOM 45 N PRO A 8 21.713 29.180 -4.474 1.00 0.00 ATOM 46 CA PRO A 8 22.264 28.454 -5.623 1.00 0.00 ATOM 47 CB PRO A 8 23.695 28.960 -5.820 1.00 0.00 ATOM 48 CG PRO A 8 23.699 30.233 -4.994 1.00 0.00 ATOM 49 CD PRO A 8 22.705 30.037 -3.840 1.00 0.00 ATOM 50 O PRO A 8 22.392 26.562 -4.209 1.00 0.00 ATOM 51 C PRO A 8 22.148 26.955 -5.332 1.00 0.00 ATOM 52 N PRO A 9 21.731 26.126 -6.262 1.00 0.00 ATOM 53 CA PRO A 9 21.708 24.688 -5.994 1.00 0.00 ATOM 54 CB PRO A 9 21.136 24.056 -7.275 1.00 0.00 ATOM 55 CG PRO A 9 20.938 25.175 -8.235 1.00 0.00 ATOM 56 CD PRO A 9 21.122 26.476 -7.556 1.00 0.00 ATOM 57 O PRO A 9 23.275 23.823 -4.454 1.00 0.00 ATOM 58 C PRO A 9 23.108 24.289 -5.572 1.00 0.00 ATOM 59 N PRO A 10 24.125 24.389 -6.204 1.00 0.00 ATOM 60 CA PRO A 10 25.459 23.986 -5.756 1.00 0.00 ATOM 61 CB PRO A 10 26.300 24.083 -7.047 1.00 0.00 ATOM 62 CG PRO A 10 25.607 25.107 -7.817 1.00 0.00 ATOM 63 CD PRO A 10 24.156 24.820 -7.583 1.00 0.00 ATOM 64 O PRO A 10 25.961 25.972 -4.471 1.00 0.00 ATOM 65 C PRO A 10 26.228 24.815 -4.740 1.00 0.00 ATOM 66 N PHE A 11 27.392 24.102 -4.417 1.00 0.00 ATOM 67 CA PHE A 11 28.421 24.747 -3.619 1.00 0.00 ATOM 68 CB PHE A 11 29.412 23.688 -3.001 1.00 0.00 ATOM 69 CG PHE A 11 30.334 23.117 -4.037 1.00 0.00 ATOM 70 CD1 PHE A 11 31.558 23.712 -4.327 1.00 0.00 ATOM 71 CD2 PHE A 11 29.963 21.958 -4.712 1.00 0.00 ATOM 72 CE1 PHE A 11 32.386 23.156 -5.282 1.00 0.00 ATOM 73 CE2 PHE A 11 30.807 21.388 -5.651 1.00 0.00 ATOM 74 CZ PHE A 11 32.002 22.013 -5.951 1.00 0.00 ATOM 75 O PHE A 11 29.332 25.914 -5.497 1.00 0.00 ATOM 76 C PHE A 11 29.035 25.957 -4.306 1.00 0.00 ATOM 77 N ALA A 12 29.229 27.028 -3.539 1.00 0.00 ATOM 78 CA ALA A 12 29.791 28.246 -4.092 1.00 0.00 ATOM 79 CB ALA A 12 28.901 29.446 -3.808 1.00 0.00 ATOM 80 O ALA A 12 31.327 28.338 -2.254 1.00 0.00 ATOM 81 C ALA A 12 31.155 28.489 -3.465 1.00 0.00 ATOM 82 N ARG A 13 32.138 28.800 -4.308 1.00 0.00 ATOM 83 CA ARG A 13 33.494 29.069 -3.850 1.00 0.00 ATOM 84 CB ARG A 13 34.425 28.930 -5.025 1.00 0.00 ATOM 85 CG ARG A 13 35.926 29.049 -4.737 1.00 0.00 ATOM 86 CD ARG A 13 36.764 28.393 -5.764 1.00 0.00 ATOM 87 NE ARG A 13 38.207 28.637 -5.770 1.00 0.00 ATOM 88 CZ ARG A 13 39.097 27.898 -5.146 1.00 0.00 ATOM 89 NH1 ARG A 13 38.730 26.902 -4.355 1.00 0.00 ATOM 90 NH2 ARG A 13 40.376 28.158 -5.332 1.00 0.00 ATOM 91 O ARG A 13 33.214 31.456 -3.732 1.00 0.00 ATOM 92 C ARG A 13 33.558 30.424 -3.148 1.00 0.00 ATOM 93 N VAL A 14 33.963 30.404 -1.879 1.00 0.00 ATOM 94 CA VAL A 14 34.048 31.628 -1.097 1.00 0.00 ATOM 95 CB VAL A 14 33.591 31.354 0.349 1.00 0.00 ATOM 96 CG1 VAL A 14 33.802 32.586 1.215 1.00 0.00 ATOM 97 CG2 VAL A 14 32.117 30.986 0.382 1.00 0.00 ATOM 98 O VAL A 14 35.697 33.382 -1.194 1.00 0.00 ATOM 99 C VAL A 14 35.483 32.166 -1.149 1.00 0.00 ATOM 100 N ALA A 15 36.421 31.255 -1.044 1.00 0.00 ATOM 101 CA ALA A 15 37.832 31.619 -1.103 1.00 0.00 ATOM 102 CB ALA A 15 38.230 32.016 0.310 1.00 0.00 ATOM 103 O ALA A 15 37.933 29.304 -1.701 1.00 0.00 ATOM 104 C ALA A 15 38.542 30.373 -1.619 1.00 0.00 ATOM 105 N PRO A 16 39.805 30.506 -2.044 1.00 0.00 ATOM 106 CA PRO A 16 40.526 29.324 -2.535 1.00 0.00 ATOM 107 CB PRO A 16 41.921 29.860 -2.860 1.00 0.00 ATOM 108 CG PRO A 16 41.693 31.278 -3.263 1.00 0.00 ATOM 109 CD PRO A 16 40.614 31.800 -2.357 1.00 0.00 ATOM 110 O PRO A 16 40.922 28.674 -0.252 1.00 0.00 ATOM 111 C PRO A 16 40.527 28.327 -1.368 1.00 0.00 ATOM 112 N ALA A 17 40.046 27.027 -1.629 1.00 0.00 ATOM 113 CA ALA A 17 39.974 25.999 -0.606 1.00 0.00 ATOM 114 CB ALA A 17 41.218 26.037 0.270 1.00 0.00 ATOM 115 O ALA A 17 38.624 25.168 1.183 1.00 0.00 ATOM 116 C ALA A 17 38.769 26.049 0.328 1.00 0.00 ATOM 117 N LEU A 18 37.885 27.033 0.164 1.00 0.00 ATOM 118 CA LEU A 18 36.700 27.147 1.030 1.00 0.00 ATOM 119 CB LEU A 18 36.871 28.362 1.943 1.00 0.00 ATOM 120 CG LEU A 18 35.706 28.673 2.883 1.00 0.00 ATOM 121 CD1 LEU A 18 35.536 27.570 3.915 1.00 0.00 ATOM 122 CD2 LEU A 18 35.943 29.983 3.621 1.00 0.00 ATOM 123 O LEU A 18 35.251 28.244 -0.543 1.00 0.00 ATOM 124 C LEU A 18 35.373 27.351 0.296 1.00 0.00 ATOM 125 N PHE A 19 34.368 26.542 0.625 1.00 0.00 ATOM 126 CA PHE A 19 33.066 26.652 -0.030 1.00 0.00 ATOM 127 CB PHE A 19 32.884 25.447 -1.038 1.00 0.00 ATOM 128 CG PHE A 19 33.949 25.260 -2.097 1.00 0.00 ATOM 129 CD1 PHE A 19 33.837 25.876 -3.338 1.00 0.00 ATOM 130 CD2 PHE A 19 35.067 24.458 -1.860 1.00 0.00 ATOM 131 CE1 PHE A 19 34.827 25.729 -4.307 1.00 0.00 ATOM 132 CE2 PHE A 19 36.049 24.247 -2.833 1.00 0.00 ATOM 133 CZ PHE A 19 35.909 24.888 -4.064 1.00 0.00 ATOM 134 O PHE A 19 31.923 26.179 2.038 1.00 0.00 ATOM 135 C PHE A 19 31.862 26.664 0.904 1.00 0.00 ATOM 136 N ILE A 20 30.761 27.215 0.393 1.00 0.00 ATOM 137 CA ILE A 20 29.498 27.299 1.117 1.00 0.00 ATOM 138 CB ILE A 20 28.986 28.766 1.261 1.00 0.00 ATOM 139 CG1 ILE A 20 29.935 29.554 2.213 1.00 0.00 ATOM 140 CG2 ILE A 20 27.547 28.794 1.847 1.00 0.00 ATOM 141 CD1 ILE A 20 29.674 31.088 2.185 1.00 0.00 ATOM 142 O ILE A 20 28.311 26.662 -0.861 1.00 0.00 ATOM 143 C ILE A 20 28.427 26.532 0.359 1.00 0.00 ATOM 144 N GLY A 21 27.659 25.742 1.052 1.00 0.00 ATOM 145 CA GLY A 21 26.609 24.975 0.407 1.00 0.00 ATOM 146 O GLY A 21 25.487 24.734 2.512 1.00 0.00 ATOM 147 C GLY A 21 25.464 24.535 1.300 1.00 0.00 ATOM 148 N ASN A 22 24.457 23.933 0.679 1.00 0.00 ATOM 149 CA ASN A 22 23.278 23.443 1.369 1.00 0.00 ATOM 150 CB ASN A 22 22.030 23.848 0.581 1.00 0.00 ATOM 151 CG ASN A 22 21.940 23.154 -0.763 1.00 0.00 ATOM 152 ND2 ASN A 22 21.008 23.602 -1.598 1.00 0.00 ATOM 153 OD1 ASN A 22 22.695 22.224 -1.045 1.00 0.00 ATOM 154 O ASN A 22 24.326 21.295 1.258 1.00 0.00 ATOM 155 C ASN A 22 23.323 21.923 1.560 1.00 0.00 ATOM 156 N ALA A 23 22.280 21.319 2.036 1.00 0.00 ATOM 157 CA ALA A 23 22.243 19.885 2.299 1.00 0.00 ATOM 158 CB ALA A 23 20.923 19.498 2.950 1.00 0.00 ATOM 159 O ALA A 23 22.992 18.022 1.009 1.00 0.00 ATOM 160 C ALA A 23 22.391 19.100 1.008 1.00 0.00 ATOM 161 N ARG A 24 21.887 19.656 -0.103 1.00 0.00 ATOM 162 CA ARG A 24 22.000 18.959 -1.383 1.00 0.00 ATOM 163 CB ARG A 24 21.129 19.660 -2.427 1.00 0.00 ATOM 164 CG ARG A 24 19.634 19.496 -2.201 1.00 0.00 ATOM 165 CD ARG A 24 18.831 20.282 -3.225 1.00 0.00 ATOM 166 NE ARG A 24 17.392 20.138 -3.019 1.00 0.00 ATOM 167 CZ ARG A 24 16.469 20.780 -3.725 1.00 0.00 ATOM 168 NH1 ARG A 24 15.181 20.588 -3.466 1.00 0.00 ATOM 169 NH2 ARG A 24 16.832 21.615 -4.689 1.00 0.00 ATOM 170 O ARG A 24 23.914 17.891 -2.356 1.00 0.00 ATOM 171 C ARG A 24 23.441 18.929 -1.897 1.00 0.00 ATOM 172 N ALA A 25 24.139 20.056 -1.813 1.00 0.00 ATOM 173 CA ALA A 25 25.531 20.108 -2.262 1.00 0.00 ATOM 174 CB ALA A 25 26.065 21.527 -2.168 1.00 0.00 ATOM 175 O ALA A 25 27.309 18.505 -1.968 1.00 0.00 ATOM 176 C ALA A 25 26.401 19.155 -1.431 1.00 0.00 ATOM 177 N ALA A 26 26.081 19.063 -0.137 1.00 0.00 ATOM 178 CA ALA A 26 26.826 18.205 0.781 1.00 0.00 ATOM 179 CB ALA A 26 26.240 18.312 2.180 1.00 0.00 ATOM 180 O ALA A 26 27.646 15.951 0.814 1.00 0.00 ATOM 181 C ALA A 26 26.784 16.727 0.406 1.00 0.00 ATOM 182 N GLY A 27 25.775 16.299 -0.386 1.00 0.00 ATOM 183 CA GLY A 27 25.665 14.914 -0.803 1.00 0.00 ATOM 184 O GLY A 27 25.955 13.608 -2.784 1.00 0.00 ATOM 185 C GLY A 27 25.960 14.729 -2.281 1.00 0.00 ATOM 186 N ALA A 28 26.200 15.830 -2.976 1.00 0.00 ATOM 187 CA ALA A 28 26.477 15.784 -4.406 1.00 0.00 ATOM 188 CB ALA A 28 26.342 17.169 -5.020 1.00 0.00 ATOM 189 O ALA A 28 28.867 16.049 -4.623 1.00 0.00 ATOM 190 C ALA A 28 27.906 15.278 -4.656 1.00 0.00 ATOM 191 N THR A 29 28.026 13.979 -4.918 1.00 0.00 ATOM 192 CA THR A 29 29.319 13.343 -5.172 1.00 0.00 ATOM 193 CB THR A 29 29.154 11.846 -5.507 1.00 0.00 ATOM 194 CG2 THR A 29 30.504 11.219 -5.817 1.00 0.00 ATOM 195 OG1 THR A 29 28.572 11.166 -4.387 1.00 0.00 ATOM 196 O THR A 29 31.260 14.105 -6.346 1.00 0.00 ATOM 197 C THR A 29 30.040 13.991 -6.344 1.00 0.00 ATOM 198 N GLU A 30 29.276 14.388 -7.352 1.00 0.00 ATOM 199 CA GLU A 30 29.853 15.022 -8.518 1.00 0.00 ATOM 200 CB GLU A 30 28.777 15.280 -9.575 1.00 0.00 ATOM 201 CG GLU A 30 28.235 14.020 -10.229 1.00 0.00 ATOM 202 CD GLU A 30 27.088 14.305 -11.179 1.00 0.00 ATOM 203 OE1 GLU A 30 26.669 15.477 -11.270 1.00 0.00 ATOM 204 OE2 GLU A 30 26.606 13.354 -11.831 1.00 0.00 ATOM 205 O GLU A 30 31.644 16.628 -8.463 1.00 0.00 ATOM 206 C GLU A 30 30.501 16.341 -8.102 1.00 0.00 ATOM 207 N LEU A 31 29.764 17.139 -7.332 1.00 0.00 ATOM 208 CA LEU A 31 30.272 18.421 -6.861 1.00 0.00 ATOM 209 CB LEU A 31 29.140 19.226 -6.186 1.00 0.00 ATOM 210 CG LEU A 31 28.077 19.818 -7.101 1.00 0.00 ATOM 211 CD1 LEU A 31 26.925 20.360 -6.289 1.00 0.00 ATOM 212 CD2 LEU A 31 28.679 20.919 -7.992 1.00 0.00 ATOM 213 O LEU A 31 32.438 18.912 -6.026 1.00 0.00 ATOM 214 C LEU A 31 31.460 18.207 -5.933 1.00 0.00 ATOM 215 N LEU A 32 31.349 17.219 -5.063 1.00 0.00 ATOM 216 CA LEU A 32 32.416 16.931 -4.112 1.00 0.00 ATOM 217 CB LEU A 32 32.009 15.755 -3.222 1.00 0.00 ATOM 218 CG LEU A 32 30.905 16.029 -2.198 1.00 0.00 ATOM 219 CD1 LEU A 32 30.477 14.742 -1.513 1.00 0.00 ATOM 220 CD2 LEU A 32 31.389 16.998 -1.131 1.00 0.00 ATOM 221 O LEU A 32 34.776 17.096 -4.530 1.00 0.00 ATOM 222 C LEU A 32 33.696 16.571 -4.846 1.00 0.00 ATOM 223 N VAL A 33 33.639 15.648 -5.757 1.00 0.00 ATOM 224 CA VAL A 33 34.818 15.224 -6.484 1.00 0.00 ATOM 225 CB VAL A 33 34.494 14.044 -7.419 1.00 0.00 ATOM 226 CG1 VAL A 33 35.700 13.702 -8.281 1.00 0.00 ATOM 227 CG2 VAL A 33 34.118 12.812 -6.609 1.00 0.00 ATOM 228 O VAL A 33 36.538 16.579 -7.412 1.00 0.00 ATOM 229 C VAL A 33 35.343 16.345 -7.363 1.00 0.00 ATOM 230 N ARG A 34 34.434 17.025 -8.038 1.00 0.00 ATOM 231 CA ARG A 34 34.830 18.110 -8.931 1.00 0.00 ATOM 232 CB ARG A 34 33.541 18.690 -9.569 1.00 0.00 ATOM 233 CG ARG A 34 33.778 19.713 -10.661 1.00 0.00 ATOM 234 CD ARG A 34 32.459 20.174 -11.274 1.00 0.00 ATOM 235 NE ARG A 34 31.770 19.107 -12.002 1.00 0.00 ATOM 236 CZ ARG A 34 30.530 18.690 -11.754 1.00 0.00 ATOM 237 NH1 ARG A 34 29.800 19.244 -10.788 1.00 0.00 ATOM 238 NH2 ARG A 34 30.026 17.682 -12.452 1.00 0.00 ATOM 239 O ARG A 34 36.586 19.718 -8.667 1.00 0.00 ATOM 240 C ARG A 34 35.605 19.133 -8.131 1.00 0.00 ATOM 241 N ALA A 35 35.218 19.430 -6.944 1.00 0.00 ATOM 242 CA ALA A 35 35.905 20.428 -6.101 1.00 0.00 ATOM 243 CB ALA A 35 34.911 20.968 -5.017 1.00 0.00 ATOM 244 O ALA A 35 37.885 20.630 -4.726 1.00 0.00 ATOM 245 C ALA A 35 37.093 19.861 -5.321 1.00 0.00 ATOM 246 N GLY A 36 37.173 18.521 -5.245 1.00 0.00 ATOM 247 CA GLY A 36 38.210 17.851 -4.462 1.00 0.00 ATOM 248 O GLY A 36 38.986 18.359 -2.242 1.00 0.00 ATOM 249 C GLY A 36 38.016 18.148 -2.975 1.00 0.00 ATOM 250 N ILE A 37 36.762 18.181 -2.534 1.00 0.00 ATOM 251 CA ILE A 37 36.454 18.446 -1.133 1.00 0.00 ATOM 252 CB ILE A 37 34.935 18.528 -0.894 1.00 0.00 ATOM 253 CG1 ILE A 37 34.342 19.726 -1.639 1.00 0.00 ATOM 254 CG2 ILE A 37 34.635 18.685 0.588 1.00 0.00 ATOM 255 CD1 ILE A 37 32.829 19.758 -1.640 1.00 0.00 ATOM 256 O ILE A 37 36.715 16.161 -0.456 1.00 0.00 ATOM 257 C ILE A 37 37.021 17.336 -0.255 1.00 0.00 ATOM 258 N THR A 38 37.847 17.712 0.720 1.00 0.00 ATOM 259 CA THR A 38 38.452 16.736 1.631 1.00 0.00 ATOM 260 CB THR A 38 39.987 16.849 1.660 1.00 0.00 ATOM 261 CG2 THR A 38 40.566 16.615 0.272 1.00 0.00 ATOM 262 OG1 THR A 38 40.364 18.158 2.105 1.00 0.00 ATOM 263 O THR A 38 37.936 15.972 3.844 1.00 0.00 ATOM 264 C THR A 38 37.901 16.903 3.039 1.00 0.00 ATOM 265 N LEU A 39 37.385 18.091 3.330 1.00 0.00 ATOM 266 CA LEU A 39 36.837 18.381 4.649 1.00 0.00 ATOM 267 CB LEU A 39 37.788 19.332 5.375 1.00 0.00 ATOM 268 CG LEU A 39 37.341 19.818 6.754 1.00 0.00 ATOM 269 CD1 LEU A 39 37.361 18.676 7.759 1.00 0.00 ATOM 270 CD2 LEU A 39 38.263 20.916 7.264 1.00 0.00 ATOM 271 O LEU A 39 35.143 19.804 3.718 1.00 0.00 ATOM 272 C LEU A 39 35.455 19.021 4.615 1.00 0.00 ATOM 273 N CYS A 40 34.613 18.662 5.574 1.00 0.00 ATOM 274 CA CYS A 40 33.317 19.303 5.633 1.00 0.00 ATOM 275 CB CYS A 40 32.303 18.308 5.061 1.00 0.00 ATOM 276 SG CYS A 40 32.531 17.939 3.306 1.00 0.00 ATOM 277 O CYS A 40 33.244 18.853 7.987 1.00 0.00 ATOM 278 C CYS A 40 32.934 19.610 7.063 1.00 0.00 ATOM 279 N VAL A 41 32.236 20.719 7.236 1.00 0.00 ATOM 280 CA VAL A 41 31.744 21.098 8.539 1.00 0.00 ATOM 281 CB VAL A 41 32.209 22.514 8.926 1.00 0.00 ATOM 282 CG1 VAL A 41 31.647 22.904 10.284 1.00 0.00 ATOM 283 CG2 VAL A 41 33.726 22.577 8.996 1.00 0.00 ATOM 284 O VAL A 41 29.658 21.921 7.687 1.00 0.00 ATOM 285 C VAL A 41 30.216 21.088 8.403 1.00 0.00 ATOM 286 N ASN A 42 29.613 20.161 9.075 1.00 0.00 ATOM 287 CA ASN A 42 28.152 20.009 9.021 1.00 0.00 ATOM 288 CB ASN A 42 27.879 18.483 9.015 1.00 0.00 ATOM 289 CG ASN A 42 26.390 18.111 9.023 1.00 0.00 ATOM 290 ND2 ASN A 42 26.127 16.801 8.896 1.00 0.00 ATOM 291 OD1 ASN A 42 25.516 18.993 9.149 1.00 0.00 ATOM 292 O ASN A 42 27.514 20.427 11.244 1.00 0.00 ATOM 293 C ASN A 42 27.425 20.778 10.078 1.00 0.00 ATOM 294 N VAL A 43 26.678 21.792 9.707 1.00 0.00 ATOM 295 CA VAL A 43 25.980 22.591 10.730 1.00 0.00 ATOM 296 CB VAL A 43 27.014 24.020 10.570 1.00 0.00 ATOM 297 CG1 VAL A 43 28.473 23.711 10.057 1.00 0.00 ATOM 298 CG2 VAL A 43 26.215 24.821 9.493 1.00 0.00 ATOM 299 O VAL A 43 23.691 23.247 11.154 1.00 0.00 ATOM 300 C VAL A 43 24.427 22.465 10.635 1.00 0.00 ATOM 301 N SER A 44 23.957 21.301 9.998 1.00 0.00 ATOM 302 CA SER A 44 22.561 20.978 9.945 1.00 0.00 ATOM 303 CB SER A 44 22.372 19.711 9.135 1.00 0.00 ATOM 304 OG SER A 44 21.051 19.214 9.228 1.00 0.00 ATOM 305 O SER A 44 22.895 20.103 12.156 1.00 0.00 ATOM 306 C SER A 44 22.186 20.780 11.406 1.00 0.00 ATOM 307 N ARG A 45 21.057 21.356 11.803 1.00 0.00 ATOM 308 CA ARG A 45 20.585 21.232 13.173 1.00 0.00 ATOM 309 CB ARG A 45 19.407 22.162 13.470 1.00 0.00 ATOM 310 CG ARG A 45 18.127 21.794 12.736 1.00 0.00 ATOM 311 CD ARG A 45 17.045 22.839 12.955 1.00 0.00 ATOM 312 NE ARG A 45 15.798 22.485 12.281 1.00 0.00 ATOM 313 CZ ARG A 45 15.557 22.710 10.994 1.00 0.00 ATOM 314 NH1 ARG A 45 14.391 22.354 10.467 1.00 0.00 ATOM 315 NH2 ARG A 45 16.477 23.289 10.238 1.00 0.00 ATOM 316 O ARG A 45 19.641 19.058 12.756 1.00 0.00 ATOM 317 C ARG A 45 20.031 19.871 13.595 1.00 0.00 ATOM 318 N GLN A 46 20.097 19.628 14.930 1.00 0.00 ATOM 319 CA GLN A 46 19.576 18.399 15.525 1.00 0.00 ATOM 320 CB GLN A 46 18.091 18.312 15.574 1.00 0.00 ATOM 321 CG GLN A 46 17.333 19.036 14.487 1.00 0.00 ATOM 322 CD GLN A 46 15.837 18.869 14.628 1.00 0.00 ATOM 323 OE1 GLN A 46 15.298 17.788 14.382 1.00 0.00 ATOM 324 NE2 GLN A 46 15.154 19.933 15.038 1.00 0.00 ATOM 325 O GLN A 46 19.471 16.256 14.421 1.00 0.00 ATOM 326 C GLN A 46 20.179 17.156 14.874 1.00 0.00 ATOM 327 N GLN A 47 21.633 17.092 14.903 1.00 0.00 ATOM 328 CA GLN A 47 22.394 15.972 14.346 1.00 0.00 ATOM 329 CB GLN A 47 22.948 16.111 12.920 1.00 0.00 ATOM 330 CG GLN A 47 21.927 16.389 11.837 1.00 0.00 ATOM 331 CD GLN A 47 22.565 16.463 10.460 1.00 0.00 ATOM 332 OE1 GLN A 47 21.917 16.826 9.479 1.00 0.00 ATOM 333 NE2 GLN A 47 23.845 16.115 10.382 1.00 0.00 ATOM 334 O GLN A 47 22.270 14.734 16.391 1.00 0.00 ATOM 335 C GLN A 47 22.788 14.822 15.278 1.00 0.00 ATOM 336 N PRO A 48 23.724 14.027 14.673 1.00 0.00 ATOM 337 CA PRO A 48 24.442 13.933 13.397 1.00 0.00 ATOM 338 CB PRO A 48 25.459 12.801 13.721 1.00 0.00 ATOM 339 CG PRO A 48 25.587 12.909 15.205 1.00 0.00 ATOM 340 CD PRO A 48 24.159 13.072 15.615 1.00 0.00 ATOM 341 O PRO A 48 22.759 13.104 11.896 1.00 0.00 ATOM 342 C PRO A 48 23.919 13.465 12.046 1.00 0.00 ATOM 343 N GLY A 49 24.891 13.418 11.024 1.00 0.00 ATOM 344 CA GLY A 49 24.557 12.946 9.696 1.00 0.00 ATOM 345 O GLY A 49 26.806 12.149 9.468 1.00 0.00 ATOM 346 C GLY A 49 25.620 11.992 9.170 1.00 0.00 ATOM 347 N PRO A 50 25.211 10.985 8.381 1.00 0.00 ATOM 348 CA PRO A 50 26.180 10.030 7.834 1.00 0.00 ATOM 349 CB PRO A 50 25.374 9.224 6.815 1.00 0.00 ATOM 350 CG PRO A 50 23.968 9.297 7.306 1.00 0.00 ATOM 351 CD PRO A 50 23.789 10.687 7.849 1.00 0.00 ATOM 352 O PRO A 50 27.115 11.703 6.398 1.00 0.00 ATOM 353 C PRO A 50 27.338 10.785 7.185 1.00 0.00 ATOM 354 N ARG A 51 28.568 10.407 7.518 1.00 0.00 ATOM 355 CA ARG A 51 29.737 11.079 6.966 1.00 0.00 ATOM 356 CB ARG A 51 30.882 11.176 7.931 1.00 0.00 ATOM 357 CG ARG A 51 31.031 10.031 8.864 1.00 0.00 ATOM 358 CD ARG A 51 31.972 10.326 10.052 1.00 0.00 ATOM 359 NE ARG A 51 33.290 10.818 9.620 1.00 0.00 ATOM 360 CZ ARG A 51 34.271 11.193 10.439 1.00 0.00 ATOM 361 NH1 ARG A 51 34.103 11.144 11.762 1.00 0.00 ATOM 362 NH2 ARG A 51 35.418 11.624 9.939 1.00 0.00 ATOM 363 O ARG A 51 30.528 9.107 5.868 1.00 0.00 ATOM 364 C ARG A 51 30.164 10.268 5.747 1.00 0.00 ATOM 365 N ALA A 52 30.028 10.904 4.508 1.00 0.00 ATOM 366 CA ALA A 52 30.219 10.154 3.311 1.00 0.00 ATOM 367 CB ALA A 52 30.100 11.110 2.165 1.00 0.00 ATOM 368 O ALA A 52 32.419 10.331 4.252 1.00 0.00 ATOM 369 C ALA A 52 31.662 9.704 3.515 1.00 0.00 ATOM 370 N PRO A 53 32.037 8.616 2.851 1.00 0.00 ATOM 371 CA PRO A 53 33.388 8.082 2.973 1.00 0.00 ATOM 372 CB PRO A 53 33.322 6.733 2.253 1.00 0.00 ATOM 373 CG PRO A 53 32.208 6.887 1.272 1.00 0.00 ATOM 374 CD PRO A 53 31.189 7.770 1.935 1.00 0.00 ATOM 375 O PRO A 53 34.155 9.648 1.325 1.00 0.00 ATOM 376 C PRO A 53 34.428 8.967 2.315 1.00 0.00 ATOM 377 N GLY A 54 35.631 8.939 2.880 1.00 0.00 ATOM 378 CA GLY A 54 36.755 9.696 2.358 1.00 0.00 ATOM 379 O GLY A 54 37.350 11.977 1.999 1.00 0.00 ATOM 380 C GLY A 54 36.677 11.176 2.646 1.00 0.00 ATOM 381 N VAL A 55 35.848 11.586 3.606 1.00 0.00 ATOM 382 CA VAL A 55 35.708 12.992 3.935 1.00 0.00 ATOM 383 CB VAL A 55 34.417 13.591 3.290 1.00 0.00 ATOM 384 CG1 VAL A 55 33.129 12.986 3.862 1.00 0.00 ATOM 385 CG2 VAL A 55 34.381 15.102 3.487 1.00 0.00 ATOM 386 O VAL A 55 35.209 12.356 6.196 1.00 0.00 ATOM 387 C VAL A 55 35.787 13.141 5.450 1.00 0.00 ATOM 388 N ALA A 56 36.508 14.155 5.903 1.00 0.00 ATOM 389 CA ALA A 56 36.648 14.392 7.331 1.00 0.00 ATOM 390 CB ALA A 56 38.035 14.927 7.647 1.00 0.00 ATOM 391 O ALA A 56 35.480 16.481 7.180 1.00 0.00 ATOM 392 C ALA A 56 35.547 15.377 7.714 1.00 0.00 ATOM 393 N GLU A 57 34.732 15.017 8.666 1.00 0.00 ATOM 394 CA GLU A 57 33.599 15.834 9.088 1.00 0.00 ATOM 395 CB GLU A 57 32.321 14.930 9.026 1.00 0.00 ATOM 396 CG GLU A 57 31.034 15.686 9.371 1.00 0.00 ATOM 397 CD GLU A 57 29.787 14.841 9.377 1.00 0.00 ATOM 398 OE1 GLU A 57 29.847 13.639 9.054 1.00 0.00 ATOM 399 OE2 GLU A 57 28.686 15.358 9.721 1.00 0.00 ATOM 400 O GLU A 57 34.190 15.771 11.403 1.00 0.00 ATOM 401 C GLU A 57 33.746 16.437 10.465 1.00 0.00 ATOM 402 N LEU A 58 33.386 17.727 10.567 1.00 0.00 ATOM 403 CA LEU A 58 33.185 18.335 11.867 1.00 0.00 ATOM 404 CB LEU A 58 34.002 19.621 11.981 1.00 0.00 ATOM 405 CG LEU A 58 35.496 19.458 11.991 1.00 0.00 ATOM 406 CD1 LEU A 58 36.136 20.840 11.965 1.00 0.00 ATOM 407 CD2 LEU A 58 35.902 18.687 13.242 1.00 0.00 ATOM 408 O LEU A 58 31.100 19.373 11.283 1.00 0.00 ATOM 409 C LEU A 58 31.709 18.648 12.078 1.00 0.00 ATOM 410 N ARG A 59 31.121 18.067 13.117 1.00 0.00 ATOM 411 CA ARG A 59 29.712 18.295 13.406 1.00 0.00 ATOM 412 CB ARG A 59 29.051 16.910 13.694 1.00 0.00 ATOM 413 CG ARG A 59 29.177 15.887 12.583 1.00 0.00 ATOM 414 CD ARG A 59 28.714 14.520 13.049 1.00 0.00 ATOM 415 NE ARG A 59 28.724 13.543 11.965 1.00 0.00 ATOM 416 CZ ARG A 59 28.450 12.252 12.127 1.00 0.00 ATOM 417 NH1 ARG A 59 28.144 11.785 13.328 1.00 0.00 ATOM 418 NH2 ARG A 59 28.476 11.431 11.088 1.00 0.00 ATOM 419 O ARG A 59 30.066 19.482 15.464 1.00 0.00 ATOM 420 C ARG A 59 29.485 19.443 14.381 1.00 0.00 ATOM 421 N VAL A 60 28.631 20.372 13.969 1.00 0.00 ATOM 422 CA VAL A 60 28.277 21.539 14.766 1.00 0.00 ATOM 423 CB VAL A 60 28.787 22.843 14.123 1.00 0.00 ATOM 424 CG1 VAL A 60 28.401 24.043 14.975 1.00 0.00 ATOM 425 CG2 VAL A 60 30.301 22.813 13.990 1.00 0.00 ATOM 426 O VAL A 60 26.041 22.078 14.024 1.00 0.00 ATOM 427 C VAL A 60 26.729 21.523 14.863 1.00 0.00 ATOM 428 N PRO A 61 26.147 20.784 15.911 1.00 0.00 ATOM 429 CA PRO A 61 24.682 20.694 16.058 1.00 0.00 ATOM 430 CB PRO A 61 24.474 19.592 17.124 1.00 0.00 ATOM 431 CG PRO A 61 25.754 19.391 17.811 1.00 0.00 ATOM 432 CD PRO A 61 26.868 20.076 16.960 1.00 0.00 ATOM 433 O PRO A 61 23.693 22.148 17.670 1.00 0.00 ATOM 434 C PRO A 61 24.008 21.979 16.496 1.00 0.00 ATOM 435 N VAL A 62 23.761 22.870 15.547 1.00 0.00 ATOM 436 CA VAL A 62 23.144 24.149 15.856 1.00 0.00 ATOM 437 CB VAL A 62 24.153 25.305 15.735 1.00 0.00 ATOM 438 CG1 VAL A 62 25.294 25.122 16.724 1.00 0.00 ATOM 439 CG2 VAL A 62 24.738 25.356 14.332 1.00 0.00 ATOM 440 O VAL A 62 22.115 24.348 13.704 1.00 0.00 ATOM 441 C VAL A 62 21.989 24.456 14.924 1.00 0.00 ATOM 442 N PHE A 63 20.888 24.965 15.506 1.00 0.00 ATOM 443 CA PHE A 63 19.724 25.348 14.725 1.00 0.00 ATOM 444 CB PHE A 63 18.530 25.617 15.648 1.00 0.00 ATOM 445 CG PHE A 63 17.759 24.396 16.029 1.00 0.00 ATOM 446 CD1 PHE A 63 16.366 24.406 15.914 1.00 0.00 ATOM 447 CD2 PHE A 63 18.402 23.263 16.565 1.00 0.00 ATOM 448 CE1 PHE A 63 15.601 23.303 16.319 1.00 0.00 ATOM 449 CE2 PHE A 63 17.655 22.139 16.990 1.00 0.00 ATOM 450 CZ PHE A 63 16.247 22.158 16.866 1.00 0.00 ATOM 451 O PHE A 63 20.634 27.575 14.767 1.00 0.00 ATOM 452 C PHE A 63 19.841 26.794 14.234 1.00 0.00 ATOM 453 N ASP A 64 19.050 27.161 13.230 1.00 0.00 ATOM 454 CA ASP A 64 19.094 28.524 12.729 1.00 0.00 ATOM 455 CB ASP A 64 18.775 28.552 11.232 1.00 0.00 ATOM 456 CG ASP A 64 18.977 29.923 10.619 1.00 0.00 ATOM 457 OD1 ASP A 64 19.413 30.840 11.345 1.00 0.00 ATOM 458 OD2 ASP A 64 18.702 30.079 9.410 1.00 0.00 ATOM 459 O ASP A 64 16.991 29.663 12.918 1.00 0.00 ATOM 460 C ASP A 64 18.092 29.442 13.424 1.00 0.00 ATOM 461 N ASP A 65 18.474 29.960 14.591 1.00 0.00 ATOM 462 CA ASP A 65 17.638 30.891 15.345 1.00 0.00 ATOM 463 CB ASP A 65 16.906 30.160 16.472 1.00 0.00 ATOM 464 CG ASP A 65 15.946 31.062 17.225 1.00 0.00 ATOM 465 OD1 ASP A 65 14.917 31.456 16.635 1.00 0.00 ATOM 466 OD2 ASP A 65 16.224 31.376 18.402 1.00 0.00 ATOM 467 O ASP A 65 19.721 31.623 16.277 1.00 0.00 ATOM 468 C ASP A 65 18.593 31.938 15.895 1.00 0.00 ATOM 469 N PRO A 66 18.157 33.203 15.938 1.00 0.00 ATOM 470 CA PRO A 66 19.013 34.279 16.444 1.00 0.00 ATOM 471 CB PRO A 66 18.153 35.536 16.297 1.00 0.00 ATOM 472 CG PRO A 66 16.748 35.033 16.337 1.00 0.00 ATOM 473 CD PRO A 66 16.764 33.701 15.638 1.00 0.00 ATOM 474 O PRO A 66 20.515 34.774 18.258 1.00 0.00 ATOM 475 C PRO A 66 19.537 34.129 17.874 1.00 0.00 ATOM 476 N ALA A 67 18.896 33.289 18.659 1.00 0.00 ATOM 477 CA ALA A 67 19.304 33.071 20.045 1.00 0.00 ATOM 478 CB ALA A 67 18.120 32.601 20.874 1.00 0.00 ATOM 479 O ALA A 67 21.079 32.028 21.303 1.00 0.00 ATOM 480 C ALA A 67 20.428 32.055 20.255 1.00 0.00 ATOM 481 N GLU A 68 20.651 31.218 19.252 1.00 0.00 ATOM 482 CA GLU A 68 21.688 30.205 19.329 1.00 0.00 ATOM 483 CB GLU A 68 21.555 29.214 18.170 1.00 0.00 ATOM 484 CG GLU A 68 22.541 28.060 18.224 1.00 0.00 ATOM 485 CD GLU A 68 22.364 27.201 19.460 1.00 0.00 ATOM 486 OE1 GLU A 68 21.228 26.756 19.718 1.00 0.00 ATOM 487 OE2 GLU A 68 23.365 26.972 20.173 1.00 0.00 ATOM 488 O GLU A 68 23.336 31.710 18.447 1.00 0.00 ATOM 489 C GLU A 68 23.061 30.864 19.291 1.00 0.00 ATOM 490 N ASP A 69 23.939 30.495 20.232 1.00 0.00 ATOM 491 CA ASP A 69 25.283 31.072 20.280 1.00 0.00 ATOM 492 CB ASP A 69 25.626 31.460 21.781 1.00 0.00 ATOM 493 CG ASP A 69 26.819 32.372 21.965 1.00 0.00 ATOM 494 OD1 ASP A 69 27.028 33.271 21.122 1.00 0.00 ATOM 495 OD2 ASP A 69 27.542 32.200 22.968 1.00 0.00 ATOM 496 O ASP A 69 27.174 29.648 19.967 1.00 0.00 ATOM 497 C ASP A 69 26.303 30.319 19.424 1.00 0.00 ATOM 498 N LEU A 70 26.181 30.410 18.097 1.00 0.00 ATOM 499 CA LEU A 70 27.136 29.732 17.210 1.00 0.00 ATOM 500 CB LEU A 70 26.757 29.952 15.745 1.00 0.00 ATOM 501 CG LEU A 70 27.528 29.128 14.713 1.00 0.00 ATOM 502 CD1 LEU A 70 27.329 27.640 14.956 1.00 0.00 ATOM 503 CD2 LEU A 70 27.051 29.448 13.304 1.00 0.00 ATOM 504 O LEU A 70 29.514 29.649 17.034 1.00 0.00 ATOM 505 C LEU A 70 28.535 30.273 17.436 1.00 0.00 ATOM 506 N LEU A 71 28.621 31.442 18.067 1.00 0.00 ATOM 507 CA LEU A 71 29.913 32.067 18.330 1.00 0.00 ATOM 508 CB LEU A 71 29.671 33.490 18.938 1.00 0.00 ATOM 509 CG LEU A 71 30.909 34.184 19.507 1.00 0.00 ATOM 510 CD1 LEU A 71 31.957 34.484 18.432 1.00 0.00 ATOM 511 CD2 LEU A 71 30.464 35.456 20.194 1.00 0.00 ATOM 512 O LEU A 71 31.996 31.185 19.096 1.00 0.00 ATOM 513 C LEU A 71 30.774 31.124 19.166 1.00 0.00 ATOM 514 N THR A 72 30.119 30.257 19.920 1.00 0.00 ATOM 515 CA THR A 72 30.889 29.326 20.751 1.00 0.00 ATOM 516 CB THR A 72 29.983 28.630 21.806 1.00 0.00 ATOM 517 CG2 THR A 72 29.294 29.657 22.688 1.00 0.00 ATOM 518 OG1 THR A 72 28.997 27.831 21.141 1.00 0.00 ATOM 519 O THR A 72 32.566 27.632 20.454 1.00 0.00 ATOM 520 C THR A 72 31.675 28.308 19.931 1.00 0.00 ATOM 521 N HIS A 73 31.365 28.224 18.649 1.00 0.00 ATOM 522 CA HIS A 73 32.046 27.292 17.749 1.00 0.00 ATOM 523 CB HIS A 73 31.032 26.465 16.957 1.00 0.00 ATOM 524 CG HIS A 73 30.136 25.626 17.814 1.00 0.00 ATOM 525 CD2 HIS A 73 28.720 25.629 18.151 1.00 0.00 ATOM 526 ND1 HIS A 73 30.594 24.544 18.535 1.00 0.00 ATOM 527 CE1 HIS A 73 29.562 23.996 19.203 1.00 0.00 ATOM 528 NE2 HIS A 73 28.435 24.642 18.975 1.00 0.00 ATOM 529 O HIS A 73 33.597 27.325 15.927 1.00 0.00 ATOM 530 C HIS A 73 32.967 27.986 16.748 1.00 0.00 ATOM 531 N LEU A 74 33.076 29.275 16.776 1.00 0.00 ATOM 532 CA LEU A 74 33.909 30.021 15.838 1.00 0.00 ATOM 533 CB LEU A 74 33.844 31.516 16.226 1.00 0.00 ATOM 534 CG LEU A 74 32.470 32.180 16.028 1.00 0.00 ATOM 535 CD1 LEU A 74 32.667 33.696 16.118 1.00 0.00 ATOM 536 CD2 LEU A 74 31.900 31.866 14.652 1.00 0.00 ATOM 537 O LEU A 74 35.994 29.408 14.809 1.00 0.00 ATOM 538 C LEU A 74 35.382 29.614 15.860 1.00 0.00 ATOM 539 N GLU A 75 35.952 29.509 17.056 1.00 0.00 ATOM 540 CA GLU A 75 37.359 29.163 17.194 1.00 0.00 ATOM 541 CB GLU A 75 37.747 29.087 18.673 1.00 0.00 ATOM 542 CG GLU A 75 39.210 28.745 18.913 1.00 0.00 ATOM 543 CD GLU A 75 39.547 28.630 20.387 1.00 0.00 ATOM 544 OE1 GLU A 75 38.641 28.833 21.221 1.00 0.00 ATOM 545 OE2 GLU A 75 40.717 28.335 20.706 1.00 0.00 ATOM 546 O GLU A 75 38.554 27.695 15.715 1.00 0.00 ATOM 547 C GLU A 75 37.678 27.812 16.571 1.00 0.00 ATOM 548 N PRO A 76 36.959 26.786 17.005 1.00 0.00 ATOM 549 CA PRO A 76 37.197 25.452 16.490 1.00 0.00 ATOM 550 CB PRO A 76 36.205 24.577 17.257 1.00 0.00 ATOM 551 CG PRO A 76 36.000 25.291 18.551 1.00 0.00 ATOM 552 CD PRO A 76 35.992 26.757 18.220 1.00 0.00 ATOM 553 O PRO A 76 37.775 24.720 14.274 1.00 0.00 ATOM 554 C PRO A 76 36.989 25.357 14.978 1.00 0.00 ATOM 555 N THR A 77 35.938 25.999 14.450 1.00 0.00 ATOM 556 CA THR A 77 35.658 25.947 13.021 1.00 0.00 ATOM 557 CB THR A 77 34.332 26.645 12.670 1.00 0.00 ATOM 558 CG2 THR A 77 34.086 26.602 11.171 1.00 0.00 ATOM 559 OG1 THR A 77 33.249 25.984 13.338 1.00 0.00 ATOM 560 O THR A 77 37.226 26.103 11.198 1.00 0.00 ATOM 561 C THR A 77 36.762 26.626 12.220 1.00 0.00 ATOM 562 N CYS A 78 37.178 27.800 12.678 1.00 0.00 ATOM 563 CA CYS A 78 38.222 28.533 11.989 1.00 0.00 ATOM 564 CB CYS A 78 38.449 29.893 12.652 1.00 0.00 ATOM 565 SG CYS A 78 37.074 31.052 12.473 1.00 0.00 ATOM 566 O CYS A 78 40.239 27.679 10.972 1.00 0.00 ATOM 567 C CYS A 78 39.522 27.714 11.976 1.00 0.00 ATOM 568 N ALA A 79 39.800 27.059 13.080 1.00 0.00 ATOM 569 CA ALA A 79 41.017 26.256 13.192 1.00 0.00 ATOM 570 CB ALA A 79 41.207 25.759 14.616 1.00 0.00 ATOM 571 O ALA A 79 41.945 24.742 11.595 1.00 0.00 ATOM 572 C ALA A 79 40.959 25.074 12.249 1.00 0.00 ATOM 573 N ALA A 80 39.789 24.452 12.179 1.00 0.00 ATOM 574 CA ALA A 80 39.563 23.310 11.302 1.00 0.00 ATOM 575 CB ALA A 80 38.136 22.806 11.445 1.00 0.00 ATOM 576 O ALA A 80 40.421 23.029 9.088 1.00 0.00 ATOM 577 C ALA A 80 39.752 23.710 9.852 1.00 0.00 ATOM 578 N MET A 81 39.120 24.831 9.431 1.00 0.00 ATOM 579 CA MET A 81 39.220 25.289 8.055 1.00 0.00 ATOM 580 CB MET A 81 38.266 26.444 7.811 1.00 0.00 ATOM 581 CG MET A 81 36.836 25.968 7.966 1.00 0.00 ATOM 582 SD MET A 81 35.653 27.123 7.258 1.00 0.00 ATOM 583 CE MET A 81 35.747 28.409 8.499 1.00 0.00 ATOM 584 O MET A 81 41.124 25.327 6.590 1.00 0.00 ATOM 585 C MET A 81 40.641 25.685 7.667 1.00 0.00 ATOM 586 N GLU A 82 41.302 26.430 8.544 1.00 0.00 ATOM 587 CA GLU A 82 42.654 26.888 8.276 1.00 0.00 ATOM 588 CB GLU A 82 43.170 27.744 9.434 1.00 0.00 ATOM 589 CG GLU A 82 44.570 28.296 9.222 1.00 0.00 ATOM 590 CD GLU A 82 45.034 29.167 10.375 1.00 0.00 ATOM 591 OE1 GLU A 82 44.254 29.347 11.333 1.00 0.00 ATOM 592 OE2 GLU A 82 46.177 29.668 10.318 1.00 0.00 ATOM 593 O GLU A 82 44.468 25.729 7.209 1.00 0.00 ATOM 594 C GLU A 82 43.629 25.724 8.114 1.00 0.00 ATOM 595 N ALA A 83 43.563 24.767 9.035 1.00 0.00 ATOM 596 CA ALA A 83 44.437 23.603 8.987 1.00 0.00 ATOM 597 CB ALA A 83 44.093 22.637 10.112 1.00 0.00 ATOM 598 O ALA A 83 45.209 22.515 6.977 1.00 0.00 ATOM 599 C ALA A 83 44.240 22.889 7.652 1.00 0.00 ATOM 600 N ALA A 84 42.980 22.727 7.259 1.00 0.00 ATOM 601 CA ALA A 84 42.668 22.074 6.000 1.00 0.00 ATOM 602 CB ALA A 84 41.198 22.026 5.731 1.00 0.00 ATOM 603 O ALA A 84 43.867 22.220 3.932 1.00 0.00 ATOM 604 C ALA A 84 43.241 22.821 4.804 1.00 0.00 ATOM 605 N VAL A 85 43.042 24.148 4.760 1.00 0.00 ATOM 606 CA VAL A 85 43.528 24.941 3.636 1.00 0.00 ATOM 607 CB VAL A 85 43.090 26.413 3.757 1.00 0.00 ATOM 608 CG1 VAL A 85 43.784 27.263 2.704 1.00 0.00 ATOM 609 CG2 VAL A 85 41.587 26.540 3.562 1.00 0.00 ATOM 610 O VAL A 85 45.581 24.684 2.443 1.00 0.00 ATOM 611 C VAL A 85 45.042 24.960 3.511 1.00 0.00 ATOM 612 N ARG A 86 45.732 25.307 4.606 1.00 0.00 ATOM 613 CA ARG A 86 47.187 25.352 4.583 1.00 0.00 ATOM 614 CB ARG A 86 47.611 26.014 5.957 1.00 0.00 ATOM 615 CG ARG A 86 49.061 26.401 6.105 1.00 0.00 ATOM 616 CD ARG A 86 49.652 26.348 7.478 1.00 0.00 ATOM 617 NE ARG A 86 48.901 26.166 8.704 1.00 0.00 ATOM 618 CZ ARG A 86 47.912 26.959 9.106 1.00 0.00 ATOM 619 NH1 ARG A 86 47.678 27.931 8.238 1.00 0.00 ATOM 620 NH2 ARG A 86 47.207 26.842 10.218 1.00 0.00 ATOM 621 O ARG A 86 48.978 23.999 3.728 1.00 0.00 ATOM 622 C ARG A 86 47.871 24.020 4.270 1.00 0.00 ATOM 623 N ASP A 87 47.173 22.939 4.554 1.00 0.00 ATOM 624 CA ASP A 87 47.674 21.588 4.307 1.00 0.00 ATOM 625 CB ASP A 87 47.239 20.666 5.447 1.00 0.00 ATOM 626 CG ASP A 87 47.959 20.967 6.747 1.00 0.00 ATOM 627 OD1 ASP A 87 48.969 21.700 6.711 1.00 0.00 ATOM 628 OD2 ASP A 87 47.515 20.466 7.801 1.00 0.00 ATOM 629 O ASP A 87 47.348 19.764 2.778 1.00 0.00 ATOM 630 C ASP A 87 47.243 20.971 2.974 1.00 0.00 ATOM 631 N GLY A 88 46.772 21.804 2.060 1.00 0.00 ATOM 632 CA GLY A 88 46.402 21.329 0.735 1.00 0.00 ATOM 633 O GLY A 88 44.834 19.959 -0.474 1.00 0.00 ATOM 634 C GLY A 88 45.050 20.663 0.528 1.00 0.00 ATOM 635 N GLY A 89 44.118 20.877 1.410 1.00 0.00 ATOM 636 CA GLY A 89 42.793 20.292 1.308 1.00 0.00 ATOM 637 O GLY A 89 42.071 22.391 0.420 1.00 0.00 ATOM 638 C GLY A 89 41.745 21.275 0.819 1.00 0.00 ATOM 639 N SER A 90 40.482 20.862 0.854 1.00 0.00 ATOM 640 CA SER A 90 39.379 21.721 0.442 1.00 0.00 ATOM 641 CB SER A 90 38.928 21.364 -0.974 1.00 0.00 ATOM 642 OG SER A 90 37.849 22.183 -1.390 1.00 0.00 ATOM 643 O SER A 90 37.736 20.395 1.606 1.00 0.00 ATOM 644 C SER A 90 38.213 21.515 1.408 1.00 0.00 ATOM 645 N CYS A 91 37.709 22.600 1.948 1.00 0.00 ATOM 646 CA CYS A 91 36.674 22.513 2.959 1.00 0.00 ATOM 647 CB CYS A 91 37.031 23.267 4.241 1.00 0.00 ATOM 648 SG CYS A 91 35.744 23.234 5.510 1.00 0.00 ATOM 649 O CYS A 91 35.202 24.266 2.226 1.00 0.00 ATOM 650 C CYS A 91 35.315 23.093 2.585 1.00 0.00 ATOM 651 N LEU A 92 34.301 22.246 2.672 1.00 0.00 ATOM 652 CA LEU A 92 32.943 22.661 2.351 1.00 0.00 ATOM 653 CB LEU A 92 32.253 21.595 1.497 1.00 0.00 ATOM 654 CG LEU A 92 30.793 21.866 1.124 1.00 0.00 ATOM 655 CD1 LEU A 92 30.684 23.095 0.234 1.00 0.00 ATOM 656 CD2 LEU A 92 30.201 20.682 0.376 1.00 0.00 ATOM 657 O LEU A 92 32.154 21.893 4.466 1.00 0.00 ATOM 658 C LEU A 92 32.238 22.855 3.689 1.00 0.00 ATOM 659 N VAL A 93 31.741 24.029 3.945 1.00 0.00 ATOM 660 CA VAL A 93 30.891 24.285 5.099 1.00 0.00 ATOM 661 CB VAL A 93 31.292 25.597 5.799 1.00 0.00 ATOM 662 CG1 VAL A 93 30.411 25.845 7.013 1.00 0.00 ATOM 663 CG2 VAL A 93 32.741 25.532 6.261 1.00 0.00 ATOM 664 O VAL A 93 29.167 25.038 3.652 1.00 0.00 ATOM 665 C VAL A 93 29.450 24.354 4.648 1.00 0.00 ATOM 666 N TYR A 94 28.520 23.612 5.341 1.00 0.00 ATOM 667 CA TYR A 94 27.159 23.588 4.828 1.00 0.00 ATOM 668 CB TYR A 94 26.881 22.419 3.881 1.00 0.00 ATOM 669 CG TYR A 94 27.043 21.060 4.523 1.00 0.00 ATOM 670 CD1 TYR A 94 25.956 20.411 5.098 1.00 0.00 ATOM 671 CD2 TYR A 94 28.280 20.427 4.552 1.00 0.00 ATOM 672 CE1 TYR A 94 26.095 19.169 5.688 1.00 0.00 ATOM 673 CE2 TYR A 94 28.435 19.184 5.136 1.00 0.00 ATOM 674 CZ TYR A 94 27.328 18.558 5.706 1.00 0.00 ATOM 675 OH TYR A 94 27.467 17.321 6.291 1.00 0.00 ATOM 676 O TYR A 94 26.400 22.866 7.005 1.00 0.00 ATOM 677 C TYR A 94 26.130 23.440 5.945 1.00 0.00 ATOM 678 N CYS A 95 24.937 23.949 5.661 1.00 0.00 ATOM 679 CA CYS A 95 23.795 23.921 6.572 1.00 0.00 ATOM 680 CB CYS A 95 23.650 25.274 7.271 1.00 0.00 ATOM 681 SG CYS A 95 23.231 26.643 6.169 1.00 0.00 ATOM 682 O CYS A 95 22.862 23.466 4.417 1.00 0.00 ATOM 683 C CYS A 95 22.655 23.533 5.634 1.00 0.00 ATOM 684 N LYS A 96 21.508 23.166 6.195 1.00 0.00 ATOM 685 CA LYS A 96 20.383 22.687 5.387 1.00 0.00 ATOM 686 CB LYS A 96 19.121 22.597 6.250 1.00 0.00 ATOM 687 CG LYS A 96 17.894 22.101 5.502 1.00 0.00 ATOM 688 CD LYS A 96 16.704 21.948 6.435 1.00 0.00 ATOM 689 CE LYS A 96 15.452 21.545 5.674 1.00 0.00 ATOM 690 NZ LYS A 96 14.312 21.267 6.586 1.00 0.00 ATOM 691 O LYS A 96 20.193 23.178 3.049 1.00 0.00 ATOM 692 C LYS A 96 20.014 23.571 4.204 1.00 0.00 ATOM 693 N ASN A 97 19.523 24.842 4.478 1.00 0.00 ATOM 694 CA ASN A 97 19.125 25.790 3.444 1.00 0.00 ATOM 695 CB ASN A 97 18.228 26.877 4.042 1.00 0.00 ATOM 696 CG ASN A 97 16.889 26.338 4.503 1.00 0.00 ATOM 697 ND2 ASN A 97 16.238 27.064 5.405 1.00 0.00 ATOM 698 OD1 ASN A 97 16.446 25.283 4.053 1.00 0.00 ATOM 699 O ASN A 97 20.061 26.918 1.546 1.00 0.00 ATOM 700 C ASN A 97 20.253 26.465 2.677 1.00 0.00 ATOM 701 N GLY A 98 21.436 26.499 3.276 1.00 0.00 ATOM 702 CA GLY A 98 22.556 27.143 2.619 1.00 0.00 ATOM 703 O GLY A 98 23.127 29.385 2.023 1.00 0.00 ATOM 704 C GLY A 98 22.469 28.656 2.767 1.00 0.00 ATOM 705 N ARG A 99 21.644 29.195 3.810 1.00 0.00 ATOM 706 CA ARG A 99 21.334 30.606 3.929 1.00 0.00 ATOM 707 CB ARG A 99 19.873 30.843 4.268 1.00 0.00 ATOM 708 CG ARG A 99 19.508 32.313 4.480 1.00 0.00 ATOM 709 CD ARG A 99 17.996 32.495 4.531 1.00 0.00 ATOM 710 NE ARG A 99 17.309 31.762 5.608 1.00 0.00 ATOM 711 CZ ARG A 99 17.193 32.208 6.863 1.00 0.00 ATOM 712 NH1 ARG A 99 16.540 31.499 7.760 1.00 0.00 ATOM 713 NH2 ARG A 99 17.756 33.359 7.228 1.00 0.00 ATOM 714 O ARG A 99 22.876 32.207 4.824 1.00 0.00 ATOM 715 C ARG A 99 22.061 31.307 5.072 1.00 0.00 ATOM 716 N SER A 100 21.772 30.926 6.315 1.00 0.00 ATOM 717 CA SER A 100 22.384 31.629 7.436 1.00 0.00 ATOM 718 CB SER A 100 21.323 32.023 8.465 1.00 0.00 ATOM 719 OG SER A 100 21.913 32.632 9.600 1.00 0.00 ATOM 720 O SER A 100 24.460 31.592 8.589 1.00 0.00 ATOM 721 C SER A 100 23.453 30.958 8.297 1.00 0.00 ATOM 722 N ARG A 101 23.248 29.703 8.700 1.00 0.00 ATOM 723 CA ARG A 101 24.218 28.995 9.548 1.00 0.00 ATOM 724 CB ARG A 101 23.712 27.593 9.889 1.00 0.00 ATOM 725 CG ARG A 101 22.563 27.572 10.882 1.00 0.00 ATOM 726 CD ARG A 101 22.299 26.165 11.393 1.00 0.00 ATOM 727 NE ARG A 101 21.863 25.267 10.323 1.00 0.00 ATOM 728 CZ ARG A 101 20.600 25.124 9.939 1.00 0.00 ATOM 729 NH1 ARG A 101 20.296 24.286 8.957 1.00 0.00 ATOM 730 NH2 ARG A 101 19.641 25.823 10.534 1.00 0.00 ATOM 731 O ARG A 101 26.622 29.174 9.556 1.00 0.00 ATOM 732 C ARG A 101 25.620 28.787 8.950 1.00 0.00 ATOM 733 N SER A 102 25.691 28.201 7.761 1.00 0.00 ATOM 734 CA SER A 102 26.984 27.965 7.125 1.00 0.00 ATOM 735 CB SER A 102 26.806 27.159 5.837 1.00 0.00 ATOM 736 OG SER A 102 26.085 27.898 4.866 1.00 0.00 ATOM 737 O SER A 102 28.868 29.455 6.858 1.00 0.00 ATOM 738 C SER A 102 27.643 29.299 6.785 1.00 0.00 ATOM 739 N ALA A 103 26.811 30.263 6.415 1.00 0.00 ATOM 740 CA ALA A 103 27.275 31.593 6.046 1.00 0.00 ATOM 741 CB ALA A 103 26.102 32.405 5.473 1.00 0.00 ATOM 742 O ALA A 103 28.981 32.946 7.063 1.00 0.00 ATOM 743 C ALA A 103 27.956 32.280 7.226 1.00 0.00 ATOM 744 N ALA A 104 27.386 32.103 8.412 1.00 0.00 ATOM 745 CA ALA A 104 27.934 32.716 9.617 1.00 0.00 ATOM 746 CB ALA A 104 27.025 32.420 10.801 1.00 0.00 ATOM 747 O ALA A 104 30.256 32.933 10.254 1.00 0.00 ATOM 748 C ALA A 104 29.332 32.172 9.942 1.00 0.00 ATOM 749 N VAL A 105 29.479 30.851 9.872 1.00 0.00 ATOM 750 CA VAL A 105 30.759 30.217 10.151 1.00 0.00 ATOM 751 CB VAL A 105 30.598 28.688 10.117 1.00 0.00 ATOM 752 CG1 VAL A 105 31.880 27.971 10.062 1.00 0.00 ATOM 753 CG2 VAL A 105 29.810 28.251 11.358 1.00 0.00 ATOM 754 O VAL A 105 32.949 31.010 9.579 1.00 0.00 ATOM 755 C VAL A 105 31.840 30.671 9.176 1.00 0.00 ATOM 756 N CYS A 106 31.530 30.666 7.881 1.00 0.00 ATOM 757 CA CYS A 106 32.476 31.061 6.844 1.00 0.00 ATOM 758 CB CYS A 106 31.920 30.845 5.436 1.00 0.00 ATOM 759 SG CYS A 106 31.751 29.111 4.958 1.00 0.00 ATOM 760 O CYS A 106 34.023 32.908 6.712 1.00 0.00 ATOM 761 C CYS A 106 32.866 32.542 6.959 1.00 0.00 ATOM 762 N THR A 107 31.901 33.394 7.300 1.00 0.00 ATOM 763 CA THR A 107 32.164 34.825 7.437 1.00 0.00 ATOM 764 CB THR A 107 30.965 35.668 7.691 1.00 0.00 ATOM 765 CG2 THR A 107 29.921 35.390 6.631 1.00 0.00 ATOM 766 OG1 THR A 107 30.404 35.390 8.976 1.00 0.00 ATOM 767 O THR A 107 34.049 35.900 8.457 1.00 0.00 ATOM 768 C THR A 107 33.140 35.059 8.561 1.00 0.00 ATOM 769 N ALA A 108 32.961 34.338 9.651 1.00 0.00 ATOM 770 CA ALA A 108 33.856 34.439 10.803 1.00 0.00 ATOM 771 CB ALA A 108 33.355 33.574 12.005 1.00 0.00 ATOM 772 O ALA A 108 36.239 34.678 10.766 1.00 0.00 ATOM 773 C ALA A 108 35.263 34.035 10.387 1.00 0.00 ATOM 774 N TYR A 109 35.364 32.961 9.593 1.00 0.00 ATOM 775 CA TYR A 109 36.661 32.486 9.130 1.00 0.00 ATOM 776 CB TYR A 109 36.534 31.217 8.303 1.00 0.00 ATOM 777 CG TYR A 109 37.859 30.770 7.769 1.00 0.00 ATOM 778 CD1 TYR A 109 38.853 30.305 8.631 1.00 0.00 ATOM 779 CD2 TYR A 109 38.161 30.879 6.413 1.00 0.00 ATOM 780 CE1 TYR A 109 40.110 29.966 8.157 1.00 0.00 ATOM 781 CE2 TYR A 109 39.414 30.543 5.934 1.00 0.00 ATOM 782 CZ TYR A 109 40.383 30.090 6.812 1.00 0.00 ATOM 783 OH TYR A 109 41.639 29.789 6.354 1.00 0.00 ATOM 784 O TYR A 109 38.551 33.857 8.513 1.00 0.00 ATOM 785 C TYR A 109 37.381 33.531 8.279 1.00 0.00 ATOM 786 N LEU A 110 36.662 34.076 7.306 1.00 0.00 ATOM 787 CA LEU A 110 37.239 35.075 6.422 1.00 0.00 ATOM 788 CB LEU A 110 36.237 35.340 5.248 1.00 0.00 ATOM 789 CG LEU A 110 36.063 34.281 4.156 1.00 0.00 ATOM 790 CD1 LEU A 110 34.872 34.646 3.279 1.00 0.00 ATOM 791 CD2 LEU A 110 37.332 34.183 3.320 1.00 0.00 ATOM 792 O LEU A 110 38.609 36.989 6.874 1.00 0.00 ATOM 793 C LEU A 110 37.607 36.350 7.182 1.00 0.00 ATOM 794 N MET A 111 36.800 36.700 8.164 1.00 0.00 ATOM 795 CA MET A 111 37.090 37.894 8.956 1.00 0.00 ATOM 796 CB MET A 111 36.040 38.093 10.050 1.00 0.00 ATOM 797 CG MET A 111 34.684 38.549 9.535 1.00 0.00 ATOM 798 SD MET A 111 33.562 39.029 10.862 1.00 0.00 ATOM 799 CE MET A 111 33.126 37.425 11.533 1.00 0.00 ATOM 800 O MET A 111 39.262 38.690 9.610 1.00 0.00 ATOM 801 C MET A 111 38.452 37.762 9.627 1.00 0.00 ATOM 802 N ARG A 112 38.715 36.604 10.213 1.00 0.00 ATOM 803 CA ARG A 112 39.979 36.363 10.900 1.00 0.00 ATOM 804 CB ARG A 112 39.969 35.038 11.664 1.00 0.00 ATOM 805 CG ARG A 112 41.244 34.760 12.445 1.00 0.00 ATOM 806 CD ARG A 112 41.119 33.493 13.274 1.00 0.00 ATOM 807 NE ARG A 112 42.335 33.212 14.030 1.00 0.00 ATOM 808 CZ ARG A 112 42.514 32.132 14.786 1.00 0.00 ATOM 809 NH1 ARG A 112 43.655 31.961 15.438 1.00 0.00 ATOM 810 NH2 ARG A 112 41.550 31.228 14.887 1.00 0.00 ATOM 811 O ARG A 112 42.291 36.847 10.295 1.00 0.00 ATOM 812 C ARG A 112 41.234 36.301 9.972 1.00 0.00 ATOM 813 N HIS A 113 41.093 35.681 8.860 1.00 0.00 ATOM 814 CA HIS A 113 42.189 35.591 7.878 1.00 0.00 ATOM 815 CB HIS A 113 42.040 34.166 7.135 1.00 0.00 ATOM 816 CG HIS A 113 43.226 33.801 6.297 1.00 0.00 ATOM 817 CD2 HIS A 113 43.496 34.026 4.990 1.00 0.00 ATOM 818 ND1 HIS A 113 44.345 33.191 6.820 1.00 0.00 ATOM 819 CE1 HIS A 113 45.255 33.057 5.872 1.00 0.00 ATOM 820 NE2 HIS A 113 44.765 33.556 4.752 1.00 0.00 ATOM 821 O HIS A 113 43.536 37.605 7.418 1.00 0.00 ATOM 822 C HIS A 113 42.434 37.041 7.343 1.00 0.00 ATOM 823 N ARG A 114 41.448 37.689 6.860 1.00 0.00 ATOM 824 CA ARG A 114 41.590 39.002 6.259 1.00 0.00 ATOM 825 CB ARG A 114 40.293 39.394 5.546 1.00 0.00 ATOM 826 CG ARG A 114 39.952 38.402 4.429 1.00 0.00 ATOM 827 CD ARG A 114 41.037 38.235 3.372 1.00 0.00 ATOM 828 NE ARG A 114 41.315 39.344 2.565 1.00 0.00 ATOM 829 CZ ARG A 114 40.744 39.620 1.392 1.00 0.00 ATOM 830 NH1 ARG A 114 39.799 38.851 0.859 1.00 0.00 ATOM 831 NH2 ARG A 114 41.169 40.704 0.769 1.00 0.00 ATOM 832 O ARG A 114 42.205 41.269 6.801 1.00 0.00 ATOM 833 C ARG A 114 41.677 40.221 7.182 1.00 0.00 ATOM 834 N GLY A 115 41.162 40.080 8.398 1.00 0.00 ATOM 835 CA GLY A 115 41.183 41.187 9.339 1.00 0.00 ATOM 836 O GLY A 115 40.132 43.321 9.577 1.00 0.00 ATOM 837 C GLY A 115 40.119 42.219 9.022 1.00 0.00 ATOM 838 N HIS A 116 39.201 41.862 8.122 1.00 0.00 ATOM 839 CA HIS A 116 38.126 42.755 7.701 1.00 0.00 ATOM 840 CB HIS A 116 37.795 42.558 6.220 1.00 0.00 ATOM 841 CG HIS A 116 38.869 43.032 5.292 1.00 0.00 ATOM 842 CD2 HIS A 116 39.934 42.402 4.529 1.00 0.00 ATOM 843 ND1 HIS A 116 39.039 44.363 4.969 1.00 0.00 ATOM 844 CE1 HIS A 116 40.076 44.476 4.120 1.00 0.00 ATOM 845 NE2 HIS A 116 40.618 43.305 3.852 1.00 0.00 ATOM 846 O HIS A 116 36.625 41.428 9.015 1.00 0.00 ATOM 847 C HIS A 116 36.834 42.514 8.484 1.00 0.00 ATOM 848 N SER A 117 35.989 43.542 8.567 1.00 0.00 ATOM 849 CA SER A 117 34.726 43.450 9.295 1.00 0.00 ATOM 850 CB SER A 117 34.074 44.829 9.415 1.00 0.00 ATOM 851 OG SER A 117 33.644 45.301 8.149 1.00 0.00 ATOM 852 O SER A 117 33.838 42.112 7.510 1.00 0.00 ATOM 853 C SER A 117 33.716 42.489 8.666 1.00 0.00 ATOM 854 N LEU A 118 32.712 42.096 9.435 1.00 0.00 ATOM 855 CA LEU A 118 31.673 41.210 8.936 1.00 0.00 ATOM 856 CB LEU A 118 30.690 40.832 10.052 1.00 0.00 ATOM 857 CG LEU A 118 29.546 39.908 9.626 1.00 0.00 ATOM 858 CD1 LEU A 118 30.116 38.579 9.132 1.00 0.00 ATOM 859 CD2 LEU A 118 28.602 39.683 10.804 1.00 0.00 ATOM 860 O LEU A 118 30.438 41.064 6.890 1.00 0.00 ATOM 861 C LEU A 118 30.838 41.792 7.804 1.00 0.00 ATOM 862 N ASP A 119 30.569 43.068 7.852 1.00 0.00 ATOM 863 CA ASP A 119 29.789 43.670 6.750 1.00 0.00 ATOM 864 CB ASP A 119 29.491 45.142 7.042 1.00 0.00 ATOM 865 CG ASP A 119 28.505 45.322 8.179 1.00 0.00 ATOM 866 OD1 ASP A 119 27.868 44.326 8.576 1.00 0.00 ATOM 867 OD2 ASP A 119 28.369 46.463 8.673 1.00 0.00 ATOM 868 O ASP A 119 29.902 43.128 4.423 1.00 0.00 ATOM 869 C ASP A 119 30.492 43.590 5.400 1.00 0.00 ATOM 870 N ARG A 120 31.750 44.010 5.346 1.00 0.00 ATOM 871 CA ARG A 120 32.493 43.940 4.099 1.00 0.00 ATOM 872 CB ARG A 120 33.892 44.534 4.274 1.00 0.00 ATOM 873 CG ARG A 120 33.909 46.044 4.445 1.00 0.00 ATOM 874 CD ARG A 120 35.319 46.556 4.687 1.00 0.00 ATOM 875 NE ARG A 120 35.349 48.006 4.879 1.00 0.00 ATOM 876 CZ ARG A 120 36.444 48.697 5.181 1.00 0.00 ATOM 877 NH1 ARG A 120 36.376 50.012 5.338 1.00 0.00 ATOM 878 NH2 ARG A 120 37.604 48.072 5.324 1.00 0.00 ATOM 879 O ARG A 120 32.490 42.158 2.493 1.00 0.00 ATOM 880 C ARG A 120 32.621 42.480 3.673 1.00 0.00 ATOM 881 N ALA A 121 32.872 41.598 4.638 1.00 0.00 ATOM 882 CA ALA A 121 33.026 40.179 4.330 1.00 0.00 ATOM 883 CB ALA A 121 33.416 39.403 5.579 1.00 0.00 ATOM 884 O ALA A 121 31.715 38.904 2.760 1.00 0.00 ATOM 885 C ALA A 121 31.720 39.588 3.790 1.00 0.00 ATOM 886 N PHE A 122 30.618 39.870 4.476 1.00 0.00 ATOM 887 CA PHE A 122 29.308 39.368 4.069 1.00 0.00 ATOM 888 CB PHE A 122 28.226 39.844 5.038 1.00 0.00 ATOM 889 CG PHE A 122 26.839 39.402 4.664 1.00 0.00 ATOM 890 CD1 PHE A 122 26.408 38.118 4.945 1.00 0.00 ATOM 891 CD2 PHE A 122 25.967 40.272 4.034 1.00 0.00 ATOM 892 CE1 PHE A 122 25.133 37.712 4.600 1.00 0.00 ATOM 893 CE2 PHE A 122 24.692 39.865 3.689 1.00 0.00 ATOM 894 CZ PHE A 122 24.273 38.590 3.970 1.00 0.00 ATOM 895 O PHE A 122 28.455 39.185 1.828 1.00 0.00 ATOM 896 C PHE A 122 28.946 39.908 2.689 1.00 0.00 ATOM 897 N GLN A 123 29.222 41.179 2.443 1.00 0.00 ATOM 898 CA GLN A 123 28.965 41.784 1.137 1.00 0.00 ATOM 899 CB GLN A 123 29.098 43.294 1.174 1.00 0.00 ATOM 900 CG GLN A 123 28.270 43.966 2.252 1.00 0.00 ATOM 901 CD GLN A 123 28.463 45.468 2.304 1.00 0.00 ATOM 902 OE1 GLN A 123 29.576 45.996 2.243 1.00 0.00 ATOM 903 NE2 GLN A 123 27.344 46.182 2.401 1.00 0.00 ATOM 904 O GLN A 123 29.338 40.848 -1.045 1.00 0.00 ATOM 905 C GLN A 123 29.816 41.120 0.062 1.00 0.00 ATOM 906 N MET A 124 31.054 40.793 0.414 1.00 0.00 ATOM 907 CA MET A 124 31.948 40.149 -0.537 1.00 0.00 ATOM 908 CB MET A 124 33.368 40.075 0.031 1.00 0.00 ATOM 909 CG MET A 124 34.055 41.424 0.162 1.00 0.00 ATOM 910 SD MET A 124 34.240 42.265 -1.422 1.00 0.00 ATOM 911 CE MET A 124 35.442 41.210 -2.229 1.00 0.00 ATOM 912 O MET A 124 31.474 38.279 -1.984 1.00 0.00 ATOM 913 C MET A 124 31.442 38.738 -0.837 1.00 0.00 ATOM 914 N VAL A 125 30.936 38.066 0.192 1.00 0.00 ATOM 915 CA VAL A 125 30.414 36.722 0.011 1.00 0.00 ATOM 916 CB VAL A 125 30.053 36.074 1.361 1.00 0.00 ATOM 917 CG1 VAL A 125 29.341 34.747 1.141 1.00 0.00 ATOM 918 CG2 VAL A 125 31.305 35.817 2.184 1.00 0.00 ATOM 919 O VAL A 125 28.973 35.897 -1.729 1.00 0.00 ATOM 920 C VAL A 125 29.157 36.761 -0.864 1.00 0.00 ATOM 921 N LYS A 126 28.295 37.747 -0.623 1.00 0.00 ATOM 922 CA LYS A 126 27.058 37.892 -1.397 1.00 0.00 ATOM 923 CB LYS A 126 26.305 39.152 -0.969 1.00 0.00 ATOM 924 CG LYS A 126 24.978 39.355 -1.686 1.00 0.00 ATOM 925 CD LYS A 126 24.245 40.576 -1.153 1.00 0.00 ATOM 926 CE LYS A 126 22.911 40.767 -1.855 1.00 0.00 ATOM 927 NZ LYS A 126 22.178 41.957 -1.342 1.00 0.00 ATOM 928 O LYS A 126 26.514 37.572 -3.717 1.00 0.00 ATOM 929 C LYS A 126 27.330 37.998 -2.899 1.00 0.00 ATOM 930 N SER A 127 28.453 38.609 -3.258 1.00 0.00 ATOM 931 CA SER A 127 28.812 38.768 -4.662 1.00 0.00 ATOM 932 CB SER A 127 30.168 39.464 -4.792 1.00 0.00 ATOM 933 OG SER A 127 30.112 40.790 -4.295 1.00 0.00 ATOM 934 O SER A 127 28.564 37.283 -6.529 1.00 0.00 ATOM 935 C SER A 127 28.913 37.409 -5.354 1.00 0.00 ATOM 936 N ALA A 128 29.301 36.389 -4.611 1.00 0.00 ATOM 937 CA ALA A 128 29.434 35.039 -5.166 1.00 0.00 ATOM 938 CB ALA A 128 30.791 34.461 -4.800 1.00 0.00 ATOM 939 O ALA A 128 27.828 33.341 -5.666 1.00 0.00 ATOM 940 C ALA A 128 28.170 34.238 -4.893 1.00 0.00 ATOM 941 N ARG A 129 27.458 34.552 -3.741 1.00 0.00 ATOM 942 CA ARG A 129 26.239 33.839 -3.363 1.00 0.00 ATOM 943 CB ARG A 129 26.792 32.896 -2.294 1.00 0.00 ATOM 944 CG ARG A 129 25.758 31.950 -1.705 1.00 0.00 ATOM 945 CD ARG A 129 26.388 31.004 -0.695 1.00 0.00 ATOM 946 NE ARG A 129 25.401 30.107 -0.097 1.00 0.00 ATOM 947 CZ ARG A 129 25.014 28.958 -0.640 1.00 0.00 ATOM 948 NH1 ARG A 129 24.110 28.207 -0.023 1.00 0.00 ATOM 949 NH2 ARG A 129 25.528 28.562 -1.794 1.00 0.00 ATOM 950 O ARG A 129 25.197 35.008 -1.531 1.00 0.00 ATOM 951 C ARG A 129 25.225 34.803 -2.745 1.00 0.00 ATOM 952 N PRO A 130 24.395 35.416 -3.571 1.00 0.00 ATOM 953 CA PRO A 130 23.360 36.393 -3.208 1.00 0.00 ATOM 954 CB PRO A 130 22.664 36.669 -4.539 1.00 0.00 ATOM 955 CG PRO A 130 23.725 36.419 -5.541 1.00 0.00 ATOM 956 CD PRO A 130 24.379 35.175 -5.026 1.00 0.00 ATOM 957 O PRO A 130 22.015 36.732 -1.289 1.00 0.00 ATOM 958 C PRO A 130 22.421 35.900 -2.097 1.00 0.00 ATOM 959 N VAL A 131 22.128 34.648 -2.061 1.00 0.00 ATOM 960 CA VAL A 131 21.236 34.144 -0.996 1.00 0.00 ATOM 961 CB VAL A 131 20.804 32.686 -1.321 1.00 0.00 ATOM 962 CG1 VAL A 131 21.983 31.737 -1.185 1.00 0.00 ATOM 963 CG2 VAL A 131 19.638 32.251 -0.447 1.00 0.00 ATOM 964 O VAL A 131 21.058 34.235 1.394 1.00 0.00 ATOM 965 C VAL A 131 21.801 34.265 0.417 1.00 0.00 ATOM 966 N ALA A 132 23.119 34.428 0.508 1.00 0.00 ATOM 967 CA ALA A 132 23.815 34.537 1.793 1.00 0.00 ATOM 968 CB ALA A 132 25.297 34.926 1.551 1.00 0.00 ATOM 969 O ALA A 132 23.100 36.692 2.523 1.00 0.00 ATOM 970 C ALA A 132 23.209 35.498 2.798 1.00 0.00 ATOM 971 N GLU A 133 22.645 35.047 4.259 1.00 0.00 ATOM 972 CA GLU A 133 22.064 35.863 5.324 1.00 0.00 ATOM 973 CB GLU A 133 20.759 36.479 4.725 1.00 0.00 ATOM 974 CG GLU A 133 20.043 37.552 5.536 1.00 0.00 ATOM 975 CD GLU A 133 20.906 38.735 5.954 1.00 0.00 ATOM 976 OE1 GLU A 133 21.374 39.496 5.116 1.00 0.00 ATOM 977 OE2 GLU A 133 21.104 38.911 7.150 1.00 0.00 ATOM 978 O GLU A 133 20.939 34.663 7.088 1.00 0.00 ATOM 979 C GLU A 133 21.918 35.329 6.746 1.00 0.00 ATOM 980 N PRO A 134 22.912 35.594 7.597 1.00 0.00 ATOM 981 CA PRO A 134 22.809 35.112 8.976 1.00 0.00 ATOM 982 CB PRO A 134 24.200 35.369 9.560 1.00 0.00 ATOM 983 CG PRO A 134 24.729 36.519 8.773 1.00 0.00 ATOM 984 CD PRO A 134 24.197 36.349 7.376 1.00 0.00 ATOM 985 O PRO A 134 21.504 37.071 9.450 1.00 0.00 ATOM 986 C PRO A 134 21.721 35.888 9.717 1.00 0.00 ATOM 987 N ASN A 135 21.022 35.222 10.634 1.00 0.00 ATOM 988 CA ASN A 135 19.951 35.887 11.371 1.00 0.00 ATOM 989 CB ASN A 135 19.258 34.900 12.311 1.00 0.00 ATOM 990 CG ASN A 135 18.400 33.892 11.571 1.00 0.00 ATOM 991 ND2 ASN A 135 18.013 32.827 12.263 1.00 0.00 ATOM 992 OD1 ASN A 135 18.094 34.072 10.392 1.00 0.00 ATOM 993 O ASN A 135 21.683 37.170 12.414 1.00 0.00 ATOM 994 C ASN A 135 20.467 37.011 12.277 1.00 0.00 ATOM 995 N LEU A 136 19.581 37.879 12.764 1.00 0.00 ATOM 996 CA LEU A 136 20.052 39.122 13.361 1.00 0.00 ATOM 997 CB LEU A 136 18.854 39.998 13.707 1.00 0.00 ATOM 998 CG LEU A 136 18.116 40.711 12.547 1.00 0.00 ATOM 999 CD1 LEU A 136 16.795 41.219 13.097 1.00 0.00 ATOM 1000 CD2 LEU A 136 18.928 41.839 11.933 1.00 0.00 ATOM 1001 O LEU A 136 21.924 39.507 14.816 1.00 0.00 ATOM 1002 C LEU A 136 20.933 38.816 14.574 1.00 0.00 ATOM 1003 N GLY A 137 20.590 37.763 15.314 1.00 0.00 ATOM 1004 CA GLY A 137 21.367 37.408 16.491 1.00 0.00 ATOM 1005 O GLY A 137 23.716 37.222 16.926 1.00 0.00 ATOM 1006 C GLY A 137 22.774 36.935 16.182 1.00 0.00 ATOM 1007 N PHE A 138 22.923 36.190 15.093 1.00 0.00 ATOM 1008 CA PHE A 138 24.240 35.689 14.713 1.00 0.00 ATOM 1009 CB PHE A 138 24.120 34.655 13.594 1.00 0.00 ATOM 1010 CG PHE A 138 23.615 33.319 14.056 1.00 0.00 ATOM 1011 CD1 PHE A 138 22.301 32.944 13.829 1.00 0.00 ATOM 1012 CD2 PHE A 138 24.451 32.434 14.716 1.00 0.00 ATOM 1013 CE1 PHE A 138 21.836 31.712 14.255 1.00 0.00 ATOM 1014 CE2 PHE A 138 23.986 31.205 15.141 1.00 0.00 ATOM 1015 CZ PHE A 138 22.684 30.843 14.914 1.00 0.00 ATOM 1016 O PHE A 138 26.356 36.810 14.446 1.00 0.00 ATOM 1017 C PHE A 138 25.137 36.835 14.249 1.00 0.00 ATOM 1018 N TRP A 139 24.514 37.835 13.641 1.00 0.00 ATOM 1019 CA TRP A 139 25.257 38.996 13.173 1.00 0.00 ATOM 1020 CB TRP A 139 24.336 39.955 12.416 1.00 0.00 ATOM 1021 CG TRP A 139 25.041 41.159 11.870 1.00 0.00 ATOM 1022 CD1 TRP A 139 25.711 41.250 10.684 1.00 0.00 ATOM 1023 CD2 TRP A 139 25.147 42.446 12.491 1.00 0.00 ATOM 1024 CE2 TRP A 139 25.894 43.267 11.623 1.00 0.00 ATOM 1025 CE3 TRP A 139 24.683 42.986 13.695 1.00 0.00 ATOM 1026 NE1 TRP A 139 26.228 42.511 10.525 1.00 0.00 ATOM 1027 CZ2 TRP A 139 26.188 44.597 11.922 1.00 0.00 ATOM 1028 CZ3 TRP A 139 24.976 44.305 13.985 1.00 0.00 ATOM 1029 CH2 TRP A 139 25.722 45.098 13.106 1.00 0.00 ATOM 1030 O TRP A 139 27.099 40.008 14.347 1.00 0.00 ATOM 1031 C TRP A 139 25.917 39.663 14.386 1.00 0.00 ATOM 1032 N ALA A 140 25.161 39.823 15.459 1.00 0.00 ATOM 1033 CA ALA A 140 25.681 40.433 16.685 1.00 0.00 ATOM 1034 CB ALA A 140 24.582 40.523 17.733 1.00 0.00 ATOM 1035 O ALA A 140 27.870 40.154 17.675 1.00 0.00 ATOM 1036 C ALA A 140 26.856 39.629 17.238 1.00 0.00 ATOM 1037 N GLN A 141 26.670 38.286 17.213 1.00 0.00 ATOM 1038 CA GLN A 141 27.717 37.403 17.681 1.00 0.00 ATOM 1039 CB GLN A 141 27.224 35.955 17.627 1.00 0.00 ATOM 1040 CG GLN A 141 26.126 35.636 18.627 1.00 0.00 ATOM 1041 CD GLN A 141 25.610 34.217 18.493 1.00 0.00 ATOM 1042 OE1 GLN A 141 26.044 33.467 17.617 1.00 0.00 ATOM 1043 NE2 GLN A 141 24.678 33.840 19.361 1.00 0.00 ATOM 1044 O GLN A 141 30.094 37.555 17.357 1.00 0.00 ATOM 1045 C GLN A 141 28.980 37.562 16.840 1.00 0.00 ATOM 1046 N LEU A 142 28.795 37.734 15.512 1.00 0.00 ATOM 1047 CA LEU A 142 29.909 37.968 14.628 1.00 0.00 ATOM 1048 CB LEU A 142 29.527 37.941 13.162 1.00 0.00 ATOM 1049 CG LEU A 142 29.024 36.542 12.712 1.00 0.00 ATOM 1050 CD1 LEU A 142 28.431 36.702 11.325 1.00 0.00 ATOM 1051 CD2 LEU A 142 30.179 35.547 12.752 1.00 0.00 ATOM 1052 O LEU A 142 31.769 39.469 14.955 1.00 0.00 ATOM 1053 C LEU A 142 30.547 39.315 14.984 1.00 0.00 ATOM 1054 N GLN A 143 29.712 40.283 15.336 1.00 0.00 ATOM 1055 CA GLN A 143 30.168 41.612 15.729 1.00 0.00 ATOM 1056 CB GLN A 143 28.976 42.495 16.109 1.00 0.00 ATOM 1057 CG GLN A 143 29.354 43.916 16.492 1.00 0.00 ATOM 1058 CD GLN A 143 28.148 44.765 16.844 1.00 0.00 ATOM 1059 OE1 GLN A 143 27.021 44.271 16.887 1.00 0.00 ATOM 1060 NE2 GLN A 143 28.383 46.047 17.098 1.00 0.00 ATOM 1061 O GLN A 143 32.181 42.062 16.962 1.00 0.00 ATOM 1062 C GLN A 143 31.095 41.486 16.938 1.00 0.00 ATOM 1063 N LYS A 144 30.637 40.744 17.948 1.00 0.00 ATOM 1064 CA LYS A 144 31.414 40.524 19.165 1.00 0.00 ATOM 1065 CB LYS A 144 30.673 39.574 20.107 1.00 0.00 ATOM 1066 CG LYS A 144 31.415 39.279 21.399 1.00 0.00 ATOM 1067 CD LYS A 144 30.607 38.361 22.303 1.00 0.00 ATOM 1068 CE LYS A 144 31.358 38.053 23.589 1.00 0.00 ATOM 1069 NZ LYS A 144 30.593 37.129 24.469 1.00 0.00 ATOM 1070 O LYS A 144 33.774 40.168 19.433 1.00 0.00 ATOM 1071 C LYS A 144 32.726 39.792 18.900 1.00 0.00 ATOM 1072 N TYR A 145 32.661 38.773 18.072 1.00 0.00 ATOM 1073 CA TYR A 145 33.857 38.004 17.728 1.00 0.00 ATOM 1074 CB TYR A 145 33.500 36.746 16.909 1.00 0.00 ATOM 1075 CG TYR A 145 34.712 36.064 16.371 1.00 0.00 ATOM 1076 CD1 TYR A 145 35.528 35.315 17.163 1.00 0.00 ATOM 1077 CD2 TYR A 145 35.056 36.135 15.015 1.00 0.00 ATOM 1078 CE1 TYR A 145 36.651 34.707 16.689 1.00 0.00 ATOM 1079 CE2 TYR A 145 36.164 35.543 14.549 1.00 0.00 ATOM 1080 CZ TYR A 145 36.975 34.829 15.350 1.00 0.00 ATOM 1081 OH TYR A 145 38.077 34.225 14.860 1.00 0.00 ATOM 1082 O TYR A 145 36.084 38.794 17.308 1.00 0.00 ATOM 1083 C TYR A 145 34.883 38.901 17.047 1.00 0.00 ATOM 1084 N GLU A 146 34.408 39.783 16.173 1.00 0.00 ATOM 1085 CA GLU A 146 35.313 40.673 15.475 1.00 0.00 ATOM 1086 CB GLU A 146 34.539 41.567 14.496 1.00 0.00 ATOM 1087 CG GLU A 146 35.429 42.152 13.406 1.00 0.00 ATOM 1088 CD GLU A 146 34.762 43.274 12.632 1.00 0.00 ATOM 1089 OE1 GLU A 146 33.533 43.204 12.419 1.00 0.00 ATOM 1090 OE2 GLU A 146 35.473 44.221 12.230 1.00 0.00 ATOM 1091 O GLU A 146 37.281 41.770 16.386 1.00 0.00 ATOM 1092 C GLU A 146 36.059 41.548 16.463 1.00 0.00 ATOM 1093 N GLN A 147 35.329 42.127 17.437 1.00 0.00 ATOM 1094 CA GLN A 147 36.028 42.970 18.414 1.00 0.00 ATOM 1095 CB GLN A 147 34.993 43.585 19.335 1.00 0.00 ATOM 1096 CG GLN A 147 34.083 44.595 18.659 1.00 0.00 ATOM 1097 CD GLN A 147 34.834 45.843 18.245 1.00 0.00 ATOM 1098 OE1 GLN A 147 35.325 46.588 19.090 1.00 0.00 ATOM 1099 NE2 GLN A 147 34.936 46.070 16.940 1.00 0.00 ATOM 1100 O GLN A 147 38.088 42.767 19.631 1.00 0.00 ATOM 1101 C GLN A 147 37.050 42.218 19.243 1.00 0.00 ATOM 1102 N THR A 148 36.742 40.974 19.561 1.00 0.00 ATOM 1103 CA THR A 148 37.687 40.141 20.325 1.00 0.00 ATOM 1104 CB THR A 148 37.079 38.776 20.685 1.00 0.00 ATOM 1105 CG2 THR A 148 38.099 37.921 21.399 1.00 0.00 ATOM 1106 OG1 THR A 148 35.955 38.995 21.537 1.00 0.00 ATOM 1107 O THR A 148 40.078 40.050 20.189 1.00 0.00 ATOM 1108 C THR A 148 39.005 39.937 19.592 1.00 0.00 ATOM 1109 N LEU A 149 38.930 39.660 18.286 1.00 0.00 ATOM 1110 CA LEU A 149 40.120 39.457 17.469 1.00 0.00 ATOM 1111 CB LEU A 149 39.597 39.725 15.912 1.00 0.00 ATOM 1112 CG LEU A 149 40.419 39.268 14.703 1.00 0.00 ATOM 1113 CD1 LEU A 149 40.209 37.778 14.500 1.00 0.00 ATOM 1114 CD2 LEU A 149 40.004 40.044 13.453 1.00 0.00 ATOM 1115 O LEU A 149 42.191 40.679 17.637 1.00 0.00 ATOM 1116 C LEU A 149 40.968 40.725 17.493 1.00 0.00 ATOM 1117 N GLN A 150 40.318 41.866 17.319 1.00 0.00 ATOM 1118 CA GLN A 150 41.074 43.110 17.282 1.00 0.00 ATOM 1119 CB GLN A 150 40.217 44.279 16.894 1.00 0.00 ATOM 1120 CG GLN A 150 40.938 45.618 16.901 1.00 0.00 ATOM 1121 CD GLN A 150 40.034 46.761 16.488 1.00 0.00 ATOM 1122 OE1 GLN A 150 39.027 47.030 17.137 1.00 0.00 ATOM 1123 NE2 GLN A 150 40.389 47.436 15.402 1.00 0.00 ATOM 1124 O GLN A 150 42.889 43.747 18.730 1.00 0.00 ATOM 1125 C GLN A 150 41.702 43.432 18.651 1.00 0.00 ATOM 1126 N ALA A 151 40.933 43.283 19.701 1.00 0.00 ATOM 1127 CA ALA A 151 41.412 43.533 21.061 1.00 0.00 ATOM 1128 CB ALA A 151 40.272 43.427 22.084 1.00 0.00 ATOM 1129 O ALA A 151 43.363 42.996 22.348 1.00 0.00 ATOM 1130 C ALA A 151 42.532 42.601 21.528 1.00 0.00 ATOM 1131 N GLN A 152 42.514 41.391 21.023 1.00 0.00 ATOM 1132 CA GLN A 152 43.538 40.423 21.406 1.00 0.00 ATOM 1133 CB GLN A 152 42.834 39.091 21.837 1.00 0.00 ATOM 1134 CG GLN A 152 41.772 39.386 22.879 1.00 0.00 ATOM 1135 CD GLN A 152 41.672 38.582 24.127 1.00 0.00 ATOM 1136 OE1 GLN A 152 42.306 38.851 25.151 1.00 0.00 ATOM 1137 NE2 GLN A 152 40.818 37.567 24.109 1.00 0.00 ATOM 1138 O GLN A 152 45.412 39.321 20.437 1.00 0.00 ATOM 1139 C GLN A 152 44.576 40.208 20.333 1.00 0.00 ATOM 1140 N ALA A 153 44.513 41.043 19.303 1.00 0.00 ATOM 1141 CA ALA A 153 45.478 40.973 18.219 1.00 0.00 ATOM 1142 CB ALA A 153 46.873 41.393 18.786 1.00 0.00 ATOM 1143 O ALA A 153 46.700 39.187 17.242 1.00 0.00 ATOM 1144 C ALA A 153 45.600 39.640 17.533 1.00 0.00 ATOM 1145 N ILE A 154 44.461 39.012 17.269 1.00 0.00 ATOM 1146 CA ILE A 154 44.506 37.701 16.614 1.00 0.00 ATOM 1147 CB ILE A 154 43.089 37.127 16.444 1.00 0.00 ATOM 1148 CG1 ILE A 154 42.518 36.797 17.824 1.00 0.00 ATOM 1149 CG2 ILE A 154 43.122 35.891 15.545 1.00 0.00 ATOM 1150 CD1 ILE A 154 41.036 36.450 17.828 1.00 0.00 ATOM 1151 O ILE A 154 46.004 36.970 14.859 1.00 0.00 ATOM 1152 C ILE A 154 45.150 37.767 15.218 1.00 0.00 ATOM 1153 N LEU A 155 44.696 38.711 14.403 1.00 0.00 ATOM 1154 CA LEU A 155 45.221 38.860 13.053 1.00 0.00 ATOM 1155 CB LEU A 155 44.476 40.003 12.326 1.00 0.00 ATOM 1156 CG LEU A 155 44.929 40.303 10.883 1.00 0.00 ATOM 1157 CD1 LEU A 155 44.707 39.125 9.972 1.00 0.00 ATOM 1158 CD2 LEU A 155 44.198 41.498 10.327 1.00 0.00 ATOM 1159 O LEU A 155 47.443 38.391 12.302 1.00 0.00 ATOM 1160 C LEU A 155 46.734 39.079 13.030 1.00 0.00 ATOM 1161 N PRO A 156 47.281 40.052 13.868 1.00 0.00 ATOM 1162 CA PRO A 156 48.736 40.277 13.909 1.00 0.00 ATOM 1163 CB PRO A 156 48.921 41.437 14.891 1.00 0.00 ATOM 1164 CG PRO A 156 47.614 42.166 14.801 1.00 0.00 ATOM 1165 CD PRO A 156 46.575 41.066 14.654 1.00 0.00 ATOM 1166 O PRO A 156 50.620 38.796 13.850 1.00 0.00 ATOM 1167 C PRO A 156 49.503 39.037 14.334 1.00 0.00 ATOM 1168 N ARG A 157 48.913 38.250 15.247 1.00 0.00 ATOM 1169 CA ARG A 157 49.620 37.032 15.692 1.00 0.00 ATOM 1170 CB ARG A 157 48.841 36.350 16.835 1.00 0.00 ATOM 1171 CG ARG A 157 48.805 37.154 18.123 1.00 0.00 ATOM 1172 CD ARG A 157 47.905 36.513 19.159 1.00 0.00 ATOM 1173 NE ARG A 157 48.120 37.120 20.474 1.00 0.00 ATOM 1174 CZ ARG A 157 47.382 36.868 21.560 1.00 0.00 ATOM 1175 NH1 ARG A 157 46.370 36.009 21.493 1.00 0.00 ATOM 1176 NH2 ARG A 157 47.668 37.473 22.713 1.00 0.00 ATOM 1177 O ARG A 157 50.865 35.485 14.334 1.00 0.00 ATOM 1178 C ARG A 157 49.811 36.106 14.498 1.00 0.00 ATOM 1179 N GLU A 158 48.751 36.034 13.634 1.00 0.00 ATOM 1180 CA GLU A 158 48.804 35.173 12.458 1.00 0.00 ATOM 1181 CB GLU A 158 47.482 35.208 11.698 1.00 0.00 ATOM 1182 CG GLU A 158 47.160 33.908 10.969 1.00 0.00 ATOM 1183 CD GLU A 158 46.824 32.748 11.919 1.00 0.00 ATOM 1184 OE1 GLU A 158 47.757 32.019 12.341 1.00 0.00 ATOM 1185 OE2 GLU A 158 45.623 32.560 12.235 1.00 0.00 ATOM 1186 O GLU A 158 50.797 34.783 11.189 1.00 0.00 ATOM 1187 C GLU A 158 49.919 35.585 11.503 1.00 0.00 ATOM 1188 N PRO A 159 49.962 36.878 10.983 1.00 0.00 ATOM 1189 CA PRO A 159 51.024 37.299 10.066 1.00 0.00 ATOM 1190 CB PRO A 159 50.641 38.740 9.722 1.00 0.00 ATOM 1191 CG PRO A 159 49.828 39.185 10.907 1.00 0.00 ATOM 1192 CD PRO A 159 48.997 37.969 11.212 1.00 0.00 ATOM 1193 O PRO A 159 53.391 36.877 10.038 1.00 0.00 ATOM 1194 C PRO A 159 52.403 37.169 10.713 1.00 0.00 ATOM 1195 N ILE A 160 52.478 37.344 12.071 1.00 0.00 ATOM 1196 CA ILE A 160 53.745 37.223 12.780 1.00 0.00 ATOM 1197 CB ILE A 160 53.645 37.615 14.252 1.00 0.00 ATOM 1198 CG1 ILE A 160 53.388 39.120 14.392 1.00 0.00 ATOM 1199 CG2 ILE A 160 54.918 37.202 14.990 1.00 0.00 ATOM 1200 CD1 ILE A 160 54.486 39.990 13.813 1.00 0.00 ATOM 1201 O ILE A 160 55.442 35.590 12.377 1.00 0.00 ATOM 1202 C ILE A 160 54.273 35.796 12.703 1.00 0.00 ATOM 1203 N ASP A 161 53.489 34.809 12.972 1.00 0.00 ATOM 1204 CA ASP A 161 53.800 33.387 12.986 1.00 0.00 ATOM 1205 CB ASP A 161 53.584 32.736 14.331 1.00 0.00 ATOM 1206 CG ASP A 161 54.208 31.361 14.440 1.00 0.00 ATOM 1207 OD1 ASP A 161 54.444 30.736 13.375 1.00 0.00 ATOM 1208 OD2 ASP A 161 54.510 30.891 15.573 1.00 0.00 ATOM 1209 O ASP A 161 51.653 32.528 12.333 1.00 0.00 ATOM 1210 C ASP A 161 52.806 32.792 11.993 1.00 0.00 ATOM 1211 N PRO A 162 53.252 32.620 10.758 1.00 0.00 ATOM 1212 CA PRO A 162 52.442 32.071 9.668 1.00 0.00 ATOM 1213 CB PRO A 162 53.429 31.761 8.579 1.00 0.00 ATOM 1214 CG PRO A 162 54.457 32.826 8.767 1.00 0.00 ATOM 1215 CD PRO A 162 54.649 32.818 10.262 1.00 0.00 ATOM 1216 O PRO A 162 50.492 30.653 9.792 1.00 0.00 ATOM 1217 C PRO A 162 51.717 30.767 9.986 1.00 0.00 ATOM 1218 N GLU A 163 52.492 29.810 10.507 1.00 0.00 ATOM 1219 CA GLU A 163 51.959 28.580 11.062 1.00 0.00 ATOM 1220 CB GLU A 163 53.048 27.584 11.442 1.00 0.00 ATOM 1221 CG GLU A 163 53.517 26.715 10.295 1.00 0.00 ATOM 1222 CD GLU A 163 54.480 25.639 10.747 1.00 0.00 ATOM 1223 OE1 GLU A 163 54.524 25.359 11.975 1.00 0.00 ATOM 1224 OE2 GLU A 163 55.193 25.079 9.879 1.00 0.00 ATOM 1225 O GLU A 163 51.414 29.944 12.929 1.00 0.00 ATOM 1226 C GLU A 163 51.133 28.898 12.294 1.00 0.00 ENDMDL EXPDTA 2hcmA MODEL 2 REMARK 44 REMARK 44 model 2 is called 2hcmA ATOM 1 N GLY 2 30.533 17.613 -20.991 1.00 0.00 ATOM 2 CA GLY 2 29.510 17.785 -22.005 1.00 0.00 ATOM 3 O GLY 2 30.730 19.188 -23.474 1.00 0.00 ATOM 4 C GLY 2 29.692 19.047 -22.825 1.00 0.00 ATOM 5 N THR 3 28.728 19.980 -22.838 1.00 0.00 ATOM 6 CA THR 3 27.421 20.025 -22.102 1.00 0.00 ATOM 7 CB THR 3 26.397 18.864 -22.411 1.00 0.00 ATOM 8 CG2 THR 3 26.479 18.414 -23.868 1.00 0.00 ATOM 9 OG1 THR 3 26.591 17.759 -21.514 1.00 0.00 ATOM 10 O THR 3 28.122 19.823 -19.780 1.00 0.00 ATOM 11 C THR 3 27.414 20.404 -20.607 1.00 0.00 ATOM 12 N SER 4 26.570 21.394 -20.305 1.00 0.00 ATOM 13 CA SER 4 26.384 21.967 -18.970 1.00 0.00 ATOM 14 CB SER 4 25.471 23.197 -19.065 1.00 0.00 ATOM 15 OG SER 4 24.124 22.808 -19.303 1.00 0.00 ATOM 16 O SER 4 25.228 19.936 -18.404 1.00 0.00 ATOM 17 C SER 4 25.745 20.981 -18.000 1.00 0.00 ATOM 18 N GLU 5 25.672 21.390 -16.735 1.00 0.00 ATOM 19 CA GLU 5 25.026 20.604 -15.688 1.00 0.00 ATOM 20 CB GLU 5 25.877 20.603 -14.417 1.00 0.00 ATOM 21 CG GLU 5 26.315 19.220 -13.964 1.00 0.00 ATOM 22 CD GLU 5 25.823 18.122 -14.886 1.00 0.00 ATOM 23 OE1 GLU 5 24.598 18.040 -15.115 1.00 0.00 ATOM 24 OE2 GLU 5 26.661 17.340 -15.383 1.00 0.00 ATOM 25 O GLU 5 23.619 22.425 -14.990 1.00 0.00 ATOM 26 C GLU 5 23.673 21.272 -15.415 1.00 0.00 ATOM 27 N ALA 6 22.587 20.550 -15.679 1.00 0.00 ATOM 28 CA ALA 6 21.240 21.075 -15.501 1.00 0.00 ATOM 29 CB ALA 6 20.207 19.999 -15.800 1.00 0.00 ATOM 30 O ALA 6 20.518 22.819 -14.029 1.00 0.00 ATOM 31 C ALA 6 20.988 21.686 -14.137 1.00 0.00 ATOM 32 N ALA 7 21.293 20.926 -13.096 1.00 0.00 ATOM 33 CA ALA 7 21.076 21.397 -11.736 1.00 0.00 ATOM 34 CB ALA 7 20.751 20.241 -10.781 1.00 0.00 ATOM 35 O ALA 7 23.442 21.682 -11.806 1.00 0.00 ATOM 36 C ALA 7 22.368 22.073 -11.334 1.00 0.00 ATOM 37 N PRO 8 22.281 23.103 -10.481 1.00 0.00 ATOM 38 CA PRO 8 23.532 23.780 -10.161 1.00 0.00 ATOM 39 CB PRO 8 23.059 25.082 -9.514 1.00 0.00 ATOM 40 CG PRO 8 21.734 24.722 -8.873 1.00 0.00 ATOM 41 CD PRO 8 21.120 23.683 -9.771 1.00 0.00 ATOM 42 O PRO 8 23.773 21.994 -8.598 1.00 0.00 ATOM 43 C PRO 8 24.335 22.916 -9.185 1.00 0.00 ATOM 44 N PRO 9 25.644 23.189 -9.021 1.00 0.00 ATOM 45 CA PRO 9 26.320 22.462 -7.951 1.00 0.00 ATOM 46 CB PRO 9 27.781 22.905 -8.102 1.00 0.00 ATOM 47 CG PRO 9 27.692 24.263 -8.736 1.00 0.00 ATOM 48 CD PRO 9 26.549 24.121 -9.714 1.00 0.00 ATOM 49 O PRO 9 25.291 24.081 -6.492 1.00 0.00 ATOM 50 C PRO 9 25.747 22.930 -6.605 1.00 0.00 ATOM 51 N PRO 10 25.743 22.048 -5.592 1.00 0.00 ATOM 52 CA PRO 10 25.195 22.453 -4.304 1.00 0.00 ATOM 53 CB PRO 10 24.853 21.114 -3.632 1.00 0.00 ATOM 54 CG PRO 10 25.829 20.143 -4.233 1.00 0.00 ATOM 55 CD PRO 10 26.195 20.646 -5.599 1.00 0.00 ATOM 56 O PRO 10 25.967 23.366 -2.231 1.00 0.00 ATOM 57 C PRO 10 26.152 23.286 -3.444 1.00 0.00 ATOM 58 N PHE 11 27.139 23.923 -4.076 1.00 0.00 ATOM 59 CA PHE 11 28.041 24.841 -3.384 1.00 0.00 ATOM 60 CB PHE 11 29.096 24.087 -2.556 1.00 0.00 ATOM 61 CG PHE 11 29.876 23.056 -3.335 1.00 0.00 ATOM 62 CD1 PHE 11 30.971 23.423 -4.104 1.00 0.00 ATOM 63 CD2 PHE 11 29.522 21.717 -3.278 1.00 0.00 ATOM 64 CE1 PHE 11 31.685 22.474 -4.821 1.00 0.00 ATOM 65 CE2 PHE 11 30.225 20.765 -3.985 1.00 0.00 ATOM 66 CZ PHE 11 31.314 21.139 -4.753 1.00 0.00 ATOM 67 O PHE 11 28.669 25.594 -5.577 1.00 0.00 ATOM 68 C PHE 11 28.725 25.791 -4.366 1.00 0.00 ATOM 69 N ALA 12 29.385 26.806 -3.821 1.00 0.00 ATOM 70 CA ALA 12 30.053 27.818 -4.616 1.00 0.00 ATOM 71 CB ALA 12 29.113 28.986 -4.878 1.00 0.00 ATOM 72 O ALA 12 31.346 28.322 -2.643 1.00 0.00 ATOM 73 C ALA 12 31.292 28.307 -3.877 1.00 0.00 ATOM 74 N ARG 13 32.275 28.736 -4.648 1.00 0.00 ATOM 75 CA ARG 13 33.549 29.163 -4.098 1.00 0.00 ATOM 76 CB ARG 13 34.620 29.089 -5.180 1.00 0.00 ATOM 77 CG ARG 13 36.033 29.436 -4.742 1.00 0.00 ATOM 78 CD ARG 13 36.905 29.338 -5.991 1.00 0.00 ATOM 79 NE ARG 13 38.300 29.717 -5.818 1.00 0.00 ATOM 80 CZ ARG 13 38.741 30.972 -5.750 1.00 0.00 ATOM 81 NH1 ARG 13 37.888 31.994 -5.800 1.00 0.00 ATOM 82 NH2 ARG 13 40.043 31.203 -5.613 1.00 0.00 ATOM 83 O ARG 13 32.955 31.466 -4.270 1.00 0.00 ATOM 84 C ARG 13 33.422 30.568 -3.566 1.00 0.00 ATOM 85 N VAL 14 33.820 30.736 -2.306 1.00 0.00 ATOM 86 CA VAL 14 33.823 32.025 -1.634 1.00 0.00 ATOM 87 CB VAL 14 33.471 31.847 -0.134 1.00 0.00 ATOM 88 CG1 VAL 14 33.575 33.153 0.640 1.00 0.00 ATOM 89 CG2 VAL 14 32.046 31.236 0.010 1.00 0.00 ATOM 90 O VAL 14 35.267 33.932 -1.975 1.00 0.00 ATOM 91 C VAL 14 35.186 32.705 -1.774 1.00 0.00 ATOM 92 N ALA 15 36.238 31.897 -1.658 1.00 0.00 ATOM 93 CA ALA 15 37.621 32.367 -1.646 1.00 0.00 ATOM 94 CB ALA 15 37.934 33.005 -0.293 1.00 0.00 ATOM 95 O ALA 15 37.966 30.035 -1.907 1.00 0.00 ATOM 96 C ALA 15 38.495 31.138 -1.895 1.00 0.00 ATOM 97 N PRO 16 39.822 31.306 -2.131 1.00 0.00 ATOM 98 CA PRO 16 40.664 30.107 -2.265 1.00 0.00 ATOM 99 CB PRO 16 42.090 30.672 -2.164 1.00 0.00 ATOM 100 CG PRO 16 41.970 32.028 -2.792 1.00 0.00 ATOM 101 CD PRO 16 40.610 32.541 -2.323 1.00 0.00 ATOM 102 O PRO 16 40.320 29.491 0.041 1.00 0.00 ATOM 103 C PRO 16 40.407 29.099 -1.134 1.00 0.00 ATOM 104 N ALA 17 40.242 27.834 -1.520 1.00 0.00 ATOM 105 CA ALA 17 40.051 26.698 -0.611 1.00 0.00 ATOM 106 CB ALA 17 41.340 26.426 0.202 1.00 0.00 ATOM 107 O ALA 17 38.706 26.055 1.293 1.00 0.00 ATOM 108 C ALA 17 38.815 26.784 0.304 1.00 0.00 ATOM 109 N LEU 18 37.871 27.658 -0.038 1.00 0.00 ATOM 110 CA LEU 18 36.694 27.857 0.803 1.00 0.00 ATOM 111 CB LEU 18 36.841 29.146 1.636 1.00 0.00 ATOM 112 CG LEU 18 35.621 29.499 2.504 1.00 0.00 ATOM 113 CD1 LEU 18 35.423 28.465 3.615 1.00 0.00 ATOM 114 CD2 LEU 18 35.704 30.905 3.102 1.00 0.00 ATOM 115 O LEU 18 35.242 28.721 -0.912 1.00 0.00 ATOM 116 C LEU 18 35.399 27.892 -0.016 1.00 0.00 ATOM 117 N PHE 19 34.476 26.991 0.310 1.00 0.00 ATOM 118 CA PHE 19 33.185 26.901 -0.376 1.00 0.00 ATOM 119 CB PHE 19 33.032 25.561 -1.131 1.00 0.00 ATOM 120 CG PHE 19 34.048 25.348 -2.217 1.00 0.00 ATOM 121 CD1 PHE 19 33.734 25.625 -3.538 1.00 0.00 ATOM 122 CD2 PHE 19 35.311 24.844 -1.921 1.00 0.00 ATOM 123 CE1 PHE 19 34.665 25.433 -4.555 1.00 0.00 ATOM 124 CE2 PHE 19 36.260 24.646 -2.931 1.00 0.00 ATOM 125 CZ PHE 19 35.940 24.939 -4.249 1.00 0.00 ATOM 126 O PHE 19 32.199 26.591 1.787 1.00 0.00 ATOM 127 C PHE 19 32.052 26.996 0.628 1.00 0.00 ATOM 128 N ILE 20 30.920 27.529 0.167 1.00 0.00 ATOM 129 CA ILE 20 29.686 27.562 0.949 1.00 0.00 ATOM 130 CB ILE 20 29.207 29.017 1.248 1.00 0.00 ATOM 131 CG1 ILE 20 27.994 29.004 2.195 1.00 0.00 ATOM 132 CG2 ILE 20 28.888 29.792 -0.058 1.00 0.00 ATOM 133 CD1 ILE 20 27.523 30.399 2.637 1.00 0.00 ATOM 134 O ILE 20 28.572 26.896 -1.064 1.00 0.00 ATOM 135 C ILE 20 28.617 26.815 0.167 1.00 0.00 ATOM 136 N GLY 21 27.752 26.099 0.876 1.00 0.00 ATOM 137 CA GLY 21 26.681 25.387 0.226 1.00 0.00 ATOM 138 O GLY 21 25.446 25.412 2.290 1.00 0.00 ATOM 139 C GLY 21 25.585 24.926 1.159 1.00 0.00 ATOM 140 N ASN 22 24.817 23.964 0.674 1.00 0.00 ATOM 141 CA ASN 22 23.700 23.419 1.419 1.00 0.00 ATOM 142 CB ASN 22 22.394 23.761 0.702 1.00 0.00 ATOM 143 CG ASN 22 22.302 23.092 -0.650 1.00 0.00 ATOM 144 ND2 ASN 22 22.620 23.835 -1.710 1.00 0.00 ATOM 145 OD1 ASN 22 21.950 21.926 -0.743 1.00 0.00 ATOM 146 O ASN 22 24.668 21.274 0.904 1.00 0.00 ATOM 147 C ASN 22 23.829 21.901 1.559 1.00 0.00 ATOM 148 N ALA 23 22.950 21.319 2.368 1.00 0.00 ATOM 149 CA ALA 23 23.019 19.895 2.720 1.00 0.00 ATOM 150 CB ALA 23 22.000 19.578 3.811 1.00 0.00 ATOM 151 O ALA 23 23.276 17.737 1.697 1.00 0.00 ATOM 152 C ALA 23 22.889 18.901 1.560 1.00 0.00 ATOM 153 N ARG 24 22.364 19.336 0.413 1.00 0.00 ATOM 154 CA ARG 24 22.336 18.447 -0.762 1.00 0.00 ATOM 155 CB ARG 24 21.473 19.019 -1.901 1.00 0.00 ATOM 156 CG ARG 24 20.047 19.355 -1.482 1.00 0.00 ATOM 157 CD ARG 24 19.295 18.152 -0.918 1.00 0.00 ATOM 158 NE ARG 24 19.073 17.109 -1.928 1.00 0.00 ATOM 159 CZ ARG 24 18.591 15.899 -1.652 1.00 0.00 ATOM 160 NH1 ARG 24 18.308 15.573 -0.394 1.00 0.00 ATOM 161 NH2 ARG 24 18.404 15.008 -2.625 1.00 0.00 ATOM 162 O ARG 24 23.919 17.127 -1.997 1.00 0.00 ATOM 163 C ARG 24 23.744 18.102 -1.270 1.00 0.00 ATOM 164 N ALA 25 24.733 18.897 -0.857 1.00 0.00 ATOM 165 CA ALA 25 26.150 18.607 -1.113 1.00 0.00 ATOM 166 CB ALA 25 27.035 19.766 -0.628 1.00 0.00 ATOM 167 O ALA 25 27.562 16.699 -0.999 1.00 0.00 ATOM 168 C ALA 25 26.633 17.309 -0.491 1.00 0.00 ATOM 169 N ALA 26 26.019 16.905 0.618 1.00 0.00 ATOM 170 CA ALA 26 26.441 15.710 1.346 1.00 0.00 ATOM 171 CB ALA 26 25.507 15.430 2.512 1.00 0.00 ATOM 172 O ALA 26 27.502 13.707 0.578 1.00 0.00 ATOM 173 C ALA 26 26.552 14.478 0.454 1.00 0.00 ATOM 174 N GLY 27 25.588 14.309 -0.446 1.00 0.00 ATOM 175 CA GLY 27 25.544 13.145 -1.323 1.00 0.00 ATOM 176 O GLY 27 26.367 12.365 -3.418 1.00 0.00 ATOM 177 C GLY 27 26.262 13.314 -2.648 1.00 0.00 ATOM 178 N ALA 28 26.759 14.521 -2.913 1.00 0.00 ATOM 179 CA ALA 28 27.445 14.827 -4.164 1.00 0.00 ATOM 180 CB ALA 28 27.323 16.300 -4.488 1.00 0.00 ATOM 181 O ALA 28 29.815 15.222 -4.322 1.00 0.00 ATOM 182 C ALA 28 28.914 14.399 -4.128 1.00 0.00 ATOM 183 N THR 29 29.127 13.104 -3.896 1.00 0.00 ATOM 184 CA THR 29 30.456 12.503 -3.740 1.00 0.00 ATOM 185 CB THR 29 30.354 10.966 -3.718 1.00 0.00 ATOM 186 CG2 THR 29 31.731 10.305 -3.566 1.00 0.00 ATOM 187 OG1 THR 29 29.521 10.575 -2.621 1.00 0.00 ATOM 188 O THR 29 32.527 13.455 -4.461 1.00 0.00 ATOM 189 C THR 29 31.454 12.957 -4.800 1.00 0.00 ATOM 190 N GLU 30 31.087 12.821 -6.074 1.00 0.00 ATOM 191 CA GLU 30 32.004 13.147 -7.172 1.00 0.00 ATOM 192 CB GLU 30 31.457 12.666 -8.520 1.00 0.00 ATOM 193 CG GLU 30 32.568 12.339 -9.523 1.00 0.00 ATOM 194 CD GLU 30 32.277 12.828 -10.936 1.00 0.00 ATOM 195 OE1 GLU 30 32.165 14.062 -11.131 1.00 0.00 ATOM 196 OE2 GLU 30 32.186 11.980 -11.854 1.00 0.00 ATOM 197 O GLU 30 33.523 14.968 -7.552 1.00 0.00 ATOM 198 C GLU 30 32.376 14.630 -7.250 1.00 0.00 ATOM 199 N LEU 31 31.414 15.508 -6.977 1.00 0.00 ATOM 200 CA LEU 31 31.676 16.949 -6.947 1.00 0.00 ATOM 201 CB LEU 31 30.377 17.752 -6.871 1.00 0.00 ATOM 202 CG LEU 31 29.436 17.633 -8.070 1.00 0.00 ATOM 203 CD1 LEU 31 28.262 18.591 -7.917 1.00 0.00 ATOM 204 CD2 LEU 31 30.186 17.890 -9.367 1.00 0.00 ATOM 205 O LEU 31 33.433 18.225 -5.949 1.00 0.00 ATOM 206 C LEU 31 32.588 17.343 -5.795 1.00 0.00 ATOM 207 N LEU 32 32.410 16.694 -4.644 1.00 0.00 ATOM 208 CA LEU 32 33.272 16.928 -3.486 1.00 0.00 ATOM 209 CB LEU 32 32.761 16.167 -2.260 1.00 0.00 ATOM 210 CG LEU 32 31.397 16.553 -1.671 1.00 0.00 ATOM 211 CD1 LEU 32 31.061 15.636 -0.501 1.00 0.00 ATOM 212 CD2 LEU 32 31.384 18.010 -1.233 1.00 0.00 ATOM 213 O LEU 32 35.632 17.312 -3.546 1.00 0.00 ATOM 214 C LEU 32 34.716 16.537 -3.790 1.00 0.00 ATOM 215 N VAL 33 34.908 15.342 -4.343 1.00 0.00 ATOM 216 CA VAL 33 36.249 14.868 -4.713 1.00 0.00 ATOM 217 CB VAL 33 36.246 13.358 -5.113 1.00 0.00 ATOM 218 CG1 VAL 33 37.653 12.876 -5.474 1.00 0.00 ATOM 219 CG2 VAL 33 35.703 12.513 -3.965 1.00 0.00 ATOM 220 O VAL 33 38.055 16.144 -5.680 1.00 0.00 ATOM 221 C VAL 33 36.884 15.751 -5.794 1.00 0.00 ATOM 222 N ARG 34 36.100 16.102 -6.808 1.00 0.00 ATOM 223 CA ARG 34 36.576 16.952 -7.905 1.00 0.00 ATOM 224 CB ARG 34 35.495 17.095 -8.976 1.00 0.00 ATOM 225 CG ARG 34 36.027 17.286 -10.385 1.00 0.00 ATOM 226 CD ARG 34 34.918 17.101 -11.406 1.00 0.00 ATOM 227 NE ARG 34 34.087 18.297 -11.545 1.00 0.00 ATOM 228 CZ ARG 34 32.847 18.297 -12.028 1.00 0.00 ATOM 229 NH1 ARG 34 32.171 19.437 -12.123 1.00 0.00 ATOM 230 NH2 ARG 34 32.274 17.160 -12.408 1.00 0.00 ATOM 231 O ARG 34 38.010 18.880 -7.966 1.00 0.00 ATOM 232 C ARG 34 37.031 18.338 -7.445 1.00 0.00 ATOM 233 N ALA 35 36.324 18.906 -6.467 1.00 0.00 ATOM 234 CA ALA 35 36.694 20.196 -5.904 1.00 0.00 ATOM 235 CB ALA 35 35.484 20.854 -5.245 1.00 0.00 ATOM 236 O ALA 35 38.348 21.114 -4.433 1.00 0.00 ATOM 237 C ALA 35 37.855 20.096 -4.914 1.00 0.00 ATOM 238 N GLY 36 38.290 18.875 -4.609 1.00 0.00 ATOM 239 CA GLY 36 39.351 18.659 -3.624 1.00 0.00 ATOM 240 O GLY 36 39.828 19.412 -1.397 1.00 0.00 ATOM 241 C GLY 36 38.967 19.052 -2.201 1.00 0.00 ATOM 242 N ILE 37 37.672 18.985 -1.898 1.00 0.00 ATOM 243 CA ILE 37 37.166 19.199 -0.544 1.00 0.00 ATOM 244 CB ILE 37 35.610 19.386 -0.555 1.00 0.00 ATOM 245 CG1 ILE 37 35.261 20.705 -1.262 1.00 0.00 ATOM 246 CG2 ILE 37 35.027 19.332 0.881 1.00 0.00 ATOM 247 CD1 ILE 37 33.855 20.773 -1.812 1.00 0.00 ATOM 248 O ILE 37 37.358 16.874 0.001 1.00 0.00 ATOM 249 C ILE 37 37.580 18.031 0.347 1.00 0.00 ATOM 250 N THR 38 38.219 18.344 1.471 1.00 0.00 ATOM 251 CA THR 38 38.667 17.336 2.433 1.00 0.00 ATOM 252 CB THR 38 40.190 17.428 2.682 1.00 0.00 ATOM 253 CG2 THR 38 40.970 17.244 1.365 1.00 0.00 ATOM 254 OG1 THR 38 40.513 18.698 3.276 1.00 0.00 ATOM 255 O THR 38 38.050 16.631 4.646 1.00 0.00 ATOM 256 C THR 38 37.955 17.490 3.777 1.00 0.00 ATOM 257 N LEU 39 37.275 18.611 3.961 1.00 0.00 ATOM 258 CA LEU 39 36.527 18.834 5.197 1.00 0.00 ATOM 259 CB LEU 39 37.329 19.679 6.199 1.00 0.00 ATOM 260 CG LEU 39 36.606 20.088 7.489 1.00 0.00 ATOM 261 CD1 LEU 39 36.218 18.866 8.370 1.00 0.00 ATOM 262 CD2 LEU 39 37.424 21.104 8.262 1.00 0.00 ATOM 263 O LEU 39 35.168 20.572 4.284 1.00 0.00 ATOM 264 C LEU 39 35.195 19.495 4.889 1.00 0.00 ATOM 265 N CYS 40 34.106 18.830 5.290 1.00 0.00 ATOM 266 CA CYS 40 32.787 19.436 5.289 1.00 0.00 ATOM 267 CB CYS 40 31.722 18.448 4.781 1.00 0.00 ATOM 268 SG CYS 40 31.854 18.096 3.022 1.00 0.00 ATOM 269 O CYS 40 32.493 19.043 7.634 1.00 0.00 ATOM 270 C CYS 40 32.455 19.850 6.713 1.00 0.00 ATOM 271 N VAL 41 32.171 21.132 6.889 1.00 0.00 ATOM 272 CA VAL 41 31.677 21.636 8.145 1.00 0.00 ATOM 273 CB VAL 41 32.286 23.009 8.476 1.00 0.00 ATOM 274 CG1 VAL 41 31.670 23.574 9.757 1.00 0.00 ATOM 275 CG2 VAL 41 33.837 22.884 8.613 1.00 0.00 ATOM 276 O VAL 41 29.604 22.539 7.314 1.00 0.00 ATOM 277 C VAL 41 30.158 21.687 8.017 1.00 0.00 ATOM 278 N ASN 42 29.505 20.740 8.689 1.00 0.00 ATOM 279 CA ASN 42 28.056 20.584 8.653 1.00 0.00 ATOM 280 CB ASN 42 27.744 19.090 8.724 1.00 0.00 ATOM 281 CG ASN 42 26.250 18.774 8.690 1.00 0.00 ATOM 282 ND2 ASN 42 25.948 17.487 8.655 1.00 0.00 ATOM 283 OD1 ASN 42 25.384 19.659 8.719 1.00 0.00 ATOM 284 O ASN 42 27.495 20.849 10.977 1.00 0.00 ATOM 285 C ASN 42 27.464 21.335 9.838 1.00 0.00 ATOM 286 N VAL 43 26.946 22.533 9.580 1.00 0.00 ATOM 287 CA VAL 43 26.419 23.375 10.643 1.00 0.00 ATOM 288 CB VAL 43 26.656 24.895 10.391 1.00 0.00 ATOM 289 CG1 VAL 43 26.353 25.689 11.639 1.00 0.00 ATOM 290 CG2 VAL 43 28.110 25.182 9.945 1.00 0.00 ATOM 291 O VAL 43 24.068 23.805 10.269 1.00 0.00 ATOM 292 C VAL 43 24.926 23.069 10.768 1.00 0.00 ATOM 293 N SER 44 24.630 21.952 11.417 1.00 0.00 ATOM 294 CA SER 44 23.254 21.540 11.648 1.00 0.00 ATOM 295 CB SER 44 22.654 20.955 10.375 1.00 0.00 ATOM 296 OG SER 44 23.080 19.619 10.181 1.00 0.00 ATOM 297 O SER 44 24.262 19.943 13.118 1.00 0.00 ATOM 298 C SER 44 23.221 20.479 12.719 1.00 0.00 ATOM 299 N ARG 45 22.022 20.138 13.162 1.00 0.00 ATOM 300 CA ARG 45 21.882 19.077 14.143 1.00 0.00 ATOM 301 CB ARG 45 20.863 19.464 15.218 1.00 0.00 ATOM 302 CG ARG 45 21.330 20.659 16.049 1.00 0.00 ATOM 303 CD ARG 45 20.355 21.037 17.149 1.00 0.00 ATOM 304 NE ARG 45 20.222 19.993 18.162 1.00 0.00 ATOM 305 CZ ARG 45 21.083 19.782 19.153 1.00 0.00 ATOM 306 NH1 ARG 45 22.170 20.537 19.287 1.00 0.00 ATOM 307 NH2 ARG 45 20.856 18.802 20.012 1.00 0.00 ATOM 308 O ARG 45 22.039 16.711 13.893 1.00 0.00 ATOM 309 C ARG 45 21.549 17.750 13.473 1.00 0.00 ATOM 310 N GLN 46 20.754 17.795 12.404 1.00 0.00 ATOM 311 CA GLN 46 20.258 16.575 11.766 1.00 0.00 ATOM 312 CB GLN 46 18.730 16.458 11.948 1.00 0.00 ATOM 313 CG GLN 46 18.179 16.857 13.314 1.00 0.00 ATOM 314 CD GLN 46 18.429 15.824 14.395 1.00 0.00 ATOM 315 OE1 GLN 46 18.726 14.659 14.109 1.00 0.00 ATOM 316 NE2 GLN 46 18.302 16.246 15.652 1.00 0.00 ATOM 317 O GLN 46 20.142 15.401 9.699 1.00 0.00 ATOM 318 C GLN 46 20.550 16.403 10.268 1.00 0.00 ATOM 319 N GLN 47 21.211 17.356 9.615 1.00 0.00 ATOM 320 CA GLN 47 21.458 17.203 8.168 1.00 0.00 ATOM 321 CB GLN 47 21.856 18.531 7.520 1.00 0.00 ATOM 322 CG GLN 47 20.767 19.606 7.633 1.00 0.00 ATOM 323 CD GLN 47 19.455 19.169 6.979 1.00 0.00 ATOM 324 OE1 GLN 47 19.432 18.795 5.817 1.00 0.00 ATOM 325 NE2 GLN 47 18.373 19.218 7.728 1.00 0.00 ATOM 326 O GLN 47 23.468 16.036 8.706 1.00 0.00 ATOM 327 C GLN 47 22.519 16.139 7.929 1.00 0.00 ATOM 328 N PRO 48 22.356 15.336 6.866 1.00 0.00 ATOM 329 CA PRO 48 23.322 14.270 6.614 1.00 0.00 ATOM 330 CB PRO 48 22.748 13.550 5.382 1.00 0.00 ATOM 331 CG PRO 48 21.857 14.562 4.725 1.00 0.00 ATOM 332 CD PRO 48 21.278 15.359 5.855 1.00 0.00 ATOM 333 O PRO 48 24.878 15.959 5.889 1.00 0.00 ATOM 334 C PRO 48 24.717 14.801 6.305 1.00 0.00 ATOM 335 N GLY 49 25.708 13.949 6.539 1.00 0.00 ATOM 336 CA GLY 49 27.077 14.255 6.219 1.00 0.00 ATOM 337 O GLY 49 26.753 12.610 4.518 1.00 0.00 ATOM 338 C GLY 49 27.486 13.494 4.984 1.00 0.00 ATOM 339 N PRO 50 28.673 13.809 4.461 1.00 0.00 ATOM 340 CA PRO 50 29.210 13.118 3.292 1.00 0.00 ATOM 341 CB PRO 50 30.434 13.963 2.933 1.00 0.00 ATOM 342 CG PRO 50 30.904 14.485 4.267 1.00 0.00 ATOM 343 CD PRO 50 29.610 14.828 4.978 1.00 0.00 ATOM 344 O PRO 50 29.852 11.306 4.759 1.00 0.00 ATOM 345 C PRO 50 29.619 11.667 3.597 1.00 0.00 ATOM 346 N ARG 51 29.674 10.842 2.557 1.00 0.00 ATOM 347 CA ARG 51 30.187 9.485 2.688 1.00 0.00 ATOM 348 CB ARG 51 29.041 8.463 2.614 1.00 0.00 ATOM 349 CG ARG 51 29.333 7.104 3.272 1.00 0.00 ATOM 350 CD ARG 51 28.718 6.951 4.670 1.00 0.00 ATOM 351 NE ARG 51 29.135 8.000 5.599 1.00 0.00 ATOM 352 CZ ARG 51 28.313 8.895 6.141 1.00 0.00 ATOM 353 NH1 ARG 51 27.014 8.874 5.863 1.00 0.00 ATOM 354 NH2 ARG 51 28.791 9.815 6.967 1.00 0.00 ATOM 355 O ARG 51 31.232 8.268 0.890 1.00 0.00 ATOM 356 C ARG 51 31.206 9.289 1.568 1.00 0.00 ATOM 357 N ALA 52 32.041 10.303 1.381 1.00 0.00 ATOM 358 CA ALA 52 32.997 10.334 0.299 1.00 0.00 ATOM 359 CB ALA 52 33.001 11.715 -0.345 1.00 0.00 ATOM 360 O ALA 52 34.741 10.403 1.939 1.00 0.00 ATOM 361 C ALA 52 34.382 9.987 0.831 1.00 0.00 ATOM 362 N PRO 53 35.171 9.230 0.041 1.00 0.00 ATOM 363 CA PRO 53 36.504 8.807 0.468 1.00 0.00 ATOM 364 CB PRO 53 36.973 7.892 -0.681 1.00 0.00 ATOM 365 CG PRO 53 35.722 7.532 -1.438 1.00 0.00 ATOM 366 CD PRO 53 34.848 8.737 -1.312 1.00 0.00 ATOM 367 O PRO 53 37.505 10.824 -0.320 1.00 0.00 ATOM 368 C PRO 53 37.444 9.995 0.589 1.00 0.00 ATOM 369 N GLY 54 38.158 10.079 1.708 1.00 0.00 ATOM 370 CA GLY 54 39.114 11.167 1.951 1.00 0.00 ATOM 371 O GLY 54 39.165 13.513 2.443 1.00 0.00 ATOM 372 C GLY 54 38.480 12.482 2.383 1.00 0.00 ATOM 373 N VAL 55 37.175 12.460 2.677 1.00 0.00 ATOM 374 CA VAL 55 36.455 13.669 3.106 1.00 0.00 ATOM 375 CB VAL 55 35.208 13.954 2.222 1.00 0.00 ATOM 376 CG1 VAL 55 34.509 15.256 2.663 1.00 0.00 ATOM 377 CG2 VAL 55 35.607 14.052 0.765 1.00 0.00 ATOM 378 O VAL 55 35.228 12.673 4.897 1.00 0.00 ATOM 379 C VAL 55 36.029 13.538 4.562 1.00 0.00 ATOM 380 N ALA 56 36.587 14.388 5.425 1.00 0.00 ATOM 381 CA ALA 56 36.236 14.404 6.843 1.00 0.00 ATOM 382 CB ALA 56 37.387 15.001 7.664 1.00 0.00 ATOM 383 O ALA 56 34.722 16.172 6.287 1.00 0.00 ATOM 384 C ALA 56 34.977 15.238 7.048 1.00 0.00 ATOM 385 N GLU 57 34.193 14.903 8.072 1.00 0.00 ATOM 386 CA GLU 57 33.076 15.755 8.463 1.00 0.00 ATOM 387 CB GLU 57 31.720 15.029 8.313 1.00 0.00 ATOM 388 CG GLU 57 30.511 15.866 8.827 1.00 0.00 ATOM 389 CD GLU 57 29.194 15.085 8.863 1.00 0.00 ATOM 390 OE1 GLU 57 29.220 13.877 8.568 1.00 0.00 ATOM 391 OE2 GLU 57 28.139 15.679 9.197 1.00 0.00 ATOM 392 O GLU 57 33.655 15.468 10.770 1.00 0.00 ATOM 393 C GLU 57 33.256 16.232 9.894 1.00 0.00 ATOM 394 N LEU 58 32.969 17.509 10.117 1.00 0.00 ATOM 395 CA LEU 58 32.832 18.027 11.463 1.00 0.00 ATOM 396 CB LEU 58 33.945 19.040 11.784 1.00 0.00 ATOM 397 CG LEU 58 35.322 18.455 12.082 1.00 0.00 ATOM 398 CD1 LEU 58 36.285 19.575 12.410 1.00 0.00 ATOM 399 CD2 LEU 58 35.265 17.468 13.234 1.00 0.00 ATOM 400 O LEU 58 31.175 19.586 10.796 1.00 0.00 ATOM 401 C LEU 58 31.482 18.684 11.566 1.00 0.00 ATOM 402 N ARG 59 30.668 18.222 12.510 1.00 0.00 ATOM 403 CA ARG 59 29.348 18.785 12.684 1.00 0.00 ATOM 404 CB ARG 59 28.314 17.666 12.882 1.00 0.00 ATOM 405 CG ARG 59 26.881 18.162 12.971 1.00 0.00 ATOM 406 CD ARG 59 25.931 17.049 13.414 1.00 0.00 ATOM 407 NE ARG 59 25.936 15.958 12.437 1.00 0.00 ATOM 408 CZ ARG 59 25.029 15.803 11.473 1.00 0.00 ATOM 409 NH1 ARG 59 24.018 16.660 11.350 1.00 0.00 ATOM 410 NH2 ARG 59 25.128 14.779 10.630 1.00 0.00 ATOM 411 O ARG 59 29.825 19.567 14.917 1.00 0.00 ATOM 412 C ARG 59 29.321 19.810 13.819 1.00 0.00 ATOM 413 N VAL 60 28.745 20.968 13.513 1.00 0.00 ATOM 414 CA VAL 60 28.559 22.062 14.442 1.00 0.00 ATOM 415 CB VAL 60 29.062 23.394 13.839 1.00 0.00 ATOM 416 CG1 VAL 60 28.984 24.523 14.875 1.00 0.00 ATOM 417 CG2 VAL 60 30.495 23.244 13.288 1.00 0.00 ATOM 418 O VAL 60 26.307 22.771 13.997 1.00 0.00 ATOM 419 C VAL 60 27.053 22.139 14.739 1.00 0.00 ATOM 420 N PRO 61 26.602 21.468 15.818 1.00 0.00 ATOM 421 CA PRO 61 25.179 21.191 16.028 1.00 0.00 ATOM 422 CB PRO 61 25.190 19.989 16.997 1.00 0.00 ATOM 423 CG PRO 61 26.672 19.647 17.242 1.00 0.00 ATOM 424 CD PRO 61 27.422 20.895 16.893 1.00 0.00 ATOM 425 O PRO 61 24.000 22.295 17.789 1.00 0.00 ATOM 426 C PRO 61 24.398 22.353 16.629 1.00 0.00 ATOM 427 N VAL 62 24.192 23.407 15.845 1.00 0.00 ATOM 428 CA VAL 62 23.448 24.578 16.310 1.00 0.00 ATOM 429 CB VAL 62 24.306 25.886 16.270 1.00 0.00 ATOM 430 CG1 VAL 62 25.461 25.802 17.249 1.00 0.00 ATOM 431 CG2 VAL 62 24.858 26.155 14.885 1.00 0.00 ATOM 432 O VAL 62 22.133 24.460 14.309 1.00 0.00 ATOM 433 C VAL 62 22.164 24.751 15.513 1.00 0.00 ATOM 434 N PHE 63 21.106 25.195 16.196 1.00 0.00 ATOM 435 CA PHE 63 19.847 25.581 15.548 1.00 0.00 ATOM 436 CB PHE 63 18.717 25.837 16.568 1.00 0.00 ATOM 437 CG PHE 63 18.358 24.673 17.445 1.00 0.00 ATOM 438 CD1 PHE 63 17.247 23.897 17.159 1.00 0.00 ATOM 439 CD2 PHE 63 19.072 24.410 18.610 1.00 0.00 ATOM 440 CE1 PHE 63 16.881 22.848 17.992 1.00 0.00 ATOM 441 CE2 PHE 63 18.722 23.357 19.443 1.00 0.00 ATOM 442 CZ PHE 63 17.621 22.573 19.131 1.00 0.00 ATOM 443 O PHE 63 20.878 27.730 15.366 1.00 0.00 ATOM 444 C PHE 63 20.078 26.927 14.881 1.00 0.00 ATOM 445 N ASP 64 19.337 27.207 13.811 1.00 0.00 ATOM 446 CA ASP 64 19.351 28.548 13.249 1.00 0.00 ATOM 447 CB ASP 64 19.015 28.530 11.759 1.00 0.00 ATOM 448 CG ASP 64 19.052 29.910 11.137 1.00 0.00 ATOM 449 OD1 ASP 64 19.823 30.772 11.617 1.00 0.00 ATOM 450 OD2 ASP 64 18.312 30.139 10.161 1.00 0.00 ATOM 451 O ASP 64 17.227 29.617 13.586 1.00 0.00 ATOM 452 C ASP 64 18.358 29.414 14.021 1.00 0.00 ATOM 453 N ASP 65 18.802 29.919 15.168 1.00 0.00 ATOM 454 CA ASP 65 17.981 30.750 16.029 1.00 0.00 ATOM 455 CB ASP 65 17.347 29.903 17.143 1.00 0.00 ATOM 456 CG ASP 65 16.231 30.635 17.869 1.00 0.00 ATOM 457 OD1 ASP 65 16.520 31.572 18.645 1.00 0.00 ATOM 458 OD2 ASP 65 15.057 30.274 17.654 1.00 0.00 ATOM 459 O ASP 65 19.976 31.539 17.056 1.00 0.00 ATOM 460 C ASP 65 18.867 31.829 16.617 1.00 0.00 ATOM 461 N PRO 66 18.397 33.085 16.606 1.00 0.00 ATOM 462 CA PRO 66 19.146 34.213 17.158 1.00 0.00 ATOM 463 CB PRO 66 18.152 35.380 17.060 1.00 0.00 ATOM 464 CG PRO 66 16.822 34.750 16.802 1.00 0.00 ATOM 465 CD PRO 66 17.118 33.524 16.022 1.00 0.00 ATOM 466 O PRO 66 20.606 34.640 19.002 1.00 0.00 ATOM 467 C PRO 66 19.611 34.033 18.606 1.00 0.00 ATOM 468 N ALA 67 18.904 33.203 19.375 1.00 0.00 ATOM 469 CA ALA 67 19.256 32.941 20.772 1.00 0.00 ATOM 470 CB ALA 67 18.015 32.582 21.580 1.00 0.00 ATOM 471 O ALA 67 20.864 31.655 22.008 1.00 0.00 ATOM 472 C ALA 67 20.319 31.851 20.919 1.00 0.00 ATOM 473 N GLU 68 20.597 31.135 19.833 1.00 0.00 ATOM 474 CA GLU 68 21.611 30.094 19.854 1.00 0.00 ATOM 475 CB GLU 68 21.503 29.178 18.632 1.00 0.00 ATOM 476 CG GLU 68 20.825 27.851 18.918 1.00 0.00 ATOM 477 CD GLU 68 21.790 26.808 19.479 1.00 0.00 ATOM 478 OE1 GLU 68 21.757 25.663 18.989 1.00 0.00 ATOM 479 OE2 GLU 68 22.593 27.128 20.390 1.00 0.00 ATOM 480 O GLU 68 23.314 31.759 19.479 1.00 0.00 ATOM 481 C GLU 68 23.020 30.668 19.975 1.00 0.00 ATOM 482 N ASP 69 23.875 29.911 20.646 1.00 0.00 ATOM 483 CA ASP 69 25.245 30.315 20.891 1.00 0.00 ATOM 484 CB ASP 69 25.699 29.852 22.269 1.00 0.00 ATOM 485 CG ASP 69 27.078 30.364 22.630 1.00 0.00 ATOM 486 OD1 ASP 69 27.639 31.216 21.904 1.00 0.00 ATOM 487 OD2 ASP 69 27.610 29.899 23.648 1.00 0.00 ATOM 488 O ASP 69 26.913 28.800 20.007 1.00 0.00 ATOM 489 C ASP 69 26.176 29.782 19.807 1.00 0.00 ATOM 490 N LEU 70 26.138 30.444 18.656 1.00 0.00 ATOM 491 CA LEU 70 27.115 30.191 17.613 1.00 0.00 ATOM 492 CB LEU 70 26.701 30.854 16.294 1.00 0.00 ATOM 493 CG LEU 70 27.652 30.668 15.100 1.00 0.00 ATOM 494 CD1 LEU 70 27.728 29.203 14.640 1.00 0.00 ATOM 495 CD2 LEU 70 27.241 31.551 13.945 1.00 0.00 ATOM 496 O LEU 70 29.487 29.990 17.716 1.00 0.00 ATOM 497 C LEU 70 28.505 30.658 18.027 1.00 0.00 ATOM 498 N LEU 71 28.580 31.781 18.747 1.00 0.00 ATOM 499 CA LEU 71 29.861 32.413 19.101 1.00 0.00 ATOM 500 CB LEU 71 29.653 33.588 20.080 1.00 0.00 ATOM 501 CG LEU 71 30.922 34.331 20.523 1.00 0.00 ATOM 502 CD1 LEU 71 31.698 34.933 19.322 1.00 0.00 ATOM 503 CD2 LEU 71 30.628 35.413 21.565 1.00 0.00 ATOM 504 O LEU 71 32.065 31.491 19.263 1.00 0.00 ATOM 505 C LEU 71 30.907 31.468 19.686 1.00 0.00 ATOM 506 N THR 72 30.506 30.654 20.662 1.00 0.00 ATOM 507 CA THR 72 31.436 29.754 21.343 1.00 0.00 ATOM 508 CB THR 72 30.762 29.090 22.567 1.00 0.00 ATOM 509 CG2 THR 72 31.774 28.339 23.423 1.00 0.00 ATOM 510 OG1 THR 72 30.146 30.106 23.365 1.00 0.00 ATOM 511 O THR 72 33.132 28.223 20.584 1.00 0.00 ATOM 512 C THR 72 32.013 28.703 20.386 1.00 0.00 ATOM 513 N HIS 73 31.245 28.356 19.356 1.00 0.00 ATOM 514 CA HIS 73 31.700 27.394 18.353 1.00 0.00 ATOM 515 CB HIS 73 30.514 26.819 17.567 1.00 0.00 ATOM 516 CG HIS 73 29.568 26.012 18.402 1.00 0.00 ATOM 517 CD2 HIS 73 29.436 24.671 18.557 1.00 0.00 ATOM 518 ND1 HIS 73 28.580 26.587 19.175 1.00 0.00 ATOM 519 CE1 HIS 73 27.896 25.636 19.792 1.00 0.00 ATOM 520 NE2 HIS 73 28.396 24.464 19.433 1.00 0.00 ATOM 521 O HIS 73 33.442 27.241 16.735 1.00 0.00 ATOM 522 C HIS 73 32.693 27.986 17.359 1.00 0.00 ATOM 523 N LEU 74 32.687 29.311 17.191 1.00 0.00 ATOM 524 CA LEU 74 33.432 29.942 16.085 1.00 0.00 ATOM 525 CB LEU 74 33.120 31.445 15.972 1.00 0.00 ATOM 526 CG LEU 74 31.676 31.804 15.603 1.00 0.00 ATOM 527 CD1 LEU 74 31.587 33.341 15.493 1.00 0.00 ATOM 528 CD2 LEU 74 31.252 31.149 14.281 1.00 0.00 ATOM 529 O LEU 74 35.500 29.282 15.061 1.00 0.00 ATOM 530 C LEU 74 34.941 29.708 16.079 1.00 0.00 ATOM 531 N GLU 75 35.611 30.027 17.186 1.00 0.00 ATOM 532 CA GLU 75 37.068 29.856 17.237 1.00 0.00 ATOM 533 CB GLU 75 37.668 30.431 18.534 1.00 0.00 ATOM 534 CG GLU 75 39.205 30.398 18.605 1.00 0.00 ATOM 535 CD GLU 75 39.890 31.242 17.530 1.00 0.00 ATOM 536 OE1 GLU 75 39.379 32.330 17.153 1.00 0.00 ATOM 537 OE2 GLU 75 40.957 30.805 17.060 1.00 0.00 ATOM 538 O GLU 75 38.338 28.173 16.055 1.00 0.00 ATOM 539 C GLU 75 37.517 28.388 16.952 1.00 0.00 ATOM 540 N PRO 76 36.983 27.388 17.688 1.00 0.00 ATOM 541 CA PRO 76 37.423 26.019 17.310 1.00 0.00 ATOM 542 CB PRO 76 36.771 25.105 18.357 1.00 0.00 ATOM 543 CG PRO 76 36.087 25.996 19.350 1.00 0.00 ATOM 544 CD PRO 76 36.051 27.395 18.836 1.00 0.00 ATOM 545 O PRO 76 37.807 24.916 15.208 1.00 0.00 ATOM 546 C PRO 76 37.020 25.575 15.890 1.00 0.00 ATOM 547 N THR 77 35.820 25.945 15.442 1.00 0.00 ATOM 548 CA THR 77 35.413 25.617 14.072 1.00 0.00 ATOM 549 CB THR 77 33.963 26.002 13.790 1.00 0.00 ATOM 550 CG2 THR 77 33.580 25.611 12.358 1.00 0.00 ATOM 551 OG1 THR 77 33.121 25.299 14.705 1.00 0.00 ATOM 552 O THR 77 36.796 25.528 12.124 1.00 0.00 ATOM 553 C THR 77 36.336 26.229 13.023 1.00 0.00 ATOM 554 N CYS 78 36.624 27.526 13.151 1.00 0.00 ATOM 555 CA CYS 78 37.536 28.199 12.213 1.00 0.00 ATOM 556 CB CYS 78 37.580 29.700 12.496 1.00 0.00 ATOM 557 SG CYS 78 36.002 30.537 12.073 1.00 0.00 ATOM 558 O CYS 78 39.639 27.606 11.186 1.00 0.00 ATOM 559 C CYS 78 38.961 27.610 12.214 1.00 0.00 ATOM 560 N ALA 79 39.408 27.136 13.372 1.00 0.00 ATOM 561 CA ALA 79 40.721 26.501 13.499 1.00 0.00 ATOM 562 CB ALA 79 41.072 26.322 14.939 1.00 0.00 ATOM 563 O ALA 79 41.794 24.879 12.134 1.00 0.00 ATOM 564 C ALA 79 40.793 25.167 12.772 1.00 0.00 ATOM 565 N ALA 80 39.741 24.350 12.889 1.00 0.00 ATOM 566 CA ALA 80 39.631 23.108 12.125 1.00 0.00 ATOM 567 CB ALA 80 38.318 22.370 12.485 1.00 0.00 ATOM 568 O ALA 80 40.390 22.755 9.873 1.00 0.00 ATOM 569 C ALA 80 39.674 23.413 10.629 1.00 0.00 ATOM 570 N MET 81 38.907 24.419 10.207 1.00 0.00 ATOM 571 CA MET 81 38.905 24.849 8.806 1.00 0.00 ATOM 572 CB MET 81 37.919 25.987 8.588 1.00 0.00 ATOM 573 CG MET 81 36.470 25.576 8.792 1.00 0.00 ATOM 574 SD MET 81 35.328 26.985 8.840 1.00 0.00 ATOM 575 CE MET 81 35.463 27.621 7.168 1.00 0.00 ATOM 576 O MET 81 40.766 24.760 7.293 1.00 0.00 ATOM 577 C MET 81 40.302 25.250 8.322 1.00 0.00 ATOM 578 N GLU 82 40.984 26.104 9.086 1.00 0.00 ATOM 579 CA GLU 82 42.319 26.561 8.687 1.00 0.00 ATOM 580 CB GLU 82 42.821 27.676 9.613 1.00 0.00 ATOM 581 CG GLU 82 44.219 28.248 9.246 1.00 0.00 ATOM 582 CD GLU 82 44.287 28.845 7.841 1.00 0.00 ATOM 583 OE1 GLU 82 43.237 29.174 7.246 1.00 0.00 ATOM 584 OE2 GLU 82 45.409 28.992 7.319 1.00 0.00 ATOM 585 O GLU 82 44.152 25.365 7.685 1.00 0.00 ATOM 586 C GLU 82 43.328 25.414 8.605 1.00 0.00 ATOM 587 N ALA 83 43.252 24.481 9.550 1.00 0.00 ATOM 588 CA ALA 83 44.136 23.311 9.527 1.00 0.00 ATOM 589 CB ALA 83 43.971 22.484 10.786 1.00 0.00 ATOM 590 O ALA 83 44.899 22.017 7.653 1.00 0.00 ATOM 591 C ALA 83 43.926 22.451 8.273 1.00 0.00 ATOM 592 N ALA 84 42.673 22.213 7.885 1.00 0.00 ATOM 593 CA ALA 84 42.398 21.473 6.646 1.00 0.00 ATOM 594 CB ALA 84 40.904 21.216 6.495 1.00 0.00 ATOM 595 O ALA 84 43.539 21.630 4.506 1.00 0.00 ATOM 596 C ALA 84 42.946 22.229 5.413 1.00 0.00 ATOM 597 N VAL 85 42.748 23.545 5.412 1.00 0.00 ATOM 598 CA VAL 85 43.208 24.419 4.322 1.00 0.00 ATOM 599 CB VAL 85 42.631 25.865 4.486 1.00 0.00 ATOM 600 CG1 VAL 85 43.375 26.885 3.617 1.00 0.00 ATOM 601 CG2 VAL 85 41.128 25.871 4.166 1.00 0.00 ATOM 602 O VAL 85 45.294 24.277 3.143 1.00 0.00 ATOM 603 C VAL 85 44.735 24.432 4.228 1.00 0.00 ATOM 604 N ARG 86 45.406 24.583 5.368 1.00 0.00 ATOM 605 CA ARG 86 46.867 24.663 5.365 1.00 0.00 ATOM 606 CB ARG 86 47.409 25.218 6.695 1.00 0.00 ATOM 607 CG ARG 86 48.490 26.256 6.448 1.00 0.00 ATOM 608 CD ARG 86 48.863 27.007 7.667 1.00 0.00 ATOM 609 NE ARG 86 47.945 28.102 7.965 1.00 0.00 ATOM 610 CZ ARG 86 48.140 28.987 8.938 1.00 0.00 ATOM 611 NH1 ARG 86 49.226 28.911 9.706 1.00 0.00 ATOM 612 NH2 ARG 86 47.263 29.955 9.134 1.00 0.00 ATOM 613 O ARG 86 48.611 23.276 4.438 1.00 0.00 ATOM 614 C ARG 86 47.515 23.321 4.993 1.00 0.00 ATOM 615 N ASP 87 46.806 22.231 5.265 1.00 0.00 ATOM 616 CA ASP 87 47.219 20.910 4.814 1.00 0.00 ATOM 617 CB ASP 87 46.602 19.850 5.730 1.00 0.00 ATOM 618 CG ASP 87 47.406 18.565 5.776 1.00 0.00 ATOM 619 OD1 ASP 87 48.632 18.591 5.519 1.00 0.00 ATOM 620 OD2 ASP 87 46.803 17.522 6.093 1.00 0.00 ATOM 621 O ASP 87 47.175 19.568 2.784 1.00 0.00 ATOM 622 C ASP 87 46.881 20.643 3.320 1.00 0.00 ATOM 623 N GLY 88 46.276 21.623 2.648 1.00 0.00 ATOM 624 CA GLY 88 46.072 21.533 1.201 1.00 0.00 ATOM 625 O GLY 88 44.438 21.195 -0.501 1.00 0.00 ATOM 626 C GLY 88 44.682 21.201 0.704 1.00 0.00 ATOM 627 N GLY 89 43.759 20.929 1.615 1.00 0.00 ATOM 628 CA GLY 89 42.408 20.583 1.185 1.00 0.00 ATOM 629 O GLY 89 41.970 22.930 1.411 1.00 0.00 ATOM 630 C GLY 89 41.558 21.829 1.036 1.00 0.00 ATOM 631 N SER 90 40.359 21.652 0.491 1.00 0.00 ATOM 632 CA SER 90 39.381 22.728 0.487 1.00 0.00 ATOM 633 CB SER 90 38.802 22.906 -0.920 1.00 0.00 ATOM 634 OG SER 90 39.804 23.434 -1.768 1.00 0.00 ATOM 635 O SER 90 37.993 21.273 1.824 1.00 0.00 ATOM 636 C SER 90 38.290 22.435 1.509 1.00 0.00 ATOM 637 N CYS 91 37.715 23.497 2.052 1.00 0.00 ATOM 638 CA CYS 91 36.695 23.329 3.045 1.00 0.00 ATOM 639 CB CYS 91 37.054 24.125 4.298 1.00 0.00 ATOM 640 SG CYS 91 35.898 23.903 5.613 1.00 0.00 ATOM 641 O CYS 91 35.215 24.824 1.916 1.00 0.00 ATOM 642 C CYS 91 35.343 23.758 2.496 1.00 0.00 ATOM 643 N LEU 92 34.341 22.902 2.692 1.00 0.00 ATOM 644 CA LEU 92 32.968 23.277 2.374 1.00 0.00 ATOM 645 CB LEU 92 32.284 22.203 1.520 1.00 0.00 ATOM 646 CG LEU 92 30.754 22.302 1.372 1.00 0.00 ATOM 647 CD1 LEU 92 30.322 23.584 0.640 1.00 0.00 ATOM 648 CD2 LEU 92 30.230 21.058 0.655 1.00 0.00 ATOM 649 O LEU 92 32.216 22.566 4.527 1.00 0.00 ATOM 650 C LEU 92 32.210 23.457 3.683 1.00 0.00 ATOM 651 N VAL 93 31.572 24.611 3.851 1.00 0.00 ATOM 652 CA VAL 93 30.740 24.872 5.005 1.00 0.00 ATOM 653 CB VAL 93 30.947 26.280 5.601 1.00 0.00 ATOM 654 CG1 VAL 93 30.083 26.471 6.846 1.00 0.00 ATOM 655 CG2 VAL 93 32.396 26.527 5.962 1.00 0.00 ATOM 656 O VAL 93 28.954 25.576 3.587 1.00 0.00 ATOM 657 C VAL 93 29.309 24.819 4.484 1.00 0.00 ATOM 658 N TYR 94 28.492 23.923 5.026 1.00 0.00 ATOM 659 CA TYR 94 27.088 23.907 4.642 1.00 0.00 ATOM 660 CB TYR 94 26.804 22.798 3.621 1.00 0.00 ATOM 661 CG TYR 94 26.892 21.359 4.108 1.00 0.00 ATOM 662 CD1 TYR 94 25.845 20.770 4.825 1.00 0.00 ATOM 663 CD2 TYR 94 27.986 20.564 3.775 1.00 0.00 ATOM 664 CE1 TYR 94 25.905 19.440 5.232 1.00 0.00 ATOM 665 CE2 TYR 94 28.057 19.225 4.182 1.00 0.00 ATOM 666 CZ TYR 94 27.019 18.676 4.922 1.00 0.00 ATOM 667 OH TYR 94 27.088 17.343 5.318 1.00 0.00 ATOM 668 O TYR 94 26.526 23.506 6.945 1.00 0.00 ATOM 669 C TYR 94 26.138 23.857 5.830 1.00 0.00 ATOM 670 N CYS 95 24.893 24.251 5.583 1.00 0.00 ATOM 671 CA CYS 95 23.800 24.031 6.517 1.00 0.00 ATOM 672 CB CYS 95 23.466 25.321 7.293 1.00 0.00 ATOM 673 SG CYS 95 22.877 26.711 6.261 1.00 0.00 ATOM 674 O CYS 95 22.769 23.307 4.471 1.00 0.00 ATOM 675 C CYS 95 22.624 23.519 5.675 1.00 0.00 ATOM 676 N LYS 96 21.467 23.307 6.282 1.00 0.00 ATOM 677 CA LYS 96 20.339 22.730 5.539 1.00 0.00 ATOM 678 CB LYS 96 19.088 22.755 6.412 1.00 0.00 ATOM 679 CG LYS 96 17.820 22.289 5.719 1.00 0.00 ATOM 680 CD LYS 96 16.667 22.453 6.707 1.00 0.00 ATOM 681 CE LYS 96 15.459 21.660 6.295 1.00 0.00 ATOM 682 NZ LYS 96 14.359 21.877 7.276 1.00 0.00 ATOM 683 O LYS 96 20.071 22.802 3.135 1.00 0.00 ATOM 684 C LYS 96 20.076 23.437 4.195 1.00 0.00 ATOM 685 N ASN 97 19.893 24.752 4.240 1.00 0.00 ATOM 686 CA ASN 97 19.491 25.513 3.055 1.00 0.00 ATOM 687 CB ASN 97 18.149 26.223 3.329 1.00 0.00 ATOM 688 CG ASN 97 18.276 27.412 4.273 1.00 0.00 ATOM 689 ND2 ASN 97 17.232 28.230 4.320 1.00 0.00 ATOM 690 OD1 ASN 97 19.283 27.590 4.954 1.00 0.00 ATOM 691 O ASN 97 20.303 27.267 1.599 1.00 0.00 ATOM 692 C ASN 97 20.552 26.494 2.528 1.00 0.00 ATOM 693 N GLY 98 21.736 26.463 3.128 1.00 0.00 ATOM 694 CA GLY 98 22.824 27.339 2.701 1.00 0.00 ATOM 695 O GLY 98 23.059 29.670 2.170 1.00 0.00 ATOM 696 C GLY 98 22.582 28.820 2.944 1.00 0.00 ATOM 697 N ARG 99 21.821 29.151 3.993 1.00 0.00 ATOM 698 CA ARG 99 21.510 30.567 4.262 1.00 0.00 ATOM 699 CB ARG 99 20.000 30.843 4.220 1.00 0.00 ATOM 700 CG ARG 99 19.439 30.548 2.847 1.00 0.00 ATOM 701 CD ARG 99 18.100 31.221 2.594 1.00 0.00 ATOM 702 NE ARG 99 17.622 30.855 1.265 1.00 0.00 ATOM 703 CZ ARG 99 16.872 31.627 0.488 1.00 0.00 ATOM 704 NH1 ARG 99 16.516 32.842 0.889 1.00 0.00 ATOM 705 NH2 ARG 99 16.494 31.186 -0.704 1.00 0.00 ATOM 706 O ARG 99 23.140 31.856 5.404 1.00 0.00 ATOM 707 C ARG 99 22.145 31.164 5.511 1.00 0.00 ATOM 708 N SER 100 21.576 30.918 6.686 1.00 0.00 ATOM 709 CA SER 100 22.024 31.648 7.861 1.00 0.00 ATOM 710 CB SER 100 20.884 31.788 8.866 1.00 0.00 ATOM 711 OG SER 100 21.364 32.297 10.102 1.00 0.00 ATOM 712 O SER 100 24.283 31.777 8.691 1.00 0.00 ATOM 713 C SER 100 23.283 31.074 8.528 1.00 0.00 ATOM 714 N ARG 101 23.228 29.799 8.906 1.00 0.00 ATOM 715 CA ARG 101 24.320 29.179 9.660 1.00 0.00 ATOM 716 CB ARG 101 23.895 27.805 10.182 1.00 0.00 ATOM 717 CG ARG 101 22.922 27.889 11.359 1.00 0.00 ATOM 718 CD ARG 101 22.279 26.549 11.695 1.00 0.00 ATOM 719 NE ARG 101 21.294 26.128 10.704 1.00 0.00 ATOM 720 CZ ARG 101 20.534 25.044 10.815 1.00 0.00 ATOM 721 NH1 ARG 101 20.625 24.253 11.881 1.00 0.00 ATOM 722 NH2 ARG 101 19.671 24.753 9.851 1.00 0.00 ATOM 723 O ARG 101 26.679 29.491 9.380 1.00 0.00 ATOM 724 C ARG 101 25.639 29.076 8.876 1.00 0.00 ATOM 725 N SER 102 25.589 28.533 7.656 1.00 0.00 ATOM 726 CA SER 102 26.797 28.406 6.831 1.00 0.00 ATOM 727 CB SER 102 26.505 27.592 5.571 1.00 0.00 ATOM 728 OG SER 102 25.449 28.176 4.831 1.00 0.00 ATOM 729 O SER 102 28.622 29.929 6.420 1.00 0.00 ATOM 730 C SER 102 27.399 29.774 6.469 1.00 0.00 ATOM 731 N ALA 103 26.540 30.763 6.221 1.00 0.00 ATOM 732 CA ALA 103 27.010 32.116 5.930 1.00 0.00 ATOM 733 CB ALA 103 25.840 33.018 5.530 1.00 0.00 ATOM 734 O ALA 103 28.825 33.314 6.954 1.00 0.00 ATOM 735 C ALA 103 27.757 32.711 7.112 1.00 0.00 ATOM 736 N ALA 104 27.199 32.529 8.304 1.00 0.00 ATOM 737 CA ALA 104 27.820 33.064 9.513 1.00 0.00 ATOM 738 CB ALA 104 26.882 32.885 10.712 1.00 0.00 ATOM 739 O ALA 104 30.159 33.066 10.079 1.00 0.00 ATOM 740 C ALA 104 29.179 32.389 9.757 1.00 0.00 ATOM 741 N VAL 105 29.251 31.065 9.574 1.00 0.00 ATOM 742 CA VAL 105 30.531 30.372 9.768 1.00 0.00 ATOM 743 CB VAL 105 30.361 28.835 9.923 1.00 0.00 ATOM 744 CG1 VAL 105 31.733 28.129 9.969 1.00 0.00 ATOM 745 CG2 VAL 105 29.589 28.534 11.211 1.00 0.00 ATOM 746 O VAL 105 32.743 31.026 9.090 1.00 0.00 ATOM 747 C VAL 105 31.595 30.754 8.723 1.00 0.00 ATOM 748 N CYS 106 31.231 30.800 7.440 1.00 0.00 ATOM 749 CA CYS 106 32.171 31.275 6.407 1.00 0.00 ATOM 750 CB CYS 106 31.557 31.248 5.000 1.00 0.00 ATOM 751 SG CYS 106 31.309 29.627 4.341 1.00 0.00 ATOM 752 O CYS 106 33.835 32.974 6.469 1.00 0.00 ATOM 753 C CYS 106 32.659 32.690 6.672 1.00 0.00 ATOM 754 N THR 107 31.748 33.569 7.103 1.00 0.00 ATOM 755 CA THR 107 32.085 34.962 7.439 1.00 0.00 ATOM 756 CB THR 107 30.813 35.815 7.773 1.00 0.00 ATOM 757 CG2 THR 107 31.180 37.262 8.066 1.00 0.00 ATOM 758 OG1 THR 107 29.899 35.792 6.671 1.00 0.00 ATOM 759 O THR 107 34.088 35.736 8.533 1.00 0.00 ATOM 760 C THR 107 33.083 35.016 8.602 1.00 0.00 ATOM 761 N ALA 108 32.827 34.230 9.652 1.00 0.00 ATOM 762 CA ALA 108 33.765 34.132 10.768 1.00 0.00 ATOM 763 CB ALA 108 33.228 33.165 11.850 1.00 0.00 ATOM 764 O ALA 108 36.168 34.285 10.717 1.00 0.00 ATOM 765 C ALA 108 35.154 33.700 10.304 1.00 0.00 ATOM 766 N TYR 109 35.199 32.692 9.435 1.00 0.00 ATOM 767 CA TYR 109 36.480 32.143 8.956 1.00 0.00 ATOM 768 CB TYR 109 36.261 30.892 8.089 1.00 0.00 ATOM 769 CG TYR 109 37.542 30.439 7.432 1.00 0.00 ATOM 770 CD1 TYR 109 38.449 29.618 8.112 1.00 0.00 ATOM 771 CD2 TYR 109 37.869 30.864 6.143 1.00 0.00 ATOM 772 CE1 TYR 109 39.653 29.233 7.511 1.00 0.00 ATOM 773 CE2 TYR 109 39.069 30.492 5.541 1.00 0.00 ATOM 774 CZ TYR 109 39.953 29.680 6.227 1.00 0.00 ATOM 775 OH TYR 109 41.138 29.321 5.614 1.00 0.00 ATOM 776 O TYR 109 38.522 33.289 8.354 1.00 0.00 ATOM 777 C TYR 109 37.300 33.181 8.184 1.00 0.00 ATOM 778 N LEU 110 36.622 33.940 7.336 1.00 0.00 ATOM 779 CA LEU 110 37.280 34.989 6.543 1.00 0.00 ATOM 780 CB LEU 110 36.304 35.559 5.511 1.00 0.00 ATOM 781 CG LEU 110 35.880 34.629 4.354 1.00 0.00 ATOM 782 CD1 LEU 110 34.740 35.255 3.573 1.00 0.00 ATOM 783 CD2 LEU 110 37.028 34.341 3.429 1.00 0.00 ATOM 784 O LEU 110 38.958 36.608 7.136 1.00 0.00 ATOM 785 C LEU 110 37.874 36.102 7.420 1.00 0.00 ATOM 786 N MET 111 37.176 36.474 8.491 1.00 0.00 ATOM 787 CA MET 111 37.726 37.447 9.449 1.00 0.00 ATOM 788 CB MET 111 36.679 37.861 10.478 1.00 0.00 ATOM 789 CG MET 111 35.513 38.661 9.945 1.00 0.00 ATOM 790 SD MET 111 34.619 39.321 11.364 1.00 0.00 ATOM 791 CE MET 111 33.672 37.880 11.864 1.00 0.00 ATOM 792 O MET 111 39.893 37.568 10.463 1.00 0.00 ATOM 793 C MET 111 38.900 36.876 10.212 1.00 0.00 ATOM 794 N ARG 112 38.759 35.618 10.613 1.00 0.00 ATOM 795 CA ARG 112 39.716 34.968 11.503 1.00 0.00 ATOM 796 CB ARG 112 39.083 33.701 12.105 1.00 0.00 ATOM 797 CG ARG 112 39.962 32.927 13.079 1.00 0.00 ATOM 798 CD ARG 112 40.542 33.829 14.181 1.00 0.00 ATOM 799 NE ARG 112 41.386 33.026 15.043 1.00 0.00 ATOM 800 CZ ARG 112 42.680 32.809 14.849 1.00 0.00 ATOM 801 NH1 ARG 112 43.329 33.390 13.841 1.00 0.00 ATOM 802 NH2 ARG 112 43.335 32.027 15.695 1.00 0.00 ATOM 803 O ARG 112 42.112 34.754 11.392 1.00 0.00 ATOM 804 C ARG 112 41.025 34.617 10.808 1.00 0.00 ATOM 805 N HIS 113 40.923 34.167 9.563 1.00 0.00 ATOM 806 CA HIS 113 42.074 33.588 8.893 1.00 0.00 ATOM 807 CB HIS 113 41.879 32.078 8.718 1.00 0.00 ATOM 808 CG HIS 113 41.893 31.330 10.012 1.00 0.00 ATOM 809 CD2 HIS 113 40.915 30.665 10.670 1.00 0.00 ATOM 810 ND1 HIS 113 43.019 31.236 10.801 1.00 0.00 ATOM 811 CE1 HIS 113 42.737 30.542 11.888 1.00 0.00 ATOM 812 NE2 HIS 113 41.468 30.178 11.830 1.00 0.00 ATOM 813 O HIS 113 43.479 33.900 7.013 1.00 0.00 ATOM 814 C HIS 113 42.450 34.238 7.571 1.00 0.00 ATOM 815 N ARG 114 41.625 35.154 7.070 1.00 0.00 ATOM 816 CA ARG 114 41.953 35.832 5.807 1.00 0.00 ATOM 817 CB ARG 114 40.933 35.476 4.710 1.00 0.00 ATOM 818 CG ARG 114 40.801 33.967 4.430 1.00 0.00 ATOM 819 CD ARG 114 42.044 33.367 3.765 1.00 0.00 ATOM 820 NE ARG 114 41.938 31.907 3.687 1.00 0.00 ATOM 821 CZ ARG 114 41.472 31.233 2.637 1.00 0.00 ATOM 822 NH1 ARG 114 41.088 31.869 1.530 1.00 0.00 ATOM 823 NH2 ARG 114 41.399 29.910 2.691 1.00 0.00 ATOM 824 O ARG 114 42.314 38.064 4.968 1.00 0.00 ATOM 825 C ARG 114 42.128 37.356 5.954 1.00 0.00 ATOM 826 N GLY 115 42.050 37.848 7.185 1.00 0.00 ATOM 827 CA GLY 115 42.313 39.263 7.476 1.00 0.00 ATOM 828 O GLY 115 41.488 41.449 7.043 1.00 0.00 ATOM 829 C GLY 115 41.229 40.253 7.093 1.00 0.00 ATOM 830 N HIS 116 40.014 39.770 6.830 1.00 0.00 ATOM 831 CA HIS 116 38.938 40.653 6.395 1.00 0.00 ATOM 832 CB HIS 116 38.026 39.957 5.366 1.00 0.00 ATOM 833 CG HIS 116 38.756 39.470 4.152 1.00 0.00 ATOM 834 CD2 HIS 116 39.008 38.217 3.706 1.00 0.00 ATOM 835 ND1 HIS 116 39.330 40.325 3.236 1.00 0.00 ATOM 836 CE1 HIS 116 39.907 39.619 2.279 1.00 0.00 ATOM 837 NE2 HIS 116 39.731 38.336 2.543 1.00 0.00 ATOM 838 O HIS 116 37.880 40.444 8.532 1.00 0.00 ATOM 839 C HIS 116 38.111 41.162 7.560 1.00 0.00 ATOM 840 N SER 117 37.647 42.402 7.447 1.00 0.00 ATOM 841 CA SER 117 36.695 42.956 8.402 1.00 0.00 ATOM 842 CB SER 117 36.462 44.433 8.092 1.00 0.00 ATOM 843 OG SER 117 35.685 44.540 6.905 1.00 0.00 ATOM 844 O SER 117 35.165 41.611 7.166 1.00 0.00 ATOM 845 C SER 117 35.381 42.218 8.213 1.00 0.00 ATOM 846 N LEU 118 34.496 42.299 9.202 1.00 0.00 ATOM 847 CA LEU 118 33.160 41.698 9.098 1.00 0.00 ATOM 848 CB LEU 118 32.321 42.065 10.325 1.00 0.00 ATOM 849 CG LEU 118 30.875 41.579 10.380 1.00 0.00 ATOM 850 CD1 LEU 118 30.755 40.049 10.242 1.00 0.00 ATOM 851 CD2 LEU 118 30.281 42.041 11.685 1.00 0.00 ATOM 852 O LEU 118 31.879 41.172 7.123 1.00 0.00 ATOM 853 C LEU 118 32.407 42.057 7.818 1.00 0.00 ATOM 854 N ASP 119 32.361 43.349 7.503 1.00 0.00 ATOM 855 CA ASP 119 31.661 43.806 6.308 1.00 0.00 ATOM 856 CB ASP 119 31.633 45.335 6.251 1.00 0.00 ATOM 857 CG ASP 119 30.755 45.946 7.328 1.00 0.00 ATOM 858 OD1 ASP 119 29.833 45.261 7.824 1.00 0.00 ATOM 859 OD2 ASP 119 30.999 47.121 7.678 1.00 0.00 ATOM 860 O ASP 119 31.549 42.839 4.124 1.00 0.00 ATOM 861 C ASP 119 32.272 43.254 5.025 1.00 0.00 ATOM 862 N ARG 120 33.600 43.253 4.938 1.00 0.00 ATOM 863 CA ARG 120 34.273 42.761 3.741 1.00 0.00 ATOM 864 CB ARG 120 35.773 43.069 3.811 1.00 0.00 ATOM 865 CG ARG 120 36.568 42.783 2.518 1.00 0.00 ATOM 866 CD ARG 120 36.223 43.743 1.357 1.00 0.00 ATOM 867 NE ARG 120 36.006 45.123 1.804 1.00 0.00 ATOM 868 CZ ARG 120 36.962 46.043 1.936 1.00 0.00 ATOM 869 NH1 ARG 120 38.228 45.750 1.655 1.00 0.00 ATOM 870 NH2 ARG 120 36.650 47.264 2.354 1.00 0.00 ATOM 871 O ARG 120 33.825 40.742 2.506 1.00 0.00 ATOM 872 C ARG 120 34.072 41.247 3.597 1.00 0.00 ATOM 873 N ALA 121 34.211 40.546 4.717 1.00 0.00 ATOM 874 CA ALA 121 34.041 39.111 4.773 1.00 0.00 ATOM 875 CB ALA 121 34.357 38.592 6.181 1.00 0.00 ATOM 876 O ALA 121 32.426 37.886 3.524 1.00 0.00 ATOM 877 C ALA 121 32.617 38.754 4.363 1.00 0.00 ATOM 878 N PHE 122 31.613 39.431 4.918 1.00 0.00 ATOM 879 CA PHE 122 30.243 39.083 4.539 1.00 0.00 ATOM 880 CB PHE 122 29.176 39.686 5.459 1.00 0.00 ATOM 881 CG PHE 122 27.784 39.298 5.062 1.00 0.00 ATOM 882 CD1 PHE 122 27.406 37.953 5.059 1.00 0.00 ATOM 883 CD2 PHE 122 26.872 40.250 4.635 1.00 0.00 ATOM 884 CE1 PHE 122 26.156 37.573 4.650 1.00 0.00 ATOM 885 CE2 PHE 122 25.592 39.869 4.239 1.00 0.00 ATOM 886 CZ PHE 122 25.235 38.532 4.253 1.00 0.00 ATOM 887 O PHE 122 29.232 38.611 2.409 1.00 0.00 ATOM 888 C PHE 122 29.925 39.391 3.067 1.00 0.00 ATOM 889 N GLN 123 30.447 40.508 2.557 1.00 0.00 ATOM 890 CA GLN 123 30.312 40.843 1.139 1.00 0.00 ATOM 891 CB GLN 123 30.992 42.196 0.827 1.00 0.00 ATOM 892 CG GLN 123 31.309 42.476 -0.655 1.00 0.00 ATOM 893 CD GLN 123 32.688 41.964 -1.100 1.00 0.00 ATOM 894 OE1 GLN 123 33.717 42.274 -0.484 1.00 0.00 ATOM 895 NE2 GLN 123 32.708 41.183 -2.183 1.00 0.00 ATOM 896 O GLN 123 30.197 39.369 -0.752 1.00 0.00 ATOM 897 C GLN 123 30.833 39.706 0.243 1.00 0.00 ATOM 898 N MET 124 31.972 39.106 0.608 1.00 0.00 ATOM 899 CA MET 124 32.535 37.982 -0.170 1.00 0.00 ATOM 900 CB MET 124 33.914 37.581 0.362 1.00 0.00 ATOM 901 CG MET 124 35.015 38.615 0.108 1.00 0.00 ATOM 902 SD MET 124 36.508 38.297 1.087 1.00 0.00 ATOM 903 CE MET 124 37.141 36.803 0.323 1.00 0.00 ATOM 904 O MET 124 31.456 36.104 -1.239 1.00 0.00 ATOM 905 C MET 124 31.615 36.753 -0.198 1.00 0.00 ATOM 906 N VAL 125 31.046 36.421 0.957 1.00 0.00 ATOM 907 CA VAL 125 30.090 35.318 1.059 1.00 0.00 ATOM 908 CB VAL 125 29.693 35.074 2.545 1.00 0.00 ATOM 909 CG1 VAL 125 28.590 34.036 2.657 1.00 0.00 ATOM 910 CG2 VAL 125 30.924 34.658 3.364 1.00 0.00 ATOM 911 O VAL 125 28.437 34.789 -0.630 1.00 0.00 ATOM 912 C VAL 125 28.854 35.618 0.194 1.00 0.00 ATOM 913 N LYS 126 28.296 36.818 0.377 1.00 0.00 ATOM 914 CA LYS 126 27.122 37.268 -0.372 1.00 0.00 ATOM 915 CB LYS 126 26.753 38.693 0.053 1.00 0.00 ATOM 916 CG LYS 126 25.363 39.144 -0.351 1.00 0.00 ATOM 917 CD LYS 126 24.327 38.697 0.672 1.00 0.00 ATOM 918 CE LYS 126 23.069 39.553 0.599 1.00 0.00 ATOM 919 NZ LYS 126 22.284 39.298 -0.638 1.00 0.00 ATOM 920 O LYS 126 26.436 36.808 -2.641 1.00 0.00 ATOM 921 C LYS 126 27.333 37.212 -1.891 1.00 0.00 ATOM 922 N SER 127 28.514 37.622 -2.345 1.00 0.00 ATOM 923 CA SER 127 28.867 37.572 -3.778 1.00 0.00 ATOM 924 CB SER 127 30.237 38.193 -4.004 1.00 0.00 ATOM 925 OG SER 127 30.215 39.557 -3.636 1.00 0.00 ATOM 926 O SER 127 28.505 35.953 -5.512 1.00 0.00 ATOM 927 C SER 127 28.875 36.164 -4.354 1.00 0.00 ATOM 928 N ALA 128 29.307 35.204 -3.539 1.00 0.00 ATOM 929 CA ALA 128 29.347 33.808 -3.947 1.00 0.00 ATOM 930 CB ALA 128 30.299 33.037 -3.053 1.00 0.00 ATOM 931 O ALA 128 27.608 32.328 -4.708 1.00 0.00 ATOM 932 C ALA 128 27.946 33.190 -3.898 1.00 0.00 ATOM 933 N ARG 129 27.135 33.654 -2.950 1.00 0.00 ATOM 934 CA ARG 129 25.827 33.052 -2.671 1.00 0.00 ATOM 935 CB ARG 129 25.952 31.900 -1.662 1.00 0.00 ATOM 936 CG ARG 129 24.626 31.180 -1.415 1.00 0.00 ATOM 937 CD ARG 129 24.793 29.765 -0.926 1.00 0.00 ATOM 938 NE ARG 129 23.501 29.202 -0.536 1.00 0.00 ATOM 939 CZ ARG 129 22.635 28.628 -1.368 1.00 0.00 ATOM 940 NH1 ARG 129 22.911 28.505 -2.664 1.00 0.00 ATOM 941 NH2 ARG 129 21.489 28.161 -0.895 1.00 0.00 ATOM 942 O ARG 129 24.843 34.431 -0.966 1.00 0.00 ATOM 943 C ARG 129 24.871 34.134 -2.154 1.00 0.00 ATOM 944 N PRO 130 24.128 34.775 -3.072 1.00 0.00 ATOM 945 CA PRO 130 23.258 35.903 -2.735 1.00 0.00 ATOM 946 CB PRO 130 22.537 36.199 -4.057 1.00 0.00 ATOM 947 CG PRO 130 23.491 35.743 -5.097 1.00 0.00 ATOM 948 CD PRO 130 24.129 34.497 -4.520 1.00 0.00 ATOM 949 O PRO 130 21.993 36.573 -0.833 1.00 0.00 ATOM 950 C PRO 130 22.265 35.653 -1.592 1.00 0.00 ATOM 951 N VAL 131 21.760 34.426 -1.439 1.00 0.00 ATOM 952 CA VAL 131 20.825 34.129 -0.340 1.00 0.00 ATOM 953 CB VAL 131 19.897 32.931 -0.653 1.00 0.00 ATOM 954 CG1 VAL 131 19.106 33.212 -1.912 1.00 0.00 ATOM 955 CG2 VAL 131 20.690 31.613 -0.755 1.00 0.00 ATOM 956 O VAL 131 20.799 33.782 2.045 1.00 0.00 ATOM 957 C VAL 131 21.489 33.951 1.034 1.00 0.00 ATOM 958 N ALA 132 22.819 34.000 1.078 1.00 0.00 ATOM 959 CA ALA 132 23.523 34.010 2.359 1.00 0.00 ATOM 960 CB ALA 132 25.003 34.132 2.146 1.00 0.00 ATOM 961 O ALA 132 22.914 36.318 2.713 1.00 0.00 ATOM 962 C ALA 132 23.005 35.179 3.197 1.00 0.00 ATOM 963 N GLU 133 22.625 34.882 4.437 1.00 0.00 ATOM 964 CA GLU 133 22.040 35.875 5.335 1.00 0.00 ATOM 965 CB GLU 133 20.621 36.234 4.870 1.00 0.00 ATOM 966 CG GLU 133 19.947 37.393 5.608 1.00 0.00 ATOM 967 CD GLU 133 18.467 37.546 5.247 1.00 0.00 ATOM 968 OE1 GLU 133 17.915 36.676 4.532 1.00 0.00 ATOM 969 OE2 GLU 133 17.850 38.540 5.680 1.00 0.00 ATOM 970 O GLU 133 21.013 34.660 7.125 1.00 0.00 ATOM 971 C GLU 133 21.990 35.311 6.757 1.00 0.00 ATOM 972 N PRO 134 23.036 35.570 7.563 1.00 0.00 ATOM 973 CA PRO 134 23.045 35.168 8.971 1.00 0.00 ATOM 974 CB PRO 134 24.343 35.790 9.503 1.00 0.00 ATOM 975 CG PRO 134 25.196 35.992 8.311 1.00 0.00 ATOM 976 CD PRO 134 24.258 36.304 7.193 1.00 0.00 ATOM 977 O PRO 134 21.595 37.002 9.369 1.00 0.00 ATOM 978 C PRO 134 21.868 35.842 9.660 1.00 0.00 ATOM 979 N ASN 135 21.161 35.137 10.541 1.00 0.00 ATOM 980 CA ASN 135 20.127 35.799 11.320 1.00 0.00 ATOM 981 CB ASN 135 19.284 34.812 12.149 1.00 0.00 ATOM 982 CG ASN 135 20.022 34.253 13.354 1.00 0.00 ATOM 983 ND2 ASN 135 20.103 32.927 13.441 1.00 0.00 ATOM 984 OD1 ASN 135 20.490 34.997 14.202 1.00 0.00 ATOM 985 O ASN 135 21.990 36.934 12.360 1.00 0.00 ATOM 986 C ASN 135 20.767 36.913 12.160 1.00 0.00 ATOM 987 N LEU 136 19.944 37.849 12.623 1.00 0.00 ATOM 988 CA LEU 136 20.445 39.049 13.297 1.00 0.00 ATOM 989 CB LEU 136 19.320 40.090 13.440 1.00 0.00 ATOM 990 CG LEU 136 18.837 40.657 12.097 1.00 0.00 ATOM 991 CD1 LEU 136 17.638 41.576 12.247 1.00 0.00 ATOM 992 CD2 LEU 136 19.978 41.349 11.379 1.00 0.00 ATOM 993 O LEU 136 21.960 39.540 15.092 1.00 0.00 ATOM 994 C LEU 136 21.114 38.767 14.645 1.00 0.00 ATOM 995 N GLY 137 20.740 37.656 15.277 1.00 0.00 ATOM 996 CA GLY 137 21.413 37.202 16.493 1.00 0.00 ATOM 997 O GLY 137 23.768 37.133 16.874 1.00 0.00 ATOM 998 C GLY 137 22.832 36.761 16.176 1.00 0.00 ATOM 999 N PHE 138 22.984 35.982 15.106 1.00 0.00 ATOM 1000 CA PHE 138 24.309 35.562 14.632 1.00 0.00 ATOM 1001 CB PHE 138 24.191 34.542 13.487 1.00 0.00 ATOM 1002 CG PHE 138 23.654 33.192 13.901 1.00 0.00 ATOM 1003 CD1 PHE 138 23.473 32.858 15.245 1.00 0.00 ATOM 1004 CD2 PHE 138 23.377 32.232 12.932 1.00 0.00 ATOM 1005 CE1 PHE 138 22.992 31.597 15.603 1.00 0.00 ATOM 1006 CE2 PHE 138 22.891 30.973 13.284 1.00 0.00 ATOM 1007 CZ PHE 138 22.700 30.654 14.615 1.00 0.00 ATOM 1008 O PHE 138 26.361 36.804 14.389 1.00 0.00 ATOM 1009 C PHE 138 25.144 36.765 14.172 1.00 0.00 ATOM 1010 N TRP 139 24.495 37.762 13.561 1.00 0.00 ATOM 1011 CA TRP 139 25.214 38.972 13.132 1.00 0.00 ATOM 1012 CB TRP 139 24.321 39.901 12.299 1.00 0.00 ATOM 1013 CG TRP 139 25.109 40.991 11.637 1.00 0.00 ATOM 1014 CD1 TRP 139 25.163 42.300 12.011 1.00 0.00 ATOM 1015 CD2 TRP 139 25.986 40.862 10.509 1.00 0.00 ATOM 1016 CE2 TRP 139 26.516 42.147 10.246 1.00 0.00 ATOM 1017 CE3 TRP 139 26.354 39.791 9.678 1.00 0.00 ATOM 1018 NE1 TRP 139 25.996 43.004 11.180 1.00 0.00 ATOM 1019 CZ2 TRP 139 27.404 42.393 9.194 1.00 0.00 ATOM 1020 CZ3 TRP 139 27.236 40.035 8.631 1.00 0.00 ATOM 1021 CH2 TRP 139 27.758 41.328 8.403 1.00 0.00 ATOM 1022 O TRP 139 26.984 40.163 14.255 1.00 0.00 ATOM 1023 C TRP 139 25.833 39.717 14.322 1.00 0.00 ATOM 1024 N ALA 140 25.078 39.811 15.417 1.00 0.00 ATOM 1025 CA ALA 140 25.575 40.395 16.668 1.00 0.00 ATOM 1026 CB ALA 140 24.441 40.463 17.697 1.00 0.00 ATOM 1027 O ALA 140 27.726 40.173 17.722 1.00 0.00 ATOM 1028 C ALA 140 26.754 39.601 17.240 1.00 0.00 ATOM 1029 N GLN 141 26.646 38.276 17.196 1.00 0.00 ATOM 1030 CA GLN 141 27.713 37.404 17.682 1.00 0.00 ATOM 1031 CB GLN 141 27.215 35.958 17.729 1.00 0.00 ATOM 1032 CG GLN 141 26.104 35.757 18.771 1.00 0.00 ATOM 1033 CD GLN 141 25.466 34.388 18.724 1.00 0.00 ATOM 1034 OE1 GLN 141 26.152 33.376 18.567 1.00 0.00 ATOM 1035 NE2 GLN 141 24.141 34.342 18.872 1.00 0.00 ATOM 1036 O GLN 141 30.096 37.596 17.359 1.00 0.00 ATOM 1037 C GLN 141 28.973 37.562 16.831 1.00 0.00 ATOM 1038 N LEU 142 28.790 37.706 15.519 1.00 0.00 ATOM 1039 CA LEU 142 29.918 37.968 14.611 1.00 0.00 ATOM 1040 CB LEU 142 29.448 37.917 13.153 1.00 0.00 ATOM 1041 CG LEU 142 29.132 36.521 12.591 1.00 0.00 ATOM 1042 CD1 LEU 142 28.410 36.598 11.246 1.00 0.00 ATOM 1043 CD2 LEU 142 30.384 35.644 12.490 1.00 0.00 ATOM 1044 O LEU 142 31.856 39.414 14.786 1.00 0.00 ATOM 1045 C LEU 142 30.633 39.297 14.912 1.00 0.00 ATOM 1046 N GLN 143 29.860 40.295 15.335 1.00 0.00 ATOM 1047 CA GLN 143 30.419 41.585 15.710 1.00 0.00 ATOM 1048 CB GLN 143 29.303 42.614 15.870 1.00 0.00 ATOM 1049 CG GLN 143 28.757 43.080 14.546 1.00 0.00 ATOM 1050 CD GLN 143 27.645 44.098 14.691 1.00 0.00 ATOM 1051 OE1 GLN 143 26.700 43.899 15.446 1.00 0.00 ATOM 1052 NE2 GLN 143 27.739 45.178 13.939 1.00 0.00 ATOM 1053 O GLN 143 32.313 42.071 17.093 1.00 0.00 ATOM 1054 C GLN 143 31.237 41.479 16.983 1.00 0.00 ATOM 1055 N LYS 144 30.737 40.696 17.928 1.00 0.00 ATOM 1056 CA LYS 144 31.472 40.419 19.149 1.00 0.00 ATOM 1057 CB LYS 144 30.583 39.623 20.100 1.00 0.00 ATOM 1058 CG LYS 144 31.093 39.533 21.521 1.00 0.00 ATOM 1059 CD LYS 144 30.000 39.002 22.448 1.00 0.00 ATOM 1060 CE LYS 144 28.987 40.086 22.794 1.00 0.00 ATOM 1061 NZ LYS 144 28.172 39.700 23.979 1.00 0.00 ATOM 1062 O LYS 144 33.820 39.953 19.409 1.00 0.00 ATOM 1063 C LYS 144 32.767 39.662 18.840 1.00 0.00 ATOM 1064 N TYR 145 32.693 38.698 17.928 1.00 0.00 ATOM 1065 CA TYR 145 33.891 37.939 17.525 1.00 0.00 ATOM 1066 CB TYR 145 33.494 36.826 16.542 1.00 0.00 ATOM 1067 CG TYR 145 34.579 35.799 16.241 1.00 0.00 ATOM 1068 CD1 TYR 145 35.291 35.165 17.271 1.00 0.00 ATOM 1069 CD2 TYR 145 34.859 35.430 14.926 1.00 0.00 ATOM 1070 CE1 TYR 145 36.268 34.197 16.988 1.00 0.00 ATOM 1071 CE2 TYR 145 35.828 34.458 14.634 1.00 0.00 ATOM 1072 CZ TYR 145 36.524 33.853 15.664 1.00 0.00 ATOM 1073 OH TYR 145 37.479 32.906 15.361 1.00 0.00 ATOM 1074 O TYR 145 36.102 38.826 17.189 1.00 0.00 ATOM 1075 C TYR 145 34.912 38.875 16.880 1.00 0.00 ATOM 1076 N GLU 146 34.435 39.753 15.998 1.00 0.00 ATOM 1077 CA GLU 146 35.302 40.736 15.354 1.00 0.00 ATOM 1078 CB GLU 146 34.488 41.649 14.421 1.00 0.00 ATOM 1079 CG GLU 146 35.360 42.639 13.646 1.00 0.00 ATOM 1080 CD GLU 146 34.546 43.548 12.742 1.00 0.00 ATOM 1081 OE1 GLU 146 33.406 43.901 13.117 1.00 0.00 ATOM 1082 OE2 GLU 146 35.041 43.893 11.646 1.00 0.00 ATOM 1083 O GLU 146 37.267 41.817 16.244 1.00 0.00 ATOM 1084 C GLU 146 36.059 41.587 16.387 1.00 0.00 ATOM 1085 N GLN 147 35.360 42.027 17.433 1.00 0.00 ATOM 1086 CA GLN 147 35.965 42.874 18.473 1.00 0.00 ATOM 1087 CB GLN 147 34.890 43.406 19.419 1.00 0.00 ATOM 1088 CG GLN 147 33.984 44.460 18.794 1.00 0.00 ATOM 1089 CD GLN 147 32.551 44.367 19.279 1.00 0.00 ATOM 1090 OE1 GLN 147 32.262 43.717 20.284 1.00 0.00 ATOM 1091 NE2 GLN 147 31.639 45.010 18.557 1.00 0.00 ATOM 1092 O GLN 147 38.058 42.673 19.648 1.00 0.00 ATOM 1093 C GLN 147 37.022 42.112 19.261 1.00 0.00 ATOM 1094 N THR 148 36.740 40.832 19.503 1.00 0.00 ATOM 1095 CA THR 148 37.669 39.939 20.190 1.00 0.00 ATOM 1096 CB THR 148 37.004 38.568 20.466 1.00 0.00 ATOM 1097 CG2 THR 148 37.905 37.677 21.302 1.00 0.00 ATOM 1098 OG1 THR 148 35.769 38.776 21.160 1.00 0.00 ATOM 1099 O THR 148 40.037 39.835 19.856 1.00 0.00 ATOM 1100 C THR 148 38.926 39.756 19.348 1.00 0.00 ATOM 1101 N LEU 149 38.738 39.510 18.050 1.00 0.00 ATOM 1102 CA LEU 149 39.857 39.398 17.106 1.00 0.00 ATOM 1103 CB LEU 149 39.340 39.080 15.702 1.00 0.00 ATOM 1104 CG LEU 149 38.602 37.737 15.592 1.00 0.00 ATOM 1105 CD1 LEU 149 38.263 37.412 14.146 1.00 0.00 ATOM 1106 CD2 LEU 149 39.403 36.616 16.230 1.00 0.00 ATOM 1107 O LEU 149 41.958 40.552 17.065 1.00 0.00 ATOM 1108 C LEU 149 40.734 40.654 17.084 1.00 0.00 ATOM 1109 N GLN 150 40.097 41.828 17.108 1.00 0.00 ATOM 1110 CA GLN 150 40.799 43.113 17.229 1.00 0.00 ATOM 1111 CB GLN 150 39.808 44.273 17.130 1.00 0.00 ATOM 1112 CG GLN 150 39.228 44.439 15.716 1.00 0.00 ATOM 1113 CD GLN 150 38.186 45.528 15.609 1.00 0.00 ATOM 1114 OE1 GLN 150 37.673 46.024 16.610 1.00 0.00 ATOM 1115 NE2 GLN 150 37.854 45.899 14.379 1.00 0.00 ATOM 1116 O GLN 150 42.789 43.555 18.499 1.00 0.00 ATOM 1117 C GLN 150 41.608 43.216 18.529 1.00 0.00 ATOM 1118 N ALA 151 40.979 42.897 19.658 1.00 0.00 ATOM 1119 CA ALA 151 41.679 42.871 20.952 1.00 0.00 ATOM 1120 CB ALA 151 40.701 42.513 22.067 1.00 0.00 ATOM 1121 O ALA 151 43.896 42.150 21.582 1.00 0.00 ATOM 1122 C ALA 151 42.861 41.906 20.942 1.00 0.00 ATOM 1123 N GLN 152 42.712 40.816 20.189 1.00 0.00 ATOM 1124 CA GLN 152 43.751 39.795 20.077 1.00 0.00 ATOM 1125 CB GLN 152 43.120 38.427 19.763 1.00 0.00 ATOM 1126 CG GLN 152 42.410 37.777 20.945 1.00 0.00 ATOM 1127 CD GLN 152 41.643 36.510 20.567 1.00 0.00 ATOM 1128 OE1 GLN 152 41.257 36.320 19.418 1.00 0.00 ATOM 1129 NE2 GLN 152 41.400 35.655 21.547 1.00 0.00 ATOM 1130 O GLN 152 45.746 39.337 18.863 1.00 0.00 ATOM 1131 C GLN 152 44.812 40.112 19.030 1.00 0.00 ATOM 1132 N ALA 153 44.661 41.237 18.324 1.00 0.00 ATOM 1133 CA ALA 153 45.608 41.672 17.276 1.00 0.00 ATOM 1134 CB ALA 153 47.040 41.832 17.833 1.00 0.00 ATOM 1135 O ALA 153 46.518 40.814 15.202 1.00 0.00 ATOM 1136 C ALA 153 45.590 40.782 16.017 1.00 0.00 ATOM 1137 N ILE 154 44.522 39.995 15.875 1.00 0.00 ATOM 1138 CA ILE 154 44.294 39.163 14.697 1.00 0.00 ATOM 1139 CB ILE 154 43.337 37.997 15.053 1.00 0.00 ATOM 1140 CG1 ILE 154 44.064 37.001 15.972 1.00 0.00 ATOM 1141 CG2 ILE 154 42.775 37.311 13.779 1.00 0.00 ATOM 1142 CD1 ILE 154 43.182 35.903 16.548 1.00 0.00 ATOM 1143 O ILE 154 44.137 39.881 12.408 1.00 0.00 ATOM 1144 C ILE 154 43.738 40.026 13.556 1.00 0.00 ATOM 1145 N LEU 155 42.820 40.927 13.893 1.00 0.00 ATOM 1146 CA LEU 155 42.329 41.946 12.967 1.00 0.00 ATOM 1147 CB LEU 155 40.793 41.941 12.917 1.00 0.00 ATOM 1148 CG LEU 155 40.070 40.852 12.118 1.00 0.00 ATOM 1149 CD1 LEU 155 38.564 41.011 12.258 1.00 0.00 ATOM 1150 CD2 LEU 155 40.473 40.890 10.648 1.00 0.00 ATOM 1151 O LEU 155 42.991 43.549 14.621 1.00 0.00 ATOM 1152 C LEU 155 42.825 43.324 13.422 1.00 0.00 ATOM 1153 N PRO 156 43.069 44.246 12.468 1.00 0.00 ATOM 1154 CA PRO 156 43.392 45.629 12.837 1.00 0.00 ATOM 1155 CB PRO 156 43.946 46.231 11.537 1.00 0.00 ATOM 1156 CG PRO 156 43.998 45.101 10.526 1.00 0.00 ATOM 1157 CD PRO 156 43.069 44.046 11.007 1.00 0.00 ATOM 1158 O PRO 156 41.031 46.035 12.897 1.00 0.00 ATOM 1159 C PRO 156 42.149 46.409 13.259 1.00 0.00 ATOM 1160 N ARG 157 42.342 47.486 14.015 1.00 0.00 ATOM 1161 CA ARG 157 41.243 48.400 14.323 1.00 0.00 ATOM 1162 CB ARG 157 41.580 49.296 15.518 1.00 0.00 ATOM 1163 CG ARG 157 41.083 48.759 16.855 1.00 0.00 ATOM 1164 CD ARG 157 42.092 47.837 17.524 1.00 0.00 ATOM 1165 NE ARG 157 43.111 48.588 18.257 1.00 0.00 ATOM 1166 CZ ARG 157 43.837 48.105 19.264 1.00 0.00 ATOM 1167 NH1 ARG 157 44.737 48.882 19.854 1.00 0.00 ATOM 1168 NH2 ARG 157 43.668 46.856 19.689 1.00 0.00 ATOM 1169 O ARG 157 39.678 49.463 12.843 1.00 0.00 ATOM 1170 C ARG 157 40.863 49.244 13.103 1.00 0.00 ATOM 1171 N GLU 158 41.881 49.697 12.368 1.00 0.00 ATOM 1172 CA GLU 158 41.724 50.476 11.127 1.00 0.00 ATOM 1173 CB GLU 158 41.304 49.572 9.956 1.00 0.00 ATOM 1174 CG GLU 158 41.457 50.207 8.568 1.00 0.00 ATOM 1175 CD GLU 158 42.912 50.437 8.158 1.00 0.00 ATOM 1176 OE1 GLU 158 43.171 51.406 7.412 1.00 0.00 ATOM 1177 OE2 GLU 158 43.793 49.652 8.574 1.00 0.00 ATOM 1178 O GLU 158 41.067 52.760 10.748 1.00 0.00 ATOM 1179 C GLU 158 40.779 51.674 11.253 1.00 0.00 ENDMDL # command:# Prefix for output files set to decoys/ # command:# request to SCWRL produces command: ulimit -t 147 ; scwrl3 -i /var/tmp/to_scwrl_801927966.pdb -s /var/tmp/to_scwrl_801927966.seq -o /var/tmp/from_scwrl_801927966.pdb > /var/tmp/scwrl_801927966.log sh: /var/tmp/scwrl_801927966.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_801927966.pdb or /var/tmp/from_scwrl_801927966.pdb.gz for input Warning: Couldn't open file /var/tmp/from_scwrl_801927966_b.pdb or /var/tmp/from_scwrl_801927966_b.pdb.gz for input Trying /var/tmp/from_scwrl_801927966_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_801927966_b.pdb or /var/tmp/from_scwrl_801927966_b.pdb.gz for input Warning: Couldn't open file /var/tmp/from_scwrl_801927966_a.pdb or /var/tmp/from_scwrl_801927966_a.pdb.gz for input Trying /var/tmp/from_scwrl_801927966_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_801927966_a.pdb or /var/tmp/from_scwrl_801927966_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_801927966.pdb or /var/tmp/from_scwrl_801927966_b.pdb or /var/tmp/from_scwrl_801927966_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 158 # 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 = -82.962 # GDT_score(maxd=8.000,maxw=2.900)= -85.699 # GDT_score(maxd=8.000,maxw=3.200)= -83.458 # GDT_score(maxd=8.000,maxw=3.500)= -80.684 # GDT_score(maxd=10.000,maxw=3.800)= -82.211 # GDT_score(maxd=10.000,maxw=4.000)= -80.222 # GDT_score(maxd=10.000,maxw=4.200)= -78.145 # GDT_score(maxd=12.000,maxw=4.300)= -80.942 # GDT_score(maxd=12.000,maxw=4.500)= -78.924 # GDT_score(maxd=12.000,maxw=4.700)= -76.809 # GDT_score(maxd=14.000,maxw=5.200)= -74.822 # GDT_score(maxd=14.000,maxw=5.500)= -71.734 # command:# request to SCWRL produces command: ulimit -t 147 ; scwrl3 -i /var/tmp/to_scwrl_1861648329.pdb -s /var/tmp/to_scwrl_1861648329.seq -o /var/tmp/from_scwrl_1861648329.pdb > /var/tmp/scwrl_1861648329.log sh: /var/tmp/scwrl_1861648329.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1861648329.pdb or /var/tmp/from_scwrl_1861648329.pdb.gz for input Warning: Couldn't open file /var/tmp/from_scwrl_1861648329_b.pdb or /var/tmp/from_scwrl_1861648329_b.pdb.gz for input Trying /var/tmp/from_scwrl_1861648329_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1861648329_b.pdb or /var/tmp/from_scwrl_1861648329_b.pdb.gz for input Warning: Couldn't open file /var/tmp/from_scwrl_1861648329_a.pdb or /var/tmp/from_scwrl_1861648329_a.pdb.gz for input Trying /var/tmp/from_scwrl_1861648329_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1861648329_a.pdb or /var/tmp/from_scwrl_1861648329_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1861648329.pdb or /var/tmp/from_scwrl_1861648329_b.pdb or /var/tmp/from_scwrl_1861648329_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 # WARNING: incomplete conformation T0317 can't currently be optimized by undertaker # command:Warning: Couldn't open file decoys/model3.gdt for output # fraction of real conformation used = 0.904 # GDT_score = -78.025 # GDT_score(maxd=8.000,maxw=2.900)= -81.094 # GDT_score(maxd=8.000,maxw=3.200)= -78.554 # GDT_score(maxd=8.000,maxw=3.500)= -75.338 # GDT_score(maxd=10.000,maxw=3.800)= -76.754 # GDT_score(maxd=10.000,maxw=4.000)= -74.593 # GDT_score(maxd=10.000,maxw=4.200)= -72.381 # GDT_score(maxd=12.000,maxw=4.300)= -75.145 # GDT_score(maxd=12.000,maxw=4.500)= -73.010 # GDT_score(maxd=12.000,maxw=4.700)= -70.845 # GDT_score(maxd=14.000,maxw=5.200)= -68.803 # GDT_score(maxd=14.000,maxw=5.500)= -65.771 # command:# request to SCWRL produces command: ulimit -t 147 ; scwrl3 -i /var/tmp/to_scwrl_1046404827.pdb -s /var/tmp/to_scwrl_1046404827.seq -o /var/tmp/from_scwrl_1046404827.pdb > /var/tmp/scwrl_1046404827.log sh: /var/tmp/scwrl_1046404827.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1046404827.pdb or /var/tmp/from_scwrl_1046404827.pdb.gz for input Warning: Couldn't open file /var/tmp/from_scwrl_1046404827_b.pdb or /var/tmp/from_scwrl_1046404827_b.pdb.gz for input Trying /var/tmp/from_scwrl_1046404827_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1046404827_b.pdb or /var/tmp/from_scwrl_1046404827_b.pdb.gz for input Warning: Couldn't open file /var/tmp/from_scwrl_1046404827_a.pdb or /var/tmp/from_scwrl_1046404827_a.pdb.gz for input Trying /var/tmp/from_scwrl_1046404827_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1046404827_a.pdb or /var/tmp/from_scwrl_1046404827_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1046404827.pdb or /var/tmp/from_scwrl_1046404827_b.pdb or /var/tmp/from_scwrl_1046404827_a.pdb Error: no new SCWRL conformation added # command:# naming current conformation model3-scwrl # command:# ReadConformPDB reading from PDB file model4.ts-submitted looking for model 1 # WARNING: incomplete conformation T0317 can't currently be optimized by undertaker # command:Warning: Couldn't open file decoys/model4.gdt for output # fraction of real conformation used = 0.904 # GDT_score = -78.025 # GDT_score(maxd=8.000,maxw=2.900)= -80.501 # GDT_score(maxd=8.000,maxw=3.200)= -78.316 # GDT_score(maxd=8.000,maxw=3.500)= -75.540 # GDT_score(maxd=10.000,maxw=3.800)= -76.982 # GDT_score(maxd=10.000,maxw=4.000)= -75.053 # GDT_score(maxd=10.000,maxw=4.200)= -73.007 # GDT_score(maxd=12.000,maxw=4.300)= -75.645 # GDT_score(maxd=12.000,maxw=4.500)= -73.658 # GDT_score(maxd=12.000,maxw=4.700)= -71.599 # GDT_score(maxd=14.000,maxw=5.200)= -69.711 # GDT_score(maxd=14.000,maxw=5.500)= -66.792 # command:# request to SCWRL produces command: ulimit -t 147 ; scwrl3 -i /var/tmp/to_scwrl_1577669095.pdb -s /var/tmp/to_scwrl_1577669095.seq -o /var/tmp/from_scwrl_1577669095.pdb > /var/tmp/scwrl_1577669095.log sh: /var/tmp/scwrl_1577669095.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1577669095.pdb or /var/tmp/from_scwrl_1577669095.pdb.gz for input Warning: Couldn't open file /var/tmp/from_scwrl_1577669095_b.pdb or /var/tmp/from_scwrl_1577669095_b.pdb.gz for input Trying /var/tmp/from_scwrl_1577669095_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1577669095_b.pdb or /var/tmp/from_scwrl_1577669095_b.pdb.gz for input Warning: Couldn't open file /var/tmp/from_scwrl_1577669095_a.pdb or /var/tmp/from_scwrl_1577669095_a.pdb.gz for input Trying /var/tmp/from_scwrl_1577669095_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1577669095_a.pdb or /var/tmp/from_scwrl_1577669095_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1577669095.pdb or /var/tmp/from_scwrl_1577669095_b.pdb or /var/tmp/from_scwrl_1577669095_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 T0317 can't currently be optimized by undertaker # command:Warning: Couldn't open file decoys/model5.gdt for output # fraction of real conformation used = 0.975 # GDT_score = -78.822 # GDT_score(maxd=8.000,maxw=2.900)= -82.009 # GDT_score(maxd=8.000,maxw=3.200)= -79.262 # GDT_score(maxd=8.000,maxw=3.500)= -75.786 # GDT_score(maxd=10.000,maxw=3.800)= -77.424 # GDT_score(maxd=10.000,maxw=4.000)= -75.195 # GDT_score(maxd=10.000,maxw=4.200)= -72.900 # GDT_score(maxd=12.000,maxw=4.300)= -76.040 # GDT_score(maxd=12.000,maxw=4.500)= -73.812 # GDT_score(maxd=12.000,maxw=4.700)= -71.552 # GDT_score(maxd=14.000,maxw=5.200)= -69.671 # GDT_score(maxd=14.000,maxw=5.500)= -66.575 # command:# request to SCWRL produces command: ulimit -t 147 ; scwrl3 -i /var/tmp/to_scwrl_1559629663.pdb -s /var/tmp/to_scwrl_1559629663.seq -o /var/tmp/from_scwrl_1559629663.pdb > /var/tmp/scwrl_1559629663.log sh: /var/tmp/scwrl_1559629663.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1559629663.pdb or /var/tmp/from_scwrl_1559629663.pdb.gz for input Warning: Couldn't open file /var/tmp/from_scwrl_1559629663_b.pdb or /var/tmp/from_scwrl_1559629663_b.pdb.gz for input Trying /var/tmp/from_scwrl_1559629663_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1559629663_b.pdb or /var/tmp/from_scwrl_1559629663_b.pdb.gz for input Warning: Couldn't open file /var/tmp/from_scwrl_1559629663_a.pdb or /var/tmp/from_scwrl_1559629663_a.pdb.gz for input Trying /var/tmp/from_scwrl_1559629663_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1559629663_a.pdb or /var/tmp/from_scwrl_1559629663_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1559629663.pdb or /var/tmp/from_scwrl_1559629663_b.pdb or /var/tmp/from_scwrl_1559629663_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 T0317.try1-opt2.pdb looking for model 1 # Found a chain break before 158 # 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 = -83.121 # GDT_score(maxd=8.000,maxw=2.900)= -85.709 # GDT_score(maxd=8.000,maxw=3.200)= -83.465 # GDT_score(maxd=8.000,maxw=3.500)= -80.685 # GDT_score(maxd=10.000,maxw=3.800)= -82.217 # GDT_score(maxd=10.000,maxw=4.000)= -80.232 # GDT_score(maxd=10.000,maxw=4.200)= -78.153 # GDT_score(maxd=12.000,maxw=4.300)= -80.951 # GDT_score(maxd=12.000,maxw=4.500)= -78.931 # GDT_score(maxd=12.000,maxw=4.700)= -76.814 # GDT_score(maxd=14.000,maxw=5.200)= -74.832 # GDT_score(maxd=14.000,maxw=5.500)= -71.756 # command:# Prefix for output files set to # command:Warning: Couldn't open file T0317.try1-real.pdb for output Error: Couldn't open file T0317.try1-real.pdb for output superimposing iter= 0 total_weight= 1807.000 rmsd (weighted)= 4.557 (unweighted)= 16.044 superimposing iter= 1 total_weight= 6635.237 rmsd (weighted)= 1.451 (unweighted)= 15.901 superimposing iter= 2 total_weight= 3353.093 rmsd (weighted)= 0.798 (unweighted)= 15.879 superimposing iter= 3 total_weight= 1976.513 rmsd (weighted)= 0.603 (unweighted)= 15.871 superimposing iter= 4 total_weight= 1445.850 rmsd (weighted)= 0.539 (unweighted)= 15.867 superimposing iter= 5 total_weight= 1263.319 rmsd (weighted)= 0.517 (unweighted)= 15.866 EXPDTA T0317.try1-opt2.pdb MODEL 1 REMARK 44 REMARK 44 model 1 is called T0317.try1-opt2.pdb ATOM 1 N MET A 1 13.466 22.744 -1.006 1.00 0.00 ATOM 2 CA MET A 1 12.934 23.877 -0.198 1.00 0.00 ATOM 3 CB MET A 1 13.659 23.940 1.146 1.00 0.00 ATOM 4 CG MET A 1 15.167 24.041 1.049 1.00 0.00 ATOM 5 SD MET A 1 15.947 23.853 2.675 1.00 0.00 ATOM 6 CE MET A 1 16.768 22.232 2.488 1.00 0.00 ATOM 7 O MET A 1 13.802 25.357 -1.884 1.00 0.00 ATOM 8 C MET A 1 13.058 25.220 -0.908 1.00 0.00 ATOM 9 N GLY A 2 12.315 26.202 -0.368 1.00 0.00 ATOM 10 CA GLY A 2 12.324 27.538 -0.931 1.00 0.00 ATOM 11 O GLY A 2 14.236 28.755 -1.696 1.00 0.00 ATOM 12 C GLY A 2 13.708 28.173 -0.760 1.00 0.00 ATOM 13 N THR A 3 14.299 28.025 0.427 1.00 0.00 ATOM 14 CA THR A 3 15.618 28.597 0.675 1.00 0.00 ATOM 15 CB THR A 3 15.987 28.494 2.142 1.00 0.00 ATOM 16 CG2 THR A 3 17.341 29.110 2.454 1.00 0.00 ATOM 17 OG1 THR A 3 14.963 29.163 2.936 1.00 0.00 ATOM 18 O THR A 3 17.501 28.537 -0.834 1.00 0.00 ATOM 19 C THR A 3 16.648 27.894 -0.209 1.00 0.00 ATOM 20 N SER A 4 16.592 26.484 -0.478 1.00 0.00 ATOM 21 CA SER A 4 17.511 25.749 -1.339 1.00 0.00 ATOM 22 CB SER A 4 17.276 24.263 -1.170 1.00 0.00 ATOM 23 OG SER A 4 18.034 23.521 -2.117 1.00 0.00 ATOM 24 O SER A 4 18.293 26.480 -3.516 1.00 0.00 ATOM 25 C SER A 4 17.325 26.185 -2.803 1.00 0.00 ATOM 26 N GLU A 5 16.091 26.262 -3.260 1.00 0.00 ATOM 27 CA GLU A 5 15.812 26.671 -4.657 1.00 0.00 ATOM 28 CB GLU A 5 14.344 26.471 -5.009 1.00 0.00 ATOM 29 CG GLU A 5 13.966 25.011 -5.129 1.00 0.00 ATOM 30 CD GLU A 5 12.518 24.801 -5.548 1.00 0.00 ATOM 31 OE1 GLU A 5 11.703 25.761 -5.503 1.00 0.00 ATOM 32 OE2 GLU A 5 12.199 23.660 -5.925 1.00 0.00 ATOM 33 O GLU A 5 16.782 28.500 -5.875 1.00 0.00 ATOM 34 C GLU A 5 16.236 28.127 -4.838 1.00 0.00 ATOM 35 N ALA A 6 15.951 28.970 -3.827 1.00 0.00 ATOM 36 CA ALA A 6 16.319 30.382 -3.880 1.00 0.00 ATOM 37 CB ALA A 6 15.779 31.187 -2.686 1.00 0.00 ATOM 38 O ALA A 6 18.422 31.319 -4.666 1.00 0.00 ATOM 39 C ALA A 6 17.845 30.495 -3.913 1.00 0.00 ATOM 40 N ALA A 7 18.555 29.695 -3.101 1.00 0.00 ATOM 41 CA ALA A 7 20.019 29.750 -3.117 1.00 0.00 ATOM 42 CB ALA A 7 20.558 29.057 -1.895 1.00 0.00 ATOM 43 O ALA A 7 19.736 28.063 -4.803 1.00 0.00 ATOM 44 C ALA A 7 20.480 28.907 -4.297 1.00 0.00 ATOM 45 N PRO A 8 21.725 29.102 -4.713 1.00 0.00 ATOM 46 CA PRO A 8 22.292 28.369 -5.851 1.00 0.00 ATOM 47 CB PRO A 8 23.724 28.878 -6.032 1.00 0.00 ATOM 48 CG PRO A 8 23.713 30.158 -5.217 1.00 0.00 ATOM 49 CD PRO A 8 22.706 29.968 -4.075 1.00 0.00 ATOM 50 O PRO A 8 22.427 26.486 -4.424 1.00 0.00 ATOM 51 C PRO A 8 22.177 26.872 -5.549 1.00 0.00 ATOM 52 N PRO A 9 21.773 26.035 -6.476 1.00 0.00 ATOM 53 CA PRO A 9 21.751 24.598 -6.198 1.00 0.00 ATOM 54 CB PRO A 9 21.198 23.955 -7.481 1.00 0.00 ATOM 55 CG PRO A 9 21.008 25.065 -8.453 1.00 0.00 ATOM 56 CD PRO A 9 21.180 26.372 -7.781 1.00 0.00 ATOM 57 O PRO A 9 23.296 23.722 -4.643 1.00 0.00 ATOM 58 C PRO A 9 23.147 24.206 -5.755 1.00 0.00 ATOM 59 N PRO A 10 24.171 24.306 -6.375 1.00 0.00 ATOM 60 CA PRO A 10 25.502 23.910 -5.907 1.00 0.00 ATOM 61 CB PRO A 10 26.337 23.948 -7.208 1.00 0.00 ATOM 62 CG PRO A 10 25.718 25.036 -7.998 1.00 0.00 ATOM 63 CD PRO A 10 24.272 25.166 -7.564 1.00 0.00 ATOM 64 O PRO A 10 26.025 25.931 -4.713 1.00 0.00 ATOM 65 C PRO A 10 26.256 24.749 -4.888 1.00 0.00 ATOM 66 N PHE A 11 27.468 24.040 -4.414 1.00 0.00 ATOM 67 CA PHE A 11 28.491 24.687 -3.609 1.00 0.00 ATOM 68 CB PHE A 11 29.360 23.582 -2.915 1.00 0.00 ATOM 69 CG PHE A 11 30.515 23.144 -3.777 1.00 0.00 ATOM 70 CD1 PHE A 11 31.808 23.585 -3.495 1.00 0.00 ATOM 71 CD2 PHE A 11 30.305 22.326 -4.881 1.00 0.00 ATOM 72 CE1 PHE A 11 32.883 23.198 -4.290 1.00 0.00 ATOM 73 CE2 PHE A 11 31.384 21.926 -5.694 1.00 0.00 ATOM 74 CZ PHE A 11 32.670 22.368 -5.395 1.00 0.00 ATOM 75 O PHE A 11 29.418 25.854 -5.480 1.00 0.00 ATOM 76 C PHE A 11 29.118 25.894 -4.290 1.00 0.00 ATOM 77 N ALA A 12 29.288 26.971 -3.528 1.00 0.00 ATOM 78 CA ALA A 12 29.858 28.187 -4.077 1.00 0.00 ATOM 79 CB ALA A 12 28.965 29.386 -3.796 1.00 0.00 ATOM 80 O ALA A 12 31.385 28.282 -2.230 1.00 0.00 ATOM 81 C ALA A 12 31.219 28.433 -3.442 1.00 0.00 ATOM 82 N ARG A 13 32.206 28.744 -4.280 1.00 0.00 ATOM 83 CA ARG A 13 33.559 29.016 -3.814 1.00 0.00 ATOM 84 CB ARG A 13 34.496 28.879 -4.985 1.00 0.00 ATOM 85 CG ARG A 13 35.995 29.000 -4.689 1.00 0.00 ATOM 86 CD ARG A 13 36.839 28.346 -5.713 1.00 0.00 ATOM 87 NE ARG A 13 38.283 28.591 -5.711 1.00 0.00 ATOM 88 CZ ARG A 13 39.171 27.855 -5.083 1.00 0.00 ATOM 89 NH1 ARG A 13 38.801 26.857 -4.294 1.00 0.00 ATOM 90 NH2 ARG A 13 40.451 28.116 -5.262 1.00 0.00 ATOM 91 O ARG A 13 33.267 31.402 -3.695 1.00 0.00 ATOM 92 C ARG A 13 33.611 30.370 -3.110 1.00 0.00 ATOM 93 N VAL A 14 33.999 30.348 -1.837 1.00 0.00 ATOM 94 CA VAL A 14 34.071 31.572 -1.050 1.00 0.00 ATOM 95 CB VAL A 14 33.608 31.297 0.392 1.00 0.00 ATOM 96 CG1 VAL A 14 33.812 32.529 1.261 1.00 0.00 ATOM 97 CG2 VAL A 14 32.133 30.927 0.418 1.00 0.00 ATOM 98 O VAL A 14 35.718 33.326 -1.171 1.00 0.00 ATOM 99 C VAL A 14 35.505 32.112 -1.105 1.00 0.00 ATOM 100 N ALA A 15 36.444 31.204 -0.980 1.00 0.00 ATOM 101 CA ALA A 15 37.855 31.569 -1.038 1.00 0.00 ATOM 102 CB ALA A 15 38.245 31.967 0.377 1.00 0.00 ATOM 103 O ALA A 15 38.007 29.228 -1.508 1.00 0.00 ATOM 104 C ALA A 15 38.582 30.317 -1.514 1.00 0.00 ATOM 105 N PRO A 16 39.822 30.464 -2.002 1.00 0.00 ATOM 106 CA PRO A 16 40.559 29.279 -2.457 1.00 0.00 ATOM 107 CB PRO A 16 41.956 29.816 -2.775 1.00 0.00 ATOM 108 CG PRO A 16 41.727 31.234 -3.179 1.00 0.00 ATOM 109 CD PRO A 16 40.643 31.755 -2.277 1.00 0.00 ATOM 110 O PRO A 16 40.945 28.628 -0.171 1.00 0.00 ATOM 111 C PRO A 16 40.555 28.280 -1.291 1.00 0.00 ATOM 112 N ALA A 17 40.122 26.984 -1.557 1.00 0.00 ATOM 113 CA ALA A 17 40.048 25.955 -0.535 1.00 0.00 ATOM 114 CB ALA A 17 41.286 25.996 0.348 1.00 0.00 ATOM 115 O ALA A 17 38.702 25.137 1.263 1.00 0.00 ATOM 116 C ALA A 17 38.840 26.007 0.397 1.00 0.00 ATOM 117 N LEU A 18 37.948 26.982 0.219 1.00 0.00 ATOM 118 CA LEU A 18 36.762 27.097 1.083 1.00 0.00 ATOM 119 CB LEU A 18 36.926 28.312 1.997 1.00 0.00 ATOM 120 CG LEU A 18 35.754 28.622 2.930 1.00 0.00 ATOM 121 CD1 LEU A 18 35.581 27.517 3.962 1.00 0.00 ATOM 122 CD2 LEU A 18 35.986 29.931 3.670 1.00 0.00 ATOM 123 O LEU A 18 35.320 28.190 -0.497 1.00 0.00 ATOM 124 C LEU A 18 35.438 27.298 0.341 1.00 0.00 ATOM 125 N PHE A 19 34.433 26.487 0.666 1.00 0.00 ATOM 126 CA PHE A 19 33.134 26.595 0.003 1.00 0.00 ATOM 127 CB PHE A 19 32.933 25.407 -0.941 1.00 0.00 ATOM 128 CG PHE A 19 33.969 25.312 -2.026 1.00 0.00 ATOM 129 CD1 PHE A 19 35.101 24.536 -1.854 1.00 0.00 ATOM 130 CD2 PHE A 19 33.809 25.999 -3.216 1.00 0.00 ATOM 131 CE1 PHE A 19 36.055 24.448 -2.852 1.00 0.00 ATOM 132 CE2 PHE A 19 34.762 25.911 -4.214 1.00 0.00 ATOM 133 CZ PHE A 19 35.881 25.141 -4.035 1.00 0.00 ATOM 134 O PHE A 19 31.983 26.124 2.066 1.00 0.00 ATOM 135 C PHE A 19 31.925 26.606 0.931 1.00 0.00 ATOM 136 N ILE A 20 30.826 27.153 0.413 1.00 0.00 ATOM 137 CA ILE A 20 29.559 27.235 1.130 1.00 0.00 ATOM 138 CB ILE A 20 29.071 28.691 1.247 1.00 0.00 ATOM 139 CG1 ILE A 20 30.082 29.532 2.031 1.00 0.00 ATOM 140 CG2 ILE A 20 27.733 28.749 1.969 1.00 0.00 ATOM 141 CD1 ILE A 20 29.810 31.019 1.981 1.00 0.00 ATOM 142 O ILE A 20 28.408 26.566 -0.858 1.00 0.00 ATOM 143 C ILE A 20 28.500 26.458 0.365 1.00 0.00 ATOM 144 N GLY A 21 27.717 25.682 1.057 1.00 0.00 ATOM 145 CA GLY A 21 26.678 24.906 0.404 1.00 0.00 ATOM 146 O GLY A 21 25.462 24.820 2.469 1.00 0.00 ATOM 147 C GLY A 21 25.503 24.512 1.280 1.00 0.00 ATOM 148 N ASN A 22 24.544 23.828 0.671 1.00 0.00 ATOM 149 CA ASN A 22 23.345 23.368 1.348 1.00 0.00 ATOM 150 CB ASN A 22 22.101 23.771 0.553 1.00 0.00 ATOM 151 CG ASN A 22 22.018 23.075 -0.791 1.00 0.00 ATOM 152 ND2 ASN A 22 21.091 23.523 -1.631 1.00 0.00 ATOM 153 OD1 ASN A 22 22.778 22.147 -1.069 1.00 0.00 ATOM 154 O ASN A 22 24.388 21.218 1.219 1.00 0.00 ATOM 155 C ASN A 22 23.390 21.846 1.532 1.00 0.00 ATOM 156 N ALA A 23 22.349 21.242 2.014 1.00 0.00 ATOM 157 CA ALA A 23 22.312 19.807 2.273 1.00 0.00 ATOM 158 CB ALA A 23 20.989 19.419 2.915 1.00 0.00 ATOM 159 O ALA A 23 22.903 17.858 0.997 1.00 0.00 ATOM 160 C ALA A 23 22.429 18.995 0.983 1.00 0.00 ATOM 161 N ARG A 24 21.999 19.570 -0.132 1.00 0.00 ATOM 162 CA ARG A 24 22.090 18.881 -1.411 1.00 0.00 ATOM 163 CB ARG A 24 21.224 19.580 -2.460 1.00 0.00 ATOM 164 CG ARG A 24 19.729 19.413 -2.242 1.00 0.00 ATOM 165 CD ARG A 24 18.930 20.198 -3.271 1.00 0.00 ATOM 166 NE ARG A 24 17.490 20.052 -3.073 1.00 0.00 ATOM 167 CZ ARG A 24 16.569 20.692 -3.784 1.00 0.00 ATOM 168 NH1 ARG A 24 15.281 20.497 -3.532 1.00 0.00 ATOM 169 NH2 ARG A 24 16.937 21.527 -4.746 1.00 0.00 ATOM 170 O ARG A 24 24.011 17.816 -2.374 1.00 0.00 ATOM 171 C ARG A 24 23.534 18.853 -1.917 1.00 0.00 ATOM 172 N ALA A 25 24.230 19.983 -1.829 1.00 0.00 ATOM 173 CA ALA A 25 25.625 20.036 -2.271 1.00 0.00 ATOM 174 CB ALA A 25 26.131 21.475 -2.204 1.00 0.00 ATOM 175 O ALA A 25 27.405 18.437 -1.966 1.00 0.00 ATOM 176 C ALA A 25 26.491 19.084 -1.434 1.00 0.00 ATOM 177 N ALA A 26 26.165 18.992 -0.143 1.00 0.00 ATOM 178 CA ALA A 26 26.907 18.136 0.779 1.00 0.00 ATOM 179 CB ALA A 26 26.312 18.242 2.175 1.00 0.00 ATOM 180 O ALA A 26 27.702 15.874 0.857 1.00 0.00 ATOM 181 C ALA A 26 26.864 16.656 0.413 1.00 0.00 ATOM 182 N GLY A 27 25.879 16.232 -0.414 1.00 0.00 ATOM 183 CA GLY A 27 25.771 14.846 -0.826 1.00 0.00 ATOM 184 O GLY A 27 26.120 13.537 -2.795 1.00 0.00 ATOM 185 C GLY A 27 26.088 14.660 -2.299 1.00 0.00 ATOM 186 N ALA A 28 26.306 15.765 -2.999 1.00 0.00 ATOM 187 CA ALA A 28 26.601 15.718 -4.424 1.00 0.00 ATOM 188 CB ALA A 28 26.466 17.103 -5.039 1.00 0.00 ATOM 189 O ALA A 28 28.978 16.005 -4.737 1.00 0.00 ATOM 190 C ALA A 28 28.028 15.220 -4.700 1.00 0.00 ATOM 191 N THR A 29 28.160 13.911 -4.904 1.00 0.00 ATOM 192 CA THR A 29 29.452 13.281 -5.174 1.00 0.00 ATOM 193 CB THR A 29 29.291 11.786 -5.509 1.00 0.00 ATOM 194 CG2 THR A 29 30.644 11.161 -5.813 1.00 0.00 ATOM 195 OG1 THR A 29 28.705 11.105 -4.393 1.00 0.00 ATOM 196 O THR A 29 31.403 13.998 -6.362 1.00 0.00 ATOM 197 C THR A 29 30.179 13.916 -6.349 1.00 0.00 ATOM 198 N GLU A 30 29.417 14.339 -7.349 1.00 0.00 ATOM 199 CA GLU A 30 30.002 14.963 -8.518 1.00 0.00 ATOM 200 CB GLU A 30 28.931 15.218 -9.580 1.00 0.00 ATOM 201 CG GLU A 30 28.394 13.957 -10.237 1.00 0.00 ATOM 202 CD GLU A 30 27.251 14.240 -11.194 1.00 0.00 ATOM 203 OE1 GLU A 30 26.831 15.412 -11.287 1.00 0.00 ATOM 204 OE2 GLU A 30 26.776 13.288 -11.848 1.00 0.00 ATOM 205 O GLU A 30 31.788 16.572 -8.453 1.00 0.00 ATOM 206 C GLU A 30 30.644 16.283 -8.098 1.00 0.00 ATOM 207 N LEU A 31 29.901 17.078 -7.332 1.00 0.00 ATOM 208 CA LEU A 31 30.404 18.362 -6.857 1.00 0.00 ATOM 209 CB LEU A 31 29.323 19.100 -6.068 1.00 0.00 ATOM 210 CG LEU A 31 28.124 19.609 -6.872 1.00 0.00 ATOM 211 CD1 LEU A 31 27.046 20.151 -5.946 1.00 0.00 ATOM 212 CD2 LEU A 31 28.544 20.725 -7.816 1.00 0.00 ATOM 213 O LEU A 31 32.568 18.852 -6.016 1.00 0.00 ATOM 214 C LEU A 31 31.589 18.148 -5.925 1.00 0.00 ATOM 215 N LEU A 32 31.477 17.158 -5.058 1.00 0.00 ATOM 216 CA LEU A 32 32.540 16.869 -4.105 1.00 0.00 ATOM 217 CB LEU A 32 32.132 15.692 -3.217 1.00 0.00 ATOM 218 CG LEU A 32 31.021 15.964 -2.199 1.00 0.00 ATOM 219 CD1 LEU A 32 30.591 14.676 -1.516 1.00 0.00 ATOM 220 CD2 LEU A 32 31.497 16.934 -1.129 1.00 0.00 ATOM 221 O LEU A 32 34.908 17.012 -4.485 1.00 0.00 ATOM 222 C LEU A 32 33.828 16.504 -4.824 1.00 0.00 ATOM 223 N VAL A 33 33.775 15.595 -5.747 1.00 0.00 ATOM 224 CA VAL A 33 34.959 15.167 -6.464 1.00 0.00 ATOM 225 CB VAL A 33 34.642 13.986 -7.400 1.00 0.00 ATOM 226 CG1 VAL A 33 35.853 13.646 -8.255 1.00 0.00 ATOM 227 CG2 VAL A 33 34.263 12.754 -6.592 1.00 0.00 ATOM 228 O VAL A 33 36.681 16.525 -7.381 1.00 0.00 ATOM 229 C VAL A 33 35.487 16.289 -7.339 1.00 0.00 ATOM 230 N ARG A 34 34.581 16.967 -8.019 1.00 0.00 ATOM 231 CA ARG A 34 34.979 18.053 -8.910 1.00 0.00 ATOM 232 CB ARG A 34 33.691 18.630 -9.555 1.00 0.00 ATOM 233 CG ARG A 34 33.934 19.655 -10.646 1.00 0.00 ATOM 234 CD ARG A 34 32.617 20.112 -11.266 1.00 0.00 ATOM 235 NE ARG A 34 31.935 19.045 -11.997 1.00 0.00 ATOM 236 CZ ARG A 34 30.693 18.625 -11.757 1.00 0.00 ATOM 237 NH1 ARG A 34 29.957 19.178 -10.795 1.00 0.00 ATOM 238 NH2 ARG A 34 30.196 17.616 -12.457 1.00 0.00 ATOM 239 O ARG A 34 36.730 19.665 -8.637 1.00 0.00 ATOM 240 C ARG A 34 35.747 19.078 -8.106 1.00 0.00 ATOM 241 N ALA A 35 35.353 19.374 -6.920 1.00 0.00 ATOM 242 CA ALA A 35 36.034 20.372 -6.073 1.00 0.00 ATOM 243 CB ALA A 35 35.032 20.910 -4.996 1.00 0.00 ATOM 244 O ALA A 35 38.006 20.579 -4.688 1.00 0.00 ATOM 245 C ALA A 35 37.218 19.808 -5.287 1.00 0.00 ATOM 246 N GLY A 36 37.300 18.468 -5.211 1.00 0.00 ATOM 247 CA GLY A 36 38.335 17.800 -4.423 1.00 0.00 ATOM 248 O GLY A 36 39.099 18.309 -2.199 1.00 0.00 ATOM 249 C GLY A 36 38.131 18.098 -2.937 1.00 0.00 ATOM 250 N ILE A 37 36.876 18.127 -2.503 1.00 0.00 ATOM 251 CA ILE A 37 36.559 18.391 -1.103 1.00 0.00 ATOM 252 CB ILE A 37 35.039 18.470 -0.873 1.00 0.00 ATOM 253 CG1 ILE A 37 34.448 19.667 -1.621 1.00 0.00 ATOM 254 CG2 ILE A 37 34.730 18.626 0.607 1.00 0.00 ATOM 255 CD1 ILE A 37 32.934 19.696 -1.630 1.00 0.00 ATOM 256 O ILE A 37 36.770 16.115 -0.384 1.00 0.00 ATOM 257 C ILE A 37 37.107 17.284 -0.208 1.00 0.00 ATOM 258 N THR A 38 37.956 17.659 0.748 1.00 0.00 ATOM 259 CA THR A 38 38.545 16.685 1.671 1.00 0.00 ATOM 260 CB THR A 38 40.080 16.801 1.709 1.00 0.00 ATOM 261 CG2 THR A 38 40.666 16.569 0.325 1.00 0.00 ATOM 262 OG1 THR A 38 40.453 18.110 2.157 1.00 0.00 ATOM 263 O THR A 38 38.120 15.959 3.916 1.00 0.00 ATOM 264 C THR A 38 38.018 16.862 3.088 1.00 0.00 ATOM 265 N LEU A 39 37.444 18.029 3.358 1.00 0.00 ATOM 266 CA LEU A 39 36.911 18.327 4.680 1.00 0.00 ATOM 267 CB LEU A 39 37.857 19.280 5.412 1.00 0.00 ATOM 268 CG LEU A 39 37.400 19.765 6.788 1.00 0.00 ATOM 269 CD1 LEU A 39 37.416 18.623 7.794 1.00 0.00 ATOM 270 CD2 LEU A 39 38.317 20.865 7.304 1.00 0.00 ATOM 271 O LEU A 39 35.260 19.750 3.691 1.00 0.00 ATOM 272 C LEU A 39 35.549 18.984 4.608 1.00 0.00 ATOM 273 N CYS A 40 34.720 18.695 5.597 1.00 0.00 ATOM 274 CA CYS A 40 33.383 19.243 5.646 1.00 0.00 ATOM 275 CB CYS A 40 32.375 18.245 5.068 1.00 0.00 ATOM 276 SG CYS A 40 32.612 17.877 3.314 1.00 0.00 ATOM 277 O CYS A 40 33.298 18.792 7.998 1.00 0.00 ATOM 278 C CYS A 40 32.992 19.548 7.073 1.00 0.00 ATOM 279 N VAL A 41 32.290 20.656 7.243 1.00 0.00 ATOM 280 CA VAL A 41 31.791 21.034 8.543 1.00 0.00 ATOM 281 CB VAL A 41 32.250 22.451 8.933 1.00 0.00 ATOM 282 CG1 VAL A 41 31.682 22.840 10.288 1.00 0.00 ATOM 283 CG2 VAL A 41 33.767 22.518 9.011 1.00 0.00 ATOM 284 O VAL A 41 29.708 21.858 7.686 1.00 0.00 ATOM 285 C VAL A 41 30.264 21.022 8.400 1.00 0.00 ATOM 286 N ASN A 42 29.659 20.092 9.066 1.00 0.00 ATOM 287 CA ASN A 42 28.199 19.939 9.006 1.00 0.00 ATOM 288 CB ASN A 42 27.929 18.412 8.997 1.00 0.00 ATOM 289 CG ASN A 42 26.440 18.038 8.998 1.00 0.00 ATOM 290 ND2 ASN A 42 26.180 16.728 8.868 1.00 0.00 ATOM 291 OD1 ASN A 42 25.564 18.918 9.118 1.00 0.00 ATOM 292 O ASN A 42 27.504 20.323 11.217 1.00 0.00 ATOM 293 C ASN A 42 27.452 20.697 10.057 1.00 0.00 ATOM 294 N VAL A 43 26.728 21.728 9.684 1.00 0.00 ATOM 295 CA VAL A 43 26.012 22.516 10.702 1.00 0.00 ATOM 296 CB VAL A 43 27.045 23.947 10.547 1.00 0.00 ATOM 297 CG1 VAL A 43 28.506 23.641 10.043 1.00 0.00 ATOM 298 CG2 VAL A 43 26.250 24.747 9.466 1.00 0.00 ATOM 299 O VAL A 43 23.718 23.172 11.105 1.00 0.00 ATOM 300 C VAL A 43 24.460 22.388 10.599 1.00 0.00 ATOM 301 N SER A 44 23.962 21.141 9.968 1.00 0.00 ATOM 302 CA SER A 44 22.564 20.834 9.905 1.00 0.00 ATOM 303 CB SER A 44 22.367 19.590 9.036 1.00 0.00 ATOM 304 OG SER A 44 21.004 19.198 9.009 1.00 0.00 ATOM 305 O SER A 44 22.878 19.938 12.110 1.00 0.00 ATOM 306 C SER A 44 22.179 20.629 11.364 1.00 0.00 ATOM 307 N ARG A 45 21.054 21.213 11.759 1.00 0.00 ATOM 308 CA ARG A 45 20.576 21.084 13.127 1.00 0.00 ATOM 309 CB ARG A 45 19.406 22.024 13.425 1.00 0.00 ATOM 310 CG ARG A 45 18.126 21.676 12.683 1.00 0.00 ATOM 311 CD ARG A 45 17.054 22.730 12.905 1.00 0.00 ATOM 312 NE ARG A 45 15.806 22.396 12.222 1.00 0.00 ATOM 313 CZ ARG A 45 15.572 22.632 10.936 1.00 0.00 ATOM 314 NH1 ARG A 45 14.406 22.292 10.401 1.00 0.00 ATOM 315 NH2 ARG A 45 16.503 23.207 10.188 1.00 0.00 ATOM 316 O ARG A 45 19.782 18.851 12.686 1.00 0.00 ATOM 317 C ARG A 45 20.070 19.698 13.530 1.00 0.00 ATOM 318 N GLN A 46 20.009 19.484 14.843 1.00 0.00 ATOM 319 CA GLN A 46 19.525 18.246 15.453 1.00 0.00 ATOM 320 CB GLN A 46 18.038 18.174 15.494 1.00 0.00 ATOM 321 CG GLN A 46 17.294 18.915 14.409 1.00 0.00 ATOM 322 CD GLN A 46 15.795 18.761 14.543 1.00 0.00 ATOM 323 OE1 GLN A 46 15.246 17.689 14.287 1.00 0.00 ATOM 324 NE2 GLN A 46 15.122 19.829 14.957 1.00 0.00 ATOM 325 O GLN A 46 19.742 15.920 14.942 1.00 0.00 ATOM 326 C GLN A 46 20.317 16.991 15.138 1.00 0.00 ATOM 327 N GLN A 47 21.634 17.114 15.110 1.00 0.00 ATOM 328 CA GLN A 47 22.483 15.967 14.829 1.00 0.00 ATOM 329 CB GLN A 47 23.194 16.127 13.476 1.00 0.00 ATOM 330 CG GLN A 47 22.300 16.408 12.286 1.00 0.00 ATOM 331 CD GLN A 47 23.090 16.503 10.993 1.00 0.00 ATOM 332 OE1 GLN A 47 22.552 16.870 9.948 1.00 0.00 ATOM 333 NE2 GLN A 47 24.373 16.168 11.058 1.00 0.00 ATOM 334 O GLN A 47 23.823 16.841 16.603 1.00 0.00 ATOM 335 C GLN A 47 23.476 15.844 15.966 1.00 0.00 ATOM 336 N PRO A 48 23.770 14.384 13.897 1.00 0.00 ATOM 337 CA PRO A 48 24.913 13.723 13.254 1.00 0.00 ATOM 338 CB PRO A 48 25.005 12.426 14.016 1.00 0.00 ATOM 339 CG PRO A 48 24.737 12.843 15.417 1.00 0.00 ATOM 340 CD PRO A 48 23.526 13.732 15.260 1.00 0.00 ATOM 341 O PRO A 48 23.278 12.939 11.680 1.00 0.00 ATOM 342 C PRO A 48 24.440 13.268 11.882 1.00 0.00 ATOM 343 N GLY A 49 25.403 13.197 10.929 1.00 0.00 ATOM 344 CA GLY A 49 25.124 12.728 9.587 1.00 0.00 ATOM 345 O GLY A 49 27.394 11.967 9.496 1.00 0.00 ATOM 346 C GLY A 49 26.237 11.807 9.108 1.00 0.00 ATOM 347 N PRO A 50 25.901 10.827 8.253 1.00 0.00 ATOM 348 CA PRO A 50 26.921 9.903 7.746 1.00 0.00 ATOM 349 CB PRO A 50 26.182 9.082 6.687 1.00 0.00 ATOM 350 CG PRO A 50 24.757 9.096 7.129 1.00 0.00 ATOM 351 CD PRO A 50 24.507 10.471 7.685 1.00 0.00 ATOM 352 O PRO A 50 27.838 11.649 6.386 1.00 0.00 ATOM 353 C PRO A 50 28.070 10.716 7.153 1.00 0.00 ATOM 354 N ARG A 51 29.303 10.370 7.515 1.00 0.00 ATOM 355 CA ARG A 51 30.464 11.098 7.018 1.00 0.00 ATOM 356 CB ARG A 51 31.570 11.223 8.025 1.00 0.00 ATOM 357 CG ARG A 51 31.729 10.072 8.947 1.00 0.00 ATOM 358 CD ARG A 51 32.616 10.384 10.170 1.00 0.00 ATOM 359 NE ARG A 51 33.929 10.931 9.793 1.00 0.00 ATOM 360 CZ ARG A 51 34.866 11.330 10.651 1.00 0.00 ATOM 361 NH1 ARG A 51 34.654 11.255 11.966 1.00 0.00 ATOM 362 NH2 ARG A 51 36.013 11.812 10.197 1.00 0.00 ATOM 363 O ARG A 51 31.024 9.106 5.792 1.00 0.00 ATOM 364 C ARG A 51 30.877 10.342 5.763 1.00 0.00 ATOM 365 N ALA A 52 30.543 10.790 4.463 1.00 0.00 ATOM 366 CA ALA A 52 30.998 10.205 3.215 1.00 0.00 ATOM 367 CB ALA A 52 30.882 11.172 2.079 1.00 0.00 ATOM 368 O ALA A 52 33.151 10.442 4.245 1.00 0.00 ATOM 369 C ALA A 52 32.446 9.804 3.467 1.00 0.00 ATOM 370 N PRO A 53 32.888 8.745 2.796 1.00 0.00 ATOM 371 CA PRO A 53 34.252 8.258 2.962 1.00 0.00 ATOM 372 CB PRO A 53 34.263 6.919 2.222 1.00 0.00 ATOM 373 CG PRO A 53 33.180 7.045 1.204 1.00 0.00 ATOM 374 CD PRO A 53 32.104 7.879 1.842 1.00 0.00 ATOM 375 O PRO A 53 35.016 9.876 1.363 1.00 0.00 ATOM 376 C PRO A 53 35.281 9.191 2.353 1.00 0.00 ATOM 377 N GLY A 54 36.462 9.200 2.959 1.00 0.00 ATOM 378 CA GLY A 54 37.575 10.006 2.488 1.00 0.00 ATOM 379 O GLY A 54 38.071 12.316 2.158 1.00 0.00 ATOM 380 C GLY A 54 37.415 11.479 2.777 1.00 0.00 ATOM 381 N VAL A 55 36.543 11.843 3.717 1.00 0.00 ATOM 382 CA VAL A 55 36.323 13.239 4.046 1.00 0.00 ATOM 383 CB VAL A 55 35.033 13.799 3.364 1.00 0.00 ATOM 384 CG1 VAL A 55 33.750 13.138 3.883 1.00 0.00 ATOM 385 CG2 VAL A 55 34.933 15.304 3.580 1.00 0.00 ATOM 386 O VAL A 55 35.778 12.545 6.280 1.00 0.00 ATOM 387 C VAL A 55 36.343 13.369 5.566 1.00 0.00 ATOM 388 N ALA A 56 37.010 14.401 6.058 1.00 0.00 ATOM 389 CA ALA A 56 37.090 14.623 7.492 1.00 0.00 ATOM 390 CB ALA A 56 38.444 15.205 7.864 1.00 0.00 ATOM 391 O ALA A 56 35.861 16.675 7.310 1.00 0.00 ATOM 392 C ALA A 56 35.953 15.575 7.852 1.00 0.00 ATOM 393 N GLU A 57 35.091 15.139 8.761 1.00 0.00 ATOM 394 CA GLU A 57 33.929 15.922 9.160 1.00 0.00 ATOM 395 CB GLU A 57 32.689 14.972 9.041 1.00 0.00 ATOM 396 CG GLU A 57 31.363 15.674 9.350 1.00 0.00 ATOM 397 CD GLU A 57 30.149 14.784 9.300 1.00 0.00 ATOM 398 OE1 GLU A 57 30.267 13.590 8.963 1.00 0.00 ATOM 399 OE2 GLU A 57 29.019 15.253 9.612 1.00 0.00 ATOM 400 O GLU A 57 34.312 15.790 11.515 1.00 0.00 ATOM 401 C GLU A 57 33.966 16.489 10.559 1.00 0.00 ATOM 402 N LEU A 58 33.626 17.785 10.663 1.00 0.00 ATOM 403 CA LEU A 58 33.324 18.364 11.956 1.00 0.00 ATOM 404 CB LEU A 58 34.087 19.679 12.116 1.00 0.00 ATOM 405 CG LEU A 58 35.585 19.572 12.177 1.00 0.00 ATOM 406 CD1 LEU A 58 36.173 20.977 12.192 1.00 0.00 ATOM 407 CD2 LEU A 58 35.976 18.799 13.431 1.00 0.00 ATOM 408 O LEU A 58 31.203 19.247 11.254 1.00 0.00 ATOM 409 C LEU A 58 31.824 18.593 12.101 1.00 0.00 ATOM 410 N ARG A 59 31.233 18.020 13.142 1.00 0.00 ATOM 411 CA ARG A 59 29.804 18.172 13.371 1.00 0.00 ATOM 412 CB ARG A 59 29.186 16.759 13.617 1.00 0.00 ATOM 413 CG ARG A 59 29.389 15.759 12.496 1.00 0.00 ATOM 414 CD ARG A 59 28.962 14.369 12.927 1.00 0.00 ATOM 415 NE ARG A 59 29.048 13.408 11.831 1.00 0.00 ATOM 416 CZ ARG A 59 28.818 12.106 11.965 1.00 0.00 ATOM 417 NH1 ARG A 59 28.487 11.608 13.150 1.00 0.00 ATOM 418 NH2 ARG A 59 28.911 11.302 10.918 1.00 0.00 ATOM 419 O ARG A 59 30.056 19.351 15.448 1.00 0.00 ATOM 420 C ARG A 59 29.501 19.298 14.351 1.00 0.00 ATOM 421 N VAL A 60 28.623 20.197 13.924 1.00 0.00 ATOM 422 CA VAL A 60 28.199 21.339 14.723 1.00 0.00 ATOM 423 CB VAL A 60 28.682 22.670 14.116 1.00 0.00 ATOM 424 CG1 VAL A 60 28.222 23.842 14.970 1.00 0.00 ATOM 425 CG2 VAL A 60 30.199 22.700 14.036 1.00 0.00 ATOM 426 O VAL A 60 25.980 21.814 13.899 1.00 0.00 ATOM 427 C VAL A 60 26.649 21.334 14.799 1.00 0.00 ATOM 428 N PRO A 61 26.125 20.639 15.894 1.00 0.00 ATOM 429 CA PRO A 61 24.658 20.557 16.034 1.00 0.00 ATOM 430 CB PRO A 61 24.438 19.470 17.112 1.00 0.00 ATOM 431 CG PRO A 61 25.713 19.270 17.810 1.00 0.00 ATOM 432 CD PRO A 61 26.836 19.941 16.956 1.00 0.00 ATOM 433 O PRO A 61 23.662 22.008 17.645 1.00 0.00 ATOM 434 C PRO A 61 23.977 21.839 16.472 1.00 0.00 ATOM 435 N VAL A 62 23.729 22.729 15.522 1.00 0.00 ATOM 436 CA VAL A 62 23.106 24.005 15.831 1.00 0.00 ATOM 437 CB VAL A 62 24.112 25.166 15.718 1.00 0.00 ATOM 438 CG1 VAL A 62 25.246 24.986 16.714 1.00 0.00 ATOM 439 CG2 VAL A 62 24.705 25.223 14.319 1.00 0.00 ATOM 440 O VAL A 62 22.044 24.109 13.680 1.00 0.00 ATOM 441 C VAL A 62 21.951 24.321 14.889 1.00 0.00 ATOM 442 N PHE A 63 20.866 24.833 15.457 1.00 0.00 ATOM 443 CA PHE A 63 19.688 25.194 14.682 1.00 0.00 ATOM 444 CB PHE A 63 18.487 25.456 15.599 1.00 0.00 ATOM 445 CG PHE A 63 17.719 24.230 15.972 1.00 0.00 ATOM 446 CD1 PHE A 63 16.327 24.234 15.849 1.00 0.00 ATOM 447 CD2 PHE A 63 18.364 23.100 16.509 1.00 0.00 ATOM 448 CE1 PHE A 63 15.564 23.128 16.248 1.00 0.00 ATOM 449 CE2 PHE A 63 17.619 21.971 16.928 1.00 0.00 ATOM 450 CZ PHE A 63 16.213 21.984 16.795 1.00 0.00 ATOM 451 O PHE A 63 20.600 27.420 14.723 1.00 0.00 ATOM 452 C PHE A 63 19.806 26.640 14.192 1.00 0.00 ATOM 453 N ASP A 64 19.013 27.008 13.191 1.00 0.00 ATOM 454 CA ASP A 64 19.056 28.371 12.689 1.00 0.00 ATOM 455 CB ASP A 64 18.746 28.401 11.192 1.00 0.00 ATOM 456 CG ASP A 64 18.947 29.774 10.582 1.00 0.00 ATOM 457 OD1 ASP A 64 19.375 30.692 11.313 1.00 0.00 ATOM 458 OD2 ASP A 64 18.678 29.933 9.373 1.00 0.00 ATOM 459 O ASP A 64 16.947 29.501 12.868 1.00 0.00 ATOM 460 C ASP A 64 18.047 29.284 13.381 1.00 0.00 ATOM 461 N ASP A 65 18.421 29.800 14.551 1.00 0.00 ATOM 462 CA ASP A 65 17.576 30.727 15.302 1.00 0.00 ATOM 463 CB ASP A 65 16.840 29.990 16.424 1.00 0.00 ATOM 464 CG ASP A 65 15.872 30.886 17.172 1.00 0.00 ATOM 465 OD1 ASP A 65 14.845 31.277 16.578 1.00 0.00 ATOM 466 OD2 ASP A 65 16.141 31.199 18.351 1.00 0.00 ATOM 467 O ASP A 65 19.637 31.460 16.281 1.00 0.00 ATOM 468 C ASP A 65 18.519 31.774 15.871 1.00 0.00 ATOM 469 N PRO A 66 18.085 33.040 15.897 1.00 0.00 ATOM 470 CA PRO A 66 18.930 34.118 16.416 1.00 0.00 ATOM 471 CB PRO A 66 18.065 35.371 16.268 1.00 0.00 ATOM 472 CG PRO A 66 16.662 34.862 16.298 1.00 0.00 ATOM 473 CD PRO A 66 16.688 33.532 15.597 1.00 0.00 ATOM 474 O PRO A 66 20.403 34.632 18.248 1.00 0.00 ATOM 475 C PRO A 66 19.434 33.980 17.856 1.00 0.00 ATOM 476 N ALA A 67 18.784 33.149 18.640 1.00 0.00 ATOM 477 CA ALA A 67 19.172 32.941 20.032 1.00 0.00 ATOM 478 CB ALA A 67 17.985 32.464 20.853 1.00 0.00 ATOM 479 O ALA A 67 20.940 31.899 21.300 1.00 0.00 ATOM 480 C ALA A 67 20.298 31.927 20.247 1.00 0.00 ATOM 481 N GLU A 68 20.533 31.096 19.243 1.00 0.00 ATOM 482 CA GLU A 68 21.572 30.088 19.323 1.00 0.00 ATOM 483 CB GLU A 68 21.450 29.099 18.162 1.00 0.00 ATOM 484 CG GLU A 68 22.441 27.948 18.219 1.00 0.00 ATOM 485 CD GLU A 68 22.261 27.086 19.453 1.00 0.00 ATOM 486 OE1 GLU A 68 21.124 26.635 19.702 1.00 0.00 ATOM 487 OE2 GLU A 68 23.259 26.860 20.170 1.00 0.00 ATOM 488 O GLU A 68 23.286 31.453 18.345 1.00 0.00 ATOM 489 C GLU A 68 22.963 30.707 19.263 1.00 0.00 ATOM 490 N ASP A 69 23.803 30.418 20.265 1.00 0.00 ATOM 491 CA ASP A 69 25.159 30.967 20.298 1.00 0.00 ATOM 492 CB ASP A 69 25.707 30.956 21.726 1.00 0.00 ATOM 493 CG ASP A 69 27.028 31.689 21.849 1.00 0.00 ATOM 494 OD1 ASP A 69 27.446 32.330 20.861 1.00 0.00 ATOM 495 OD2 ASP A 69 27.647 31.622 22.931 1.00 0.00 ATOM 496 O ASP A 69 27.028 29.515 19.992 1.00 0.00 ATOM 497 C ASP A 69 26.178 30.209 19.446 1.00 0.00 ATOM 498 N LEU A 70 26.079 30.322 18.118 1.00 0.00 ATOM 499 CA LEU A 70 27.035 29.642 17.236 1.00 0.00 ATOM 500 CB LEU A 70 26.663 29.863 15.769 1.00 0.00 ATOM 501 CG LEU A 70 27.445 29.044 14.740 1.00 0.00 ATOM 502 CD1 LEU A 70 27.250 27.555 14.979 1.00 0.00 ATOM 503 CD2 LEU A 70 26.974 29.366 13.328 1.00 0.00 ATOM 504 O LEU A 70 29.415 29.563 17.083 1.00 0.00 ATOM 505 C LEU A 70 28.430 30.186 17.474 1.00 0.00 ATOM 506 N LEU A 71 28.507 31.356 18.103 1.00 0.00 ATOM 507 CA LEU A 71 29.795 31.985 18.377 1.00 0.00 ATOM 508 CB LEU A 71 29.597 33.316 19.105 1.00 0.00 ATOM 509 CG LEU A 71 30.843 34.188 19.273 1.00 0.00 ATOM 510 CD1 LEU A 71 31.426 34.559 17.919 1.00 0.00 ATOM 511 CD2 LEU A 71 30.504 35.474 20.012 1.00 0.00 ATOM 512 O LEU A 71 31.877 31.110 19.154 1.00 0.00 ATOM 513 C LEU A 71 30.656 31.044 19.216 1.00 0.00 ATOM 514 N THR A 72 30.000 30.173 19.964 1.00 0.00 ATOM 515 CA THR A 72 30.768 29.243 20.799 1.00 0.00 ATOM 516 CB THR A 72 29.833 28.459 21.740 1.00 0.00 ATOM 517 CG2 THR A 72 29.067 29.412 22.645 1.00 0.00 ATOM 518 OG1 THR A 72 28.896 27.700 20.965 1.00 0.00 ATOM 519 O THR A 72 32.445 27.547 20.507 1.00 0.00 ATOM 520 C THR A 72 31.554 28.220 19.981 1.00 0.00 ATOM 521 N HIS A 73 31.242 28.126 18.704 1.00 0.00 ATOM 522 CA HIS A 73 31.923 27.190 17.807 1.00 0.00 ATOM 523 CB HIS A 73 30.916 26.361 17.007 1.00 0.00 ATOM 524 CG HIS A 73 30.019 25.517 17.857 1.00 0.00 ATOM 525 CD2 HIS A 73 28.600 25.513 18.185 1.00 0.00 ATOM 526 ND1 HIS A 73 30.477 24.435 18.579 1.00 0.00 ATOM 527 CE1 HIS A 73 29.444 23.881 19.238 1.00 0.00 ATOM 528 NE2 HIS A 73 28.315 24.523 19.006 1.00 0.00 ATOM 529 O HIS A 73 33.514 27.231 16.020 1.00 0.00 ATOM 530 C HIS A 73 32.855 27.889 16.820 1.00 0.00 ATOM 531 N LEU A 74 32.942 29.181 16.839 1.00 0.00 ATOM 532 CA LEU A 74 33.784 29.931 15.913 1.00 0.00 ATOM 533 CB LEU A 74 33.711 31.426 16.303 1.00 0.00 ATOM 534 CG LEU A 74 32.335 32.083 16.099 1.00 0.00 ATOM 535 CD1 LEU A 74 32.525 33.600 16.194 1.00 0.00 ATOM 536 CD2 LEU A 74 31.776 31.771 14.719 1.00 0.00 ATOM 537 O LEU A 74 35.856 29.252 14.900 1.00 0.00 ATOM 538 C LEU A 74 35.252 29.507 15.944 1.00 0.00 ATOM 539 N GLU A 75 35.827 29.443 17.141 1.00 0.00 ATOM 540 CA GLU A 75 37.230 29.086 17.288 1.00 0.00 ATOM 541 CB GLU A 75 37.611 29.007 18.768 1.00 0.00 ATOM 542 CG GLU A 75 39.073 28.671 19.016 1.00 0.00 ATOM 543 CD GLU A 75 39.402 28.554 20.491 1.00 0.00 ATOM 544 OE1 GLU A 75 38.489 28.752 21.321 1.00 0.00 ATOM 545 OE2 GLU A 75 40.571 28.264 20.818 1.00 0.00 ATOM 546 O GLU A 75 38.442 27.625 15.814 1.00 0.00 ATOM 547 C GLU A 75 37.559 27.737 16.664 1.00 0.00 ATOM 548 N PRO A 76 36.841 26.708 17.090 1.00 0.00 ATOM 549 CA PRO A 76 37.088 25.375 16.573 1.00 0.00 ATOM 550 CB PRO A 76 36.095 24.493 17.333 1.00 0.00 ATOM 551 CG PRO A 76 35.879 25.205 18.627 1.00 0.00 ATOM 552 CD PRO A 76 35.867 26.671 18.300 1.00 0.00 ATOM 553 O PRO A 76 37.682 24.649 14.361 1.00 0.00 ATOM 554 C PRO A 76 36.889 25.282 15.060 1.00 0.00 ATOM 555 N THR A 77 35.838 25.922 14.527 1.00 0.00 ATOM 556 CA THR A 77 35.567 25.871 13.097 1.00 0.00 ATOM 557 CB THR A 77 34.239 26.565 12.740 1.00 0.00 ATOM 558 CG2 THR A 77 34.003 26.523 11.239 1.00 0.00 ATOM 559 OG1 THR A 77 33.156 25.898 13.400 1.00 0.00 ATOM 560 O THR A 77 37.145 26.039 11.283 1.00 0.00 ATOM 561 C THR A 77 36.671 26.557 12.303 1.00 0.00 ATOM 562 N CYS A 78 37.081 27.731 12.768 1.00 0.00 ATOM 563 CA CYS A 78 38.126 28.470 12.085 1.00 0.00 ATOM 564 CB CYS A 78 38.344 29.829 12.753 1.00 0.00 ATOM 565 SG CYS A 78 36.964 30.984 12.569 1.00 0.00 ATOM 566 O CYS A 78 40.169 27.655 11.091 1.00 0.00 ATOM 567 C CYS A 78 39.436 27.669 12.084 1.00 0.00 ATOM 568 N ALA A 79 39.707 27.003 13.184 1.00 0.00 ATOM 569 CA ALA A 79 40.931 26.215 13.306 1.00 0.00 ATOM 570 CB ALA A 79 41.115 25.716 14.731 1.00 0.00 ATOM 571 O ALA A 79 41.888 24.678 11.749 1.00 0.00 ATOM 572 C ALA A 79 40.888 25.026 12.372 1.00 0.00 ATOM 573 N ALA A 80 39.714 24.414 12.275 1.00 0.00 ATOM 574 CA ALA A 80 39.501 23.267 11.402 1.00 0.00 ATOM 575 CB ALA A 80 38.074 22.757 11.534 1.00 0.00 ATOM 576 O ALA A 80 40.373 22.996 9.192 1.00 0.00 ATOM 577 C ALA A 80 39.696 23.671 9.954 1.00 0.00 ATOM 578 N MET A 81 39.062 24.792 9.531 1.00 0.00 ATOM 579 CA MET A 81 39.168 25.252 8.156 1.00 0.00 ATOM 580 CB MET A 81 38.297 26.465 7.928 1.00 0.00 ATOM 581 CG MET A 81 36.838 26.136 8.057 1.00 0.00 ATOM 582 SD MET A 81 35.877 27.610 8.241 1.00 0.00 ATOM 583 CE MET A 81 36.204 28.371 6.718 1.00 0.00 ATOM 584 O MET A 81 41.097 25.266 6.724 1.00 0.00 ATOM 585 C MET A 81 40.595 25.645 7.783 1.00 0.00 ATOM 586 N GLU A 82 41.239 26.408 8.657 1.00 0.00 ATOM 587 CA GLU A 82 42.595 26.865 8.401 1.00 0.00 ATOM 588 CB GLU A 82 43.100 27.720 9.564 1.00 0.00 ATOM 589 CG GLU A 82 44.498 28.279 9.363 1.00 0.00 ATOM 590 CD GLU A 82 44.953 29.149 10.519 1.00 0.00 ATOM 591 OE1 GLU A 82 44.167 29.323 11.474 1.00 0.00 ATOM 592 OE2 GLU A 82 46.093 29.654 10.471 1.00 0.00 ATOM 593 O GLU A 82 44.339 25.657 7.274 1.00 0.00 ATOM 594 C GLU A 82 43.555 25.692 8.228 1.00 0.00 ATOM 595 N ALA A 83 43.521 24.756 9.171 1.00 0.00 ATOM 596 CA ALA A 83 44.387 23.585 9.115 1.00 0.00 ATOM 597 CB ALA A 83 44.041 22.616 10.236 1.00 0.00 ATOM 598 O ALA A 83 45.174 22.483 7.119 1.00 0.00 ATOM 599 C ALA A 83 44.200 22.874 7.778 1.00 0.00 ATOM 600 N ALA A 84 42.943 22.709 7.378 1.00 0.00 ATOM 601 CA ALA A 84 42.642 22.056 6.114 1.00 0.00 ATOM 602 CB ALA A 84 41.138 21.971 5.907 1.00 0.00 ATOM 603 O ALA A 84 43.893 22.241 4.052 1.00 0.00 ATOM 604 C ALA A 84 43.236 22.825 4.921 1.00 0.00 ATOM 605 N VAL A 85 43.016 24.132 4.884 1.00 0.00 ATOM 606 CA VAL A 85 43.522 24.936 3.775 1.00 0.00 ATOM 607 CB VAL A 85 43.077 26.406 3.896 1.00 0.00 ATOM 608 CG1 VAL A 85 43.774 27.261 2.848 1.00 0.00 ATOM 609 CG2 VAL A 85 41.576 26.527 3.693 1.00 0.00 ATOM 610 O VAL A 85 45.583 24.694 2.613 1.00 0.00 ATOM 611 C VAL A 85 45.012 24.970 3.687 1.00 0.00 ATOM 612 N ARG A 86 45.726 25.313 4.774 1.00 0.00 ATOM 613 CA ARG A 86 47.174 25.360 4.744 1.00 0.00 ATOM 614 CB ARG A 86 47.587 26.020 6.122 1.00 0.00 ATOM 615 CG ARG A 86 49.034 26.413 6.279 1.00 0.00 ATOM 616 CD ARG A 86 49.617 26.359 7.655 1.00 0.00 ATOM 617 NE ARG A 86 48.859 26.171 8.877 1.00 0.00 ATOM 618 CZ ARG A 86 47.865 26.961 9.275 1.00 0.00 ATOM 619 NH1 ARG A 86 47.632 27.933 8.408 1.00 0.00 ATOM 620 NH2 ARG A 86 47.154 26.838 10.381 1.00 0.00 ATOM 621 O ARG A 86 49.002 24.016 3.957 1.00 0.00 ATOM 622 C ARG A 86 47.872 24.031 4.451 1.00 0.00 ATOM 623 N ASP A 87 47.165 22.948 4.697 1.00 0.00 ATOM 624 CA ASP A 87 47.678 21.600 4.462 1.00 0.00 ATOM 625 CB ASP A 87 47.240 20.673 5.597 1.00 0.00 ATOM 626 CG ASP A 87 47.951 20.973 6.902 1.00 0.00 ATOM 627 OD1 ASP A 87 48.958 21.711 6.874 1.00 0.00 ATOM 628 OD2 ASP A 87 47.503 20.469 7.953 1.00 0.00 ATOM 629 O ASP A 87 47.266 19.766 2.963 1.00 0.00 ATOM 630 C ASP A 87 47.234 20.982 3.134 1.00 0.00 ATOM 631 N GLY A 88 46.804 21.820 2.203 1.00 0.00 ATOM 632 CA GLY A 88 46.428 21.343 0.883 1.00 0.00 ATOM 633 O GLY A 88 44.858 20.005 -0.361 1.00 0.00 ATOM 634 C GLY A 88 45.076 20.682 0.659 1.00 0.00 ATOM 635 N GLY A 89 44.145 20.871 1.547 1.00 0.00 ATOM 636 CA GLY A 89 42.820 20.289 1.432 1.00 0.00 ATOM 637 O GLY A 89 42.099 22.367 0.493 1.00 0.00 ATOM 638 C GLY A 89 41.772 21.265 0.930 1.00 0.00 ATOM 639 N SER A 90 40.509 20.852 0.970 1.00 0.00 ATOM 640 CA SER A 90 39.405 21.707 0.549 1.00 0.00 ATOM 641 CB SER A 90 38.964 21.350 -0.872 1.00 0.00 ATOM 642 OG SER A 90 37.884 22.166 -1.291 1.00 0.00 ATOM 643 O SER A 90 37.722 20.380 1.654 1.00 0.00 ATOM 644 C SER A 90 38.223 21.496 1.494 1.00 0.00 ATOM 645 N CYS A 91 37.733 22.575 2.056 1.00 0.00 ATOM 646 CA CYS A 91 36.682 22.481 3.052 1.00 0.00 ATOM 647 CB CYS A 91 37.029 23.234 4.337 1.00 0.00 ATOM 648 SG CYS A 91 35.734 23.192 5.599 1.00 0.00 ATOM 649 O CYS A 91 35.215 24.209 2.249 1.00 0.00 ATOM 650 C CYS A 91 35.324 23.052 2.657 1.00 0.00 ATOM 651 N LEU A 92 34.308 22.213 2.775 1.00 0.00 ATOM 652 CA LEU A 92 32.951 22.621 2.439 1.00 0.00 ATOM 653 CB LEU A 92 32.271 21.554 1.578 1.00 0.00 ATOM 654 CG LEU A 92 30.812 21.820 1.198 1.00 0.00 ATOM 655 CD1 LEU A 92 30.703 23.049 0.310 1.00 0.00 ATOM 656 CD2 LEU A 92 30.230 20.635 0.443 1.00 0.00 ATOM 657 O LEU A 92 32.127 21.890 4.564 1.00 0.00 ATOM 658 C LEU A 92 32.191 22.805 3.747 1.00 0.00 ATOM 659 N VAL A 93 31.667 24.000 3.975 1.00 0.00 ATOM 660 CA VAL A 93 30.877 24.230 5.179 1.00 0.00 ATOM 661 CB VAL A 93 31.269 25.542 5.883 1.00 0.00 ATOM 662 CG1 VAL A 93 30.379 25.783 7.093 1.00 0.00 ATOM 663 CG2 VAL A 93 32.714 25.482 6.353 1.00 0.00 ATOM 664 O VAL A 93 29.143 25.043 3.773 1.00 0.00 ATOM 665 C VAL A 93 29.436 24.304 4.727 1.00 0.00 ATOM 666 N TYR A 94 28.510 23.534 5.398 1.00 0.00 ATOM 667 CA TYR A 94 27.150 23.518 4.884 1.00 0.00 ATOM 668 CB TYR A 94 26.865 22.318 3.978 1.00 0.00 ATOM 669 CG TYR A 94 27.008 20.982 4.671 1.00 0.00 ATOM 670 CD1 TYR A 94 25.912 20.366 5.261 1.00 0.00 ATOM 671 CD2 TYR A 94 28.238 20.338 4.730 1.00 0.00 ATOM 672 CE1 TYR A 94 26.033 19.145 5.897 1.00 0.00 ATOM 673 CE2 TYR A 94 28.378 19.116 5.360 1.00 0.00 ATOM 674 CZ TYR A 94 27.261 18.521 5.946 1.00 0.00 ATOM 675 OH TYR A 94 27.383 17.306 6.577 1.00 0.00 ATOM 676 O TYR A 94 26.400 22.978 7.116 1.00 0.00 ATOM 677 C TYR A 94 26.120 23.443 6.006 1.00 0.00 ATOM 678 N CYS A 95 24.922 23.921 5.684 1.00 0.00 ATOM 679 CA CYS A 95 23.766 23.904 6.575 1.00 0.00 ATOM 680 CB CYS A 95 23.607 25.257 7.272 1.00 0.00 ATOM 681 SG CYS A 95 23.211 26.627 6.163 1.00 0.00 ATOM 682 O CYS A 95 22.824 23.606 4.397 1.00 0.00 ATOM 683 C CYS A 95 22.628 23.564 5.617 1.00 0.00 ATOM 684 N LYS A 96 21.497 23.115 6.154 1.00 0.00 ATOM 685 CA LYS A 96 20.379 22.674 5.318 1.00 0.00 ATOM 686 CB LYS A 96 19.099 22.584 6.152 1.00 0.00 ATOM 687 CG LYS A 96 17.888 22.089 5.380 1.00 0.00 ATOM 688 CD LYS A 96 16.677 21.937 6.287 1.00 0.00 ATOM 689 CE LYS A 96 15.442 21.535 5.498 1.00 0.00 ATOM 690 NZ LYS A 96 14.281 21.257 6.387 1.00 0.00 ATOM 691 O LYS A 96 20.278 23.184 2.979 1.00 0.00 ATOM 692 C LYS A 96 20.035 23.559 4.127 1.00 0.00 ATOM 693 N ASN A 97 19.611 24.886 4.401 1.00 0.00 ATOM 694 CA ASN A 97 19.235 25.827 3.353 1.00 0.00 ATOM 695 CB ASN A 97 18.331 26.922 3.926 1.00 0.00 ATOM 696 CG ASN A 97 16.982 26.391 4.367 1.00 0.00 ATOM 697 ND2 ASN A 97 16.319 27.126 5.252 1.00 0.00 ATOM 698 OD1 ASN A 97 16.543 25.334 3.916 1.00 0.00 ATOM 699 O ASN A 97 20.177 27.054 1.521 1.00 0.00 ATOM 700 C ASN A 97 20.372 26.520 2.615 1.00 0.00 ATOM 701 N GLY A 98 21.557 26.504 3.209 1.00 0.00 ATOM 702 CA GLY A 98 22.686 27.161 2.581 1.00 0.00 ATOM 703 O GLY A 98 23.350 29.397 2.053 1.00 0.00 ATOM 704 C GLY A 98 22.602 28.675 2.718 1.00 0.00 ATOM 705 N ARG A 99 21.760 29.226 3.741 1.00 0.00 ATOM 706 CA ARG A 99 21.454 30.638 3.844 1.00 0.00 ATOM 707 CB ARG A 99 19.988 30.883 4.155 1.00 0.00 ATOM 708 CG ARG A 99 19.624 32.355 4.349 1.00 0.00 ATOM 709 CD ARG A 99 18.112 32.543 4.371 1.00 0.00 ATOM 710 NE ARG A 99 17.403 31.821 5.440 1.00 0.00 ATOM 711 CZ ARG A 99 17.267 32.277 6.691 1.00 0.00 ATOM 712 NH1 ARG A 99 16.595 31.577 7.581 1.00 0.00 ATOM 713 NH2 ARG A 99 17.827 33.428 7.058 1.00 0.00 ATOM 714 O ARG A 99 22.985 32.240 4.755 1.00 0.00 ATOM 715 C ARG A 99 22.163 31.345 4.995 1.00 0.00 ATOM 716 N SER A 100 21.850 30.973 6.235 1.00 0.00 ATOM 717 CA SER A 100 22.443 31.683 7.362 1.00 0.00 ATOM 718 CB SER A 100 21.365 32.088 8.369 1.00 0.00 ATOM 719 OG SER A 100 21.938 32.703 9.510 1.00 0.00 ATOM 720 O SER A 100 24.509 31.639 8.536 1.00 0.00 ATOM 721 C SER A 100 23.497 31.011 8.241 1.00 0.00 ATOM 722 N ARG A 101 23.274 29.763 8.660 1.00 0.00 ATOM 723 CA ARG A 101 24.229 29.057 9.526 1.00 0.00 ATOM 724 CB ARG A 101 23.712 27.658 9.867 1.00 0.00 ATOM 725 CG ARG A 101 22.544 27.649 10.839 1.00 0.00 ATOM 726 CD ARG A 101 22.266 26.246 11.355 1.00 0.00 ATOM 727 NE ARG A 101 21.845 25.343 10.284 1.00 0.00 ATOM 728 CZ ARG A 101 20.588 25.203 9.878 1.00 0.00 ATOM 729 NH1 ARG A 101 20.299 24.358 8.897 1.00 0.00 ATOM 730 NH2 ARG A 101 19.623 25.908 10.451 1.00 0.00 ATOM 731 O ARG A 101 26.635 29.194 9.593 1.00 0.00 ATOM 732 C ARG A 101 25.640 28.839 8.955 1.00 0.00 ATOM 733 N SER A 102 25.732 28.244 7.771 1.00 0.00 ATOM 734 CA SER A 102 27.035 27.999 7.161 1.00 0.00 ATOM 735 CB SER A 102 26.878 27.185 5.875 1.00 0.00 ATOM 736 OG SER A 102 26.176 27.919 4.886 1.00 0.00 ATOM 737 O SER A 102 28.928 29.479 6.917 1.00 0.00 ATOM 738 C SER A 102 27.704 29.329 6.822 1.00 0.00 ATOM 739 N ALA A 103 26.884 30.293 6.431 1.00 0.00 ATOM 740 CA ALA A 103 27.359 31.618 6.061 1.00 0.00 ATOM 741 CB ALA A 103 26.200 32.488 5.601 1.00 0.00 ATOM 742 O ALA A 103 29.075 32.935 7.107 1.00 0.00 ATOM 743 C ALA A 103 28.030 32.298 7.251 1.00 0.00 ATOM 744 N ALA A 104 27.429 32.143 8.425 1.00 0.00 ATOM 745 CA ALA A 104 27.965 32.753 9.638 1.00 0.00 ATOM 746 CB ALA A 104 27.033 32.469 10.807 1.00 0.00 ATOM 747 O ALA A 104 30.272 32.964 10.328 1.00 0.00 ATOM 748 C ALA A 104 29.354 32.206 9.992 1.00 0.00 ATOM 749 N VAL A 105 29.498 30.884 9.934 1.00 0.00 ATOM 750 CA VAL A 105 30.769 30.247 10.241 1.00 0.00 ATOM 751 CB VAL A 105 30.661 28.713 10.176 1.00 0.00 ATOM 752 CG1 VAL A 105 32.037 28.075 10.301 1.00 0.00 ATOM 753 CG2 VAL A 105 29.785 28.192 11.304 1.00 0.00 ATOM 754 O VAL A 105 32.993 30.965 9.699 1.00 0.00 ATOM 755 C VAL A 105 31.873 30.679 9.282 1.00 0.00 ATOM 756 N CYS A 106 31.581 30.686 7.983 1.00 0.00 ATOM 757 CA CYS A 106 32.549 31.061 6.960 1.00 0.00 ATOM 758 CB CYS A 106 32.019 30.837 5.542 1.00 0.00 ATOM 759 SG CYS A 106 31.851 29.099 5.074 1.00 0.00 ATOM 760 O CYS A 106 34.115 32.897 6.882 1.00 0.00 ATOM 761 C CYS A 106 32.942 32.541 7.072 1.00 0.00 ATOM 762 N THR A 107 31.975 33.400 7.388 1.00 0.00 ATOM 763 CA THR A 107 32.242 34.830 7.521 1.00 0.00 ATOM 764 CB THR A 107 30.956 35.618 7.832 1.00 0.00 ATOM 765 CG2 THR A 107 31.265 37.098 8.000 1.00 0.00 ATOM 766 OG1 THR A 107 30.023 35.458 6.756 1.00 0.00 ATOM 767 O THR A 107 34.205 35.801 8.521 1.00 0.00 ATOM 768 C THR A 107 33.235 35.048 8.656 1.00 0.00 ATOM 769 N ALA A 108 32.996 34.363 9.767 1.00 0.00 ATOM 770 CA ALA A 108 33.869 34.464 10.921 1.00 0.00 ATOM 771 CB ALA A 108 33.350 33.600 12.116 1.00 0.00 ATOM 772 O ALA A 108 36.260 34.712 10.889 1.00 0.00 ATOM 773 C ALA A 108 35.289 34.058 10.518 1.00 0.00 ATOM 774 N TYR A 109 35.403 32.998 9.726 1.00 0.00 ATOM 775 CA TYR A 109 36.706 32.530 9.277 1.00 0.00 ATOM 776 CB TYR A 109 36.557 31.269 8.422 1.00 0.00 ATOM 777 CG TYR A 109 37.866 30.735 7.887 1.00 0.00 ATOM 778 CD1 TYR A 109 38.709 29.978 8.693 1.00 0.00 ATOM 779 CD2 TYR A 109 38.257 30.986 6.578 1.00 0.00 ATOM 780 CE1 TYR A 109 39.907 29.485 8.214 1.00 0.00 ATOM 781 CE2 TYR A 109 39.452 30.502 6.082 1.00 0.00 ATOM 782 CZ TYR A 109 40.277 29.746 6.912 1.00 0.00 ATOM 783 OH TYR A 109 41.471 29.256 6.433 1.00 0.00 ATOM 784 O TYR A 109 38.584 33.932 8.693 1.00 0.00 ATOM 785 C TYR A 109 37.427 33.580 8.433 1.00 0.00 ATOM 786 N LEU A 110 36.726 34.095 7.430 1.00 0.00 ATOM 787 CA LEU A 110 37.308 35.095 6.549 1.00 0.00 ATOM 788 CB LEU A 110 36.319 35.349 5.363 1.00 0.00 ATOM 789 CG LEU A 110 36.165 34.287 4.273 1.00 0.00 ATOM 790 CD1 LEU A 110 34.981 34.640 3.381 1.00 0.00 ATOM 791 CD2 LEU A 110 37.443 34.194 3.452 1.00 0.00 ATOM 792 O LEU A 110 38.665 37.016 7.014 1.00 0.00 ATOM 793 C LEU A 110 37.661 36.372 7.311 1.00 0.00 ATOM 794 N MET A 111 36.839 36.719 8.285 1.00 0.00 ATOM 795 CA MET A 111 37.114 37.917 9.078 1.00 0.00 ATOM 796 CB MET A 111 36.051 38.113 10.160 1.00 0.00 ATOM 797 CG MET A 111 34.698 38.559 9.627 1.00 0.00 ATOM 798 SD MET A 111 33.557 39.034 10.939 1.00 0.00 ATOM 799 CE MET A 111 33.124 37.431 11.610 1.00 0.00 ATOM 800 O MET A 111 39.283 38.722 9.736 1.00 0.00 ATOM 801 C MET A 111 38.470 37.797 9.765 1.00 0.00 ATOM 802 N ARG A 112 38.733 36.641 10.357 1.00 0.00 ATOM 803 CA ARG A 112 39.991 36.411 11.061 1.00 0.00 ATOM 804 CB ARG A 112 39.980 35.088 11.829 1.00 0.00 ATOM 805 CG ARG A 112 41.247 34.821 12.625 1.00 0.00 ATOM 806 CD ARG A 112 41.120 33.556 13.457 1.00 0.00 ATOM 807 NE ARG A 112 42.330 33.286 14.228 1.00 0.00 ATOM 808 CZ ARG A 112 42.506 32.209 14.989 1.00 0.00 ATOM 809 NH1 ARG A 112 43.642 32.046 15.656 1.00 0.00 ATOM 810 NH2 ARG A 112 41.548 31.299 15.083 1.00 0.00 ATOM 811 O ARG A 112 42.246 36.929 10.483 1.00 0.00 ATOM 812 C ARG A 112 41.222 36.361 10.124 1.00 0.00 ATOM 813 N HIS A 113 41.088 35.701 8.978 1.00 0.00 ATOM 814 CA HIS A 113 42.241 35.643 8.067 1.00 0.00 ATOM 815 CB HIS A 113 42.110 34.215 7.327 1.00 0.00 ATOM 816 CG HIS A 113 43.308 33.856 6.504 1.00 0.00 ATOM 817 CD2 HIS A 113 43.592 34.078 5.200 1.00 0.00 ATOM 818 ND1 HIS A 113 44.424 33.254 7.043 1.00 0.00 ATOM 819 CE1 HIS A 113 45.346 33.123 6.106 1.00 0.00 ATOM 820 NE2 HIS A 113 44.867 33.617 4.979 1.00 0.00 ATOM 821 O HIS A 113 43.651 37.224 7.017 1.00 0.00 ATOM 822 C HIS A 113 42.494 36.971 7.347 1.00 0.00 ATOM 823 N ARG A 114 41.446 37.763 7.090 1.00 0.00 ATOM 824 CA ARG A 114 41.639 39.046 6.430 1.00 0.00 ATOM 825 CB ARG A 114 40.349 39.427 5.701 1.00 0.00 ATOM 826 CG ARG A 114 40.027 38.429 4.584 1.00 0.00 ATOM 827 CD ARG A 114 41.125 38.266 3.539 1.00 0.00 ATOM 828 NE ARG A 114 41.406 39.375 2.732 1.00 0.00 ATOM 829 CZ ARG A 114 40.846 39.643 1.551 1.00 0.00 ATOM 830 NH1 ARG A 114 39.913 38.866 1.009 1.00 0.00 ATOM 831 NH2 ARG A 114 41.271 40.728 0.930 1.00 0.00 ATOM 832 O ARG A 114 42.219 41.323 6.967 1.00 0.00 ATOM 833 C ARG A 114 41.708 40.269 7.350 1.00 0.00 ATOM 834 N GLY A 115 41.178 40.127 8.560 1.00 0.00 ATOM 835 CA GLY A 115 41.182 41.237 9.499 1.00 0.00 ATOM 836 O GLY A 115 40.040 43.315 9.806 1.00 0.00 ATOM 837 C GLY A 115 40.096 42.249 9.188 1.00 0.00 ATOM 838 N HIS A 116 39.223 41.904 8.240 1.00 0.00 ATOM 839 CA HIS A 116 38.134 42.782 7.820 1.00 0.00 ATOM 840 CB HIS A 116 37.822 42.577 6.336 1.00 0.00 ATOM 841 CG HIS A 116 38.903 43.055 5.419 1.00 0.00 ATOM 842 CD2 HIS A 116 39.982 42.430 4.669 1.00 0.00 ATOM 843 ND1 HIS A 116 39.068 44.385 5.093 1.00 0.00 ATOM 844 CE1 HIS A 116 40.115 44.504 4.256 1.00 0.00 ATOM 845 NE2 HIS A 116 40.668 43.335 3.998 1.00 0.00 ATOM 846 O HIS A 116 36.618 41.442 9.103 1.00 0.00 ATOM 847 C HIS A 116 36.835 42.534 8.588 1.00 0.00 ATOM 848 N SER A 117 35.981 43.557 8.657 1.00 0.00 ATOM 849 CA SER A 117 34.711 43.458 9.372 1.00 0.00 ATOM 850 CB SER A 117 34.049 44.833 9.478 1.00 0.00 ATOM 851 OG SER A 117 33.631 45.298 8.206 1.00 0.00 ATOM 852 O SER A 117 33.856 42.106 7.582 1.00 0.00 ATOM 853 C SER A 117 33.716 42.489 8.733 1.00 0.00 ATOM 854 N LEU A 118 32.704 42.092 9.492 1.00 0.00 ATOM 855 CA LEU A 118 31.677 41.197 8.983 1.00 0.00 ATOM 856 CB LEU A 118 30.683 40.818 10.089 1.00 0.00 ATOM 857 CG LEU A 118 29.550 39.884 9.652 1.00 0.00 ATOM 858 CD1 LEU A 118 30.135 38.558 9.170 1.00 0.00 ATOM 859 CD2 LEU A 118 28.595 39.657 10.820 1.00 0.00 ATOM 860 O LEU A 118 30.466 41.038 6.924 1.00 0.00 ATOM 861 C LEU A 118 30.852 41.770 7.840 1.00 0.00 ATOM 862 N ASP A 119 30.576 43.046 7.880 1.00 0.00 ATOM 863 CA ASP A 119 29.803 43.639 6.768 1.00 0.00 ATOM 864 CB ASP A 119 29.493 45.110 7.051 1.00 0.00 ATOM 865 CG ASP A 119 28.492 45.288 8.176 1.00 0.00 ATOM 866 OD1 ASP A 119 27.857 44.288 8.569 1.00 0.00 ATOM 867 OD2 ASP A 119 28.343 46.428 8.665 1.00 0.00 ATOM 868 O ASP A 119 29.929 43.144 4.431 1.00 0.00 ATOM 869 C ASP A 119 30.518 43.571 5.423 1.00 0.00 ATOM 870 N ARG A 120 31.782 43.977 5.388 1.00 0.00 ATOM 871 CA ARG A 120 32.537 43.918 4.147 1.00 0.00 ATOM 872 CB ARG A 120 33.930 44.521 4.337 1.00 0.00 ATOM 873 CG ARG A 120 33.935 46.032 4.502 1.00 0.00 ATOM 874 CD ARG A 120 35.339 46.554 4.760 1.00 0.00 ATOM 875 NE ARG A 120 35.357 48.004 4.949 1.00 0.00 ATOM 876 CZ ARG A 120 36.444 48.703 5.260 1.00 0.00 ATOM 877 NH1 ARG A 120 36.366 50.018 5.412 1.00 0.00 ATOM 878 NH2 ARG A 120 37.606 48.086 5.419 1.00 0.00 ATOM 879 O ARG A 120 32.553 42.130 2.548 1.00 0.00 ATOM 880 C ARG A 120 32.675 42.458 3.728 1.00 0.00 ATOM 881 N ALA A 121 32.926 41.581 4.698 1.00 0.00 ATOM 882 CA ALA A 121 33.091 40.161 4.397 1.00 0.00 ATOM 883 CB ALA A 121 33.470 39.392 5.653 1.00 0.00 ATOM 884 O ALA A 121 31.806 38.872 2.816 1.00 0.00 ATOM 885 C ALA A 121 31.796 39.561 3.843 1.00 0.00 ATOM 886 N PHE A 122 30.683 39.837 4.516 1.00 0.00 ATOM 887 CA PHE A 122 29.382 39.325 4.095 1.00 0.00 ATOM 888 CB PHE A 122 28.285 39.798 5.050 1.00 0.00 ATOM 889 CG PHE A 122 26.906 39.345 4.661 1.00 0.00 ATOM 890 CD1 PHE A 122 26.479 38.059 4.941 1.00 0.00 ATOM 891 CD2 PHE A 122 26.036 40.208 4.017 1.00 0.00 ATOM 892 CE1 PHE A 122 25.211 37.644 4.583 1.00 0.00 ATOM 893 CE2 PHE A 122 24.767 39.791 3.659 1.00 0.00 ATOM 894 CZ PHE A 122 24.353 38.515 3.940 1.00 0.00 ATOM 895 O PHE A 122 28.554 39.129 1.845 1.00 0.00 ATOM 896 C PHE A 122 29.032 39.858 2.709 1.00 0.00 ATOM 897 N GLN A 123 29.303 41.130 2.461 1.00 0.00 ATOM 898 CA GLN A 123 29.057 41.730 1.151 1.00 0.00 ATOM 899 CB GLN A 123 29.357 43.229 1.191 1.00 0.00 ATOM 900 CG GLN A 123 28.368 44.039 2.013 1.00 0.00 ATOM 901 CD GLN A 123 28.761 45.499 2.123 1.00 0.00 ATOM 902 OE1 GLN A 123 29.826 45.903 1.659 1.00 0.00 ATOM 903 NE2 GLN A 123 27.897 46.298 2.740 1.00 0.00 ATOM 904 O GLN A 123 29.506 40.914 -1.064 1.00 0.00 ATOM 905 C GLN A 123 29.932 41.088 0.082 1.00 0.00 ATOM 906 N MET A 124 31.156 40.735 0.460 1.00 0.00 ATOM 907 CA MET A 124 32.071 40.109 -0.483 1.00 0.00 ATOM 908 CB MET A 124 33.484 40.046 0.102 1.00 0.00 ATOM 909 CG MET A 124 34.160 41.399 0.237 1.00 0.00 ATOM 910 SD MET A 124 34.359 42.238 -1.347 1.00 0.00 ATOM 911 CE MET A 124 35.577 41.187 -2.136 1.00 0.00 ATOM 912 O MET A 124 31.648 38.222 -1.923 1.00 0.00 ATOM 913 C MET A 124 31.577 38.694 -0.784 1.00 0.00 ATOM 914 N VAL A 125 31.064 38.021 0.242 1.00 0.00 ATOM 915 CA VAL A 125 30.553 36.674 0.060 1.00 0.00 ATOM 916 CB VAL A 125 30.179 36.027 1.406 1.00 0.00 ATOM 917 CG1 VAL A 125 29.480 34.695 1.182 1.00 0.00 ATOM 918 CG2 VAL A 125 31.424 35.782 2.244 1.00 0.00 ATOM 919 O VAL A 125 29.139 35.837 -1.697 1.00 0.00 ATOM 920 C VAL A 125 29.301 36.695 -0.823 1.00 0.00 ATOM 921 N LYS A 126 28.437 37.688 -0.608 1.00 0.00 ATOM 922 CA LYS A 126 27.206 37.818 -1.392 1.00 0.00 ATOM 923 CB LYS A 126 26.439 39.074 -0.977 1.00 0.00 ATOM 924 CG LYS A 126 25.120 39.266 -1.709 1.00 0.00 ATOM 925 CD LYS A 126 24.372 40.484 -1.190 1.00 0.00 ATOM 926 CE LYS A 126 23.045 40.664 -1.908 1.00 0.00 ATOM 927 NZ LYS A 126 22.299 41.851 -1.407 1.00 0.00 ATOM 928 O LYS A 126 26.711 37.450 -3.717 1.00 0.00 ATOM 929 C LYS A 126 27.494 37.921 -2.891 1.00 0.00 ATOM 930 N SER A 127 28.618 38.538 -3.239 1.00 0.00 ATOM 931 CA SER A 127 28.992 38.695 -4.639 1.00 0.00 ATOM 932 CB SER A 127 30.347 39.397 -4.756 1.00 0.00 ATOM 933 OG SER A 127 30.278 40.723 -4.263 1.00 0.00 ATOM 934 O SER A 127 28.819 37.212 -6.518 1.00 0.00 ATOM 935 C SER A 127 29.108 37.334 -5.326 1.00 0.00 ATOM 936 N ALA A 128 29.491 36.318 -4.576 1.00 0.00 ATOM 937 CA ALA A 128 29.632 34.966 -5.125 1.00 0.00 ATOM 938 CB ALA A 128 30.988 34.393 -4.746 1.00 0.00 ATOM 939 O ALA A 128 28.022 33.276 -5.641 1.00 0.00 ATOM 940 C ALA A 128 28.368 34.164 -4.860 1.00 0.00 ATOM 941 N ARG A 129 27.647 34.469 -3.697 1.00 0.00 ATOM 942 CA ARG A 129 26.425 33.755 -3.327 1.00 0.00 ATOM 943 CB ARG A 129 26.971 32.820 -2.246 1.00 0.00 ATOM 944 CG ARG A 129 25.934 31.876 -1.661 1.00 0.00 ATOM 945 CD ARG A 129 26.556 30.937 -0.639 1.00 0.00 ATOM 946 NE ARG A 129 25.567 30.041 -0.045 1.00 0.00 ATOM 947 CZ ARG A 129 25.187 28.887 -0.584 1.00 0.00 ATOM 948 NH1 ARG A 129 24.280 28.138 0.029 1.00 0.00 ATOM 949 NH2 ARG A 129 25.713 28.486 -1.731 1.00 0.00 ATOM 950 O ARG A 129 25.329 34.894 -1.507 1.00 0.00 ATOM 951 C ARG A 129 25.402 34.720 -2.724 1.00 0.00 ATOM 952 N PRO A 130 24.579 35.326 -3.561 1.00 0.00 ATOM 953 CA PRO A 130 23.538 36.302 -3.215 1.00 0.00 ATOM 954 CB PRO A 130 22.854 36.568 -4.555 1.00 0.00 ATOM 955 CG PRO A 130 23.926 36.315 -5.544 1.00 0.00 ATOM 956 CD PRO A 130 24.577 35.076 -5.015 1.00 0.00 ATOM 957 O PRO A 130 22.175 36.650 -1.310 1.00 0.00 ATOM 958 C PRO A 130 22.590 35.814 -2.109 1.00 0.00 ATOM 959 N VAL A 131 22.299 34.562 -2.069 1.00 0.00 ATOM 960 CA VAL A 131 21.399 34.062 -1.009 1.00 0.00 ATOM 961 CB VAL A 131 21.063 32.581 -1.263 1.00 0.00 ATOM 962 CG1 VAL A 131 20.557 32.385 -2.684 1.00 0.00 ATOM 963 CG2 VAL A 131 22.298 31.715 -1.069 1.00 0.00 ATOM 964 O VAL A 131 21.197 34.175 1.378 1.00 0.00 ATOM 965 C VAL A 131 21.950 34.199 0.408 1.00 0.00 ATOM 966 N ALA A 132 23.267 34.356 0.511 1.00 0.00 ATOM 967 CA ALA A 132 23.950 34.479 1.801 1.00 0.00 ATOM 968 CB ALA A 132 25.368 34.994 1.603 1.00 0.00 ATOM 969 O ALA A 132 23.213 36.652 2.456 1.00 0.00 ATOM 970 C ALA A 132 23.297 35.461 2.754 1.00 0.00 ATOM 971 N GLU A 133 22.672 35.003 4.356 1.00 0.00 ATOM 972 CA GLU A 133 22.087 35.900 5.354 1.00 0.00 ATOM 973 CB GLU A 133 20.778 36.508 4.757 1.00 0.00 ATOM 974 CG GLU A 133 20.050 37.567 5.575 1.00 0.00 ATOM 975 CD GLU A 133 20.901 38.754 6.006 1.00 0.00 ATOM 976 OE1 GLU A 133 21.363 39.527 5.174 1.00 0.00 ATOM 977 OE2 GLU A 133 21.095 38.922 7.204 1.00 0.00 ATOM 978 O GLU A 133 20.970 34.673 7.105 1.00 0.00 ATOM 979 C GLU A 133 21.942 35.351 6.771 1.00 0.00 ATOM 980 N PRO A 134 22.933 35.619 7.626 1.00 0.00 ATOM 981 CA PRO A 134 22.831 35.124 9.001 1.00 0.00 ATOM 982 CB PRO A 134 24.218 35.389 9.592 1.00 0.00 ATOM 983 CG PRO A 134 24.738 36.551 8.815 1.00 0.00 ATOM 984 CD PRO A 134 24.212 36.388 7.416 1.00 0.00 ATOM 985 O PRO A 134 21.507 37.067 9.488 1.00 0.00 ATOM 986 C PRO A 134 21.734 35.883 9.746 1.00 0.00 ATOM 987 N ASN A 135 21.040 35.202 10.655 1.00 0.00 ATOM 988 CA ASN A 135 19.961 35.851 11.396 1.00 0.00 ATOM 989 CB ASN A 135 19.274 34.850 12.327 1.00 0.00 ATOM 990 CG ASN A 135 18.428 33.840 11.575 1.00 0.00 ATOM 991 ND2 ASN A 135 18.049 32.765 12.255 1.00 0.00 ATOM 992 OD1 ASN A 135 18.122 34.028 10.397 1.00 0.00 ATOM 993 O ASN A 135 21.672 37.115 12.501 1.00 0.00 ATOM 994 C ASN A 135 20.460 36.968 12.319 1.00 0.00 ATOM 995 N LEU A 136 19.515 37.902 12.796 1.00 0.00 ATOM 996 CA LEU A 136 19.975 39.140 13.411 1.00 0.00 ATOM 997 CB LEU A 136 18.724 39.832 13.955 1.00 0.00 ATOM 998 CG LEU A 136 18.952 41.121 14.746 1.00 0.00 ATOM 999 CD1 LEU A 136 19.582 42.189 13.866 1.00 0.00 ATOM 1000 CD2 LEU A 136 17.635 41.665 15.281 1.00 0.00 ATOM 1001 O LEU A 136 21.802 39.567 14.911 1.00 0.00 ATOM 1002 C LEU A 136 20.850 38.837 14.631 1.00 0.00 ATOM 1003 N GLY A 137 20.527 37.763 15.348 1.00 0.00 ATOM 1004 CA GLY A 137 21.300 37.411 16.528 1.00 0.00 ATOM 1005 O GLY A 137 23.649 37.243 16.968 1.00 0.00 ATOM 1006 C GLY A 137 22.711 36.953 16.220 1.00 0.00 ATOM 1007 N PHE A 138 22.869 36.219 15.125 1.00 0.00 ATOM 1008 CA PHE A 138 24.193 35.735 14.744 1.00 0.00 ATOM 1009 CB PHE A 138 24.085 34.709 13.616 1.00 0.00 ATOM 1010 CG PHE A 138 23.591 33.364 14.064 1.00 0.00 ATOM 1011 CD1 PHE A 138 22.282 32.978 13.832 1.00 0.00 ATOM 1012 CD2 PHE A 138 24.434 32.482 14.719 1.00 0.00 ATOM 1013 CE1 PHE A 138 21.827 31.739 14.246 1.00 0.00 ATOM 1014 CE2 PHE A 138 23.981 31.245 15.132 1.00 0.00 ATOM 1015 CZ PHE A 138 22.683 30.872 14.898 1.00 0.00 ATOM 1016 O PHE A 138 26.305 36.863 14.473 1.00 0.00 ATOM 1017 C PHE A 138 25.083 36.894 14.297 1.00 0.00 ATOM 1018 N TRP A 139 24.448 37.905 13.721 1.00 0.00 ATOM 1019 CA TRP A 139 25.175 39.087 13.281 1.00 0.00 ATOM 1020 CB TRP A 139 24.247 40.042 12.529 1.00 0.00 ATOM 1021 CG TRP A 139 24.941 41.258 11.996 1.00 0.00 ATOM 1022 CD1 TRP A 139 25.614 41.365 10.812 1.00 0.00 ATOM 1023 CD2 TRP A 139 25.033 42.541 12.627 1.00 0.00 ATOM 1024 CE2 TRP A 139 25.776 43.377 11.769 1.00 0.00 ATOM 1025 CE3 TRP A 139 24.562 43.066 13.835 1.00 0.00 ATOM 1026 NE1 TRP A 139 26.119 42.633 10.666 1.00 0.00 ATOM 1027 CZ2 TRP A 139 26.056 44.706 12.079 1.00 0.00 ATOM 1028 CZ3 TRP A 139 24.842 44.385 14.137 1.00 0.00 ATOM 1029 CH2 TRP A 139 25.582 45.192 13.267 1.00 0.00 ATOM 1030 O TRP A 139 27.020 40.054 14.487 1.00 0.00 ATOM 1031 C TRP A 139 25.831 39.733 14.507 1.00 0.00 ATOM 1032 N ALA A 140 25.062 39.905 15.568 1.00 0.00 ATOM 1033 CA ALA A 140 25.577 40.497 16.805 1.00 0.00 ATOM 1034 CB ALA A 140 24.475 40.567 17.851 1.00 0.00 ATOM 1035 O ALA A 140 27.762 40.230 17.808 1.00 0.00 ATOM 1036 C ALA A 140 26.756 39.700 17.357 1.00 0.00 ATOM 1037 N GLN A 141 26.583 38.355 17.322 1.00 0.00 ATOM 1038 CA GLN A 141 27.635 37.478 17.788 1.00 0.00 ATOM 1039 CB GLN A 141 27.156 36.025 17.729 1.00 0.00 ATOM 1040 CG GLN A 141 26.089 35.682 18.755 1.00 0.00 ATOM 1041 CD GLN A 141 25.584 34.259 18.616 1.00 0.00 ATOM 1042 OE1 GLN A 141 26.002 33.526 17.719 1.00 0.00 ATOM 1043 NE2 GLN A 141 24.680 33.863 19.505 1.00 0.00 ATOM 1044 O GLN A 141 30.001 37.672 17.402 1.00 0.00 ATOM 1045 C GLN A 141 28.874 37.671 16.916 1.00 0.00 ATOM 1046 N LEU A 142 28.649 37.876 15.599 1.00 0.00 ATOM 1047 CA LEU A 142 29.735 38.144 14.689 1.00 0.00 ATOM 1048 CB LEU A 142 29.226 38.208 13.248 1.00 0.00 ATOM 1049 CG LEU A 142 28.697 36.899 12.658 1.00 0.00 ATOM 1050 CD1 LEU A 142 28.061 37.141 11.297 1.00 0.00 ATOM 1051 CD2 LEU A 142 29.825 35.894 12.484 1.00 0.00 ATOM 1052 O LEU A 142 31.617 39.614 15.028 1.00 0.00 ATOM 1053 C LEU A 142 30.395 39.471 15.080 1.00 0.00 ATOM 1054 N GLN A 143 29.572 40.430 15.487 1.00 0.00 ATOM 1055 CA GLN A 143 30.059 41.737 15.916 1.00 0.00 ATOM 1056 CB GLN A 143 28.897 42.616 16.383 1.00 0.00 ATOM 1057 CG GLN A 143 29.308 44.017 16.806 1.00 0.00 ATOM 1058 CD GLN A 143 28.129 44.863 17.243 1.00 0.00 ATOM 1059 OE1 GLN A 143 26.998 44.380 17.315 1.00 0.00 ATOM 1060 NE2 GLN A 143 28.390 46.131 17.538 1.00 0.00 ATOM 1061 O GLN A 143 32.161 42.051 17.043 1.00 0.00 ATOM 1062 C GLN A 143 31.043 41.537 17.070 1.00 0.00 ATOM 1063 N LYS A 144 30.608 40.786 18.082 1.00 0.00 ATOM 1064 CA LYS A 144 31.437 40.498 19.249 1.00 0.00 ATOM 1065 CB LYS A 144 30.725 39.518 20.184 1.00 0.00 ATOM 1066 CG LYS A 144 31.518 39.163 21.431 1.00 0.00 ATOM 1067 CD LYS A 144 30.739 38.217 22.330 1.00 0.00 ATOM 1068 CE LYS A 144 31.539 37.849 23.569 1.00 0.00 ATOM 1069 NZ LYS A 144 30.801 36.898 24.444 1.00 0.00 ATOM 1070 O LYS A 144 33.800 40.097 19.414 1.00 0.00 ATOM 1071 C LYS A 144 32.726 39.757 18.907 1.00 0.00 ATOM 1072 N TYR A 145 32.616 38.775 18.041 1.00 0.00 ATOM 1073 CA TYR A 145 33.785 38.002 17.626 1.00 0.00 ATOM 1074 CB TYR A 145 33.366 36.770 16.784 1.00 0.00 ATOM 1075 CG TYR A 145 34.538 36.082 16.172 1.00 0.00 ATOM 1076 CD1 TYR A 145 35.374 35.295 16.904 1.00 0.00 ATOM 1077 CD2 TYR A 145 34.823 36.190 14.804 1.00 0.00 ATOM 1078 CE1 TYR A 145 36.463 34.681 16.360 1.00 0.00 ATOM 1079 CE2 TYR A 145 35.895 35.590 14.271 1.00 0.00 ATOM 1080 CZ TYR A 145 36.728 34.837 15.012 1.00 0.00 ATOM 1081 OH TYR A 145 37.795 34.229 14.455 1.00 0.00 ATOM 1082 O TYR A 145 36.009 38.753 17.127 1.00 0.00 ATOM 1083 C TYR A 145 34.801 38.897 16.926 1.00 0.00 ATOM 1084 N GLU A 146 34.308 39.818 16.105 1.00 0.00 ATOM 1085 CA GLU A 146 35.200 40.711 15.394 1.00 0.00 ATOM 1086 CB GLU A 146 34.405 41.643 14.468 1.00 0.00 ATOM 1087 CG GLU A 146 35.264 42.244 13.362 1.00 0.00 ATOM 1088 CD GLU A 146 34.586 43.397 12.644 1.00 0.00 ATOM 1089 OE1 GLU A 146 33.349 43.350 12.475 1.00 0.00 ATOM 1090 OE2 GLU A 146 35.296 44.345 12.241 1.00 0.00 ATOM 1091 O GLU A 146 37.216 41.753 16.260 1.00 0.00 ATOM 1092 C GLU A 146 35.996 41.547 16.377 1.00 0.00 ATOM 1093 N GLN A 147 35.311 42.109 17.392 1.00 0.00 ATOM 1094 CA GLN A 147 36.057 42.914 18.366 1.00 0.00 ATOM 1095 CB GLN A 147 35.067 43.519 19.340 1.00 0.00 ATOM 1096 CG GLN A 147 34.148 44.560 18.726 1.00 0.00 ATOM 1097 CD GLN A 147 34.903 45.808 18.318 1.00 0.00 ATOM 1098 OE1 GLN A 147 35.436 46.523 19.164 1.00 0.00 ATOM 1099 NE2 GLN A 147 34.961 46.070 17.016 1.00 0.00 ATOM 1100 O GLN A 147 38.194 42.621 19.418 1.00 0.00 ATOM 1101 C GLN A 147 37.104 42.121 19.123 1.00 0.00 ATOM 1102 N THR A 148 36.779 40.882 19.440 1.00 0.00 ATOM 1103 CA THR A 148 37.740 40.010 20.137 1.00 0.00 ATOM 1104 CB THR A 148 37.125 38.645 20.481 1.00 0.00 ATOM 1105 CG2 THR A 148 38.157 37.756 21.133 1.00 0.00 ATOM 1106 OG1 THR A 148 36.037 38.856 21.381 1.00 0.00 ATOM 1107 O THR A 148 40.152 39.896 19.856 1.00 0.00 ATOM 1108 C THR A 148 39.035 39.830 19.321 1.00 0.00 ATOM 1109 N LEU A 149 38.889 39.566 18.019 1.00 0.00 ATOM 1110 CA LEU A 149 40.057 39.369 17.176 1.00 0.00 ATOM 1111 CB LEU A 149 39.485 39.702 15.648 1.00 0.00 ATOM 1112 CG LEU A 149 40.254 39.271 14.396 1.00 0.00 ATOM 1113 CD1 LEU A 149 40.007 37.794 14.150 1.00 0.00 ATOM 1114 CD2 LEU A 149 39.812 40.098 13.188 1.00 0.00 ATOM 1115 O LEU A 149 42.183 40.529 17.306 1.00 0.00 ATOM 1116 C LEU A 149 40.941 40.612 17.191 1.00 0.00 ATOM 1117 N GLN A 150 40.314 41.770 17.074 1.00 0.00 ATOM 1118 CA GLN A 150 41.079 43.008 17.089 1.00 0.00 ATOM 1119 CB GLN A 150 40.232 44.208 16.771 1.00 0.00 ATOM 1120 CG GLN A 150 40.981 45.531 16.809 1.00 0.00 ATOM 1121 CD GLN A 150 40.089 46.706 16.466 1.00 0.00 ATOM 1122 OE1 GLN A 150 39.105 46.968 17.152 1.00 0.00 ATOM 1123 NE2 GLN A 150 40.426 47.416 15.397 1.00 0.00 ATOM 1124 O GLN A 150 42.959 43.496 18.511 1.00 0.00 ATOM 1125 C GLN A 150 41.755 43.248 18.453 1.00 0.00 ATOM 1126 N ALA A 151 41.005 43.103 19.516 1.00 0.00 ATOM 1127 CA ALA A 151 41.528 43.278 20.871 1.00 0.00 ATOM 1128 CB ALA A 151 40.415 43.153 21.921 1.00 0.00 ATOM 1129 O ALA A 151 43.549 42.681 22.016 1.00 0.00 ATOM 1130 C ALA A 151 42.655 42.317 21.251 1.00 0.00 ATOM 1131 N GLN A 152 42.575 41.113 20.735 1.00 0.00 ATOM 1132 CA GLN A 152 43.602 40.118 21.036 1.00 0.00 ATOM 1133 CB GLN A 152 42.884 38.784 21.436 1.00 0.00 ATOM 1134 CG GLN A 152 41.857 39.058 22.517 1.00 0.00 ATOM 1135 CD GLN A 152 41.776 38.208 23.736 1.00 0.00 ATOM 1136 OE1 GLN A 152 42.443 38.425 24.751 1.00 0.00 ATOM 1137 NE2 GLN A 152 40.902 37.210 23.702 1.00 0.00 ATOM 1138 O GLN A 152 45.417 39.011 19.965 1.00 0.00 ATOM 1139 C GLN A 152 44.604 39.926 19.927 1.00 0.00 ATOM 1140 N ALA A 153 44.530 40.801 18.931 1.00 0.00 ATOM 1141 CA ALA A 153 45.463 40.756 17.819 1.00 0.00 ATOM 1142 CB ALA A 153 46.881 41.127 18.362 1.00 0.00 ATOM 1143 O ALA A 153 46.620 38.999 16.719 1.00 0.00 ATOM 1144 C ALA A 153 45.540 39.448 17.079 1.00 0.00 ATOM 1145 N ILE A 154 44.391 38.847 16.820 1.00 0.00 ATOM 1146 CA ILE A 154 44.375 37.562 16.115 1.00 0.00 ATOM 1147 CB ILE A 154 42.950 36.988 16.059 1.00 0.00 ATOM 1148 CG1 ILE A 154 42.512 36.604 17.475 1.00 0.00 ATOM 1149 CG2 ILE A 154 42.898 35.787 15.116 1.00 0.00 ATOM 1150 CD1 ILE A 154 41.037 36.250 17.606 1.00 0.00 ATOM 1151 O ILE A 154 45.720 36.922 14.208 1.00 0.00 ATOM 1152 C ILE A 154 44.884 37.685 14.668 1.00 0.00 ATOM 1153 N LEU A 155 44.350 38.653 13.935 1.00 0.00 ATOM 1154 CA LEU A 155 44.745 38.855 12.549 1.00 0.00 ATOM 1155 CB LEU A 155 43.933 40.022 11.938 1.00 0.00 ATOM 1156 CG LEU A 155 44.246 40.377 10.471 1.00 0.00 ATOM 1157 CD1 LEU A 155 43.939 39.233 9.542 1.00 0.00 ATOM 1158 CD2 LEU A 155 43.464 41.588 10.033 1.00 0.00 ATOM 1159 O LEU A 155 46.890 38.409 11.587 1.00 0.00 ATOM 1160 C LEU A 155 46.249 39.082 12.390 1.00 0.00 ATOM 1161 N PRO A 156 46.832 40.064 13.217 1.00 0.00 ATOM 1162 CA PRO A 156 48.270 40.354 13.094 1.00 0.00 ATOM 1163 CB PRO A 156 48.517 41.504 14.076 1.00 0.00 ATOM 1164 CG PRO A 156 47.179 42.174 14.155 1.00 0.00 ATOM 1165 CD PRO A 156 46.179 41.029 14.103 1.00 0.00 ATOM 1166 O PRO A 156 50.153 38.916 12.728 1.00 0.00 ATOM 1167 C PRO A 156 49.127 39.134 13.390 1.00 0.00 ATOM 1168 N ARG A 157 48.698 38.321 14.367 1.00 0.00 ATOM 1169 CA ARG A 157 49.492 37.116 14.683 1.00 0.00 ATOM 1170 CB ARG A 157 48.873 36.371 15.882 1.00 0.00 ATOM 1171 CG ARG A 157 48.949 37.138 17.192 1.00 0.00 ATOM 1172 CD ARG A 157 48.195 36.430 18.300 1.00 0.00 ATOM 1173 NE ARG A 157 48.530 37.011 19.601 1.00 0.00 ATOM 1174 CZ ARG A 157 47.929 36.698 20.753 1.00 0.00 ATOM 1175 NH1 ARG A 157 46.952 35.797 20.772 1.00 0.00 ATOM 1176 NH2 ARG A 157 48.316 37.283 21.885 1.00 0.00 ATOM 1177 O ARG A 157 50.582 35.581 13.181 1.00 0.00 ATOM 1178 C ARG A 157 49.548 36.191 13.452 1.00 0.00 ATOM 1179 N GLU A 158 48.443 36.148 12.687 1.00 0.00 ATOM 1180 CA GLU A 158 48.401 35.316 11.497 1.00 0.00 ATOM 1181 CB GLU A 158 47.004 35.317 10.884 1.00 0.00 ATOM 1182 CG GLU A 158 46.661 34.030 10.141 1.00 0.00 ATOM 1183 CD GLU A 158 46.479 32.822 11.074 1.00 0.00 ATOM 1184 OE1 GLU A 158 47.482 32.124 11.364 1.00 0.00 ATOM 1185 OE2 GLU A 158 45.327 32.568 11.507 1.00 0.00 ATOM 1186 O GLU A 158 50.233 35.045 9.978 1.00 0.00 ATOM 1187 C GLU A 158 49.387 35.809 10.442 1.00 0.00 ATOM 1188 N PRO A 159 49.328 37.147 9.950 1.00 0.00 ATOM 1189 CA PRO A 159 50.265 37.644 8.937 1.00 0.00 ATOM 1190 CB PRO A 159 49.796 39.080 8.700 1.00 0.00 ATOM 1191 CG PRO A 159 49.106 39.448 9.985 1.00 0.00 ATOM 1192 CD PRO A 159 48.358 38.189 10.329 1.00 0.00 ATOM 1193 O PRO A 159 52.633 37.332 8.656 1.00 0.00 ATOM 1194 C PRO A 159 51.703 37.519 9.442 1.00 0.00 ATOM 1195 N ILE A 160 51.901 37.591 10.797 1.00 0.00 ATOM 1196 CA ILE A 160 53.232 37.466 11.374 1.00 0.00 ATOM 1197 CB ILE A 160 53.266 37.759 12.872 1.00 0.00 ATOM 1198 CG1 ILE A 160 52.992 39.243 13.136 1.00 0.00 ATOM 1199 CG2 ILE A 160 54.611 37.334 13.459 1.00 0.00 ATOM 1200 CD1 ILE A 160 54.012 40.179 12.515 1.00 0.00 ATOM 1201 O ILE A 160 54.920 35.907 10.715 1.00 0.00 ATOM 1202 C ILE A 160 53.780 36.062 11.153 1.00 0.00 ATOM 1203 N ASP A 161 53.046 35.037 11.428 1.00 0.00 ATOM 1204 CA ASP A 161 53.385 33.626 11.317 1.00 0.00 ATOM 1205 CB ASP A 161 53.312 32.886 12.630 1.00 0.00 ATOM 1206 CG ASP A 161 53.971 31.523 12.589 1.00 0.00 ATOM 1207 OD1 ASP A 161 54.117 30.974 11.467 1.00 0.00 ATOM 1208 OD2 ASP A 161 54.388 30.988 13.655 1.00 0.00 ATOM 1209 O ASP A 161 51.214 32.726 10.817 1.00 0.00 ATOM 1210 C ASP A 161 52.314 33.071 10.385 1.00 0.00 ATOM 1211 N PRO A 162 52.645 32.990 9.104 1.00 0.00 ATOM 1212 CA PRO A 162 51.744 32.492 8.060 1.00 0.00 ATOM 1213 CB PRO A 162 52.630 32.280 6.865 1.00 0.00 ATOM 1214 CG PRO A 162 53.650 33.357 7.028 1.00 0.00 ATOM 1215 CD PRO A 162 53.983 33.257 8.495 1.00 0.00 ATOM 1216 O PRO A 162 49.872 30.967 8.133 1.00 0.00 ATOM 1217 C PRO A 162 51.092 31.140 8.323 1.00 0.00 ATOM 1218 N GLU A 163 51.925 30.192 8.760 1.00 0.00 ATOM 1219 CA GLU A 163 51.468 28.907 9.258 1.00 0.00 ATOM 1220 CB GLU A 163 52.609 27.918 9.467 1.00 0.00 ATOM 1221 CG GLU A 163 52.984 27.139 8.226 1.00 0.00 ATOM 1222 CD GLU A 163 54.008 26.061 8.512 1.00 0.00 ATOM 1223 OE1 GLU A 163 54.173 25.703 9.709 1.00 0.00 ATOM 1224 OE2 GLU A 163 54.646 25.577 7.546 1.00 0.00 ATOM 1225 O GLU A 163 51.076 30.133 11.254 1.00 0.00 ATOM 1226 C GLU A 163 50.757 29.123 10.581 1.00 0.00 ENDMDL EXPDTA 2hcmA MODEL 2 REMARK 44 REMARK 44 model 2 is called 2hcmA ATOM 1 N GLY 2 30.533 17.613 -20.991 1.00 0.00 ATOM 2 CA GLY 2 29.510 17.785 -22.005 1.00 0.00 ATOM 3 O GLY 2 30.730 19.188 -23.474 1.00 0.00 ATOM 4 C GLY 2 29.692 19.047 -22.825 1.00 0.00 ATOM 5 N THR 3 28.728 19.980 -22.838 1.00 0.00 ATOM 6 CA THR 3 27.421 20.025 -22.102 1.00 0.00 ATOM 7 CB THR 3 26.397 18.864 -22.411 1.00 0.00 ATOM 8 CG2 THR 3 26.479 18.414 -23.868 1.00 0.00 ATOM 9 OG1 THR 3 26.591 17.759 -21.514 1.00 0.00 ATOM 10 O THR 3 28.122 19.823 -19.780 1.00 0.00 ATOM 11 C THR 3 27.414 20.404 -20.607 1.00 0.00 ATOM 12 N SER 4 26.570 21.394 -20.305 1.00 0.00 ATOM 13 CA SER 4 26.384 21.967 -18.970 1.00 0.00 ATOM 14 CB SER 4 25.471 23.197 -19.065 1.00 0.00 ATOM 15 OG SER 4 24.124 22.808 -19.303 1.00 0.00 ATOM 16 O SER 4 25.228 19.936 -18.404 1.00 0.00 ATOM 17 C SER 4 25.745 20.981 -18.000 1.00 0.00 ATOM 18 N GLU 5 25.672 21.390 -16.735 1.00 0.00 ATOM 19 CA GLU 5 25.026 20.604 -15.688 1.00 0.00 ATOM 20 CB GLU 5 25.877 20.603 -14.417 1.00 0.00 ATOM 21 CG GLU 5 26.315 19.220 -13.964 1.00 0.00 ATOM 22 CD GLU 5 25.823 18.122 -14.886 1.00 0.00 ATOM 23 OE1 GLU 5 24.598 18.040 -15.115 1.00 0.00 ATOM 24 OE2 GLU 5 26.661 17.340 -15.383 1.00 0.00 ATOM 25 O GLU 5 23.619 22.425 -14.990 1.00 0.00 ATOM 26 C GLU 5 23.673 21.272 -15.415 1.00 0.00 ATOM 27 N ALA 6 22.587 20.550 -15.679 1.00 0.00 ATOM 28 CA ALA 6 21.240 21.075 -15.501 1.00 0.00 ATOM 29 CB ALA 6 20.207 19.999 -15.800 1.00 0.00 ATOM 30 O ALA 6 20.518 22.819 -14.029 1.00 0.00 ATOM 31 C ALA 6 20.988 21.686 -14.137 1.00 0.00 ATOM 32 N ALA 7 21.293 20.926 -13.096 1.00 0.00 ATOM 33 CA ALA 7 21.076 21.397 -11.736 1.00 0.00 ATOM 34 CB ALA 7 20.751 20.241 -10.781 1.00 0.00 ATOM 35 O ALA 7 23.442 21.682 -11.806 1.00 0.00 ATOM 36 C ALA 7 22.368 22.073 -11.334 1.00 0.00 ATOM 37 N PRO 8 22.281 23.103 -10.481 1.00 0.00 ATOM 38 CA PRO 8 23.532 23.780 -10.161 1.00 0.00 ATOM 39 CB PRO 8 23.059 25.082 -9.514 1.00 0.00 ATOM 40 CG PRO 8 21.734 24.722 -8.873 1.00 0.00 ATOM 41 CD PRO 8 21.120 23.683 -9.771 1.00 0.00 ATOM 42 O PRO 8 23.773 21.994 -8.598 1.00 0.00 ATOM 43 C PRO 8 24.335 22.916 -9.185 1.00 0.00 ATOM 44 N PRO 9 25.644 23.189 -9.021 1.00 0.00 ATOM 45 CA PRO 9 26.320 22.462 -7.951 1.00 0.00 ATOM 46 CB PRO 9 27.781 22.905 -8.102 1.00 0.00 ATOM 47 CG PRO 9 27.692 24.263 -8.736 1.00 0.00 ATOM 48 CD PRO 9 26.549 24.121 -9.714 1.00 0.00 ATOM 49 O PRO 9 25.291 24.081 -6.492 1.00 0.00 ATOM 50 C PRO 9 25.747 22.930 -6.605 1.00 0.00 ATOM 51 N PRO 10 25.743 22.048 -5.592 1.00 0.00 ATOM 52 CA PRO 10 25.195 22.453 -4.304 1.00 0.00 ATOM 53 CB PRO 10 24.853 21.114 -3.632 1.00 0.00 ATOM 54 CG PRO 10 25.829 20.143 -4.233 1.00 0.00 ATOM 55 CD PRO 10 26.195 20.646 -5.599 1.00 0.00 ATOM 56 O PRO 10 25.967 23.366 -2.231 1.00 0.00 ATOM 57 C PRO 10 26.152 23.286 -3.444 1.00 0.00 ATOM 58 N PHE 11 27.139 23.923 -4.076 1.00 0.00 ATOM 59 CA PHE 11 28.041 24.841 -3.384 1.00 0.00 ATOM 60 CB PHE 11 29.096 24.087 -2.556 1.00 0.00 ATOM 61 CG PHE 11 29.876 23.056 -3.335 1.00 0.00 ATOM 62 CD1 PHE 11 30.971 23.423 -4.104 1.00 0.00 ATOM 63 CD2 PHE 11 29.522 21.717 -3.278 1.00 0.00 ATOM 64 CE1 PHE 11 31.685 22.474 -4.821 1.00 0.00 ATOM 65 CE2 PHE 11 30.225 20.765 -3.985 1.00 0.00 ATOM 66 CZ PHE 11 31.314 21.139 -4.753 1.00 0.00 ATOM 67 O PHE 11 28.669 25.594 -5.577 1.00 0.00 ATOM 68 C PHE 11 28.725 25.791 -4.366 1.00 0.00 ATOM 69 N ALA 12 29.385 26.806 -3.821 1.00 0.00 ATOM 70 CA ALA 12 30.053 27.818 -4.616 1.00 0.00 ATOM 71 CB ALA 12 29.113 28.986 -4.878 1.00 0.00 ATOM 72 O ALA 12 31.346 28.322 -2.643 1.00 0.00 ATOM 73 C ALA 12 31.292 28.307 -3.877 1.00 0.00 ATOM 74 N ARG 13 32.275 28.736 -4.648 1.00 0.00 ATOM 75 CA ARG 13 33.549 29.163 -4.098 1.00 0.00 ATOM 76 CB ARG 13 34.620 29.089 -5.180 1.00 0.00 ATOM 77 CG ARG 13 36.033 29.436 -4.742 1.00 0.00 ATOM 78 CD ARG 13 36.905 29.338 -5.991 1.00 0.00 ATOM 79 NE ARG 13 38.300 29.717 -5.818 1.00 0.00 ATOM 80 CZ ARG 13 38.741 30.972 -5.750 1.00 0.00 ATOM 81 NH1 ARG 13 37.888 31.994 -5.800 1.00 0.00 ATOM 82 NH2 ARG 13 40.043 31.203 -5.613 1.00 0.00 ATOM 83 O ARG 13 32.955 31.466 -4.270 1.00 0.00 ATOM 84 C ARG 13 33.422 30.568 -3.566 1.00 0.00 ATOM 85 N VAL 14 33.820 30.736 -2.306 1.00 0.00 ATOM 86 CA VAL 14 33.823 32.025 -1.634 1.00 0.00 ATOM 87 CB VAL 14 33.471 31.847 -0.134 1.00 0.00 ATOM 88 CG1 VAL 14 33.575 33.153 0.640 1.00 0.00 ATOM 89 CG2 VAL 14 32.046 31.236 0.010 1.00 0.00 ATOM 90 O VAL 14 35.267 33.932 -1.975 1.00 0.00 ATOM 91 C VAL 14 35.186 32.705 -1.774 1.00 0.00 ATOM 92 N ALA 15 36.238 31.897 -1.658 1.00 0.00 ATOM 93 CA ALA 15 37.621 32.367 -1.646 1.00 0.00 ATOM 94 CB ALA 15 37.934 33.005 -0.293 1.00 0.00 ATOM 95 O ALA 15 37.966 30.035 -1.907 1.00 0.00 ATOM 96 C ALA 15 38.495 31.138 -1.895 1.00 0.00 ATOM 97 N PRO 16 39.822 31.306 -2.131 1.00 0.00 ATOM 98 CA PRO 16 40.664 30.107 -2.265 1.00 0.00 ATOM 99 CB PRO 16 42.090 30.672 -2.164 1.00 0.00 ATOM 100 CG PRO 16 41.970 32.028 -2.792 1.00 0.00 ATOM 101 CD PRO 16 40.610 32.541 -2.323 1.00 0.00 ATOM 102 O PRO 16 40.320 29.491 0.041 1.00 0.00 ATOM 103 C PRO 16 40.407 29.099 -1.134 1.00 0.00 ATOM 104 N ALA 17 40.242 27.834 -1.520 1.00 0.00 ATOM 105 CA ALA 17 40.051 26.698 -0.611 1.00 0.00 ATOM 106 CB ALA 17 41.340 26.426 0.202 1.00 0.00 ATOM 107 O ALA 17 38.706 26.055 1.293 1.00 0.00 ATOM 108 C ALA 17 38.815 26.784 0.304 1.00 0.00 ATOM 109 N LEU 18 37.871 27.658 -0.038 1.00 0.00 ATOM 110 CA LEU 18 36.694 27.857 0.803 1.00 0.00 ATOM 111 CB LEU 18 36.841 29.146 1.636 1.00 0.00 ATOM 112 CG LEU 18 35.621 29.499 2.504 1.00 0.00 ATOM 113 CD1 LEU 18 35.423 28.465 3.615 1.00 0.00 ATOM 114 CD2 LEU 18 35.704 30.905 3.102 1.00 0.00 ATOM 115 O LEU 18 35.242 28.721 -0.912 1.00 0.00 ATOM 116 C LEU 18 35.399 27.892 -0.016 1.00 0.00 ATOM 117 N PHE 19 34.476 26.991 0.310 1.00 0.00 ATOM 118 CA PHE 19 33.185 26.901 -0.376 1.00 0.00 ATOM 119 CB PHE 19 33.032 25.561 -1.131 1.00 0.00 ATOM 120 CG PHE 19 34.048 25.348 -2.217 1.00 0.00 ATOM 121 CD1 PHE 19 33.734 25.625 -3.538 1.00 0.00 ATOM 122 CD2 PHE 19 35.311 24.844 -1.921 1.00 0.00 ATOM 123 CE1 PHE 19 34.665 25.433 -4.555 1.00 0.00 ATOM 124 CE2 PHE 19 36.260 24.646 -2.931 1.00 0.00 ATOM 125 CZ PHE 19 35.940 24.939 -4.249 1.00 0.00 ATOM 126 O PHE 19 32.199 26.591 1.787 1.00 0.00 ATOM 127 C PHE 19 32.052 26.996 0.628 1.00 0.00 ATOM 128 N ILE 20 30.920 27.529 0.167 1.00 0.00 ATOM 129 CA ILE 20 29.686 27.562 0.949 1.00 0.00 ATOM 130 CB ILE 20 29.207 29.017 1.248 1.00 0.00 ATOM 131 CG1 ILE 20 27.994 29.004 2.195 1.00 0.00 ATOM 132 CG2 ILE 20 28.888 29.792 -0.058 1.00 0.00 ATOM 133 CD1 ILE 20 27.523 30.399 2.637 1.00 0.00 ATOM 134 O ILE 20 28.572 26.896 -1.064 1.00 0.00 ATOM 135 C ILE 20 28.617 26.815 0.167 1.00 0.00 ATOM 136 N GLY 21 27.752 26.099 0.876 1.00 0.00 ATOM 137 CA GLY 21 26.681 25.387 0.226 1.00 0.00 ATOM 138 O GLY 21 25.446 25.412 2.290 1.00 0.00 ATOM 139 C GLY 21 25.585 24.926 1.159 1.00 0.00 ATOM 140 N ASN 22 24.817 23.964 0.674 1.00 0.00 ATOM 141 CA ASN 22 23.700 23.419 1.419 1.00 0.00 ATOM 142 CB ASN 22 22.394 23.761 0.702 1.00 0.00 ATOM 143 CG ASN 22 22.302 23.092 -0.650 1.00 0.00 ATOM 144 ND2 ASN 22 22.620 23.835 -1.710 1.00 0.00 ATOM 145 OD1 ASN 22 21.950 21.926 -0.743 1.00 0.00 ATOM 146 O ASN 22 24.668 21.274 0.904 1.00 0.00 ATOM 147 C ASN 22 23.829 21.901 1.559 1.00 0.00 ATOM 148 N ALA 23 22.950 21.319 2.368 1.00 0.00 ATOM 149 CA ALA 23 23.019 19.895 2.720 1.00 0.00 ATOM 150 CB ALA 23 22.000 19.578 3.811 1.00 0.00 ATOM 151 O ALA 23 23.276 17.737 1.697 1.00 0.00 ATOM 152 C ALA 23 22.889 18.901 1.560 1.00 0.00 ATOM 153 N ARG 24 22.364 19.336 0.413 1.00 0.00 ATOM 154 CA ARG 24 22.336 18.447 -0.762 1.00 0.00 ATOM 155 CB ARG 24 21.473 19.019 -1.901 1.00 0.00 ATOM 156 CG ARG 24 20.047 19.355 -1.482 1.00 0.00 ATOM 157 CD ARG 24 19.295 18.152 -0.918 1.00 0.00 ATOM 158 NE ARG 24 19.073 17.109 -1.928 1.00 0.00 ATOM 159 CZ ARG 24 18.591 15.899 -1.652 1.00 0.00 ATOM 160 NH1 ARG 24 18.308 15.573 -0.394 1.00 0.00 ATOM 161 NH2 ARG 24 18.404 15.008 -2.625 1.00 0.00 ATOM 162 O ARG 24 23.919 17.127 -1.997 1.00 0.00 ATOM 163 C ARG 24 23.744 18.102 -1.270 1.00 0.00 ATOM 164 N ALA 25 24.733 18.897 -0.857 1.00 0.00 ATOM 165 CA ALA 25 26.150 18.607 -1.113 1.00 0.00 ATOM 166 CB ALA 25 27.035 19.766 -0.628 1.00 0.00 ATOM 167 O ALA 25 27.562 16.699 -0.999 1.00 0.00 ATOM 168 C ALA 25 26.633 17.309 -0.491 1.00 0.00 ATOM 169 N ALA 26 26.019 16.905 0.618 1.00 0.00 ATOM 170 CA ALA 26 26.441 15.710 1.346 1.00 0.00 ATOM 171 CB ALA 26 25.507 15.430 2.512 1.00 0.00 ATOM 172 O ALA 26 27.502 13.707 0.578 1.00 0.00 ATOM 173 C ALA 26 26.552 14.478 0.454 1.00 0.00 ATOM 174 N GLY 27 25.588 14.309 -0.446 1.00 0.00 ATOM 175 CA GLY 27 25.544 13.145 -1.323 1.00 0.00 ATOM 176 O GLY 27 26.367 12.365 -3.418 1.00 0.00 ATOM 177 C GLY 27 26.262 13.314 -2.648 1.00 0.00 ATOM 178 N ALA 28 26.759 14.521 -2.913 1.00 0.00 ATOM 179 CA ALA 28 27.445 14.827 -4.164 1.00 0.00 ATOM 180 CB ALA 28 27.323 16.300 -4.488 1.00 0.00 ATOM 181 O ALA 28 29.815 15.222 -4.322 1.00 0.00 ATOM 182 C ALA 28 28.914 14.399 -4.128 1.00 0.00 ATOM 183 N THR 29 29.127 13.104 -3.896 1.00 0.00 ATOM 184 CA THR 29 30.456 12.503 -3.740 1.00 0.00 ATOM 185 CB THR 29 30.354 10.966 -3.718 1.00 0.00 ATOM 186 CG2 THR 29 31.731 10.305 -3.566 1.00 0.00 ATOM 187 OG1 THR 29 29.521 10.575 -2.621 1.00 0.00 ATOM 188 O THR 29 32.527 13.455 -4.461 1.00 0.00 ATOM 189 C THR 29 31.454 12.957 -4.800 1.00 0.00 ATOM 190 N GLU 30 31.087 12.821 -6.074 1.00 0.00 ATOM 191 CA GLU 30 32.004 13.147 -7.172 1.00 0.00 ATOM 192 CB GLU 30 31.457 12.666 -8.520 1.00 0.00 ATOM 193 CG GLU 30 32.568 12.339 -9.523 1.00 0.00 ATOM 194 CD GLU 30 32.277 12.828 -10.936 1.00 0.00 ATOM 195 OE1 GLU 30 32.165 14.062 -11.131 1.00 0.00 ATOM 196 OE2 GLU 30 32.186 11.980 -11.854 1.00 0.00 ATOM 197 O GLU 30 33.523 14.968 -7.552 1.00 0.00 ATOM 198 C GLU 30 32.376 14.630 -7.250 1.00 0.00 ATOM 199 N LEU 31 31.414 15.508 -6.977 1.00 0.00 ATOM 200 CA LEU 31 31.676 16.949 -6.947 1.00 0.00 ATOM 201 CB LEU 31 30.377 17.752 -6.871 1.00 0.00 ATOM 202 CG LEU 31 29.436 17.633 -8.070 1.00 0.00 ATOM 203 CD1 LEU 31 28.262 18.591 -7.917 1.00 0.00 ATOM 204 CD2 LEU 31 30.186 17.890 -9.367 1.00 0.00 ATOM 205 O LEU 31 33.433 18.225 -5.949 1.00 0.00 ATOM 206 C LEU 31 32.588 17.343 -5.795 1.00 0.00 ATOM 207 N LEU 32 32.410 16.694 -4.644 1.00 0.00 ATOM 208 CA LEU 32 33.272 16.928 -3.486 1.00 0.00 ATOM 209 CB LEU 32 32.761 16.167 -2.260 1.00 0.00 ATOM 210 CG LEU 32 31.397 16.553 -1.671 1.00 0.00 ATOM 211 CD1 LEU 32 31.061 15.636 -0.501 1.00 0.00 ATOM 212 CD2 LEU 32 31.384 18.010 -1.233 1.00 0.00 ATOM 213 O LEU 32 35.632 17.312 -3.546 1.00 0.00 ATOM 214 C LEU 32 34.716 16.537 -3.790 1.00 0.00 ATOM 215 N VAL 33 34.908 15.342 -4.343 1.00 0.00 ATOM 216 CA VAL 33 36.249 14.868 -4.713 1.00 0.00 ATOM 217 CB VAL 33 36.246 13.358 -5.113 1.00 0.00 ATOM 218 CG1 VAL 33 37.653 12.876 -5.474 1.00 0.00 ATOM 219 CG2 VAL 33 35.703 12.513 -3.965 1.00 0.00 ATOM 220 O VAL 33 38.055 16.144 -5.680 1.00 0.00 ATOM 221 C VAL 33 36.884 15.751 -5.794 1.00 0.00 ATOM 222 N ARG 34 36.100 16.102 -6.808 1.00 0.00 ATOM 223 CA ARG 34 36.576 16.952 -7.905 1.00 0.00 ATOM 224 CB ARG 34 35.495 17.095 -8.976 1.00 0.00 ATOM 225 CG ARG 34 36.027 17.286 -10.385 1.00 0.00 ATOM 226 CD ARG 34 34.918 17.101 -11.406 1.00 0.00 ATOM 227 NE ARG 34 34.087 18.297 -11.545 1.00 0.00 ATOM 228 CZ ARG 34 32.847 18.297 -12.028 1.00 0.00 ATOM 229 NH1 ARG 34 32.171 19.437 -12.123 1.00 0.00 ATOM 230 NH2 ARG 34 32.274 17.160 -12.408 1.00 0.00 ATOM 231 O ARG 34 38.010 18.880 -7.966 1.00 0.00 ATOM 232 C ARG 34 37.031 18.338 -7.445 1.00 0.00 ATOM 233 N ALA 35 36.324 18.906 -6.467 1.00 0.00 ATOM 234 CA ALA 35 36.694 20.196 -5.904 1.00 0.00 ATOM 235 CB ALA 35 35.484 20.854 -5.245 1.00 0.00 ATOM 236 O ALA 35 38.348 21.114 -4.433 1.00 0.00 ATOM 237 C ALA 35 37.855 20.096 -4.914 1.00 0.00 ATOM 238 N GLY 36 38.290 18.875 -4.609 1.00 0.00 ATOM 239 CA GLY 36 39.351 18.659 -3.624 1.00 0.00 ATOM 240 O GLY 36 39.828 19.412 -1.397 1.00 0.00 ATOM 241 C GLY 36 38.967 19.052 -2.201 1.00 0.00 ATOM 242 N ILE 37 37.672 18.985 -1.898 1.00 0.00 ATOM 243 CA ILE 37 37.166 19.199 -0.544 1.00 0.00 ATOM 244 CB ILE 37 35.610 19.386 -0.555 1.00 0.00 ATOM 245 CG1 ILE 37 35.261 20.705 -1.262 1.00 0.00 ATOM 246 CG2 ILE 37 35.027 19.332 0.881 1.00 0.00 ATOM 247 CD1 ILE 37 33.855 20.773 -1.812 1.00 0.00 ATOM 248 O ILE 37 37.358 16.874 0.001 1.00 0.00 ATOM 249 C ILE 37 37.580 18.031 0.347 1.00 0.00 ATOM 250 N THR 38 38.219 18.344 1.471 1.00 0.00 ATOM 251 CA THR 38 38.667 17.336 2.433 1.00 0.00 ATOM 252 CB THR 38 40.190 17.428 2.682 1.00 0.00 ATOM 253 CG2 THR 38 40.970 17.244 1.365 1.00 0.00 ATOM 254 OG1 THR 38 40.513 18.698 3.276 1.00 0.00 ATOM 255 O THR 38 38.050 16.631 4.646 1.00 0.00 ATOM 256 C THR 38 37.955 17.490 3.777 1.00 0.00 ATOM 257 N LEU 39 37.275 18.611 3.961 1.00 0.00 ATOM 258 CA LEU 39 36.527 18.834 5.197 1.00 0.00 ATOM 259 CB LEU 39 37.329 19.679 6.199 1.00 0.00 ATOM 260 CG LEU 39 36.606 20.088 7.489 1.00 0.00 ATOM 261 CD1 LEU 39 36.218 18.866 8.370 1.00 0.00 ATOM 262 CD2 LEU 39 37.424 21.104 8.262 1.00 0.00 ATOM 263 O LEU 39 35.168 20.572 4.284 1.00 0.00 ATOM 264 C LEU 39 35.195 19.495 4.889 1.00 0.00 ATOM 265 N CYS 40 34.106 18.830 5.290 1.00 0.00 ATOM 266 CA CYS 40 32.787 19.436 5.289 1.00 0.00 ATOM 267 CB CYS 40 31.722 18.448 4.781 1.00 0.00 ATOM 268 SG CYS 40 31.854 18.096 3.022 1.00 0.00 ATOM 269 O CYS 40 32.493 19.043 7.634 1.00 0.00 ATOM 270 C CYS 40 32.455 19.850 6.713 1.00 0.00 ATOM 271 N VAL 41 32.171 21.132 6.889 1.00 0.00 ATOM 272 CA VAL 41 31.677 21.636 8.145 1.00 0.00 ATOM 273 CB VAL 41 32.286 23.009 8.476 1.00 0.00 ATOM 274 CG1 VAL 41 31.670 23.574 9.757 1.00 0.00 ATOM 275 CG2 VAL 41 33.837 22.884 8.613 1.00 0.00 ATOM 276 O VAL 41 29.604 22.539 7.314 1.00 0.00 ATOM 277 C VAL 41 30.158 21.687 8.017 1.00 0.00 ATOM 278 N ASN 42 29.505 20.740 8.689 1.00 0.00 ATOM 279 CA ASN 42 28.056 20.584 8.653 1.00 0.00 ATOM 280 CB ASN 42 27.744 19.090 8.724 1.00 0.00 ATOM 281 CG ASN 42 26.250 18.774 8.690 1.00 0.00 ATOM 282 ND2 ASN 42 25.948 17.487 8.655 1.00 0.00 ATOM 283 OD1 ASN 42 25.384 19.659 8.719 1.00 0.00 ATOM 284 O ASN 42 27.495 20.849 10.977 1.00 0.00 ATOM 285 C ASN 42 27.464 21.335 9.838 1.00 0.00 ATOM 286 N VAL 43 26.946 22.533 9.580 1.00 0.00 ATOM 287 CA VAL 43 26.419 23.375 10.643 1.00 0.00 ATOM 288 CB VAL 43 26.656 24.895 10.391 1.00 0.00 ATOM 289 CG1 VAL 43 26.353 25.689 11.639 1.00 0.00 ATOM 290 CG2 VAL 43 28.110 25.182 9.945 1.00 0.00 ATOM 291 O VAL 43 24.068 23.805 10.269 1.00 0.00 ATOM 292 C VAL 43 24.926 23.069 10.768 1.00 0.00 ATOM 293 N SER 44 24.630 21.952 11.417 1.00 0.00 ATOM 294 CA SER 44 23.254 21.540 11.648 1.00 0.00 ATOM 295 CB SER 44 22.654 20.955 10.375 1.00 0.00 ATOM 296 OG SER 44 23.080 19.619 10.181 1.00 0.00 ATOM 297 O SER 44 24.262 19.943 13.118 1.00 0.00 ATOM 298 C SER 44 23.221 20.479 12.719 1.00 0.00 ATOM 299 N ARG 45 22.022 20.138 13.162 1.00 0.00 ATOM 300 CA ARG 45 21.882 19.077 14.143 1.00 0.00 ATOM 301 CB ARG 45 20.863 19.464 15.218 1.00 0.00 ATOM 302 CG ARG 45 21.330 20.659 16.049 1.00 0.00 ATOM 303 CD ARG 45 20.355 21.037 17.149 1.00 0.00 ATOM 304 NE ARG 45 20.222 19.993 18.162 1.00 0.00 ATOM 305 CZ ARG 45 21.083 19.782 19.153 1.00 0.00 ATOM 306 NH1 ARG 45 22.170 20.537 19.287 1.00 0.00 ATOM 307 NH2 ARG 45 20.856 18.802 20.012 1.00 0.00 ATOM 308 O ARG 45 22.039 16.711 13.893 1.00 0.00 ATOM 309 C ARG 45 21.549 17.750 13.473 1.00 0.00 ATOM 310 N GLN 46 20.754 17.795 12.404 1.00 0.00 ATOM 311 CA GLN 46 20.258 16.575 11.766 1.00 0.00 ATOM 312 CB GLN 46 18.730 16.458 11.948 1.00 0.00 ATOM 313 CG GLN 46 18.179 16.857 13.314 1.00 0.00 ATOM 314 CD GLN 46 18.429 15.824 14.395 1.00 0.00 ATOM 315 OE1 GLN 46 18.726 14.659 14.109 1.00 0.00 ATOM 316 NE2 GLN 46 18.302 16.246 15.652 1.00 0.00 ATOM 317 O GLN 46 20.142 15.401 9.699 1.00 0.00 ATOM 318 C GLN 46 20.550 16.403 10.268 1.00 0.00 ATOM 319 N GLN 47 21.211 17.356 9.615 1.00 0.00 ATOM 320 CA GLN 47 21.458 17.203 8.168 1.00 0.00 ATOM 321 CB GLN 47 21.856 18.531 7.520 1.00 0.00 ATOM 322 CG GLN 47 20.767 19.606 7.633 1.00 0.00 ATOM 323 CD GLN 47 19.455 19.169 6.979 1.00 0.00 ATOM 324 OE1 GLN 47 19.432 18.795 5.817 1.00 0.00 ATOM 325 NE2 GLN 47 18.373 19.218 7.728 1.00 0.00 ATOM 326 O GLN 47 23.468 16.036 8.706 1.00 0.00 ATOM 327 C GLN 47 22.519 16.139 7.929 1.00 0.00 ATOM 328 N PRO 48 22.356 15.336 6.866 1.00 0.00 ATOM 329 CA PRO 48 23.322 14.270 6.614 1.00 0.00 ATOM 330 CB PRO 48 22.748 13.550 5.382 1.00 0.00 ATOM 331 CG PRO 48 21.857 14.562 4.725 1.00 0.00 ATOM 332 CD PRO 48 21.278 15.359 5.855 1.00 0.00 ATOM 333 O PRO 48 24.878 15.959 5.889 1.00 0.00 ATOM 334 C PRO 48 24.717 14.801 6.305 1.00 0.00 ATOM 335 N GLY 49 25.708 13.949 6.539 1.00 0.00 ATOM 336 CA GLY 49 27.077 14.255 6.219 1.00 0.00 ATOM 337 O GLY 49 26.753 12.610 4.518 1.00 0.00 ATOM 338 C GLY 49 27.486 13.494 4.984 1.00 0.00 ATOM 339 N PRO 50 28.673 13.809 4.461 1.00 0.00 ATOM 340 CA PRO 50 29.210 13.118 3.292 1.00 0.00 ATOM 341 CB PRO 50 30.434 13.963 2.933 1.00 0.00 ATOM 342 CG PRO 50 30.904 14.485 4.267 1.00 0.00 ATOM 343 CD PRO 50 29.610 14.828 4.978 1.00 0.00 ATOM 344 O PRO 50 29.852 11.306 4.759 1.00 0.00 ATOM 345 C PRO 50 29.619 11.667 3.597 1.00 0.00 ATOM 346 N ARG 51 29.674 10.842 2.557 1.00 0.00 ATOM 347 CA ARG 51 30.187 9.485 2.688 1.00 0.00 ATOM 348 CB ARG 51 29.041 8.463 2.614 1.00 0.00 ATOM 349 CG ARG 51 29.333 7.104 3.272 1.00 0.00 ATOM 350 CD ARG 51 28.718 6.951 4.670 1.00 0.00 ATOM 351 NE ARG 51 29.135 8.000 5.599 1.00 0.00 ATOM 352 CZ ARG 51 28.313 8.895 6.141 1.00 0.00 ATOM 353 NH1 ARG 51 27.014 8.874 5.863 1.00 0.00 ATOM 354 NH2 ARG 51 28.791 9.815 6.967 1.00 0.00 ATOM 355 O ARG 51 31.232 8.268 0.890 1.00 0.00 ATOM 356 C ARG 51 31.206 9.289 1.568 1.00 0.00 ATOM 357 N ALA 52 32.041 10.303 1.381 1.00 0.00 ATOM 358 CA ALA 52 32.997 10.334 0.299 1.00 0.00 ATOM 359 CB ALA 52 33.001 11.715 -0.345 1.00 0.00 ATOM 360 O ALA 52 34.741 10.403 1.939 1.00 0.00 ATOM 361 C ALA 52 34.382 9.987 0.831 1.00 0.00 ATOM 362 N PRO 53 35.171 9.230 0.041 1.00 0.00 ATOM 363 CA PRO 53 36.504 8.807 0.468 1.00 0.00 ATOM 364 CB PRO 53 36.973 7.892 -0.681 1.00 0.00 ATOM 365 CG PRO 53 35.722 7.532 -1.438 1.00 0.00 ATOM 366 CD PRO 53 34.848 8.737 -1.312 1.00 0.00 ATOM 367 O PRO 53 37.505 10.824 -0.320 1.00 0.00 ATOM 368 C PRO 53 37.444 9.995 0.589 1.00 0.00 ATOM 369 N GLY 54 38.158 10.079 1.708 1.00 0.00 ATOM 370 CA GLY 54 39.114 11.167 1.951 1.00 0.00 ATOM 371 O GLY 54 39.165 13.513 2.443 1.00 0.00 ATOM 372 C GLY 54 38.480 12.482 2.383 1.00 0.00 ATOM 373 N VAL 55 37.175 12.460 2.677 1.00 0.00 ATOM 374 CA VAL 55 36.455 13.669 3.106 1.00 0.00 ATOM 375 CB VAL 55 35.208 13.954 2.222 1.00 0.00 ATOM 376 CG1 VAL 55 34.509 15.256 2.663 1.00 0.00 ATOM 377 CG2 VAL 55 35.607 14.052 0.765 1.00 0.00 ATOM 378 O VAL 55 35.228 12.673 4.897 1.00 0.00 ATOM 379 C VAL 55 36.029 13.538 4.562 1.00 0.00 ATOM 380 N ALA 56 36.587 14.388 5.425 1.00 0.00 ATOM 381 CA ALA 56 36.236 14.404 6.843 1.00 0.00 ATOM 382 CB ALA 56 37.387 15.001 7.664 1.00 0.00 ATOM 383 O ALA 56 34.722 16.172 6.287 1.00 0.00 ATOM 384 C ALA 56 34.977 15.238 7.048 1.00 0.00 ATOM 385 N GLU 57 34.193 14.903 8.072 1.00 0.00 ATOM 386 CA GLU 57 33.076 15.755 8.463 1.00 0.00 ATOM 387 CB GLU 57 31.720 15.029 8.313 1.00 0.00 ATOM 388 CG GLU 57 30.511 15.866 8.827 1.00 0.00 ATOM 389 CD GLU 57 29.194 15.085 8.863 1.00 0.00 ATOM 390 OE1 GLU 57 29.220 13.877 8.568 1.00 0.00 ATOM 391 OE2 GLU 57 28.139 15.679 9.197 1.00 0.00 ATOM 392 O GLU 57 33.655 15.468 10.770 1.00 0.00 ATOM 393 C GLU 57 33.256 16.232 9.894 1.00 0.00 ATOM 394 N LEU 58 32.969 17.509 10.117 1.00 0.00 ATOM 395 CA LEU 58 32.832 18.027 11.463 1.00 0.00 ATOM 396 CB LEU 58 33.945 19.040 11.784 1.00 0.00 ATOM 397 CG LEU 58 35.322 18.455 12.082 1.00 0.00 ATOM 398 CD1 LEU 58 36.285 19.575 12.410 1.00 0.00 ATOM 399 CD2 LEU 58 35.265 17.468 13.234 1.00 0.00 ATOM 400 O LEU 58 31.175 19.586 10.796 1.00 0.00 ATOM 401 C LEU 58 31.482 18.684 11.566 1.00 0.00 ATOM 402 N ARG 59 30.668 18.222 12.510 1.00 0.00 ATOM 403 CA ARG 59 29.348 18.785 12.684 1.00 0.00 ATOM 404 CB ARG 59 28.314 17.666 12.882 1.00 0.00 ATOM 405 CG ARG 59 26.881 18.162 12.971 1.00 0.00 ATOM 406 CD ARG 59 25.931 17.049 13.414 1.00 0.00 ATOM 407 NE ARG 59 25.936 15.958 12.437 1.00 0.00 ATOM 408 CZ ARG 59 25.029 15.803 11.473 1.00 0.00 ATOM 409 NH1 ARG 59 24.018 16.660 11.350 1.00 0.00 ATOM 410 NH2 ARG 59 25.128 14.779 10.630 1.00 0.00 ATOM 411 O ARG 59 29.825 19.567 14.917 1.00 0.00 ATOM 412 C ARG 59 29.321 19.810 13.819 1.00 0.00 ATOM 413 N VAL 60 28.745 20.968 13.513 1.00 0.00 ATOM 414 CA VAL 60 28.559 22.062 14.442 1.00 0.00 ATOM 415 CB VAL 60 29.062 23.394 13.839 1.00 0.00 ATOM 416 CG1 VAL 60 28.984 24.523 14.875 1.00 0.00 ATOM 417 CG2 VAL 60 30.495 23.244 13.288 1.00 0.00 ATOM 418 O VAL 60 26.307 22.771 13.997 1.00 0.00 ATOM 419 C VAL 60 27.053 22.139 14.739 1.00 0.00 ATOM 420 N PRO 61 26.602 21.468 15.818 1.00 0.00 ATOM 421 CA PRO 61 25.179 21.191 16.028 1.00 0.00 ATOM 422 CB PRO 61 25.190 19.989 16.997 1.00 0.00 ATOM 423 CG PRO 61 26.672 19.647 17.242 1.00 0.00 ATOM 424 CD PRO 61 27.422 20.895 16.893 1.00 0.00 ATOM 425 O PRO 61 24.000 22.295 17.789 1.00 0.00 ATOM 426 C PRO 61 24.398 22.353 16.629 1.00 0.00 ATOM 427 N VAL 62 24.192 23.407 15.845 1.00 0.00 ATOM 428 CA VAL 62 23.448 24.578 16.310 1.00 0.00 ATOM 429 CB VAL 62 24.306 25.886 16.270 1.00 0.00 ATOM 430 CG1 VAL 62 25.461 25.802 17.249 1.00 0.00 ATOM 431 CG2 VAL 62 24.858 26.155 14.885 1.00 0.00 ATOM 432 O VAL 62 22.133 24.460 14.309 1.00 0.00 ATOM 433 C VAL 62 22.164 24.751 15.513 1.00 0.00 ATOM 434 N PHE 63 21.106 25.195 16.196 1.00 0.00 ATOM 435 CA PHE 63 19.847 25.581 15.548 1.00 0.00 ATOM 436 CB PHE 63 18.717 25.837 16.568 1.00 0.00 ATOM 437 CG PHE 63 18.358 24.673 17.445 1.00 0.00 ATOM 438 CD1 PHE 63 17.247 23.897 17.159 1.00 0.00 ATOM 439 CD2 PHE 63 19.072 24.410 18.610 1.00 0.00 ATOM 440 CE1 PHE 63 16.881 22.848 17.992 1.00 0.00 ATOM 441 CE2 PHE 63 18.722 23.357 19.443 1.00 0.00 ATOM 442 CZ PHE 63 17.621 22.573 19.131 1.00 0.00 ATOM 443 O PHE 63 20.878 27.730 15.366 1.00 0.00 ATOM 444 C PHE 63 20.078 26.927 14.881 1.00 0.00 ATOM 445 N ASP 64 19.337 27.207 13.811 1.00 0.00 ATOM 446 CA ASP 64 19.351 28.548 13.249 1.00 0.00 ATOM 447 CB ASP 64 19.015 28.530 11.759 1.00 0.00 ATOM 448 CG ASP 64 19.052 29.910 11.137 1.00 0.00 ATOM 449 OD1 ASP 64 19.823 30.772 11.617 1.00 0.00 ATOM 450 OD2 ASP 64 18.312 30.139 10.161 1.00 0.00 ATOM 451 O ASP 64 17.227 29.617 13.586 1.00 0.00 ATOM 452 C ASP 64 18.358 29.414 14.021 1.00 0.00 ATOM 453 N ASP 65 18.802 29.919 15.168 1.00 0.00 ATOM 454 CA ASP 65 17.981 30.750 16.029 1.00 0.00 ATOM 455 CB ASP 65 17.347 29.903 17.143 1.00 0.00 ATOM 456 CG ASP 65 16.231 30.635 17.869 1.00 0.00 ATOM 457 OD1 ASP 65 16.520 31.572 18.645 1.00 0.00 ATOM 458 OD2 ASP 65 15.057 30.274 17.654 1.00 0.00 ATOM 459 O ASP 65 19.976 31.539 17.056 1.00 0.00 ATOM 460 C ASP 65 18.867 31.829 16.617 1.00 0.00 ATOM 461 N PRO 66 18.397 33.085 16.606 1.00 0.00 ATOM 462 CA PRO 66 19.146 34.213 17.158 1.00 0.00 ATOM 463 CB PRO 66 18.152 35.380 17.060 1.00 0.00 ATOM 464 CG PRO 66 16.822 34.750 16.802 1.00 0.00 ATOM 465 CD PRO 66 17.118 33.524 16.022 1.00 0.00 ATOM 466 O PRO 66 20.606 34.640 19.002 1.00 0.00 ATOM 467 C PRO 66 19.611 34.033 18.606 1.00 0.00 ATOM 468 N ALA 67 18.904 33.203 19.375 1.00 0.00 ATOM 469 CA ALA 67 19.256 32.941 20.772 1.00 0.00 ATOM 470 CB ALA 67 18.015 32.582 21.580 1.00 0.00 ATOM 471 O ALA 67 20.864 31.655 22.008 1.00 0.00 ATOM 472 C ALA 67 20.319 31.851 20.919 1.00 0.00 ATOM 473 N GLU 68 20.597 31.135 19.833 1.00 0.00 ATOM 474 CA GLU 68 21.611 30.094 19.854 1.00 0.00 ATOM 475 CB GLU 68 21.503 29.178 18.632 1.00 0.00 ATOM 476 CG GLU 68 20.825 27.851 18.918 1.00 0.00 ATOM 477 CD GLU 68 21.790 26.808 19.479 1.00 0.00 ATOM 478 OE1 GLU 68 21.757 25.663 18.989 1.00 0.00 ATOM 479 OE2 GLU 68 22.593 27.128 20.390 1.00 0.00 ATOM 480 O GLU 68 23.314 31.759 19.479 1.00 0.00 ATOM 481 C GLU 68 23.020 30.668 19.975 1.00 0.00 ATOM 482 N ASP 69 23.875 29.911 20.646 1.00 0.00 ATOM 483 CA ASP 69 25.245 30.315 20.891 1.00 0.00 ATOM 484 CB ASP 69 25.699 29.852 22.269 1.00 0.00 ATOM 485 CG ASP 69 27.078 30.364 22.630 1.00 0.00 ATOM 486 OD1 ASP 69 27.639 31.216 21.904 1.00 0.00 ATOM 487 OD2 ASP 69 27.610 29.899 23.648 1.00 0.00 ATOM 488 O ASP 69 26.913 28.800 20.007 1.00 0.00 ATOM 489 C ASP 69 26.176 29.782 19.807 1.00 0.00 ATOM 490 N LEU 70 26.138 30.444 18.656 1.00 0.00 ATOM 491 CA LEU 70 27.115 30.191 17.613 1.00 0.00 ATOM 492 CB LEU 70 26.701 30.854 16.294 1.00 0.00 ATOM 493 CG LEU 70 27.652 30.668 15.100 1.00 0.00 ATOM 494 CD1 LEU 70 27.728 29.203 14.640 1.00 0.00 ATOM 495 CD2 LEU 70 27.241 31.551 13.945 1.00 0.00 ATOM 496 O LEU 70 29.487 29.990 17.716 1.00 0.00 ATOM 497 C LEU 70 28.505 30.658 18.027 1.00 0.00 ATOM 498 N LEU 71 28.580 31.781 18.747 1.00 0.00 ATOM 499 CA LEU 71 29.861 32.413 19.101 1.00 0.00 ATOM 500 CB LEU 71 29.653 33.588 20.080 1.00 0.00 ATOM 501 CG LEU 71 30.922 34.331 20.523 1.00 0.00 ATOM 502 CD1 LEU 71 31.698 34.933 19.322 1.00 0.00 ATOM 503 CD2 LEU 71 30.628 35.413 21.565 1.00 0.00 ATOM 504 O LEU 71 32.065 31.491 19.263 1.00 0.00 ATOM 505 C LEU 71 30.907 31.468 19.686 1.00 0.00 ATOM 506 N THR 72 30.506 30.654 20.662 1.00 0.00 ATOM 507 CA THR 72 31.436 29.754 21.343 1.00 0.00 ATOM 508 CB THR 72 30.762 29.090 22.567 1.00 0.00 ATOM 509 CG2 THR 72 31.774 28.339 23.423 1.00 0.00 ATOM 510 OG1 THR 72 30.146 30.106 23.365 1.00 0.00 ATOM 511 O THR 72 33.132 28.223 20.584 1.00 0.00 ATOM 512 C THR 72 32.013 28.703 20.386 1.00 0.00 ATOM 513 N HIS 73 31.245 28.356 19.356 1.00 0.00 ATOM 514 CA HIS 73 31.700 27.394 18.353 1.00 0.00 ATOM 515 CB HIS 73 30.514 26.819 17.567 1.00 0.00 ATOM 516 CG HIS 73 29.568 26.012 18.402 1.00 0.00 ATOM 517 CD2 HIS 73 29.436 24.671 18.557 1.00 0.00 ATOM 518 ND1 HIS 73 28.580 26.587 19.175 1.00 0.00 ATOM 519 CE1 HIS 73 27.896 25.636 19.792 1.00 0.00 ATOM 520 NE2 HIS 73 28.396 24.464 19.433 1.00 0.00 ATOM 521 O HIS 73 33.442 27.241 16.735 1.00 0.00 ATOM 522 C HIS 73 32.693 27.986 17.359 1.00 0.00 ATOM 523 N LEU 74 32.687 29.311 17.191 1.00 0.00 ATOM 524 CA LEU 74 33.432 29.942 16.085 1.00 0.00 ATOM 525 CB LEU 74 33.120 31.445 15.972 1.00 0.00 ATOM 526 CG LEU 74 31.676 31.804 15.603 1.00 0.00 ATOM 527 CD1 LEU 74 31.587 33.341 15.493 1.00 0.00 ATOM 528 CD2 LEU 74 31.252 31.149 14.281 1.00 0.00 ATOM 529 O LEU 74 35.500 29.282 15.061 1.00 0.00 ATOM 530 C LEU 74 34.941 29.708 16.079 1.00 0.00 ATOM 531 N GLU 75 35.611 30.027 17.186 1.00 0.00 ATOM 532 CA GLU 75 37.068 29.856 17.237 1.00 0.00 ATOM 533 CB GLU 75 37.668 30.431 18.534 1.00 0.00 ATOM 534 CG GLU 75 39.205 30.398 18.605 1.00 0.00 ATOM 535 CD GLU 75 39.890 31.242 17.530 1.00 0.00 ATOM 536 OE1 GLU 75 39.379 32.330 17.153 1.00 0.00 ATOM 537 OE2 GLU 75 40.957 30.805 17.060 1.00 0.00 ATOM 538 O GLU 75 38.338 28.173 16.055 1.00 0.00 ATOM 539 C GLU 75 37.517 28.388 16.952 1.00 0.00 ATOM 540 N PRO 76 36.983 27.388 17.688 1.00 0.00 ATOM 541 CA PRO 76 37.423 26.019 17.310 1.00 0.00 ATOM 542 CB PRO 76 36.771 25.105 18.357 1.00 0.00 ATOM 543 CG PRO 76 36.087 25.996 19.350 1.00 0.00 ATOM 544 CD PRO 76 36.051 27.395 18.836 1.00 0.00 ATOM 545 O PRO 76 37.807 24.916 15.208 1.00 0.00 ATOM 546 C PRO 76 37.020 25.575 15.890 1.00 0.00 ATOM 547 N THR 77 35.820 25.945 15.442 1.00 0.00 ATOM 548 CA THR 77 35.413 25.617 14.072 1.00 0.00 ATOM 549 CB THR 77 33.963 26.002 13.790 1.00 0.00 ATOM 550 CG2 THR 77 33.580 25.611 12.358 1.00 0.00 ATOM 551 OG1 THR 77 33.121 25.299 14.705 1.00 0.00 ATOM 552 O THR 77 36.796 25.528 12.124 1.00 0.00 ATOM 553 C THR 77 36.336 26.229 13.023 1.00 0.00 ATOM 554 N CYS 78 36.624 27.526 13.151 1.00 0.00 ATOM 555 CA CYS 78 37.536 28.199 12.213 1.00 0.00 ATOM 556 CB CYS 78 37.580 29.700 12.496 1.00 0.00 ATOM 557 SG CYS 78 36.002 30.537 12.073 1.00 0.00 ATOM 558 O CYS 78 39.639 27.606 11.186 1.00 0.00 ATOM 559 C CYS 78 38.961 27.610 12.214 1.00 0.00 ATOM 560 N ALA 79 39.408 27.136 13.372 1.00 0.00 ATOM 561 CA ALA 79 40.721 26.501 13.499 1.00 0.00 ATOM 562 CB ALA 79 41.072 26.322 14.939 1.00 0.00 ATOM 563 O ALA 79 41.794 24.879 12.134 1.00 0.00 ATOM 564 C ALA 79 40.793 25.167 12.772 1.00 0.00 ATOM 565 N ALA 80 39.741 24.350 12.889 1.00 0.00 ATOM 566 CA ALA 80 39.631 23.108 12.125 1.00 0.00 ATOM 567 CB ALA 80 38.318 22.370 12.485 1.00 0.00 ATOM 568 O ALA 80 40.390 22.755 9.873 1.00 0.00 ATOM 569 C ALA 80 39.674 23.413 10.629 1.00 0.00 ATOM 570 N MET 81 38.907 24.419 10.207 1.00 0.00 ATOM 571 CA MET 81 38.905 24.849 8.806 1.00 0.00 ATOM 572 CB MET 81 37.919 25.987 8.588 1.00 0.00 ATOM 573 CG MET 81 36.470 25.576 8.792 1.00 0.00 ATOM 574 SD MET 81 35.328 26.985 8.840 1.00 0.00 ATOM 575 CE MET 81 35.463 27.621 7.168 1.00 0.00 ATOM 576 O MET 81 40.766 24.760 7.293 1.00 0.00 ATOM 577 C MET 81 40.302 25.250 8.322 1.00 0.00 ATOM 578 N GLU 82 40.984 26.104 9.086 1.00 0.00 ATOM 579 CA GLU 82 42.319 26.561 8.687 1.00 0.00 ATOM 580 CB GLU 82 42.821 27.676 9.613 1.00 0.00 ATOM 581 CG GLU 82 44.219 28.248 9.246 1.00 0.00 ATOM 582 CD GLU 82 44.287 28.845 7.841 1.00 0.00 ATOM 583 OE1 GLU 82 43.237 29.174 7.246 1.00 0.00 ATOM 584 OE2 GLU 82 45.409 28.992 7.319 1.00 0.00 ATOM 585 O GLU 82 44.152 25.365 7.685 1.00 0.00 ATOM 586 C GLU 82 43.328 25.414 8.605 1.00 0.00 ATOM 587 N ALA 83 43.252 24.481 9.550 1.00 0.00 ATOM 588 CA ALA 83 44.136 23.311 9.527 1.00 0.00 ATOM 589 CB ALA 83 43.971 22.484 10.786 1.00 0.00 ATOM 590 O ALA 83 44.899 22.017 7.653 1.00 0.00 ATOM 591 C ALA 83 43.926 22.451 8.273 1.00 0.00 ATOM 592 N ALA 84 42.673 22.213 7.885 1.00 0.00 ATOM 593 CA ALA 84 42.398 21.473 6.646 1.00 0.00 ATOM 594 CB ALA 84 40.904 21.216 6.495 1.00 0.00 ATOM 595 O ALA 84 43.539 21.630 4.506 1.00 0.00 ATOM 596 C ALA 84 42.946 22.229 5.413 1.00 0.00 ATOM 597 N VAL 85 42.748 23.545 5.412 1.00 0.00 ATOM 598 CA VAL 85 43.208 24.419 4.322 1.00 0.00 ATOM 599 CB VAL 85 42.631 25.865 4.486 1.00 0.00 ATOM 600 CG1 VAL 85 43.375 26.885 3.617 1.00 0.00 ATOM 601 CG2 VAL 85 41.128 25.871 4.166 1.00 0.00 ATOM 602 O VAL 85 45.294 24.277 3.143 1.00 0.00 ATOM 603 C VAL 85 44.735 24.432 4.228 1.00 0.00 ATOM 604 N ARG 86 45.406 24.583 5.368 1.00 0.00 ATOM 605 CA ARG 86 46.867 24.663 5.365 1.00 0.00 ATOM 606 CB ARG 86 47.409 25.218 6.695 1.00 0.00 ATOM 607 CG ARG 86 48.490 26.256 6.448 1.00 0.00 ATOM 608 CD ARG 86 48.863 27.007 7.667 1.00 0.00 ATOM 609 NE ARG 86 47.945 28.102 7.965 1.00 0.00 ATOM 610 CZ ARG 86 48.140 28.987 8.938 1.00 0.00 ATOM 611 NH1 ARG 86 49.226 28.911 9.706 1.00 0.00 ATOM 612 NH2 ARG 86 47.263 29.955 9.134 1.00 0.00 ATOM 613 O ARG 86 48.611 23.276 4.438 1.00 0.00 ATOM 614 C ARG 86 47.515 23.321 4.993 1.00 0.00 ATOM 615 N ASP 87 46.806 22.231 5.265 1.00 0.00 ATOM 616 CA ASP 87 47.219 20.910 4.814 1.00 0.00 ATOM 617 CB ASP 87 46.602 19.850 5.730 1.00 0.00 ATOM 618 CG ASP 87 47.406 18.565 5.776 1.00 0.00 ATOM 619 OD1 ASP 87 48.632 18.591 5.519 1.00 0.00 ATOM 620 OD2 ASP 87 46.803 17.522 6.093 1.00 0.00 ATOM 621 O ASP 87 47.175 19.568 2.784 1.00 0.00 ATOM 622 C ASP 87 46.881 20.643 3.320 1.00 0.00 ATOM 623 N GLY 88 46.276 21.623 2.648 1.00 0.00 ATOM 624 CA GLY 88 46.072 21.533 1.201 1.00 0.00 ATOM 625 O GLY 88 44.438 21.195 -0.501 1.00 0.00 ATOM 626 C GLY 88 44.682 21.201 0.704 1.00 0.00 ATOM 627 N GLY 89 43.759 20.929 1.615 1.00 0.00 ATOM 628 CA GLY 89 42.408 20.583 1.185 1.00 0.00 ATOM 629 O GLY 89 41.970 22.930 1.411 1.00 0.00 ATOM 630 C GLY 89 41.558 21.829 1.036 1.00 0.00 ATOM 631 N SER 90 40.359 21.652 0.491 1.00 0.00 ATOM 632 CA SER 90 39.381 22.728 0.487 1.00 0.00 ATOM 633 CB SER 90 38.802 22.906 -0.920 1.00 0.00 ATOM 634 OG SER 90 39.804 23.434 -1.768 1.00 0.00 ATOM 635 O SER 90 37.993 21.273 1.824 1.00 0.00 ATOM 636 C SER 90 38.290 22.435 1.509 1.00 0.00 ATOM 637 N CYS 91 37.715 23.497 2.052 1.00 0.00 ATOM 638 CA CYS 91 36.695 23.329 3.045 1.00 0.00 ATOM 639 CB CYS 91 37.054 24.125 4.298 1.00 0.00 ATOM 640 SG CYS 91 35.898 23.903 5.613 1.00 0.00 ATOM 641 O CYS 91 35.215 24.824 1.916 1.00 0.00 ATOM 642 C CYS 91 35.343 23.758 2.496 1.00 0.00 ATOM 643 N LEU 92 34.341 22.902 2.692 1.00 0.00 ATOM 644 CA LEU 92 32.968 23.277 2.374 1.00 0.00 ATOM 645 CB LEU 92 32.284 22.203 1.520 1.00 0.00 ATOM 646 CG LEU 92 30.754 22.302 1.372 1.00 0.00 ATOM 647 CD1 LEU 92 30.322 23.584 0.640 1.00 0.00 ATOM 648 CD2 LEU 92 30.230 21.058 0.655 1.00 0.00 ATOM 649 O LEU 92 32.216 22.566 4.527 1.00 0.00 ATOM 650 C LEU 92 32.210 23.457 3.683 1.00 0.00 ATOM 651 N VAL 93 31.572 24.611 3.851 1.00 0.00 ATOM 652 CA VAL 93 30.740 24.872 5.005 1.00 0.00 ATOM 653 CB VAL 93 30.947 26.280 5.601 1.00 0.00 ATOM 654 CG1 VAL 93 30.083 26.471 6.846 1.00 0.00 ATOM 655 CG2 VAL 93 32.396 26.527 5.962 1.00 0.00 ATOM 656 O VAL 93 28.954 25.576 3.587 1.00 0.00 ATOM 657 C VAL 93 29.309 24.819 4.484 1.00 0.00 ATOM 658 N TYR 94 28.492 23.923 5.026 1.00 0.00 ATOM 659 CA TYR 94 27.088 23.907 4.642 1.00 0.00 ATOM 660 CB TYR 94 26.804 22.798 3.621 1.00 0.00 ATOM 661 CG TYR 94 26.892 21.359 4.108 1.00 0.00 ATOM 662 CD1 TYR 94 25.845 20.770 4.825 1.00 0.00 ATOM 663 CD2 TYR 94 27.986 20.564 3.775 1.00 0.00 ATOM 664 CE1 TYR 94 25.905 19.440 5.232 1.00 0.00 ATOM 665 CE2 TYR 94 28.057 19.225 4.182 1.00 0.00 ATOM 666 CZ TYR 94 27.019 18.676 4.922 1.00 0.00 ATOM 667 OH TYR 94 27.088 17.343 5.318 1.00 0.00 ATOM 668 O TYR 94 26.526 23.506 6.945 1.00 0.00 ATOM 669 C TYR 94 26.138 23.857 5.830 1.00 0.00 ATOM 670 N CYS 95 24.893 24.251 5.583 1.00 0.00 ATOM 671 CA CYS 95 23.800 24.031 6.517 1.00 0.00 ATOM 672 CB CYS 95 23.466 25.321 7.293 1.00 0.00 ATOM 673 SG CYS 95 22.877 26.711 6.261 1.00 0.00 ATOM 674 O CYS 95 22.769 23.307 4.471 1.00 0.00 ATOM 675 C CYS 95 22.624 23.519 5.675 1.00 0.00 ATOM 676 N LYS 96 21.467 23.307 6.282 1.00 0.00 ATOM 677 CA LYS 96 20.339 22.730 5.539 1.00 0.00 ATOM 678 CB LYS 96 19.088 22.755 6.412 1.00 0.00 ATOM 679 CG LYS 96 17.820 22.289 5.719 1.00 0.00 ATOM 680 CD LYS 96 16.667 22.453 6.707 1.00 0.00 ATOM 681 CE LYS 96 15.459 21.660 6.295 1.00 0.00 ATOM 682 NZ LYS 96 14.359 21.877 7.276 1.00 0.00 ATOM 683 O LYS 96 20.071 22.802 3.135 1.00 0.00 ATOM 684 C LYS 96 20.076 23.437 4.195 1.00 0.00 ATOM 685 N ASN 97 19.893 24.752 4.240 1.00 0.00 ATOM 686 CA ASN 97 19.491 25.513 3.055 1.00 0.00 ATOM 687 CB ASN 97 18.149 26.223 3.329 1.00 0.00 ATOM 688 CG ASN 97 18.276 27.412 4.273 1.00 0.00 ATOM 689 ND2 ASN 97 17.232 28.230 4.320 1.00 0.00 ATOM 690 OD1 ASN 97 19.283 27.590 4.954 1.00 0.00 ATOM 691 O ASN 97 20.303 27.267 1.599 1.00 0.00 ATOM 692 C ASN 97 20.552 26.494 2.528 1.00 0.00 ATOM 693 N GLY 98 21.736 26.463 3.128 1.00 0.00 ATOM 694 CA GLY 98 22.824 27.339 2.701 1.00 0.00 ATOM 695 O GLY 98 23.059 29.670 2.170 1.00 0.00 ATOM 696 C GLY 98 22.582 28.820 2.944 1.00 0.00 ATOM 697 N ARG 99 21.821 29.151 3.993 1.00 0.00 ATOM 698 CA ARG 99 21.510 30.567 4.262 1.00 0.00 ATOM 699 CB ARG 99 20.000 30.843 4.220 1.00 0.00 ATOM 700 CG ARG 99 19.439 30.548 2.847 1.00 0.00 ATOM 701 CD ARG 99 18.100 31.221 2.594 1.00 0.00 ATOM 702 NE ARG 99 17.622 30.855 1.265 1.00 0.00 ATOM 703 CZ ARG 99 16.872 31.627 0.488 1.00 0.00 ATOM 704 NH1 ARG 99 16.516 32.842 0.889 1.00 0.00 ATOM 705 NH2 ARG 99 16.494 31.186 -0.704 1.00 0.00 ATOM 706 O ARG 99 23.140 31.856 5.404 1.00 0.00 ATOM 707 C ARG 99 22.145 31.164 5.511 1.00 0.00 ATOM 708 N SER 100 21.576 30.918 6.686 1.00 0.00 ATOM 709 CA SER 100 22.024 31.648 7.861 1.00 0.00 ATOM 710 CB SER 100 20.884 31.788 8.866 1.00 0.00 ATOM 711 OG SER 100 21.364 32.297 10.102 1.00 0.00 ATOM 712 O SER 100 24.283 31.777 8.691 1.00 0.00 ATOM 713 C SER 100 23.283 31.074 8.528 1.00 0.00 ATOM 714 N ARG 101 23.228 29.799 8.906 1.00 0.00 ATOM 715 CA ARG 101 24.320 29.179 9.660 1.00 0.00 ATOM 716 CB ARG 101 23.895 27.805 10.182 1.00 0.00 ATOM 717 CG ARG 101 22.922 27.889 11.359 1.00 0.00 ATOM 718 CD ARG 101 22.279 26.549 11.695 1.00 0.00 ATOM 719 NE ARG 101 21.294 26.128 10.704 1.00 0.00 ATOM 720 CZ ARG 101 20.534 25.044 10.815 1.00 0.00 ATOM 721 NH1 ARG 101 20.625 24.253 11.881 1.00 0.00 ATOM 722 NH2 ARG 101 19.671 24.753 9.851 1.00 0.00 ATOM 723 O ARG 101 26.679 29.491 9.380 1.00 0.00 ATOM 724 C ARG 101 25.639 29.076 8.876 1.00 0.00 ATOM 725 N SER 102 25.589 28.533 7.656 1.00 0.00 ATOM 726 CA SER 102 26.797 28.406 6.831 1.00 0.00 ATOM 727 CB SER 102 26.505 27.592 5.571 1.00 0.00 ATOM 728 OG SER 102 25.449 28.176 4.831 1.00 0.00 ATOM 729 O SER 102 28.622 29.929 6.420 1.00 0.00 ATOM 730 C SER 102 27.399 29.774 6.469 1.00 0.00 ATOM 731 N ALA 103 26.540 30.763 6.221 1.00 0.00 ATOM 732 CA ALA 103 27.010 32.116 5.930 1.00 0.00 ATOM 733 CB ALA 103 25.840 33.018 5.530 1.00 0.00 ATOM 734 O ALA 103 28.825 33.314 6.954 1.00 0.00 ATOM 735 C ALA 103 27.757 32.711 7.112 1.00 0.00 ATOM 736 N ALA 104 27.199 32.529 8.304 1.00 0.00 ATOM 737 CA ALA 104 27.820 33.064 9.513 1.00 0.00 ATOM 738 CB ALA 104 26.882 32.885 10.712 1.00 0.00 ATOM 739 O ALA 104 30.159 33.066 10.079 1.00 0.00 ATOM 740 C ALA 104 29.179 32.389 9.757 1.00 0.00 ATOM 741 N VAL 105 29.251 31.065 9.574 1.00 0.00 ATOM 742 CA VAL 105 30.531 30.372 9.768 1.00 0.00 ATOM 743 CB VAL 105 30.361 28.835 9.923 1.00 0.00 ATOM 744 CG1 VAL 105 31.733 28.129 9.969 1.00 0.00 ATOM 745 CG2 VAL 105 29.589 28.534 11.211 1.00 0.00 ATOM 746 O VAL 105 32.743 31.026 9.090 1.00 0.00 ATOM 747 C VAL 105 31.595 30.754 8.723 1.00 0.00 ATOM 748 N CYS 106 31.231 30.800 7.440 1.00 0.00 ATOM 749 CA CYS 106 32.171 31.275 6.407 1.00 0.00 ATOM 750 CB CYS 106 31.557 31.248 5.000 1.00 0.00 ATOM 751 SG CYS 106 31.309 29.627 4.341 1.00 0.00 ATOM 752 O CYS 106 33.835 32.974 6.469 1.00 0.00 ATOM 753 C CYS 106 32.659 32.690 6.672 1.00 0.00 ATOM 754 N THR 107 31.748 33.569 7.103 1.00 0.00 ATOM 755 CA THR 107 32.085 34.962 7.439 1.00 0.00 ATOM 756 CB THR 107 30.813 35.815 7.773 1.00 0.00 ATOM 757 CG2 THR 107 31.180 37.262 8.066 1.00 0.00 ATOM 758 OG1 THR 107 29.899 35.792 6.671 1.00 0.00 ATOM 759 O THR 107 34.088 35.736 8.533 1.00 0.00 ATOM 760 C THR 107 33.083 35.016 8.602 1.00 0.00 ATOM 761 N ALA 108 32.827 34.230 9.652 1.00 0.00 ATOM 762 CA ALA 108 33.765 34.132 10.768 1.00 0.00 ATOM 763 CB ALA 108 33.228 33.165 11.850 1.00 0.00 ATOM 764 O ALA 108 36.168 34.285 10.717 1.00 0.00 ATOM 765 C ALA 108 35.154 33.700 10.304 1.00 0.00 ATOM 766 N TYR 109 35.199 32.692 9.435 1.00 0.00 ATOM 767 CA TYR 109 36.480 32.143 8.956 1.00 0.00 ATOM 768 CB TYR 109 36.261 30.892 8.089 1.00 0.00 ATOM 769 CG TYR 109 37.542 30.439 7.432 1.00 0.00 ATOM 770 CD1 TYR 109 38.449 29.618 8.112 1.00 0.00 ATOM 771 CD2 TYR 109 37.869 30.864 6.143 1.00 0.00 ATOM 772 CE1 TYR 109 39.653 29.233 7.511 1.00 0.00 ATOM 773 CE2 TYR 109 39.069 30.492 5.541 1.00 0.00 ATOM 774 CZ TYR 109 39.953 29.680 6.227 1.00 0.00 ATOM 775 OH TYR 109 41.138 29.321 5.614 1.00 0.00 ATOM 776 O TYR 109 38.522 33.289 8.354 1.00 0.00 ATOM 777 C TYR 109 37.300 33.181 8.184 1.00 0.00 ATOM 778 N LEU 110 36.622 33.940 7.336 1.00 0.00 ATOM 779 CA LEU 110 37.280 34.989 6.543 1.00 0.00 ATOM 780 CB LEU 110 36.304 35.559 5.511 1.00 0.00 ATOM 781 CG LEU 110 35.880 34.629 4.354 1.00 0.00 ATOM 782 CD1 LEU 110 34.740 35.255 3.573 1.00 0.00 ATOM 783 CD2 LEU 110 37.028 34.341 3.429 1.00 0.00 ATOM 784 O LEU 110 38.958 36.608 7.136 1.00 0.00 ATOM 785 C LEU 110 37.874 36.102 7.420 1.00 0.00 ATOM 786 N MET 111 37.176 36.474 8.491 1.00 0.00 ATOM 787 CA MET 111 37.726 37.447 9.449 1.00 0.00 ATOM 788 CB MET 111 36.679 37.861 10.478 1.00 0.00 ATOM 789 CG MET 111 35.513 38.661 9.945 1.00 0.00 ATOM 790 SD MET 111 34.619 39.321 11.364 1.00 0.00 ATOM 791 CE MET 111 33.672 37.880 11.864 1.00 0.00 ATOM 792 O MET 111 39.893 37.568 10.463 1.00 0.00 ATOM 793 C MET 111 38.900 36.876 10.212 1.00 0.00 ATOM 794 N ARG 112 38.759 35.618 10.613 1.00 0.00 ATOM 795 CA ARG 112 39.716 34.968 11.503 1.00 0.00 ATOM 796 CB ARG 112 39.083 33.701 12.105 1.00 0.00 ATOM 797 CG ARG 112 39.962 32.927 13.079 1.00 0.00 ATOM 798 CD ARG 112 40.542 33.829 14.181 1.00 0.00 ATOM 799 NE ARG 112 41.386 33.026 15.043 1.00 0.00 ATOM 800 CZ ARG 112 42.680 32.809 14.849 1.00 0.00 ATOM 801 NH1 ARG 112 43.329 33.390 13.841 1.00 0.00 ATOM 802 NH2 ARG 112 43.335 32.027 15.695 1.00 0.00 ATOM 803 O ARG 112 42.112 34.754 11.392 1.00 0.00 ATOM 804 C ARG 112 41.025 34.617 10.808 1.00 0.00 ATOM 805 N HIS 113 40.923 34.167 9.563 1.00 0.00 ATOM 806 CA HIS 113 42.074 33.588 8.893 1.00 0.00 ATOM 807 CB HIS 113 41.879 32.078 8.718 1.00 0.00 ATOM 808 CG HIS 113 41.893 31.330 10.012 1.00 0.00 ATOM 809 CD2 HIS 113 40.915 30.665 10.670 1.00 0.00 ATOM 810 ND1 HIS 113 43.019 31.236 10.801 1.00 0.00 ATOM 811 CE1 HIS 113 42.737 30.542 11.888 1.00 0.00 ATOM 812 NE2 HIS 113 41.468 30.178 11.830 1.00 0.00 ATOM 813 O HIS 113 43.479 33.900 7.013 1.00 0.00 ATOM 814 C HIS 113 42.450 34.238 7.571 1.00 0.00 ATOM 815 N ARG 114 41.625 35.154 7.070 1.00 0.00 ATOM 816 CA ARG 114 41.953 35.832 5.807 1.00 0.00 ATOM 817 CB ARG 114 40.933 35.476 4.710 1.00 0.00 ATOM 818 CG ARG 114 40.801 33.967 4.430 1.00 0.00 ATOM 819 CD ARG 114 42.044 33.367 3.765 1.00 0.00 ATOM 820 NE ARG 114 41.938 31.907 3.687 1.00 0.00 ATOM 821 CZ ARG 114 41.472 31.233 2.637 1.00 0.00 ATOM 822 NH1 ARG 114 41.088 31.869 1.530 1.00 0.00 ATOM 823 NH2 ARG 114 41.399 29.910 2.691 1.00 0.00 ATOM 824 O ARG 114 42.314 38.064 4.968 1.00 0.00 ATOM 825 C ARG 114 42.128 37.356 5.954 1.00 0.00 ATOM 826 N GLY 115 42.050 37.848 7.185 1.00 0.00 ATOM 827 CA GLY 115 42.313 39.263 7.476 1.00 0.00 ATOM 828 O GLY 115 41.488 41.449 7.043 1.00 0.00 ATOM 829 C GLY 115 41.229 40.253 7.093 1.00 0.00 ATOM 830 N HIS 116 40.014 39.770 6.830 1.00 0.00 ATOM 831 CA HIS 116 38.938 40.653 6.395 1.00 0.00 ATOM 832 CB HIS 116 38.026 39.957 5.366 1.00 0.00 ATOM 833 CG HIS 116 38.756 39.470 4.152 1.00 0.00 ATOM 834 CD2 HIS 116 39.008 38.217 3.706 1.00 0.00 ATOM 835 ND1 HIS 116 39.330 40.325 3.236 1.00 0.00 ATOM 836 CE1 HIS 116 39.907 39.619 2.279 1.00 0.00 ATOM 837 NE2 HIS 116 39.731 38.336 2.543 1.00 0.00 ATOM 838 O HIS 116 37.880 40.444 8.532 1.00 0.00 ATOM 839 C HIS 116 38.111 41.162 7.560 1.00 0.00 ATOM 840 N SER 117 37.647 42.402 7.447 1.00 0.00 ATOM 841 CA SER 117 36.695 42.956 8.402 1.00 0.00 ATOM 842 CB SER 117 36.462 44.433 8.092 1.00 0.00 ATOM 843 OG SER 117 35.685 44.540 6.905 1.00 0.00 ATOM 844 O SER 117 35.165 41.611 7.166 1.00 0.00 ATOM 845 C SER 117 35.381 42.218 8.213 1.00 0.00 ATOM 846 N LEU 118 34.496 42.299 9.202 1.00 0.00 ATOM 847 CA LEU 118 33.160 41.698 9.098 1.00 0.00 ATOM 848 CB LEU 118 32.321 42.065 10.325 1.00 0.00 ATOM 849 CG LEU 118 30.875 41.579 10.380 1.00 0.00 ATOM 850 CD1 LEU 118 30.755 40.049 10.242 1.00 0.00 ATOM 851 CD2 LEU 118 30.281 42.041 11.685 1.00 0.00 ATOM 852 O LEU 118 31.879 41.172 7.123 1.00 0.00 ATOM 853 C LEU 118 32.407 42.057 7.818 1.00 0.00 ATOM 854 N ASP 119 32.361 43.349 7.503 1.00 0.00 ATOM 855 CA ASP 119 31.661 43.806 6.308 1.00 0.00 ATOM 856 CB ASP 119 31.633 45.335 6.251 1.00 0.00 ATOM 857 CG ASP 119 30.755 45.946 7.328 1.00 0.00 ATOM 858 OD1 ASP 119 29.833 45.261 7.824 1.00 0.00 ATOM 859 OD2 ASP 119 30.999 47.121 7.678 1.00 0.00 ATOM 860 O ASP 119 31.549 42.839 4.124 1.00 0.00 ATOM 861 C ASP 119 32.272 43.254 5.025 1.00 0.00 ATOM 862 N ARG 120 33.600 43.253 4.938 1.00 0.00 ATOM 863 CA ARG 120 34.273 42.761 3.741 1.00 0.00 ATOM 864 CB ARG 120 35.773 43.069 3.811 1.00 0.00 ATOM 865 CG ARG 120 36.568 42.783 2.518 1.00 0.00 ATOM 866 CD ARG 120 36.223 43.743 1.357 1.00 0.00 ATOM 867 NE ARG 120 36.006 45.123 1.804 1.00 0.00 ATOM 868 CZ ARG 120 36.962 46.043 1.936 1.00 0.00 ATOM 869 NH1 ARG 120 38.228 45.750 1.655 1.00 0.00 ATOM 870 NH2 ARG 120 36.650 47.264 2.354 1.00 0.00 ATOM 871 O ARG 120 33.825 40.742 2.506 1.00 0.00 ATOM 872 C ARG 120 34.072 41.247 3.597 1.00 0.00 ATOM 873 N ALA 121 34.211 40.546 4.717 1.00 0.00 ATOM 874 CA ALA 121 34.041 39.111 4.773 1.00 0.00 ATOM 875 CB ALA 121 34.357 38.592 6.181 1.00 0.00 ATOM 876 O ALA 121 32.426 37.886 3.524 1.00 0.00 ATOM 877 C ALA 121 32.617 38.754 4.363 1.00 0.00 ATOM 878 N PHE 122 31.613 39.431 4.918 1.00 0.00 ATOM 879 CA PHE 122 30.243 39.083 4.539 1.00 0.00 ATOM 880 CB PHE 122 29.176 39.686 5.459 1.00 0.00 ATOM 881 CG PHE 122 27.784 39.298 5.062 1.00 0.00 ATOM 882 CD1 PHE 122 27.406 37.953 5.059 1.00 0.00 ATOM 883 CD2 PHE 122 26.872 40.250 4.635 1.00 0.00 ATOM 884 CE1 PHE 122 26.156 37.573 4.650 1.00 0.00 ATOM 885 CE2 PHE 122 25.592 39.869 4.239 1.00 0.00 ATOM 886 CZ PHE 122 25.235 38.532 4.253 1.00 0.00 ATOM 887 O PHE 122 29.232 38.611 2.409 1.00 0.00 ATOM 888 C PHE 122 29.925 39.391 3.067 1.00 0.00 ATOM 889 N GLN 123 30.447 40.508 2.557 1.00 0.00 ATOM 890 CA GLN 123 30.312 40.843 1.139 1.00 0.00 ATOM 891 CB GLN 123 30.992 42.196 0.827 1.00 0.00 ATOM 892 CG GLN 123 31.309 42.476 -0.655 1.00 0.00 ATOM 893 CD GLN 123 32.688 41.964 -1.100 1.00 0.00 ATOM 894 OE1 GLN 123 33.717 42.274 -0.484 1.00 0.00 ATOM 895 NE2 GLN 123 32.708 41.183 -2.183 1.00 0.00 ATOM 896 O GLN 123 30.197 39.369 -0.752 1.00 0.00 ATOM 897 C GLN 123 30.833 39.706 0.243 1.00 0.00 ATOM 898 N MET 124 31.972 39.106 0.608 1.00 0.00 ATOM 899 CA MET 124 32.535 37.982 -0.170 1.00 0.00 ATOM 900 CB MET 124 33.914 37.581 0.362 1.00 0.00 ATOM 901 CG MET 124 35.015 38.615 0.108 1.00 0.00 ATOM 902 SD MET 124 36.508 38.297 1.087 1.00 0.00 ATOM 903 CE MET 124 37.141 36.803 0.323 1.00 0.00 ATOM 904 O MET 124 31.456 36.104 -1.239 1.00 0.00 ATOM 905 C MET 124 31.615 36.753 -0.198 1.00 0.00 ATOM 906 N VAL 125 31.046 36.421 0.957 1.00 0.00 ATOM 907 CA VAL 125 30.090 35.318 1.059 1.00 0.00 ATOM 908 CB VAL 125 29.693 35.074 2.545 1.00 0.00 ATOM 909 CG1 VAL 125 28.590 34.036 2.657 1.00 0.00 ATOM 910 CG2 VAL 125 30.924 34.658 3.364 1.00 0.00 ATOM 911 O VAL 125 28.437 34.789 -0.630 1.00 0.00 ATOM 912 C VAL 125 28.854 35.618 0.194 1.00 0.00 ATOM 913 N LYS 126 28.296 36.818 0.377 1.00 0.00 ATOM 914 CA LYS 126 27.122 37.268 -0.372 1.00 0.00 ATOM 915 CB LYS 126 26.753 38.693 0.053 1.00 0.00 ATOM 916 CG LYS 126 25.363 39.144 -0.351 1.00 0.00 ATOM 917 CD LYS 126 24.327 38.697 0.672 1.00 0.00 ATOM 918 CE LYS 126 23.069 39.553 0.599 1.00 0.00 ATOM 919 NZ LYS 126 22.284 39.298 -0.638 1.00 0.00 ATOM 920 O LYS 126 26.436 36.808 -2.641 1.00 0.00 ATOM 921 C LYS 126 27.333 37.212 -1.891 1.00 0.00 ATOM 922 N SER 127 28.514 37.622 -2.345 1.00 0.00 ATOM 923 CA SER 127 28.867 37.572 -3.778 1.00 0.00 ATOM 924 CB SER 127 30.237 38.193 -4.004 1.00 0.00 ATOM 925 OG SER 127 30.215 39.557 -3.636 1.00 0.00 ATOM 926 O SER 127 28.505 35.953 -5.512 1.00 0.00 ATOM 927 C SER 127 28.875 36.164 -4.354 1.00 0.00 ATOM 928 N ALA 128 29.307 35.204 -3.539 1.00 0.00 ATOM 929 CA ALA 128 29.347 33.808 -3.947 1.00 0.00 ATOM 930 CB ALA 128 30.299 33.037 -3.053 1.00 0.00 ATOM 931 O ALA 128 27.608 32.328 -4.708 1.00 0.00 ATOM 932 C ALA 128 27.946 33.190 -3.898 1.00 0.00 ATOM 933 N ARG 129 27.135 33.654 -2.950 1.00 0.00 ATOM 934 CA ARG 129 25.827 33.052 -2.671 1.00 0.00 ATOM 935 CB ARG 129 25.952 31.900 -1.662 1.00 0.00 ATOM 936 CG ARG 129 24.626 31.180 -1.415 1.00 0.00 ATOM 937 CD ARG 129 24.793 29.765 -0.926 1.00 0.00 ATOM 938 NE ARG 129 23.501 29.202 -0.536 1.00 0.00 ATOM 939 CZ ARG 129 22.635 28.628 -1.368 1.00 0.00 ATOM 940 NH1 ARG 129 22.911 28.505 -2.664 1.00 0.00 ATOM 941 NH2 ARG 129 21.489 28.161 -0.895 1.00 0.00 ATOM 942 O ARG 129 24.843 34.431 -0.966 1.00 0.00 ATOM 943 C ARG 129 24.871 34.134 -2.154 1.00 0.00 ATOM 944 N PRO 130 24.128 34.775 -3.072 1.00 0.00 ATOM 945 CA PRO 130 23.258 35.903 -2.735 1.00 0.00 ATOM 946 CB PRO 130 22.537 36.199 -4.057 1.00 0.00 ATOM 947 CG PRO 130 23.491 35.743 -5.097 1.00 0.00 ATOM 948 CD PRO 130 24.129 34.497 -4.520 1.00 0.00 ATOM 949 O PRO 130 21.993 36.573 -0.833 1.00 0.00 ATOM 950 C PRO 130 22.265 35.653 -1.592 1.00 0.00 ATOM 951 N VAL 131 21.760 34.426 -1.439 1.00 0.00 ATOM 952 CA VAL 131 20.825 34.129 -0.340 1.00 0.00 ATOM 953 CB VAL 131 19.897 32.931 -0.653 1.00 0.00 ATOM 954 CG1 VAL 131 19.106 33.212 -1.912 1.00 0.00 ATOM 955 CG2 VAL 131 20.690 31.613 -0.755 1.00 0.00 ATOM 956 O VAL 131 20.799 33.782 2.045 1.00 0.00 ATOM 957 C VAL 131 21.489 33.951 1.034 1.00 0.00 ATOM 958 N ALA 132 22.819 34.000 1.078 1.00 0.00 ATOM 959 CA ALA 132 23.523 34.010 2.359 1.00 0.00 ATOM 960 CB ALA 132 25.003 34.132 2.146 1.00 0.00 ATOM 961 O ALA 132 22.914 36.318 2.713 1.00 0.00 ATOM 962 C ALA 132 23.005 35.179 3.197 1.00 0.00 ATOM 963 N GLU 133 22.625 34.882 4.437 1.00 0.00 ATOM 964 CA GLU 133 22.040 35.875 5.335 1.00 0.00 ATOM 965 CB GLU 133 20.621 36.234 4.870 1.00 0.00 ATOM 966 CG GLU 133 19.947 37.393 5.608 1.00 0.00 ATOM 967 CD GLU 133 18.467 37.546 5.247 1.00 0.00 ATOM 968 OE1 GLU 133 17.915 36.676 4.532 1.00 0.00 ATOM 969 OE2 GLU 133 17.850 38.540 5.680 1.00 0.00 ATOM 970 O GLU 133 21.013 34.660 7.125 1.00 0.00 ATOM 971 C GLU 133 21.990 35.311 6.757 1.00 0.00 ATOM 972 N PRO 134 23.036 35.570 7.563 1.00 0.00 ATOM 973 CA PRO 134 23.045 35.168 8.971 1.00 0.00 ATOM 974 CB PRO 134 24.343 35.790 9.503 1.00 0.00 ATOM 975 CG PRO 134 25.196 35.992 8.311 1.00 0.00 ATOM 976 CD PRO 134 24.258 36.304 7.193 1.00 0.00 ATOM 977 O PRO 134 21.595 37.002 9.369 1.00 0.00 ATOM 978 C PRO 134 21.868 35.842 9.660 1.00 0.00 ATOM 979 N ASN 135 21.161 35.137 10.541 1.00 0.00 ATOM 980 CA ASN 135 20.127 35.799 11.320 1.00 0.00 ATOM 981 CB ASN 135 19.284 34.812 12.149 1.00 0.00 ATOM 982 CG ASN 135 20.022 34.253 13.354 1.00 0.00 ATOM 983 ND2 ASN 135 20.103 32.927 13.441 1.00 0.00 ATOM 984 OD1 ASN 135 20.490 34.997 14.202 1.00 0.00 ATOM 985 O ASN 135 21.990 36.934 12.360 1.00 0.00 ATOM 986 C ASN 135 20.767 36.913 12.160 1.00 0.00 ATOM 987 N LEU 136 19.944 37.849 12.623 1.00 0.00 ATOM 988 CA LEU 136 20.445 39.049 13.297 1.00 0.00 ATOM 989 CB LEU 136 19.320 40.090 13.440 1.00 0.00 ATOM 990 CG LEU 136 18.837 40.657 12.097 1.00 0.00 ATOM 991 CD1 LEU 136 17.638 41.576 12.247 1.00 0.00 ATOM 992 CD2 LEU 136 19.978 41.349 11.379 1.00 0.00 ATOM 993 O LEU 136 21.960 39.540 15.092 1.00 0.00 ATOM 994 C LEU 136 21.114 38.767 14.645 1.00 0.00 ATOM 995 N GLY 137 20.740 37.656 15.277 1.00 0.00 ATOM 996 CA GLY 137 21.413 37.202 16.493 1.00 0.00 ATOM 997 O GLY 137 23.768 37.133 16.874 1.00 0.00 ATOM 998 C GLY 137 22.832 36.761 16.176 1.00 0.00 ATOM 999 N PHE 138 22.984 35.982 15.106 1.00 0.00 ATOM 1000 CA PHE 138 24.309 35.562 14.632 1.00 0.00 ATOM 1001 CB PHE 138 24.191 34.542 13.487 1.00 0.00 ATOM 1002 CG PHE 138 23.654 33.192 13.901 1.00 0.00 ATOM 1003 CD1 PHE 138 23.473 32.858 15.245 1.00 0.00 ATOM 1004 CD2 PHE 138 23.377 32.232 12.932 1.00 0.00 ATOM 1005 CE1 PHE 138 22.992 31.597 15.603 1.00 0.00 ATOM 1006 CE2 PHE 138 22.891 30.973 13.284 1.00 0.00 ATOM 1007 CZ PHE 138 22.700 30.654 14.615 1.00 0.00 ATOM 1008 O PHE 138 26.361 36.804 14.389 1.00 0.00 ATOM 1009 C PHE 138 25.144 36.765 14.172 1.00 0.00 ATOM 1010 N TRP 139 24.495 37.762 13.561 1.00 0.00 ATOM 1011 CA TRP 139 25.214 38.972 13.132 1.00 0.00 ATOM 1012 CB TRP 139 24.321 39.901 12.299 1.00 0.00 ATOM 1013 CG TRP 139 25.109 40.991 11.637 1.00 0.00 ATOM 1014 CD1 TRP 139 25.163 42.300 12.011 1.00 0.00 ATOM 1015 CD2 TRP 139 25.986 40.862 10.509 1.00 0.00 ATOM 1016 CE2 TRP 139 26.516 42.147 10.246 1.00 0.00 ATOM 1017 CE3 TRP 139 26.354 39.791 9.678 1.00 0.00 ATOM 1018 NE1 TRP 139 25.996 43.004 11.180 1.00 0.00 ATOM 1019 CZ2 TRP 139 27.404 42.393 9.194 1.00 0.00 ATOM 1020 CZ3 TRP 139 27.236 40.035 8.631 1.00 0.00 ATOM 1021 CH2 TRP 139 27.758 41.328 8.403 1.00 0.00 ATOM 1022 O TRP 139 26.984 40.163 14.255 1.00 0.00 ATOM 1023 C TRP 139 25.833 39.717 14.322 1.00 0.00 ATOM 1024 N ALA 140 25.078 39.811 15.417 1.00 0.00 ATOM 1025 CA ALA 140 25.575 40.395 16.668 1.00 0.00 ATOM 1026 CB ALA 140 24.441 40.463 17.697 1.00 0.00 ATOM 1027 O ALA 140 27.726 40.173 17.722 1.00 0.00 ATOM 1028 C ALA 140 26.754 39.601 17.240 1.00 0.00 ATOM 1029 N GLN 141 26.646 38.276 17.196 1.00 0.00 ATOM 1030 CA GLN 141 27.713 37.404 17.682 1.00 0.00 ATOM 1031 CB GLN 141 27.215 35.958 17.729 1.00 0.00 ATOM 1032 CG GLN 141 26.104 35.757 18.771 1.00 0.00 ATOM 1033 CD GLN 141 25.466 34.388 18.724 1.00 0.00 ATOM 1034 OE1 GLN 141 26.152 33.376 18.567 1.00 0.00 ATOM 1035 NE2 GLN 141 24.141 34.342 18.872 1.00 0.00 ATOM 1036 O GLN 141 30.096 37.596 17.359 1.00 0.00 ATOM 1037 C GLN 141 28.973 37.562 16.831 1.00 0.00 ATOM 1038 N LEU 142 28.790 37.706 15.519 1.00 0.00 ATOM 1039 CA LEU 142 29.918 37.968 14.611 1.00 0.00 ATOM 1040 CB LEU 142 29.448 37.917 13.153 1.00 0.00 ATOM 1041 CG LEU 142 29.132 36.521 12.591 1.00 0.00 ATOM 1042 CD1 LEU 142 28.410 36.598 11.246 1.00 0.00 ATOM 1043 CD2 LEU 142 30.384 35.644 12.490 1.00 0.00 ATOM 1044 O LEU 142 31.856 39.414 14.786 1.00 0.00 ATOM 1045 C LEU 142 30.633 39.297 14.912 1.00 0.00 ATOM 1046 N GLN 143 29.860 40.295 15.335 1.00 0.00 ATOM 1047 CA GLN 143 30.419 41.585 15.710 1.00 0.00 ATOM 1048 CB GLN 143 29.303 42.614 15.870 1.00 0.00 ATOM 1049 CG GLN 143 28.757 43.080 14.546 1.00 0.00 ATOM 1050 CD GLN 143 27.645 44.098 14.691 1.00 0.00 ATOM 1051 OE1 GLN 143 26.700 43.899 15.446 1.00 0.00 ATOM 1052 NE2 GLN 143 27.739 45.178 13.939 1.00 0.00 ATOM 1053 O GLN 143 32.313 42.071 17.093 1.00 0.00 ATOM 1054 C GLN 143 31.237 41.479 16.983 1.00 0.00 ATOM 1055 N LYS 144 30.737 40.696 17.928 1.00 0.00 ATOM 1056 CA LYS 144 31.472 40.419 19.149 1.00 0.00 ATOM 1057 CB LYS 144 30.583 39.623 20.100 1.00 0.00 ATOM 1058 CG LYS 144 31.093 39.533 21.521 1.00 0.00 ATOM 1059 CD LYS 144 30.000 39.002 22.448 1.00 0.00 ATOM 1060 CE LYS 144 28.987 40.086 22.794 1.00 0.00 ATOM 1061 NZ LYS 144 28.172 39.700 23.979 1.00 0.00 ATOM 1062 O LYS 144 33.820 39.953 19.409 1.00 0.00 ATOM 1063 C LYS 144 32.767 39.662 18.840 1.00 0.00 ATOM 1064 N TYR 145 32.693 38.698 17.928 1.00 0.00 ATOM 1065 CA TYR 145 33.891 37.939 17.525 1.00 0.00 ATOM 1066 CB TYR 145 33.494 36.826 16.542 1.00 0.00 ATOM 1067 CG TYR 145 34.579 35.799 16.241 1.00 0.00 ATOM 1068 CD1 TYR 145 35.291 35.165 17.271 1.00 0.00 ATOM 1069 CD2 TYR 145 34.859 35.430 14.926 1.00 0.00 ATOM 1070 CE1 TYR 145 36.268 34.197 16.988 1.00 0.00 ATOM 1071 CE2 TYR 145 35.828 34.458 14.634 1.00 0.00 ATOM 1072 CZ TYR 145 36.524 33.853 15.664 1.00 0.00 ATOM 1073 OH TYR 145 37.479 32.906 15.361 1.00 0.00 ATOM 1074 O TYR 145 36.102 38.826 17.189 1.00 0.00 ATOM 1075 C TYR 145 34.912 38.875 16.880 1.00 0.00 ATOM 1076 N GLU 146 34.435 39.753 15.998 1.00 0.00 ATOM 1077 CA GLU 146 35.302 40.736 15.354 1.00 0.00 ATOM 1078 CB GLU 146 34.488 41.649 14.421 1.00 0.00 ATOM 1079 CG GLU 146 35.360 42.639 13.646 1.00 0.00 ATOM 1080 CD GLU 146 34.546 43.548 12.742 1.00 0.00 ATOM 1081 OE1 GLU 146 33.406 43.901 13.117 1.00 0.00 ATOM 1082 OE2 GLU 146 35.041 43.893 11.646 1.00 0.00 ATOM 1083 O GLU 146 37.267 41.817 16.244 1.00 0.00 ATOM 1084 C GLU 146 36.059 41.587 16.387 1.00 0.00 ATOM 1085 N GLN 147 35.360 42.027 17.433 1.00 0.00 ATOM 1086 CA GLN 147 35.965 42.874 18.473 1.00 0.00 ATOM 1087 CB GLN 147 34.890 43.406 19.419 1.00 0.00 ATOM 1088 CG GLN 147 33.984 44.460 18.794 1.00 0.00 ATOM 1089 CD GLN 147 32.551 44.367 19.279 1.00 0.00 ATOM 1090 OE1 GLN 147 32.262 43.717 20.284 1.00 0.00 ATOM 1091 NE2 GLN 147 31.639 45.010 18.557 1.00 0.00 ATOM 1092 O GLN 147 38.058 42.673 19.648 1.00 0.00 ATOM 1093 C GLN 147 37.022 42.112 19.261 1.00 0.00 ATOM 1094 N THR 148 36.740 40.832 19.503 1.00 0.00 ATOM 1095 CA THR 148 37.669 39.939 20.190 1.00 0.00 ATOM 1096 CB THR 148 37.004 38.568 20.466 1.00 0.00 ATOM 1097 CG2 THR 148 37.905 37.677 21.302 1.00 0.00 ATOM 1098 OG1 THR 148 35.769 38.776 21.160 1.00 0.00 ATOM 1099 O THR 148 40.037 39.835 19.856 1.00 0.00 ATOM 1100 C THR 148 38.926 39.756 19.348 1.00 0.00 ATOM 1101 N LEU 149 38.738 39.510 18.050 1.00 0.00 ATOM 1102 CA LEU 149 39.857 39.398 17.106 1.00 0.00 ATOM 1103 CB LEU 149 39.340 39.080 15.702 1.00 0.00 ATOM 1104 CG LEU 149 38.602 37.737 15.592 1.00 0.00 ATOM 1105 CD1 LEU 149 38.263 37.412 14.146 1.00 0.00 ATOM 1106 CD2 LEU 149 39.403 36.616 16.230 1.00 0.00 ATOM 1107 O LEU 149 41.958 40.552 17.065 1.00 0.00 ATOM 1108 C LEU 149 40.734 40.654 17.084 1.00 0.00 ATOM 1109 N GLN 150 40.097 41.828 17.108 1.00 0.00 ATOM 1110 CA GLN 150 40.799 43.113 17.229 1.00 0.00 ATOM 1111 CB GLN 150 39.808 44.273 17.130 1.00 0.00 ATOM 1112 CG GLN 150 39.228 44.439 15.716 1.00 0.00 ATOM 1113 CD GLN 150 38.186 45.528 15.609 1.00 0.00 ATOM 1114 OE1 GLN 150 37.673 46.024 16.610 1.00 0.00 ATOM 1115 NE2 GLN 150 37.854 45.899 14.379 1.00 0.00 ATOM 1116 O GLN 150 42.789 43.555 18.499 1.00 0.00 ATOM 1117 C GLN 150 41.608 43.216 18.529 1.00 0.00 ATOM 1118 N ALA 151 40.979 42.897 19.658 1.00 0.00 ATOM 1119 CA ALA 151 41.679 42.871 20.952 1.00 0.00 ATOM 1120 CB ALA 151 40.701 42.513 22.067 1.00 0.00 ATOM 1121 O ALA 151 43.896 42.150 21.582 1.00 0.00 ATOM 1122 C ALA 151 42.861 41.906 20.942 1.00 0.00 ATOM 1123 N GLN 152 42.712 40.816 20.189 1.00 0.00 ATOM 1124 CA GLN 152 43.751 39.795 20.077 1.00 0.00 ATOM 1125 CB GLN 152 43.120 38.427 19.763 1.00 0.00 ATOM 1126 CG GLN 152 42.410 37.777 20.945 1.00 0.00 ATOM 1127 CD GLN 152 41.643 36.510 20.567 1.00 0.00 ATOM 1128 OE1 GLN 152 41.257 36.320 19.418 1.00 0.00 ATOM 1129 NE2 GLN 152 41.400 35.655 21.547 1.00 0.00 ATOM 1130 O GLN 152 45.746 39.337 18.863 1.00 0.00 ATOM 1131 C GLN 152 44.812 40.112 19.030 1.00 0.00 ATOM 1132 N ALA 153 44.661 41.237 18.324 1.00 0.00 ATOM 1133 CA ALA 153 45.608 41.672 17.276 1.00 0.00 ATOM 1134 CB ALA 153 47.040 41.832 17.833 1.00 0.00 ATOM 1135 O ALA 153 46.518 40.814 15.202 1.00 0.00 ATOM 1136 C ALA 153 45.590 40.782 16.017 1.00 0.00 ATOM 1137 N ILE 154 44.522 39.995 15.875 1.00 0.00 ATOM 1138 CA ILE 154 44.294 39.163 14.697 1.00 0.00 ATOM 1139 CB ILE 154 43.337 37.997 15.053 1.00 0.00 ATOM 1140 CG1 ILE 154 44.064 37.001 15.972 1.00 0.00 ATOM 1141 CG2 ILE 154 42.775 37.311 13.779 1.00 0.00 ATOM 1142 CD1 ILE 154 43.182 35.903 16.548 1.00 0.00 ATOM 1143 O ILE 154 44.137 39.881 12.408 1.00 0.00 ATOM 1144 C ILE 154 43.738 40.026 13.556 1.00 0.00 ATOM 1145 N LEU 155 42.820 40.927 13.893 1.00 0.00 ATOM 1146 CA LEU 155 42.329 41.946 12.967 1.00 0.00 ATOM 1147 CB LEU 155 40.793 41.941 12.917 1.00 0.00 ATOM 1148 CG LEU 155 40.070 40.852 12.118 1.00 0.00 ATOM 1149 CD1 LEU 155 38.564 41.011 12.258 1.00 0.00 ATOM 1150 CD2 LEU 155 40.473 40.890 10.648 1.00 0.00 ATOM 1151 O LEU 155 42.991 43.549 14.621 1.00 0.00 ATOM 1152 C LEU 155 42.825 43.324 13.422 1.00 0.00 ATOM 1153 N PRO 156 43.069 44.246 12.468 1.00 0.00 ATOM 1154 CA PRO 156 43.392 45.629 12.837 1.00 0.00 ATOM 1155 CB PRO 156 43.946 46.231 11.537 1.00 0.00 ATOM 1156 CG PRO 156 43.998 45.101 10.526 1.00 0.00 ATOM 1157 CD PRO 156 43.069 44.046 11.007 1.00 0.00 ATOM 1158 O PRO 156 41.031 46.035 12.897 1.00 0.00 ATOM 1159 C PRO 156 42.149 46.409 13.259 1.00 0.00 ATOM 1160 N ARG 157 42.342 47.486 14.015 1.00 0.00 ATOM 1161 CA ARG 157 41.243 48.400 14.323 1.00 0.00 ATOM 1162 CB ARG 157 41.580 49.296 15.518 1.00 0.00 ATOM 1163 CG ARG 157 41.083 48.759 16.855 1.00 0.00 ATOM 1164 CD ARG 157 42.092 47.837 17.524 1.00 0.00 ATOM 1165 NE ARG 157 43.111 48.588 18.257 1.00 0.00 ATOM 1166 CZ ARG 157 43.837 48.105 19.264 1.00 0.00 ATOM 1167 NH1 ARG 157 44.737 48.882 19.854 1.00 0.00 ATOM 1168 NH2 ARG 157 43.668 46.856 19.689 1.00 0.00 ATOM 1169 O ARG 157 39.678 49.463 12.843 1.00 0.00 ATOM 1170 C ARG 157 40.863 49.244 13.103 1.00 0.00 ATOM 1171 N GLU 158 41.881 49.697 12.368 1.00 0.00 ATOM 1172 CA GLU 158 41.724 50.476 11.127 1.00 0.00 ATOM 1173 CB GLU 158 41.304 49.572 9.956 1.00 0.00 ATOM 1174 CG GLU 158 41.457 50.207 8.568 1.00 0.00 ATOM 1175 CD GLU 158 42.912 50.437 8.158 1.00 0.00 ATOM 1176 OE1 GLU 158 43.171 51.406 7.412 1.00 0.00 ATOM 1177 OE2 GLU 158 43.793 49.652 8.574 1.00 0.00 ATOM 1178 O GLU 158 41.067 52.760 10.748 1.00 0.00 ATOM 1179 C GLU 158 40.779 51.674 11.253 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 T0317.undertaker-align.pdb looking for model 1 WARNING: atoms too close: (T0317)P48.C and (T0317)G49.C only 0.000 apart, marking (T0317)G49.C as missing WARNING: atoms too close: (T0317)G49.N and (T0317)P50.N only 0.000 apart, marking (T0317)G49.N as missing WARNING: atoms too close: (T0317)G49.CA and (T0317)P50.CA only 0.000 apart, marking (T0317)G49.CA as missing # WARNING: incomplete conformation T0317 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 = 0.911 # GDT_score = -78.185 # GDT_score(maxd=8.000,maxw=2.900)= -81.419 # GDT_score(maxd=8.000,maxw=3.200)= -78.838 # GDT_score(maxd=8.000,maxw=3.500)= -75.590 # GDT_score(maxd=10.000,maxw=3.800)= -77.034 # GDT_score(maxd=10.000,maxw=4.000)= -74.871 # GDT_score(maxd=10.000,maxw=4.200)= -72.657 # GDT_score(maxd=12.000,maxw=4.300)= -75.444 # GDT_score(maxd=12.000,maxw=4.500)= -73.303 # GDT_score(maxd=12.000,maxw=4.700)= -71.121 # GDT_score(maxd=14.000,maxw=5.200)= -69.083 # GDT_score(maxd=14.000,maxw=5.500)= -66.033 # command:# ReadConformPDB reading from PDB file T0317.undertaker-align.pdb looking for model 2 WARNING: atoms too close: (T0317)R45.C and (T0317)Q46.C only 0.000 apart, marking (T0317)Q46.C as missing WARNING: atoms too close: (T0317)Q46.N and (T0317)Q47.N only 0.000 apart, marking (T0317)Q46.N as missing WARNING: atoms too close: (T0317)Q46.CA and (T0317)Q47.CA only 0.000 apart, marking (T0317)Q46.CA as missing # WARNING: incomplete conformation T0317 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 = 0.911 # GDT_score = -78.662 # GDT_score(maxd=8.000,maxw=2.900)= -81.144 # GDT_score(maxd=8.000,maxw=3.200)= -78.888 # GDT_score(maxd=8.000,maxw=3.500)= -76.059 # GDT_score(maxd=10.000,maxw=3.800)= -77.511 # GDT_score(maxd=10.000,maxw=4.000)= -75.567 # GDT_score(maxd=10.000,maxw=4.200)= -73.514 # GDT_score(maxd=12.000,maxw=4.300)= -76.163 # GDT_score(maxd=12.000,maxw=4.500)= -74.177 # GDT_score(maxd=12.000,maxw=4.700)= -72.165 # GDT_score(maxd=14.000,maxw=5.200)= -70.255 # GDT_score(maxd=14.000,maxw=5.500)= -67.311 # command:# ReadConformPDB reading from PDB file T0317.undertaker-align.pdb looking for model 3 WARNING: atoms too close: (T0317)P130.C and (T0317)V131.C only 0.000 apart, marking (T0317)V131.C as missing WARNING: atoms too close: (T0317)V131.N and (T0317)A132.N only 0.000 apart, marking (T0317)V131.N as missing WARNING: atoms too close: (T0317)V131.CA and (T0317)A132.CA only 0.000 apart, marking (T0317)V131.CA as missing # WARNING: incomplete conformation T0317 can't currently be optimized by undertaker # command:# naming current conformation align3 # command:# ReadConformPDB reading from PDB file T0317.undertaker-align.pdb looking for model 4 WARNING: atoms too close: (T0317)L70.C and (T0317)L71.C only 0.000 apart, marking (T0317)L71.C as missing WARNING: atoms too close: (T0317)L71.N and (T0317)T72.N only 0.000 apart, marking (T0317)L71.N as missing WARNING: atoms too close: (T0317)L71.CA and (T0317)T72.CA only 0.000 apart, marking (T0317)L71.CA as missing # WARNING: incomplete conformation T0317 can't currently be optimized by undertaker # command:# naming current conformation align4 # command:# ReadConformPDB reading from PDB file T0317.undertaker-align.pdb looking for model 5 WARNING: atoms too close: (T0317)A23.C and (T0317)A25.C only 0.000 apart, marking (T0317)A25.C as missing WARNING: atoms too close: (T0317)R24.N and (T0317)A26.N only 0.000 apart, marking (T0317)R24.N as missing WARNING: atoms too close: (T0317)R24.CA and (T0317)A26.CA only 0.000 apart, marking (T0317)R24.CA as missing WARNING: atoms too close: (T0317)L70.C and (T0317)L71.C only 0.000 apart, marking (T0317)L71.C as missing WARNING: atoms too close: (T0317)L71.N and (T0317)T72.N only 0.000 apart, marking (T0317)L71.N as missing WARNING: atoms too close: (T0317)L71.CA and (T0317)T72.CA only 0.000 apart, marking (T0317)L71.CA as missing WARNING: atoms too close: (T0317)L136.C and (T0317)G137.C only 0.000 apart, marking (T0317)G137.C as missing WARNING: atoms too close: (T0317)G137.N and (T0317)F138.N only 0.000 apart, marking (T0317)G137.N as missing WARNING: atoms too close: (T0317)G137.CA and (T0317)F138.CA only 0.000 apart, marking (T0317)G137.CA as missing # WARNING: incomplete conformation T0317 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 158 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file ../model2.ts-submitted looking for model 1 # Found a chain break before 158 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file ../model3.ts-submitted looking for model 1 # WARNING: incomplete conformation T0317 can't currently be optimized by undertaker # ReadConformPDB reading from PDB file ../model4.ts-submitted looking for model 1 # WARNING: incomplete conformation T0317 can't currently be optimized by undertaker # ReadConformPDB reading from PDB file ../model5.ts-submitted looking for model 1 # WARNING: incomplete conformation T0317 can't currently be optimized by undertaker # ReadConformPDB reading from PDB file T0317.try1-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 132 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0317.try1-opt1.pdb.gz looking for model 1 # Found a chain break before 132 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0317.try1-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 162 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0317.try1-opt2.pdb.gz looking for model 1 # Found a chain break before 158 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0317.try1-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 158 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0317.try2-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 158 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0317.try2-opt1.pdb.gz looking for model 1 # Found a chain break before 158 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0317.try2-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 47 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0317.try2-opt2.pdb.gz looking for model 1 # Found a chain break before 158 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0317.try2-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 158 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file servers/3D-JIGSAW_POPULUS_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0317 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_POPULUS_TS1 # request to SCWRL produces command: ulimit -t 147 ; scwrl3 -i /var/tmp/to_scwrl_915936225.pdb -s /var/tmp/to_scwrl_915936225.seq -o /var/tmp/from_scwrl_915936225.pdb > /var/tmp/scwrl_915936225.log sh: /var/tmp/scwrl_915936225.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_915936225.pdb or /var/tmp/from_scwrl_915936225.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_915936225_b.pdb or decoys//var/tmp/from_scwrl_915936225_b.pdb.gz for input Trying /var/tmp/from_scwrl_915936225_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_915936225_b.pdb or /var/tmp/from_scwrl_915936225_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_915936225_a.pdb or decoys//var/tmp/from_scwrl_915936225_a.pdb.gz for input Trying /var/tmp/from_scwrl_915936225_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_915936225_a.pdb or /var/tmp/from_scwrl_915936225_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_915936225.pdb or /var/tmp/from_scwrl_915936225_b.pdb or /var/tmp/from_scwrl_915936225_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 T0317 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_POPULUS_TS2 # request to SCWRL produces command: ulimit -t 147 ; scwrl3 -i /var/tmp/to_scwrl_1009107549.pdb -s /var/tmp/to_scwrl_1009107549.seq -o /var/tmp/from_scwrl_1009107549.pdb > /var/tmp/scwrl_1009107549.log sh: /var/tmp/scwrl_1009107549.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1009107549.pdb or /var/tmp/from_scwrl_1009107549.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1009107549_b.pdb or decoys//var/tmp/from_scwrl_1009107549_b.pdb.gz for input Trying /var/tmp/from_scwrl_1009107549_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1009107549_b.pdb or /var/tmp/from_scwrl_1009107549_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1009107549_a.pdb or decoys//var/tmp/from_scwrl_1009107549_a.pdb.gz for input Trying /var/tmp/from_scwrl_1009107549_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1009107549_a.pdb or /var/tmp/from_scwrl_1009107549_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1009107549.pdb or /var/tmp/from_scwrl_1009107549_b.pdb or /var/tmp/from_scwrl_1009107549_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 T0317 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_POPULUS_TS3 # request to SCWRL produces command: ulimit -t 147 ; scwrl3 -i /var/tmp/to_scwrl_633429571.pdb -s /var/tmp/to_scwrl_633429571.seq -o /var/tmp/from_scwrl_633429571.pdb > /var/tmp/scwrl_633429571.log sh: /var/tmp/scwrl_633429571.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_633429571.pdb or /var/tmp/from_scwrl_633429571.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_633429571_b.pdb or decoys//var/tmp/from_scwrl_633429571_b.pdb.gz for input Trying /var/tmp/from_scwrl_633429571_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_633429571_b.pdb or /var/tmp/from_scwrl_633429571_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_633429571_a.pdb or decoys//var/tmp/from_scwrl_633429571_a.pdb.gz for input Trying /var/tmp/from_scwrl_633429571_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_633429571_a.pdb or /var/tmp/from_scwrl_633429571_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_633429571.pdb or /var/tmp/from_scwrl_633429571_b.pdb or /var/tmp/from_scwrl_633429571_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 T0317 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_POPULUS_TS4 # request to SCWRL produces command: ulimit -t 147 ; scwrl3 -i /var/tmp/to_scwrl_1683297455.pdb -s /var/tmp/to_scwrl_1683297455.seq -o /var/tmp/from_scwrl_1683297455.pdb > /var/tmp/scwrl_1683297455.log sh: /var/tmp/scwrl_1683297455.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1683297455.pdb or /var/tmp/from_scwrl_1683297455.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1683297455_b.pdb or decoys//var/tmp/from_scwrl_1683297455_b.pdb.gz for input Trying /var/tmp/from_scwrl_1683297455_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1683297455_b.pdb or /var/tmp/from_scwrl_1683297455_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1683297455_a.pdb or decoys//var/tmp/from_scwrl_1683297455_a.pdb.gz for input Trying /var/tmp/from_scwrl_1683297455_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1683297455_a.pdb or /var/tmp/from_scwrl_1683297455_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1683297455.pdb or /var/tmp/from_scwrl_1683297455_b.pdb or /var/tmp/from_scwrl_1683297455_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 T0317 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_POPULUS_TS5 # request to SCWRL produces command: ulimit -t 147 ; scwrl3 -i /var/tmp/to_scwrl_406379223.pdb -s /var/tmp/to_scwrl_406379223.seq -o /var/tmp/from_scwrl_406379223.pdb > /var/tmp/scwrl_406379223.log sh: /var/tmp/scwrl_406379223.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_406379223.pdb or /var/tmp/from_scwrl_406379223.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_406379223_b.pdb or decoys//var/tmp/from_scwrl_406379223_b.pdb.gz for input Trying /var/tmp/from_scwrl_406379223_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_406379223_b.pdb or /var/tmp/from_scwrl_406379223_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_406379223_a.pdb or decoys//var/tmp/from_scwrl_406379223_a.pdb.gz for input Trying /var/tmp/from_scwrl_406379223_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_406379223_a.pdb or /var/tmp/from_scwrl_406379223_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_406379223.pdb or /var/tmp/from_scwrl_406379223_b.pdb or /var/tmp/from_scwrl_406379223_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 T0317 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS1 # request to SCWRL produces command: ulimit -t 147 ; scwrl3 -i /var/tmp/to_scwrl_188148043.pdb -s /var/tmp/to_scwrl_188148043.seq -o /var/tmp/from_scwrl_188148043.pdb > /var/tmp/scwrl_188148043.log sh: /var/tmp/scwrl_188148043.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_188148043.pdb or /var/tmp/from_scwrl_188148043.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_188148043_b.pdb or decoys//var/tmp/from_scwrl_188148043_b.pdb.gz for input Trying /var/tmp/from_scwrl_188148043_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_188148043_b.pdb or /var/tmp/from_scwrl_188148043_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_188148043_a.pdb or decoys//var/tmp/from_scwrl_188148043_a.pdb.gz for input Trying /var/tmp/from_scwrl_188148043_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_188148043_a.pdb or /var/tmp/from_scwrl_188148043_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_188148043.pdb or /var/tmp/from_scwrl_188148043_b.pdb or /var/tmp/from_scwrl_188148043_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 T0317 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS2 # request to SCWRL produces command: ulimit -t 147 ; scwrl3 -i /var/tmp/to_scwrl_217561413.pdb -s /var/tmp/to_scwrl_217561413.seq -o /var/tmp/from_scwrl_217561413.pdb > /var/tmp/scwrl_217561413.log sh: /var/tmp/scwrl_217561413.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_217561413.pdb or /var/tmp/from_scwrl_217561413.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_217561413_b.pdb or decoys//var/tmp/from_scwrl_217561413_b.pdb.gz for input Trying /var/tmp/from_scwrl_217561413_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_217561413_b.pdb or /var/tmp/from_scwrl_217561413_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_217561413_a.pdb or decoys//var/tmp/from_scwrl_217561413_a.pdb.gz for input Trying /var/tmp/from_scwrl_217561413_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_217561413_a.pdb or /var/tmp/from_scwrl_217561413_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_217561413.pdb or /var/tmp/from_scwrl_217561413_b.pdb or /var/tmp/from_scwrl_217561413_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 T0317 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS3 # request to SCWRL produces command: ulimit -t 147 ; scwrl3 -i /var/tmp/to_scwrl_70914971.pdb -s /var/tmp/to_scwrl_70914971.seq -o /var/tmp/from_scwrl_70914971.pdb > /var/tmp/scwrl_70914971.log sh: /var/tmp/scwrl_70914971.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_70914971.pdb or /var/tmp/from_scwrl_70914971.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_70914971_b.pdb or decoys//var/tmp/from_scwrl_70914971_b.pdb.gz for input Trying /var/tmp/from_scwrl_70914971_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_70914971_b.pdb or /var/tmp/from_scwrl_70914971_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_70914971_a.pdb or decoys//var/tmp/from_scwrl_70914971_a.pdb.gz for input Trying /var/tmp/from_scwrl_70914971_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_70914971_a.pdb or /var/tmp/from_scwrl_70914971_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_70914971.pdb or /var/tmp/from_scwrl_70914971_b.pdb or /var/tmp/from_scwrl_70914971_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 T0317 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS4 # request to SCWRL produces command: ulimit -t 147 ; scwrl3 -i /var/tmp/to_scwrl_1800270472.pdb -s /var/tmp/to_scwrl_1800270472.seq -o /var/tmp/from_scwrl_1800270472.pdb > /var/tmp/scwrl_1800270472.log sh: /var/tmp/scwrl_1800270472.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1800270472.pdb or /var/tmp/from_scwrl_1800270472.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1800270472_b.pdb or decoys//var/tmp/from_scwrl_1800270472_b.pdb.gz for input Trying /var/tmp/from_scwrl_1800270472_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1800270472_b.pdb or /var/tmp/from_scwrl_1800270472_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1800270472_a.pdb or decoys//var/tmp/from_scwrl_1800270472_a.pdb.gz for input Trying /var/tmp/from_scwrl_1800270472_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1800270472_a.pdb or /var/tmp/from_scwrl_1800270472_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1800270472.pdb or /var/tmp/from_scwrl_1800270472_b.pdb or /var/tmp/from_scwrl_1800270472_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 T0317 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS5 # request to SCWRL produces command: ulimit -t 147 ; scwrl3 -i /var/tmp/to_scwrl_1103841617.pdb -s /var/tmp/to_scwrl_1103841617.seq -o /var/tmp/from_scwrl_1103841617.pdb > /var/tmp/scwrl_1103841617.log sh: /var/tmp/scwrl_1103841617.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1103841617.pdb or /var/tmp/from_scwrl_1103841617.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1103841617_b.pdb or decoys//var/tmp/from_scwrl_1103841617_b.pdb.gz for input Trying /var/tmp/from_scwrl_1103841617_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1103841617_b.pdb or /var/tmp/from_scwrl_1103841617_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1103841617_a.pdb or decoys//var/tmp/from_scwrl_1103841617_a.pdb.gz for input Trying /var/tmp/from_scwrl_1103841617_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1103841617_a.pdb or /var/tmp/from_scwrl_1103841617_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1103841617.pdb or /var/tmp/from_scwrl_1103841617_b.pdb or /var/tmp/from_scwrl_1103841617_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 T0317 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_TS1 # request to SCWRL produces command: ulimit -t 147 ; scwrl3 -i /var/tmp/to_scwrl_1440128703.pdb -s /var/tmp/to_scwrl_1440128703.seq -o /var/tmp/from_scwrl_1440128703.pdb > /var/tmp/scwrl_1440128703.log sh: /var/tmp/scwrl_1440128703.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1440128703.pdb or /var/tmp/from_scwrl_1440128703.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1440128703_b.pdb or decoys//var/tmp/from_scwrl_1440128703_b.pdb.gz for input Trying /var/tmp/from_scwrl_1440128703_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1440128703_b.pdb or /var/tmp/from_scwrl_1440128703_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1440128703_a.pdb or decoys//var/tmp/from_scwrl_1440128703_a.pdb.gz for input Trying /var/tmp/from_scwrl_1440128703_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1440128703_a.pdb or /var/tmp/from_scwrl_1440128703_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1440128703.pdb or /var/tmp/from_scwrl_1440128703_b.pdb or /var/tmp/from_scwrl_1440128703_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 T0317 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_TS2 # request to SCWRL produces command: ulimit -t 147 ; scwrl3 -i /var/tmp/to_scwrl_605327258.pdb -s /var/tmp/to_scwrl_605327258.seq -o /var/tmp/from_scwrl_605327258.pdb > /var/tmp/scwrl_605327258.log sh: /var/tmp/scwrl_605327258.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_605327258.pdb or /var/tmp/from_scwrl_605327258.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_605327258_b.pdb or decoys//var/tmp/from_scwrl_605327258_b.pdb.gz for input Trying /var/tmp/from_scwrl_605327258_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_605327258_b.pdb or /var/tmp/from_scwrl_605327258_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_605327258_a.pdb or decoys//var/tmp/from_scwrl_605327258_a.pdb.gz for input Trying /var/tmp/from_scwrl_605327258_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_605327258_a.pdb or /var/tmp/from_scwrl_605327258_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_605327258.pdb or /var/tmp/from_scwrl_605327258_b.pdb or /var/tmp/from_scwrl_605327258_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 T0317 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_TS3 # request to SCWRL produces command: ulimit -t 147 ; scwrl3 -i /var/tmp/to_scwrl_129898320.pdb -s /var/tmp/to_scwrl_129898320.seq -o /var/tmp/from_scwrl_129898320.pdb > /var/tmp/scwrl_129898320.log sh: /var/tmp/scwrl_129898320.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_129898320.pdb or /var/tmp/from_scwrl_129898320.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_129898320_b.pdb or decoys//var/tmp/from_scwrl_129898320_b.pdb.gz for input Trying /var/tmp/from_scwrl_129898320_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_129898320_b.pdb or /var/tmp/from_scwrl_129898320_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_129898320_a.pdb or decoys//var/tmp/from_scwrl_129898320_a.pdb.gz for input Trying /var/tmp/from_scwrl_129898320_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_129898320_a.pdb or /var/tmp/from_scwrl_129898320_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_129898320.pdb or /var/tmp/from_scwrl_129898320_b.pdb or /var/tmp/from_scwrl_129898320_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 T0317 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_TS4 # request to SCWRL produces command: ulimit -t 147 ; scwrl3 -i /var/tmp/to_scwrl_1998311180.pdb -s /var/tmp/to_scwrl_1998311180.seq -o /var/tmp/from_scwrl_1998311180.pdb > /var/tmp/scwrl_1998311180.log sh: /var/tmp/scwrl_1998311180.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1998311180.pdb or /var/tmp/from_scwrl_1998311180.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1998311180_b.pdb or decoys//var/tmp/from_scwrl_1998311180_b.pdb.gz for input Trying /var/tmp/from_scwrl_1998311180_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1998311180_b.pdb or /var/tmp/from_scwrl_1998311180_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1998311180_a.pdb or decoys//var/tmp/from_scwrl_1998311180_a.pdb.gz for input Trying /var/tmp/from_scwrl_1998311180_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1998311180_a.pdb or /var/tmp/from_scwrl_1998311180_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1998311180.pdb or /var/tmp/from_scwrl_1998311180_b.pdb or /var/tmp/from_scwrl_1998311180_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 T0317 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_TS5 # request to SCWRL produces command: ulimit -t 147 ; scwrl3 -i /var/tmp/to_scwrl_186486401.pdb -s /var/tmp/to_scwrl_186486401.seq -o /var/tmp/from_scwrl_186486401.pdb > /var/tmp/scwrl_186486401.log sh: /var/tmp/scwrl_186486401.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_186486401.pdb or /var/tmp/from_scwrl_186486401.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_186486401_b.pdb or decoys//var/tmp/from_scwrl_186486401_b.pdb.gz for input Trying /var/tmp/from_scwrl_186486401_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_186486401_b.pdb or /var/tmp/from_scwrl_186486401_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_186486401_a.pdb or decoys//var/tmp/from_scwrl_186486401_a.pdb.gz for input Trying /var/tmp/from_scwrl_186486401_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_186486401_a.pdb or /var/tmp/from_scwrl_186486401_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_186486401.pdb or /var/tmp/from_scwrl_186486401_b.pdb or /var/tmp/from_scwrl_186486401_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 154 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS1 # request to SCWRL produces command: ulimit -t 147 ; scwrl3 -i /var/tmp/to_scwrl_249335950.pdb -s /var/tmp/to_scwrl_249335950.seq -o /var/tmp/from_scwrl_249335950.pdb > /var/tmp/scwrl_249335950.log sh: /var/tmp/scwrl_249335950.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_249335950.pdb or /var/tmp/from_scwrl_249335950.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_249335950_b.pdb or decoys//var/tmp/from_scwrl_249335950_b.pdb.gz for input Trying /var/tmp/from_scwrl_249335950_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_249335950_b.pdb or /var/tmp/from_scwrl_249335950_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_249335950_a.pdb or decoys//var/tmp/from_scwrl_249335950_a.pdb.gz for input Trying /var/tmp/from_scwrl_249335950_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_249335950_a.pdb or /var/tmp/from_scwrl_249335950_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_249335950.pdb or /var/tmp/from_scwrl_249335950_b.pdb or /var/tmp/from_scwrl_249335950_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 144 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS2 # request to SCWRL produces command: ulimit -t 147 ; scwrl3 -i /var/tmp/to_scwrl_1309671337.pdb -s /var/tmp/to_scwrl_1309671337.seq -o /var/tmp/from_scwrl_1309671337.pdb > /var/tmp/scwrl_1309671337.log sh: /var/tmp/scwrl_1309671337.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1309671337.pdb or /var/tmp/from_scwrl_1309671337.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1309671337_b.pdb or decoys//var/tmp/from_scwrl_1309671337_b.pdb.gz for input Trying /var/tmp/from_scwrl_1309671337_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1309671337_b.pdb or /var/tmp/from_scwrl_1309671337_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1309671337_a.pdb or decoys//var/tmp/from_scwrl_1309671337_a.pdb.gz for input Trying /var/tmp/from_scwrl_1309671337_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1309671337_a.pdb or /var/tmp/from_scwrl_1309671337_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1309671337.pdb or /var/tmp/from_scwrl_1309671337_b.pdb or /var/tmp/from_scwrl_1309671337_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 147 ; scwrl3 -i /var/tmp/to_scwrl_1464614046.pdb -s /var/tmp/to_scwrl_1464614046.seq -o /var/tmp/from_scwrl_1464614046.pdb > /var/tmp/scwrl_1464614046.log sh: /var/tmp/scwrl_1464614046.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1464614046.pdb or /var/tmp/from_scwrl_1464614046.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1464614046_b.pdb or decoys//var/tmp/from_scwrl_1464614046_b.pdb.gz for input Trying /var/tmp/from_scwrl_1464614046_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1464614046_b.pdb or /var/tmp/from_scwrl_1464614046_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1464614046_a.pdb or decoys//var/tmp/from_scwrl_1464614046_a.pdb.gz for input Trying /var/tmp/from_scwrl_1464614046_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1464614046_a.pdb or /var/tmp/from_scwrl_1464614046_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1464614046.pdb or /var/tmp/from_scwrl_1464614046_b.pdb or /var/tmp/from_scwrl_1464614046_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 133 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS4 # request to SCWRL produces command: ulimit -t 147 ; scwrl3 -i /var/tmp/to_scwrl_213956630.pdb -s /var/tmp/to_scwrl_213956630.seq -o /var/tmp/from_scwrl_213956630.pdb > /var/tmp/scwrl_213956630.log sh: /var/tmp/scwrl_213956630.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_213956630.pdb or /var/tmp/from_scwrl_213956630.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_213956630_b.pdb or decoys//var/tmp/from_scwrl_213956630_b.pdb.gz for input Trying /var/tmp/from_scwrl_213956630_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_213956630_b.pdb or /var/tmp/from_scwrl_213956630_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_213956630_a.pdb or decoys//var/tmp/from_scwrl_213956630_a.pdb.gz for input Trying /var/tmp/from_scwrl_213956630_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_213956630_a.pdb or /var/tmp/from_scwrl_213956630_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_213956630.pdb or /var/tmp/from_scwrl_213956630_b.pdb or /var/tmp/from_scwrl_213956630_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 133 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS5 # request to SCWRL produces command: ulimit -t 147 ; scwrl3 -i /var/tmp/to_scwrl_167158586.pdb -s /var/tmp/to_scwrl_167158586.seq -o /var/tmp/from_scwrl_167158586.pdb > /var/tmp/scwrl_167158586.log sh: /var/tmp/scwrl_167158586.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_167158586.pdb or /var/tmp/from_scwrl_167158586.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_167158586_b.pdb or decoys//var/tmp/from_scwrl_167158586_b.pdb.gz for input Trying /var/tmp/from_scwrl_167158586_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_167158586_b.pdb or /var/tmp/from_scwrl_167158586_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_167158586_a.pdb or decoys//var/tmp/from_scwrl_167158586_a.pdb.gz for input Trying /var/tmp/from_scwrl_167158586_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_167158586_a.pdb or /var/tmp/from_scwrl_167158586_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_167158586.pdb or /var/tmp/from_scwrl_167158586_b.pdb or /var/tmp/from_scwrl_167158586_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 133 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS1 # request to SCWRL produces command: ulimit -t 147 ; scwrl3 -i /var/tmp/to_scwrl_2024332343.pdb -s /var/tmp/to_scwrl_2024332343.seq -o /var/tmp/from_scwrl_2024332343.pdb > /var/tmp/scwrl_2024332343.log sh: /var/tmp/scwrl_2024332343.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_2024332343.pdb or /var/tmp/from_scwrl_2024332343.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2024332343_b.pdb or decoys//var/tmp/from_scwrl_2024332343_b.pdb.gz for input Trying /var/tmp/from_scwrl_2024332343_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_2024332343_b.pdb or /var/tmp/from_scwrl_2024332343_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2024332343_a.pdb or decoys//var/tmp/from_scwrl_2024332343_a.pdb.gz for input Trying /var/tmp/from_scwrl_2024332343_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_2024332343_a.pdb or /var/tmp/from_scwrl_2024332343_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_2024332343.pdb or /var/tmp/from_scwrl_2024332343_b.pdb or /var/tmp/from_scwrl_2024332343_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 132 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS2 # request to SCWRL produces command: ulimit -t 147 ; scwrl3 -i /var/tmp/to_scwrl_316703711.pdb -s /var/tmp/to_scwrl_316703711.seq -o /var/tmp/from_scwrl_316703711.pdb > /var/tmp/scwrl_316703711.log sh: /var/tmp/scwrl_316703711.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_316703711.pdb or /var/tmp/from_scwrl_316703711.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_316703711_b.pdb or decoys//var/tmp/from_scwrl_316703711_b.pdb.gz for input Trying /var/tmp/from_scwrl_316703711_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_316703711_b.pdb or /var/tmp/from_scwrl_316703711_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_316703711_a.pdb or decoys//var/tmp/from_scwrl_316703711_a.pdb.gz for input Trying /var/tmp/from_scwrl_316703711_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_316703711_a.pdb or /var/tmp/from_scwrl_316703711_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_316703711.pdb or /var/tmp/from_scwrl_316703711_b.pdb or /var/tmp/from_scwrl_316703711_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 100 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS3 # request to SCWRL produces command: ulimit -t 147 ; scwrl3 -i /var/tmp/to_scwrl_671724915.pdb -s /var/tmp/to_scwrl_671724915.seq -o /var/tmp/from_scwrl_671724915.pdb > /var/tmp/scwrl_671724915.log sh: /var/tmp/scwrl_671724915.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_671724915.pdb or /var/tmp/from_scwrl_671724915.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_671724915_b.pdb or decoys//var/tmp/from_scwrl_671724915_b.pdb.gz for input Trying /var/tmp/from_scwrl_671724915_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_671724915_b.pdb or /var/tmp/from_scwrl_671724915_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_671724915_a.pdb or decoys//var/tmp/from_scwrl_671724915_a.pdb.gz for input Trying /var/tmp/from_scwrl_671724915_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_671724915_a.pdb or /var/tmp/from_scwrl_671724915_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_671724915.pdb or /var/tmp/from_scwrl_671724915_b.pdb or /var/tmp/from_scwrl_671724915_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 139 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS4 # request to SCWRL produces command: ulimit -t 147 ; scwrl3 -i /var/tmp/to_scwrl_262140716.pdb -s /var/tmp/to_scwrl_262140716.seq -o /var/tmp/from_scwrl_262140716.pdb > /var/tmp/scwrl_262140716.log sh: /var/tmp/scwrl_262140716.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_262140716.pdb or /var/tmp/from_scwrl_262140716.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_262140716_b.pdb or decoys//var/tmp/from_scwrl_262140716_b.pdb.gz for input Trying /var/tmp/from_scwrl_262140716_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_262140716_b.pdb or /var/tmp/from_scwrl_262140716_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_262140716_a.pdb or decoys//var/tmp/from_scwrl_262140716_a.pdb.gz for input Trying /var/tmp/from_scwrl_262140716_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_262140716_a.pdb or /var/tmp/from_scwrl_262140716_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_262140716.pdb or /var/tmp/from_scwrl_262140716_b.pdb or /var/tmp/from_scwrl_262140716_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 129 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS5 # request to SCWRL produces command: ulimit -t 147 ; scwrl3 -i /var/tmp/to_scwrl_1244277147.pdb -s /var/tmp/to_scwrl_1244277147.seq -o /var/tmp/from_scwrl_1244277147.pdb > /var/tmp/scwrl_1244277147.log sh: /var/tmp/scwrl_1244277147.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1244277147.pdb or /var/tmp/from_scwrl_1244277147.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1244277147_b.pdb or decoys//var/tmp/from_scwrl_1244277147_b.pdb.gz for input Trying /var/tmp/from_scwrl_1244277147_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1244277147_b.pdb or /var/tmp/from_scwrl_1244277147_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1244277147_a.pdb or decoys//var/tmp/from_scwrl_1244277147_a.pdb.gz for input Trying /var/tmp/from_scwrl_1244277147_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1244277147_a.pdb or /var/tmp/from_scwrl_1244277147_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1244277147.pdb or /var/tmp/from_scwrl_1244277147_b.pdb or /var/tmp/from_scwrl_1244277147_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 129 # copying to AlignedFragments data structure # naming current conformation BayesHH_TS1 # request to SCWRL produces command: ulimit -t 147 ; scwrl3 -i /var/tmp/to_scwrl_916038072.pdb -s /var/tmp/to_scwrl_916038072.seq -o /var/tmp/from_scwrl_916038072.pdb > /var/tmp/scwrl_916038072.log sh: /var/tmp/scwrl_916038072.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_916038072.pdb or /var/tmp/from_scwrl_916038072.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_916038072_b.pdb or decoys//var/tmp/from_scwrl_916038072_b.pdb.gz for input Trying /var/tmp/from_scwrl_916038072_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_916038072_b.pdb or /var/tmp/from_scwrl_916038072_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_916038072_a.pdb or decoys//var/tmp/from_scwrl_916038072_a.pdb.gz for input Trying /var/tmp/from_scwrl_916038072_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_916038072_a.pdb or /var/tmp/from_scwrl_916038072_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_916038072.pdb or /var/tmp/from_scwrl_916038072_b.pdb or /var/tmp/from_scwrl_916038072_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 44 # copying to AlignedFragments data structure # naming current conformation Bilab-ENABLE_TS1 # request to SCWRL produces command: ulimit -t 147 ; scwrl3 -i /var/tmp/to_scwrl_1064068683.pdb -s /var/tmp/to_scwrl_1064068683.seq -o /var/tmp/from_scwrl_1064068683.pdb > /var/tmp/scwrl_1064068683.log sh: /var/tmp/scwrl_1064068683.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1064068683.pdb or /var/tmp/from_scwrl_1064068683.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1064068683_b.pdb or decoys//var/tmp/from_scwrl_1064068683_b.pdb.gz for input Trying /var/tmp/from_scwrl_1064068683_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1064068683_b.pdb or /var/tmp/from_scwrl_1064068683_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1064068683_a.pdb or decoys//var/tmp/from_scwrl_1064068683_a.pdb.gz for input Trying /var/tmp/from_scwrl_1064068683_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1064068683_a.pdb or /var/tmp/from_scwrl_1064068683_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1064068683.pdb or /var/tmp/from_scwrl_1064068683_b.pdb or /var/tmp/from_scwrl_1064068683_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 51 # copying to AlignedFragments data structure # naming current conformation Bilab-ENABLE_TS2 # request to SCWRL produces command: ulimit -t 147 ; scwrl3 -i /var/tmp/to_scwrl_958441831.pdb -s /var/tmp/to_scwrl_958441831.seq -o /var/tmp/from_scwrl_958441831.pdb > /var/tmp/scwrl_958441831.log sh: /var/tmp/scwrl_958441831.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_958441831.pdb or /var/tmp/from_scwrl_958441831.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_958441831_b.pdb or decoys//var/tmp/from_scwrl_958441831_b.pdb.gz for input Trying /var/tmp/from_scwrl_958441831_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_958441831_b.pdb or /var/tmp/from_scwrl_958441831_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_958441831_a.pdb or decoys//var/tmp/from_scwrl_958441831_a.pdb.gz for input Trying /var/tmp/from_scwrl_958441831_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_958441831_a.pdb or /var/tmp/from_scwrl_958441831_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_958441831.pdb or /var/tmp/from_scwrl_958441831_b.pdb or /var/tmp/from_scwrl_958441831_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 147 ; scwrl3 -i /var/tmp/to_scwrl_1962442899.pdb -s /var/tmp/to_scwrl_1962442899.seq -o /var/tmp/from_scwrl_1962442899.pdb > /var/tmp/scwrl_1962442899.log sh: /var/tmp/scwrl_1962442899.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1962442899.pdb or /var/tmp/from_scwrl_1962442899.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1962442899_b.pdb or decoys//var/tmp/from_scwrl_1962442899_b.pdb.gz for input Trying /var/tmp/from_scwrl_1962442899_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1962442899_b.pdb or /var/tmp/from_scwrl_1962442899_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1962442899_a.pdb or decoys//var/tmp/from_scwrl_1962442899_a.pdb.gz for input Trying /var/tmp/from_scwrl_1962442899_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1962442899_a.pdb or /var/tmp/from_scwrl_1962442899_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1962442899.pdb or /var/tmp/from_scwrl_1962442899_b.pdb or /var/tmp/from_scwrl_1962442899_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 130 # copying to AlignedFragments data structure # naming current conformation Bilab-ENABLE_TS4 # request to SCWRL produces command: ulimit -t 147 ; scwrl3 -i /var/tmp/to_scwrl_494254131.pdb -s /var/tmp/to_scwrl_494254131.seq -o /var/tmp/from_scwrl_494254131.pdb > /var/tmp/scwrl_494254131.log sh: /var/tmp/scwrl_494254131.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_494254131.pdb or /var/tmp/from_scwrl_494254131.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_494254131_b.pdb or decoys//var/tmp/from_scwrl_494254131_b.pdb.gz for input Trying /var/tmp/from_scwrl_494254131_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_494254131_b.pdb or /var/tmp/from_scwrl_494254131_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_494254131_a.pdb or decoys//var/tmp/from_scwrl_494254131_a.pdb.gz for input Trying /var/tmp/from_scwrl_494254131_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_494254131_a.pdb or /var/tmp/from_scwrl_494254131_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_494254131.pdb or /var/tmp/from_scwrl_494254131_b.pdb or /var/tmp/from_scwrl_494254131_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 152 # copying to AlignedFragments data structure # naming current conformation Bilab-ENABLE_TS5 # request to SCWRL produces command: ulimit -t 147 ; scwrl3 -i /var/tmp/to_scwrl_370587847.pdb -s /var/tmp/to_scwrl_370587847.seq -o /var/tmp/from_scwrl_370587847.pdb > /var/tmp/scwrl_370587847.log sh: /var/tmp/scwrl_370587847.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_370587847.pdb or /var/tmp/from_scwrl_370587847.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_370587847_b.pdb or decoys//var/tmp/from_scwrl_370587847_b.pdb.gz for input Trying /var/tmp/from_scwrl_370587847_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_370587847_b.pdb or /var/tmp/from_scwrl_370587847_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_370587847_a.pdb or decoys//var/tmp/from_scwrl_370587847_a.pdb.gz for input Trying /var/tmp/from_scwrl_370587847_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_370587847_a.pdb or /var/tmp/from_scwrl_370587847_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_370587847.pdb or /var/tmp/from_scwrl_370587847_b.pdb or /var/tmp/from_scwrl_370587847_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 132 # copying to AlignedFragments data structure # naming current conformation CIRCLE_TS1 # request to SCWRL produces command: ulimit -t 147 ; scwrl3 -i /var/tmp/to_scwrl_730895477.pdb -s /var/tmp/to_scwrl_730895477.seq -o /var/tmp/from_scwrl_730895477.pdb > /var/tmp/scwrl_730895477.log sh: /var/tmp/scwrl_730895477.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_730895477.pdb or /var/tmp/from_scwrl_730895477.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_730895477_b.pdb or decoys//var/tmp/from_scwrl_730895477_b.pdb.gz for input Trying /var/tmp/from_scwrl_730895477_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_730895477_b.pdb or /var/tmp/from_scwrl_730895477_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_730895477_a.pdb or decoys//var/tmp/from_scwrl_730895477_a.pdb.gz for input Trying /var/tmp/from_scwrl_730895477_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_730895477_a.pdb or /var/tmp/from_scwrl_730895477_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_730895477.pdb or /var/tmp/from_scwrl_730895477_b.pdb or /var/tmp/from_scwrl_730895477_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 T0317 can't currently be optimized by undertaker # naming current conformation CIRCLE_TS2 # request to SCWRL produces command: ulimit -t 147 ; scwrl3 -i /var/tmp/to_scwrl_1503361679.pdb -s /var/tmp/to_scwrl_1503361679.seq -o /var/tmp/from_scwrl_1503361679.pdb > /var/tmp/scwrl_1503361679.log sh: /var/tmp/scwrl_1503361679.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1503361679.pdb or /var/tmp/from_scwrl_1503361679.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1503361679_b.pdb or decoys//var/tmp/from_scwrl_1503361679_b.pdb.gz for input Trying /var/tmp/from_scwrl_1503361679_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1503361679_b.pdb or /var/tmp/from_scwrl_1503361679_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1503361679_a.pdb or decoys//var/tmp/from_scwrl_1503361679_a.pdb.gz for input Trying /var/tmp/from_scwrl_1503361679_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1503361679_a.pdb or /var/tmp/from_scwrl_1503361679_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1503361679.pdb or /var/tmp/from_scwrl_1503361679_b.pdb or /var/tmp/from_scwrl_1503361679_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 161 # copying to AlignedFragments data structure # naming current conformation CIRCLE_TS3 # request to SCWRL produces command: ulimit -t 147 ; scwrl3 -i /var/tmp/to_scwrl_1004017419.pdb -s /var/tmp/to_scwrl_1004017419.seq -o /var/tmp/from_scwrl_1004017419.pdb > /var/tmp/scwrl_1004017419.log sh: /var/tmp/scwrl_1004017419.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1004017419.pdb or /var/tmp/from_scwrl_1004017419.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1004017419_b.pdb or decoys//var/tmp/from_scwrl_1004017419_b.pdb.gz for input Trying /var/tmp/from_scwrl_1004017419_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1004017419_b.pdb or /var/tmp/from_scwrl_1004017419_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1004017419_a.pdb or decoys//var/tmp/from_scwrl_1004017419_a.pdb.gz for input Trying /var/tmp/from_scwrl_1004017419_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1004017419_a.pdb or /var/tmp/from_scwrl_1004017419_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1004017419.pdb or /var/tmp/from_scwrl_1004017419_b.pdb or /var/tmp/from_scwrl_1004017419_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 T0317 can't currently be optimized by undertaker # naming current conformation CIRCLE_TS4 # request to SCWRL produces command: ulimit -t 147 ; scwrl3 -i /var/tmp/to_scwrl_266709285.pdb -s /var/tmp/to_scwrl_266709285.seq -o /var/tmp/from_scwrl_266709285.pdb > /var/tmp/scwrl_266709285.log sh: /var/tmp/scwrl_266709285.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_266709285.pdb or /var/tmp/from_scwrl_266709285.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_266709285_b.pdb or decoys//var/tmp/from_scwrl_266709285_b.pdb.gz for input Trying /var/tmp/from_scwrl_266709285_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_266709285_b.pdb or /var/tmp/from_scwrl_266709285_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_266709285_a.pdb or decoys//var/tmp/from_scwrl_266709285_a.pdb.gz for input Trying /var/tmp/from_scwrl_266709285_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_266709285_a.pdb or /var/tmp/from_scwrl_266709285_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_266709285.pdb or /var/tmp/from_scwrl_266709285_b.pdb or /var/tmp/from_scwrl_266709285_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 T0317 can't currently be optimized by undertaker # naming current conformation CIRCLE_TS5 # request to SCWRL produces command: ulimit -t 147 ; scwrl3 -i /var/tmp/to_scwrl_1909740903.pdb -s /var/tmp/to_scwrl_1909740903.seq -o /var/tmp/from_scwrl_1909740903.pdb > /var/tmp/scwrl_1909740903.log sh: /var/tmp/scwrl_1909740903.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1909740903.pdb or /var/tmp/from_scwrl_1909740903.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1909740903_b.pdb or decoys//var/tmp/from_scwrl_1909740903_b.pdb.gz for input Trying /var/tmp/from_scwrl_1909740903_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1909740903_b.pdb or /var/tmp/from_scwrl_1909740903_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1909740903_a.pdb or decoys//var/tmp/from_scwrl_1909740903_a.pdb.gz for input Trying /var/tmp/from_scwrl_1909740903_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1909740903_a.pdb or /var/tmp/from_scwrl_1909740903_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1909740903.pdb or /var/tmp/from_scwrl_1909740903_b.pdb or /var/tmp/from_scwrl_1909740903_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 T0317 can't currently be optimized by undertaker # naming current conformation CPHmodels_TS1 # request to SCWRL produces command: ulimit -t 147 ; scwrl3 -i /var/tmp/to_scwrl_1192165461.pdb -s /var/tmp/to_scwrl_1192165461.seq -o /var/tmp/from_scwrl_1192165461.pdb > /var/tmp/scwrl_1192165461.log sh: /var/tmp/scwrl_1192165461.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1192165461.pdb or /var/tmp/from_scwrl_1192165461.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1192165461_b.pdb or decoys//var/tmp/from_scwrl_1192165461_b.pdb.gz for input Trying /var/tmp/from_scwrl_1192165461_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1192165461_b.pdb or /var/tmp/from_scwrl_1192165461_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1192165461_a.pdb or decoys//var/tmp/from_scwrl_1192165461_a.pdb.gz for input Trying /var/tmp/from_scwrl_1192165461_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1192165461_a.pdb or /var/tmp/from_scwrl_1192165461_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1192165461.pdb or /var/tmp/from_scwrl_1192165461_b.pdb or /var/tmp/from_scwrl_1192165461_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 T0317 can't currently be optimized by undertaker # naming current conformation CaspIta-FOX_TS1 # request to SCWRL produces command: ulimit -t 147 ; scwrl3 -i /var/tmp/to_scwrl_484270698.pdb -s /var/tmp/to_scwrl_484270698.seq -o /var/tmp/from_scwrl_484270698.pdb > /var/tmp/scwrl_484270698.log sh: /var/tmp/scwrl_484270698.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_484270698.pdb or /var/tmp/from_scwrl_484270698.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_484270698_b.pdb or decoys//var/tmp/from_scwrl_484270698_b.pdb.gz for input Trying /var/tmp/from_scwrl_484270698_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_484270698_b.pdb or /var/tmp/from_scwrl_484270698_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_484270698_a.pdb or decoys//var/tmp/from_scwrl_484270698_a.pdb.gz for input Trying /var/tmp/from_scwrl_484270698_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_484270698_a.pdb or /var/tmp/from_scwrl_484270698_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_484270698.pdb or /var/tmp/from_scwrl_484270698_b.pdb or /var/tmp/from_scwrl_484270698_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 T0317 can't currently be optimized by undertaker # naming current conformation CaspIta-FOX_TS2 # request to SCWRL produces command: ulimit -t 147 ; scwrl3 -i /var/tmp/to_scwrl_1980655874.pdb -s /var/tmp/to_scwrl_1980655874.seq -o /var/tmp/from_scwrl_1980655874.pdb > /var/tmp/scwrl_1980655874.log sh: /var/tmp/scwrl_1980655874.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1980655874.pdb or /var/tmp/from_scwrl_1980655874.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1980655874_b.pdb or decoys//var/tmp/from_scwrl_1980655874_b.pdb.gz for input Trying /var/tmp/from_scwrl_1980655874_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1980655874_b.pdb or /var/tmp/from_scwrl_1980655874_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1980655874_a.pdb or decoys//var/tmp/from_scwrl_1980655874_a.pdb.gz for input Trying /var/tmp/from_scwrl_1980655874_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1980655874_a.pdb or /var/tmp/from_scwrl_1980655874_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1980655874.pdb or /var/tmp/from_scwrl_1980655874_b.pdb or /var/tmp/from_scwrl_1980655874_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 T0317 can't currently be optimized by undertaker # naming current conformation CaspIta-FOX_TS3 # request to SCWRL produces command: ulimit -t 147 ; scwrl3 -i /var/tmp/to_scwrl_844952288.pdb -s /var/tmp/to_scwrl_844952288.seq -o /var/tmp/from_scwrl_844952288.pdb > /var/tmp/scwrl_844952288.log sh: /var/tmp/scwrl_844952288.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_844952288.pdb or /var/tmp/from_scwrl_844952288.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_844952288_b.pdb or decoys//var/tmp/from_scwrl_844952288_b.pdb.gz for input Trying /var/tmp/from_scwrl_844952288_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_844952288_b.pdb or /var/tmp/from_scwrl_844952288_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_844952288_a.pdb or decoys//var/tmp/from_scwrl_844952288_a.pdb.gz for input Trying /var/tmp/from_scwrl_844952288_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_844952288_a.pdb or /var/tmp/from_scwrl_844952288_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_844952288.pdb or /var/tmp/from_scwrl_844952288_b.pdb or /var/tmp/from_scwrl_844952288_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 T0317 can't currently be optimized by undertaker # naming current conformation CaspIta-FOX_TS4 # request to SCWRL produces command: ulimit -t 147 ; scwrl3 -i /var/tmp/to_scwrl_1588112315.pdb -s /var/tmp/to_scwrl_1588112315.seq -o /var/tmp/from_scwrl_1588112315.pdb > /var/tmp/scwrl_1588112315.log sh: /var/tmp/scwrl_1588112315.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1588112315.pdb or /var/tmp/from_scwrl_1588112315.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1588112315_b.pdb or decoys//var/tmp/from_scwrl_1588112315_b.pdb.gz for input Trying /var/tmp/from_scwrl_1588112315_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1588112315_b.pdb or /var/tmp/from_scwrl_1588112315_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1588112315_a.pdb or decoys//var/tmp/from_scwrl_1588112315_a.pdb.gz for input Trying /var/tmp/from_scwrl_1588112315_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1588112315_a.pdb or /var/tmp/from_scwrl_1588112315_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1588112315.pdb or /var/tmp/from_scwrl_1588112315_b.pdb or /var/tmp/from_scwrl_1588112315_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 T0317 can't currently be optimized by undertaker # naming current conformation CaspIta-FOX_TS5 # request to SCWRL produces command: ulimit -t 147 ; scwrl3 -i /var/tmp/to_scwrl_1273300930.pdb -s /var/tmp/to_scwrl_1273300930.seq -o /var/tmp/from_scwrl_1273300930.pdb > /var/tmp/scwrl_1273300930.log sh: /var/tmp/scwrl_1273300930.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1273300930.pdb or /var/tmp/from_scwrl_1273300930.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1273300930_b.pdb or decoys//var/tmp/from_scwrl_1273300930_b.pdb.gz for input Trying /var/tmp/from_scwrl_1273300930_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1273300930_b.pdb or /var/tmp/from_scwrl_1273300930_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1273300930_a.pdb or decoys//var/tmp/from_scwrl_1273300930_a.pdb.gz for input Trying /var/tmp/from_scwrl_1273300930_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1273300930_a.pdb or /var/tmp/from_scwrl_1273300930_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1273300930.pdb or /var/tmp/from_scwrl_1273300930_b.pdb or /var/tmp/from_scwrl_1273300930_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 T0317 can't currently be optimized by undertaker # naming current conformation Distill_TS1 # request to SCWRL produces command: ulimit -t 147 ; scwrl3 -i /var/tmp/to_scwrl_1450279545.pdb -s /var/tmp/to_scwrl_1450279545.seq -o /var/tmp/from_scwrl_1450279545.pdb > /var/tmp/scwrl_1450279545.log sh: /var/tmp/scwrl_1450279545.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1450279545.pdb or /var/tmp/from_scwrl_1450279545.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1450279545_b.pdb or decoys//var/tmp/from_scwrl_1450279545_b.pdb.gz for input Trying /var/tmp/from_scwrl_1450279545_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1450279545_b.pdb or /var/tmp/from_scwrl_1450279545_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1450279545_a.pdb or decoys//var/tmp/from_scwrl_1450279545_a.pdb.gz for input Trying /var/tmp/from_scwrl_1450279545_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1450279545_a.pdb or /var/tmp/from_scwrl_1450279545_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1450279545.pdb or /var/tmp/from_scwrl_1450279545_b.pdb or /var/tmp/from_scwrl_1450279545_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 T0317 can't currently be optimized by undertaker # naming current conformation Distill_TS2 # request to SCWRL produces command: ulimit -t 147 ; scwrl3 -i /var/tmp/to_scwrl_1718010635.pdb -s /var/tmp/to_scwrl_1718010635.seq -o /var/tmp/from_scwrl_1718010635.pdb > /var/tmp/scwrl_1718010635.log sh: /var/tmp/scwrl_1718010635.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1718010635.pdb or /var/tmp/from_scwrl_1718010635.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1718010635_b.pdb or decoys//var/tmp/from_scwrl_1718010635_b.pdb.gz for input Trying /var/tmp/from_scwrl_1718010635_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1718010635_b.pdb or /var/tmp/from_scwrl_1718010635_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1718010635_a.pdb or decoys//var/tmp/from_scwrl_1718010635_a.pdb.gz for input Trying /var/tmp/from_scwrl_1718010635_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1718010635_a.pdb or /var/tmp/from_scwrl_1718010635_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1718010635.pdb or /var/tmp/from_scwrl_1718010635_b.pdb or /var/tmp/from_scwrl_1718010635_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 T0317 can't currently be optimized by undertaker # naming current conformation Distill_TS3 # request to SCWRL produces command: ulimit -t 147 ; scwrl3 -i /var/tmp/to_scwrl_1124128463.pdb -s /var/tmp/to_scwrl_1124128463.seq -o /var/tmp/from_scwrl_1124128463.pdb > /var/tmp/scwrl_1124128463.log sh: /var/tmp/scwrl_1124128463.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1124128463.pdb or /var/tmp/from_scwrl_1124128463.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1124128463_b.pdb or decoys//var/tmp/from_scwrl_1124128463_b.pdb.gz for input Trying /var/tmp/from_scwrl_1124128463_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1124128463_b.pdb or /var/tmp/from_scwrl_1124128463_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1124128463_a.pdb or decoys//var/tmp/from_scwrl_1124128463_a.pdb.gz for input Trying /var/tmp/from_scwrl_1124128463_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1124128463_a.pdb or /var/tmp/from_scwrl_1124128463_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1124128463.pdb or /var/tmp/from_scwrl_1124128463_b.pdb or /var/tmp/from_scwrl_1124128463_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 T0317 can't currently be optimized by undertaker # naming current conformation Distill_TS4 # request to SCWRL produces command: ulimit -t 147 ; scwrl3 -i /var/tmp/to_scwrl_1636765947.pdb -s /var/tmp/to_scwrl_1636765947.seq -o /var/tmp/from_scwrl_1636765947.pdb > /var/tmp/scwrl_1636765947.log sh: /var/tmp/scwrl_1636765947.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1636765947.pdb or /var/tmp/from_scwrl_1636765947.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1636765947_b.pdb or decoys//var/tmp/from_scwrl_1636765947_b.pdb.gz for input Trying /var/tmp/from_scwrl_1636765947_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1636765947_b.pdb or /var/tmp/from_scwrl_1636765947_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1636765947_a.pdb or decoys//var/tmp/from_scwrl_1636765947_a.pdb.gz for input Trying /var/tmp/from_scwrl_1636765947_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1636765947_a.pdb or /var/tmp/from_scwrl_1636765947_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1636765947.pdb or /var/tmp/from_scwrl_1636765947_b.pdb or /var/tmp/from_scwrl_1636765947_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 T0317 can't currently be optimized by undertaker # naming current conformation Distill_TS5 # request to SCWRL produces command: ulimit -t 147 ; scwrl3 -i /var/tmp/to_scwrl_1967346585.pdb -s /var/tmp/to_scwrl_1967346585.seq -o /var/tmp/from_scwrl_1967346585.pdb > /var/tmp/scwrl_1967346585.log sh: /var/tmp/scwrl_1967346585.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1967346585.pdb or /var/tmp/from_scwrl_1967346585.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1967346585_b.pdb or decoys//var/tmp/from_scwrl_1967346585_b.pdb.gz for input Trying /var/tmp/from_scwrl_1967346585_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1967346585_b.pdb or /var/tmp/from_scwrl_1967346585_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1967346585_a.pdb or decoys//var/tmp/from_scwrl_1967346585_a.pdb.gz for input Trying /var/tmp/from_scwrl_1967346585_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1967346585_a.pdb or /var/tmp/from_scwrl_1967346585_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1967346585.pdb or /var/tmp/from_scwrl_1967346585_b.pdb or /var/tmp/from_scwrl_1967346585_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 161 # copying to AlignedFragments data structure # naming current conformation FAMSD_TS1 # request to SCWRL produces command: ulimit -t 147 ; scwrl3 -i /var/tmp/to_scwrl_286316154.pdb -s /var/tmp/to_scwrl_286316154.seq -o /var/tmp/from_scwrl_286316154.pdb > /var/tmp/scwrl_286316154.log sh: /var/tmp/scwrl_286316154.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_286316154.pdb or /var/tmp/from_scwrl_286316154.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_286316154_b.pdb or decoys//var/tmp/from_scwrl_286316154_b.pdb.gz for input Trying /var/tmp/from_scwrl_286316154_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_286316154_b.pdb or /var/tmp/from_scwrl_286316154_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_286316154_a.pdb or decoys//var/tmp/from_scwrl_286316154_a.pdb.gz for input Trying /var/tmp/from_scwrl_286316154_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_286316154_a.pdb or /var/tmp/from_scwrl_286316154_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_286316154.pdb or /var/tmp/from_scwrl_286316154_b.pdb or /var/tmp/from_scwrl_286316154_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 T0317 can't currently be optimized by undertaker # naming current conformation FAMSD_TS2 # request to SCWRL produces command: ulimit -t 147 ; scwrl3 -i /var/tmp/to_scwrl_953896347.pdb -s /var/tmp/to_scwrl_953896347.seq -o /var/tmp/from_scwrl_953896347.pdb > /var/tmp/scwrl_953896347.log sh: /var/tmp/scwrl_953896347.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_953896347.pdb or /var/tmp/from_scwrl_953896347.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_953896347_b.pdb or decoys//var/tmp/from_scwrl_953896347_b.pdb.gz for input Trying /var/tmp/from_scwrl_953896347_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_953896347_b.pdb or /var/tmp/from_scwrl_953896347_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_953896347_a.pdb or decoys//var/tmp/from_scwrl_953896347_a.pdb.gz for input Trying /var/tmp/from_scwrl_953896347_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_953896347_a.pdb or /var/tmp/from_scwrl_953896347_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_953896347.pdb or /var/tmp/from_scwrl_953896347_b.pdb or /var/tmp/from_scwrl_953896347_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 T0317 can't currently be optimized by undertaker # naming current conformation FAMSD_TS3 # request to SCWRL produces command: ulimit -t 147 ; scwrl3 -i /var/tmp/to_scwrl_33819568.pdb -s /var/tmp/to_scwrl_33819568.seq -o /var/tmp/from_scwrl_33819568.pdb > /var/tmp/scwrl_33819568.log sh: /var/tmp/scwrl_33819568.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_33819568.pdb or /var/tmp/from_scwrl_33819568.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_33819568_b.pdb or decoys//var/tmp/from_scwrl_33819568_b.pdb.gz for input Trying /var/tmp/from_scwrl_33819568_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_33819568_b.pdb or /var/tmp/from_scwrl_33819568_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_33819568_a.pdb or decoys//var/tmp/from_scwrl_33819568_a.pdb.gz for input Trying /var/tmp/from_scwrl_33819568_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_33819568_a.pdb or /var/tmp/from_scwrl_33819568_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_33819568.pdb or /var/tmp/from_scwrl_33819568_b.pdb or /var/tmp/from_scwrl_33819568_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 T0317 can't currently be optimized by undertaker # naming current conformation FAMSD_TS4 # request to SCWRL produces command: ulimit -t 147 ; scwrl3 -i /var/tmp/to_scwrl_453474741.pdb -s /var/tmp/to_scwrl_453474741.seq -o /var/tmp/from_scwrl_453474741.pdb > /var/tmp/scwrl_453474741.log sh: /var/tmp/scwrl_453474741.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_453474741.pdb or /var/tmp/from_scwrl_453474741.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_453474741_b.pdb or decoys//var/tmp/from_scwrl_453474741_b.pdb.gz for input Trying /var/tmp/from_scwrl_453474741_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_453474741_b.pdb or /var/tmp/from_scwrl_453474741_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_453474741_a.pdb or decoys//var/tmp/from_scwrl_453474741_a.pdb.gz for input Trying /var/tmp/from_scwrl_453474741_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_453474741_a.pdb or /var/tmp/from_scwrl_453474741_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_453474741.pdb or /var/tmp/from_scwrl_453474741_b.pdb or /var/tmp/from_scwrl_453474741_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 T0317 can't currently be optimized by undertaker # naming current conformation FAMSD_TS5 # request to SCWRL produces command: ulimit -t 147 ; scwrl3 -i /var/tmp/to_scwrl_830745044.pdb -s /var/tmp/to_scwrl_830745044.seq -o /var/tmp/from_scwrl_830745044.pdb > /var/tmp/scwrl_830745044.log sh: /var/tmp/scwrl_830745044.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_830745044.pdb or /var/tmp/from_scwrl_830745044.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_830745044_b.pdb or decoys//var/tmp/from_scwrl_830745044_b.pdb.gz for input Trying /var/tmp/from_scwrl_830745044_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_830745044_b.pdb or /var/tmp/from_scwrl_830745044_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_830745044_a.pdb or decoys//var/tmp/from_scwrl_830745044_a.pdb.gz for input Trying /var/tmp/from_scwrl_830745044_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_830745044_a.pdb or /var/tmp/from_scwrl_830745044_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_830745044.pdb or /var/tmp/from_scwrl_830745044_b.pdb or /var/tmp/from_scwrl_830745044_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 161 # copying to AlignedFragments data structure # naming current conformation FAMS_TS1 # request to SCWRL produces command: ulimit -t 147 ; scwrl3 -i /var/tmp/to_scwrl_350523280.pdb -s /var/tmp/to_scwrl_350523280.seq -o /var/tmp/from_scwrl_350523280.pdb > /var/tmp/scwrl_350523280.log sh: /var/tmp/scwrl_350523280.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_350523280.pdb or /var/tmp/from_scwrl_350523280.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_350523280_b.pdb or decoys//var/tmp/from_scwrl_350523280_b.pdb.gz for input Trying /var/tmp/from_scwrl_350523280_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_350523280_b.pdb or /var/tmp/from_scwrl_350523280_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_350523280_a.pdb or decoys//var/tmp/from_scwrl_350523280_a.pdb.gz for input Trying /var/tmp/from_scwrl_350523280_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_350523280_a.pdb or /var/tmp/from_scwrl_350523280_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_350523280.pdb or /var/tmp/from_scwrl_350523280_b.pdb or /var/tmp/from_scwrl_350523280_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 # Found a chain break before 132 # copying to AlignedFragments data structure # naming current conformation FAMS_TS2 # request to SCWRL produces command: ulimit -t 147 ; scwrl3 -i /var/tmp/to_scwrl_1125199655.pdb -s /var/tmp/to_scwrl_1125199655.seq -o /var/tmp/from_scwrl_1125199655.pdb > /var/tmp/scwrl_1125199655.log sh: /var/tmp/scwrl_1125199655.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1125199655.pdb or /var/tmp/from_scwrl_1125199655.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1125199655_b.pdb or decoys//var/tmp/from_scwrl_1125199655_b.pdb.gz for input Trying /var/tmp/from_scwrl_1125199655_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1125199655_b.pdb or /var/tmp/from_scwrl_1125199655_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1125199655_a.pdb or decoys//var/tmp/from_scwrl_1125199655_a.pdb.gz for input Trying /var/tmp/from_scwrl_1125199655_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1125199655_a.pdb or /var/tmp/from_scwrl_1125199655_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1125199655.pdb or /var/tmp/from_scwrl_1125199655_b.pdb or /var/tmp/from_scwrl_1125199655_a.pdb Error: no new SCWRL conformation added # naming current conformation FAMS_TS2-scwrl # ReadConformPDB reading from PDB file servers/FAMS_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0317 can't currently be optimized by undertaker # naming current conformation FAMS_TS3 # request to SCWRL produces command: ulimit -t 147 ; scwrl3 -i /var/tmp/to_scwrl_1092885759.pdb -s /var/tmp/to_scwrl_1092885759.seq -o /var/tmp/from_scwrl_1092885759.pdb > /var/tmp/scwrl_1092885759.log sh: /var/tmp/scwrl_1092885759.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1092885759.pdb or /var/tmp/from_scwrl_1092885759.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1092885759_b.pdb or decoys//var/tmp/from_scwrl_1092885759_b.pdb.gz for input Trying /var/tmp/from_scwrl_1092885759_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1092885759_b.pdb or /var/tmp/from_scwrl_1092885759_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1092885759_a.pdb or decoys//var/tmp/from_scwrl_1092885759_a.pdb.gz for input Trying /var/tmp/from_scwrl_1092885759_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1092885759_a.pdb or /var/tmp/from_scwrl_1092885759_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1092885759.pdb or /var/tmp/from_scwrl_1092885759_b.pdb or /var/tmp/from_scwrl_1092885759_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 T0317 can't currently be optimized by undertaker # naming current conformation FAMS_TS4 # request to SCWRL produces command: ulimit -t 147 ; scwrl3 -i /var/tmp/to_scwrl_1594800427.pdb -s /var/tmp/to_scwrl_1594800427.seq -o /var/tmp/from_scwrl_1594800427.pdb > /var/tmp/scwrl_1594800427.log sh: /var/tmp/scwrl_1594800427.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1594800427.pdb or /var/tmp/from_scwrl_1594800427.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1594800427_b.pdb or decoys//var/tmp/from_scwrl_1594800427_b.pdb.gz for input Trying /var/tmp/from_scwrl_1594800427_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1594800427_b.pdb or /var/tmp/from_scwrl_1594800427_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1594800427_a.pdb or decoys//var/tmp/from_scwrl_1594800427_a.pdb.gz for input Trying /var/tmp/from_scwrl_1594800427_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1594800427_a.pdb or /var/tmp/from_scwrl_1594800427_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1594800427.pdb or /var/tmp/from_scwrl_1594800427_b.pdb or /var/tmp/from_scwrl_1594800427_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 T0317 can't currently be optimized by undertaker # naming current conformation FAMS_TS5 # request to SCWRL produces command: ulimit -t 147 ; scwrl3 -i /var/tmp/to_scwrl_2041237728.pdb -s /var/tmp/to_scwrl_2041237728.seq -o /var/tmp/from_scwrl_2041237728.pdb > /var/tmp/scwrl_2041237728.log sh: /var/tmp/scwrl_2041237728.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_2041237728.pdb or /var/tmp/from_scwrl_2041237728.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2041237728_b.pdb or decoys//var/tmp/from_scwrl_2041237728_b.pdb.gz for input Trying /var/tmp/from_scwrl_2041237728_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_2041237728_b.pdb or /var/tmp/from_scwrl_2041237728_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2041237728_a.pdb or decoys//var/tmp/from_scwrl_2041237728_a.pdb.gz for input Trying /var/tmp/from_scwrl_2041237728_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_2041237728_a.pdb or /var/tmp/from_scwrl_2041237728_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_2041237728.pdb or /var/tmp/from_scwrl_2041237728_b.pdb or /var/tmp/from_scwrl_2041237728_a.pdb Error: no new SCWRL conformation added # naming current conformation FAMS_TS5-scwrl # ReadConformPDB reading from PDB file servers/FOLDpro_TS1.pdb.gz looking for model 1 # Found a chain break before 156 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS1 # request to SCWRL produces command: ulimit -t 147 ; scwrl3 -i /var/tmp/to_scwrl_9470795.pdb -s /var/tmp/to_scwrl_9470795.seq -o /var/tmp/from_scwrl_9470795.pdb > /var/tmp/scwrl_9470795.log sh: /var/tmp/scwrl_9470795.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_9470795.pdb or /var/tmp/from_scwrl_9470795.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_9470795_b.pdb or decoys//var/tmp/from_scwrl_9470795_b.pdb.gz for input Trying /var/tmp/from_scwrl_9470795_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_9470795_b.pdb or /var/tmp/from_scwrl_9470795_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_9470795_a.pdb or decoys//var/tmp/from_scwrl_9470795_a.pdb.gz for input Trying /var/tmp/from_scwrl_9470795_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_9470795_a.pdb or /var/tmp/from_scwrl_9470795_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_9470795.pdb or /var/tmp/from_scwrl_9470795_b.pdb or /var/tmp/from_scwrl_9470795_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 103 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS2 # request to SCWRL produces command: ulimit -t 147 ; scwrl3 -i /var/tmp/to_scwrl_405758611.pdb -s /var/tmp/to_scwrl_405758611.seq -o /var/tmp/from_scwrl_405758611.pdb > /var/tmp/scwrl_405758611.log sh: /var/tmp/scwrl_405758611.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_405758611.pdb or /var/tmp/from_scwrl_405758611.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_405758611_b.pdb or decoys//var/tmp/from_scwrl_405758611_b.pdb.gz for input Trying /var/tmp/from_scwrl_405758611_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_405758611_b.pdb or /var/tmp/from_scwrl_405758611_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_405758611_a.pdb or decoys//var/tmp/from_scwrl_405758611_a.pdb.gz for input Trying /var/tmp/from_scwrl_405758611_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_405758611_a.pdb or /var/tmp/from_scwrl_405758611_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_405758611.pdb or /var/tmp/from_scwrl_405758611_b.pdb or /var/tmp/from_scwrl_405758611_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 141 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS3 # request to SCWRL produces command: ulimit -t 147 ; scwrl3 -i /var/tmp/to_scwrl_1856196980.pdb -s /var/tmp/to_scwrl_1856196980.seq -o /var/tmp/from_scwrl_1856196980.pdb > /var/tmp/scwrl_1856196980.log sh: /var/tmp/scwrl_1856196980.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1856196980.pdb or /var/tmp/from_scwrl_1856196980.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1856196980_b.pdb or decoys//var/tmp/from_scwrl_1856196980_b.pdb.gz for input Trying /var/tmp/from_scwrl_1856196980_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1856196980_b.pdb or /var/tmp/from_scwrl_1856196980_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1856196980_a.pdb or decoys//var/tmp/from_scwrl_1856196980_a.pdb.gz for input Trying /var/tmp/from_scwrl_1856196980_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1856196980_a.pdb or /var/tmp/from_scwrl_1856196980_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1856196980.pdb or /var/tmp/from_scwrl_1856196980_b.pdb or /var/tmp/from_scwrl_1856196980_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 89 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS4 # request to SCWRL produces command: ulimit -t 147 ; scwrl3 -i /var/tmp/to_scwrl_503724927.pdb -s /var/tmp/to_scwrl_503724927.seq -o /var/tmp/from_scwrl_503724927.pdb > /var/tmp/scwrl_503724927.log sh: /var/tmp/scwrl_503724927.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_503724927.pdb or /var/tmp/from_scwrl_503724927.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_503724927_b.pdb or decoys//var/tmp/from_scwrl_503724927_b.pdb.gz for input Trying /var/tmp/from_scwrl_503724927_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_503724927_b.pdb or /var/tmp/from_scwrl_503724927_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_503724927_a.pdb or decoys//var/tmp/from_scwrl_503724927_a.pdb.gz for input Trying /var/tmp/from_scwrl_503724927_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_503724927_a.pdb or /var/tmp/from_scwrl_503724927_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_503724927.pdb or /var/tmp/from_scwrl_503724927_b.pdb or /var/tmp/from_scwrl_503724927_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 130 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS5 # request to SCWRL produces command: ulimit -t 147 ; scwrl3 -i /var/tmp/to_scwrl_776346459.pdb -s /var/tmp/to_scwrl_776346459.seq -o /var/tmp/from_scwrl_776346459.pdb > /var/tmp/scwrl_776346459.log sh: /var/tmp/scwrl_776346459.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_776346459.pdb or /var/tmp/from_scwrl_776346459.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_776346459_b.pdb or decoys//var/tmp/from_scwrl_776346459_b.pdb.gz for input Trying /var/tmp/from_scwrl_776346459_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_776346459_b.pdb or /var/tmp/from_scwrl_776346459_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_776346459_a.pdb or decoys//var/tmp/from_scwrl_776346459_a.pdb.gz for input Trying /var/tmp/from_scwrl_776346459_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_776346459_a.pdb or /var/tmp/from_scwrl_776346459_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_776346459.pdb or /var/tmp/from_scwrl_776346459_b.pdb or /var/tmp/from_scwrl_776346459_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 # WARNING: incomplete conformation T0317 can't currently be optimized by undertaker # naming current conformation FORTE1_AL1 # request to SCWRL produces command: ulimit -t 147 ; scwrl3 -i /var/tmp/to_scwrl_439608810.pdb -s /var/tmp/to_scwrl_439608810.seq -o /var/tmp/from_scwrl_439608810.pdb > /var/tmp/scwrl_439608810.log sh: /var/tmp/scwrl_439608810.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_439608810.pdb or /var/tmp/from_scwrl_439608810.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_439608810_b.pdb or decoys//var/tmp/from_scwrl_439608810_b.pdb.gz for input Trying /var/tmp/from_scwrl_439608810_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_439608810_b.pdb or /var/tmp/from_scwrl_439608810_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_439608810_a.pdb or decoys//var/tmp/from_scwrl_439608810_a.pdb.gz for input Trying /var/tmp/from_scwrl_439608810_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_439608810_a.pdb or /var/tmp/from_scwrl_439608810_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_439608810.pdb or /var/tmp/from_scwrl_439608810_b.pdb or /var/tmp/from_scwrl_439608810_a.pdb Error: no new SCWRL conformation added # naming current conformation FORTE1_AL1-scwrl # ReadConformPDB reading from PDB file servers/FORTE1_AL2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0317 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FORTE1_AL2 # request to SCWRL produces command: ulimit -t 147 ; scwrl3 -i /var/tmp/to_scwrl_2007086606.pdb -s /var/tmp/to_scwrl_2007086606.seq -o /var/tmp/from_scwrl_2007086606.pdb > /var/tmp/scwrl_2007086606.log sh: /var/tmp/scwrl_2007086606.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_2007086606.pdb or /var/tmp/from_scwrl_2007086606.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2007086606_b.pdb or decoys//var/tmp/from_scwrl_2007086606_b.pdb.gz for input Trying /var/tmp/from_scwrl_2007086606_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_2007086606_b.pdb or /var/tmp/from_scwrl_2007086606_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2007086606_a.pdb or decoys//var/tmp/from_scwrl_2007086606_a.pdb.gz for input Trying /var/tmp/from_scwrl_2007086606_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_2007086606_a.pdb or /var/tmp/from_scwrl_2007086606_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_2007086606.pdb or /var/tmp/from_scwrl_2007086606_b.pdb or /var/tmp/from_scwrl_2007086606_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 T0317 can't currently be optimized by undertaker # naming current conformation FORTE1_AL3 # request to SCWRL produces command: ulimit -t 147 ; scwrl3 -i /var/tmp/to_scwrl_1780363877.pdb -s /var/tmp/to_scwrl_1780363877.seq -o /var/tmp/from_scwrl_1780363877.pdb > /var/tmp/scwrl_1780363877.log sh: /var/tmp/scwrl_1780363877.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1780363877.pdb or /var/tmp/from_scwrl_1780363877.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1780363877_b.pdb or decoys//var/tmp/from_scwrl_1780363877_b.pdb.gz for input Trying /var/tmp/from_scwrl_1780363877_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1780363877_b.pdb or /var/tmp/from_scwrl_1780363877_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1780363877_a.pdb or decoys//var/tmp/from_scwrl_1780363877_a.pdb.gz for input Trying /var/tmp/from_scwrl_1780363877_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1780363877_a.pdb or /var/tmp/from_scwrl_1780363877_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1780363877.pdb or /var/tmp/from_scwrl_1780363877_b.pdb or /var/tmp/from_scwrl_1780363877_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 6, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz Skipped atom 131, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz Skipped atom 287, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz Skipped atom 289, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz Skipped atom 291, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz Skipped atom 293, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz Skipped atom 331, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz Skipped atom 333, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz Skipped atom 335, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz Skipped atom 337, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz Skipped atom 359, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz Skipped atom 361, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz Skipped atom 363, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz Skipped atom 365, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz Skipped atom 367, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz Skipped atom 369, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz Skipped atom 371, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz Skipped atom 373, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz Skipped atom 391, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz Skipped atom 393, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz Skipped atom 395, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz Skipped atom 397, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz Skipped atom 399, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz Skipped atom 401, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz Skipped atom 403, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz Skipped atom 405, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz Skipped atom 467, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz Skipped atom 469, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz Skipped atom 471, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz Skipped atom 473, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz Skipped atom 483, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz Skipped atom 485, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz Skipped atom 487, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz Skipped atom 489, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz Skipped atom 527, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz Skipped atom 529, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz Skipped atom 531, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz Skipped atom 533, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz # WARNING: incomplete conformation T0317 can't currently be optimized by undertaker # naming current conformation FORTE1_AL4 # request to SCWRL produces command: ulimit -t 147 ; scwrl3 -i /var/tmp/to_scwrl_706318095.pdb -s /var/tmp/to_scwrl_706318095.seq -o /var/tmp/from_scwrl_706318095.pdb > /var/tmp/scwrl_706318095.log sh: /var/tmp/scwrl_706318095.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_706318095.pdb or /var/tmp/from_scwrl_706318095.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_706318095_b.pdb or decoys//var/tmp/from_scwrl_706318095_b.pdb.gz for input Trying /var/tmp/from_scwrl_706318095_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_706318095_b.pdb or /var/tmp/from_scwrl_706318095_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_706318095_a.pdb or decoys//var/tmp/from_scwrl_706318095_a.pdb.gz for input Trying /var/tmp/from_scwrl_706318095_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_706318095_a.pdb or /var/tmp/from_scwrl_706318095_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_706318095.pdb or /var/tmp/from_scwrl_706318095_b.pdb or /var/tmp/from_scwrl_706318095_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 T0317 can't currently be optimized by undertaker # naming current conformation FORTE1_AL5 # request to SCWRL produces command: ulimit -t 147 ; scwrl3 -i /var/tmp/to_scwrl_1769343862.pdb -s /var/tmp/to_scwrl_1769343862.seq -o /var/tmp/from_scwrl_1769343862.pdb > /var/tmp/scwrl_1769343862.log sh: /var/tmp/scwrl_1769343862.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1769343862.pdb or /var/tmp/from_scwrl_1769343862.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1769343862_b.pdb or decoys//var/tmp/from_scwrl_1769343862_b.pdb.gz for input Trying /var/tmp/from_scwrl_1769343862_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1769343862_b.pdb or /var/tmp/from_scwrl_1769343862_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1769343862_a.pdb or decoys//var/tmp/from_scwrl_1769343862_a.pdb.gz for input Trying /var/tmp/from_scwrl_1769343862_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1769343862_a.pdb or /var/tmp/from_scwrl_1769343862_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1769343862.pdb or /var/tmp/from_scwrl_1769343862_b.pdb or /var/tmp/from_scwrl_1769343862_a.pdb Error: no new SCWRL conformation added # naming current conformation FORTE1_AL5-scwrl # ReadConformPDB reading from PDB file servers/FORTE2_AL1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0317 can't currently be optimized by undertaker # naming current conformation FORTE2_AL1 # request to SCWRL produces command: ulimit -t 147 ; scwrl3 -i /var/tmp/to_scwrl_825045692.pdb -s /var/tmp/to_scwrl_825045692.seq -o /var/tmp/from_scwrl_825045692.pdb > /var/tmp/scwrl_825045692.log sh: /var/tmp/scwrl_825045692.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_825045692.pdb or /var/tmp/from_scwrl_825045692.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_825045692_b.pdb or decoys//var/tmp/from_scwrl_825045692_b.pdb.gz for input Trying /var/tmp/from_scwrl_825045692_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_825045692_b.pdb or /var/tmp/from_scwrl_825045692_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_825045692_a.pdb or decoys//var/tmp/from_scwrl_825045692_a.pdb.gz for input Trying /var/tmp/from_scwrl_825045692_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_825045692_a.pdb or /var/tmp/from_scwrl_825045692_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_825045692.pdb or /var/tmp/from_scwrl_825045692_b.pdb or /var/tmp/from_scwrl_825045692_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 # WARNING: incomplete conformation T0317 can't currently be optimized by undertaker # naming current conformation FORTE2_AL2 # request to SCWRL produces command: ulimit -t 147 ; scwrl3 -i /var/tmp/to_scwrl_1190588793.pdb -s /var/tmp/to_scwrl_1190588793.seq -o /var/tmp/from_scwrl_1190588793.pdb > /var/tmp/scwrl_1190588793.log sh: /var/tmp/scwrl_1190588793.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1190588793.pdb or /var/tmp/from_scwrl_1190588793.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1190588793_b.pdb or decoys//var/tmp/from_scwrl_1190588793_b.pdb.gz for input Trying /var/tmp/from_scwrl_1190588793_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1190588793_b.pdb or /var/tmp/from_scwrl_1190588793_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1190588793_a.pdb or decoys//var/tmp/from_scwrl_1190588793_a.pdb.gz for input Trying /var/tmp/from_scwrl_1190588793_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1190588793_a.pdb or /var/tmp/from_scwrl_1190588793_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1190588793.pdb or /var/tmp/from_scwrl_1190588793_b.pdb or /var/tmp/from_scwrl_1190588793_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 T0317 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FORTE2_AL3 # request to SCWRL produces command: ulimit -t 147 ; scwrl3 -i /var/tmp/to_scwrl_1602516089.pdb -s /var/tmp/to_scwrl_1602516089.seq -o /var/tmp/from_scwrl_1602516089.pdb > /var/tmp/scwrl_1602516089.log sh: /var/tmp/scwrl_1602516089.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1602516089.pdb or /var/tmp/from_scwrl_1602516089.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1602516089_b.pdb or decoys//var/tmp/from_scwrl_1602516089_b.pdb.gz for input Trying /var/tmp/from_scwrl_1602516089_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1602516089_b.pdb or /var/tmp/from_scwrl_1602516089_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1602516089_a.pdb or decoys//var/tmp/from_scwrl_1602516089_a.pdb.gz for input Trying /var/tmp/from_scwrl_1602516089_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1602516089_a.pdb or /var/tmp/from_scwrl_1602516089_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1602516089.pdb or /var/tmp/from_scwrl_1602516089_b.pdb or /var/tmp/from_scwrl_1602516089_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 T0317 can't currently be optimized by undertaker # naming current conformation FORTE2_AL4 # request to SCWRL produces command: ulimit -t 147 ; scwrl3 -i /var/tmp/to_scwrl_1669997979.pdb -s /var/tmp/to_scwrl_1669997979.seq -o /var/tmp/from_scwrl_1669997979.pdb > /var/tmp/scwrl_1669997979.log sh: /var/tmp/scwrl_1669997979.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1669997979.pdb or /var/tmp/from_scwrl_1669997979.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1669997979_b.pdb or decoys//var/tmp/from_scwrl_1669997979_b.pdb.gz for input Trying /var/tmp/from_scwrl_1669997979_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1669997979_b.pdb or /var/tmp/from_scwrl_1669997979_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1669997979_a.pdb or decoys//var/tmp/from_scwrl_1669997979_a.pdb.gz for input Trying /var/tmp/from_scwrl_1669997979_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1669997979_a.pdb or /var/tmp/from_scwrl_1669997979_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1669997979.pdb or /var/tmp/from_scwrl_1669997979_b.pdb or /var/tmp/from_scwrl_1669997979_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 T0317 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FORTE2_AL5 # request to SCWRL produces command: ulimit -t 147 ; scwrl3 -i /var/tmp/to_scwrl_631217462.pdb -s /var/tmp/to_scwrl_631217462.seq -o /var/tmp/from_scwrl_631217462.pdb > /var/tmp/scwrl_631217462.log sh: /var/tmp/scwrl_631217462.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_631217462.pdb or /var/tmp/from_scwrl_631217462.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_631217462_b.pdb or decoys//var/tmp/from_scwrl_631217462_b.pdb.gz for input Trying /var/tmp/from_scwrl_631217462_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_631217462_b.pdb or /var/tmp/from_scwrl_631217462_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_631217462_a.pdb or decoys//var/tmp/from_scwrl_631217462_a.pdb.gz for input Trying /var/tmp/from_scwrl_631217462_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_631217462_a.pdb or /var/tmp/from_scwrl_631217462_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_631217462.pdb or /var/tmp/from_scwrl_631217462_b.pdb or /var/tmp/from_scwrl_631217462_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 117 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS1 # request to SCWRL produces command: ulimit -t 147 ; scwrl3 -i /var/tmp/to_scwrl_728333374.pdb -s /var/tmp/to_scwrl_728333374.seq -o /var/tmp/from_scwrl_728333374.pdb > /var/tmp/scwrl_728333374.log sh: /var/tmp/scwrl_728333374.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_728333374.pdb or /var/tmp/from_scwrl_728333374.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_728333374_b.pdb or decoys//var/tmp/from_scwrl_728333374_b.pdb.gz for input Trying /var/tmp/from_scwrl_728333374_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_728333374_b.pdb or /var/tmp/from_scwrl_728333374_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_728333374_a.pdb or decoys//var/tmp/from_scwrl_728333374_a.pdb.gz for input Trying /var/tmp/from_scwrl_728333374_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_728333374_a.pdb or /var/tmp/from_scwrl_728333374_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_728333374.pdb or /var/tmp/from_scwrl_728333374_b.pdb or /var/tmp/from_scwrl_728333374_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 162 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS2 # request to SCWRL produces command: ulimit -t 147 ; scwrl3 -i /var/tmp/to_scwrl_972793879.pdb -s /var/tmp/to_scwrl_972793879.seq -o /var/tmp/from_scwrl_972793879.pdb > /var/tmp/scwrl_972793879.log sh: /var/tmp/scwrl_972793879.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_972793879.pdb or /var/tmp/from_scwrl_972793879.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_972793879_b.pdb or decoys//var/tmp/from_scwrl_972793879_b.pdb.gz for input Trying /var/tmp/from_scwrl_972793879_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_972793879_b.pdb or /var/tmp/from_scwrl_972793879_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_972793879_a.pdb or decoys//var/tmp/from_scwrl_972793879_a.pdb.gz for input Trying /var/tmp/from_scwrl_972793879_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_972793879_a.pdb or /var/tmp/from_scwrl_972793879_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_972793879.pdb or /var/tmp/from_scwrl_972793879_b.pdb or /var/tmp/from_scwrl_972793879_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 128 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS3 # request to SCWRL produces command: ulimit -t 147 ; scwrl3 -i /var/tmp/to_scwrl_201744451.pdb -s /var/tmp/to_scwrl_201744451.seq -o /var/tmp/from_scwrl_201744451.pdb > /var/tmp/scwrl_201744451.log sh: /var/tmp/scwrl_201744451.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_201744451.pdb or /var/tmp/from_scwrl_201744451.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_201744451_b.pdb or decoys//var/tmp/from_scwrl_201744451_b.pdb.gz for input Trying /var/tmp/from_scwrl_201744451_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_201744451_b.pdb or /var/tmp/from_scwrl_201744451_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_201744451_a.pdb or decoys//var/tmp/from_scwrl_201744451_a.pdb.gz for input Trying /var/tmp/from_scwrl_201744451_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_201744451_a.pdb or /var/tmp/from_scwrl_201744451_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_201744451.pdb or /var/tmp/from_scwrl_201744451_b.pdb or /var/tmp/from_scwrl_201744451_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 107 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS4 # request to SCWRL produces command: ulimit -t 147 ; scwrl3 -i /var/tmp/to_scwrl_1852461837.pdb -s /var/tmp/to_scwrl_1852461837.seq -o /var/tmp/from_scwrl_1852461837.pdb > /var/tmp/scwrl_1852461837.log sh: /var/tmp/scwrl_1852461837.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1852461837.pdb or /var/tmp/from_scwrl_1852461837.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1852461837_b.pdb or decoys//var/tmp/from_scwrl_1852461837_b.pdb.gz for input Trying /var/tmp/from_scwrl_1852461837_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1852461837_b.pdb or /var/tmp/from_scwrl_1852461837_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1852461837_a.pdb or decoys//var/tmp/from_scwrl_1852461837_a.pdb.gz for input Trying /var/tmp/from_scwrl_1852461837_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1852461837_a.pdb or /var/tmp/from_scwrl_1852461837_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1852461837.pdb or /var/tmp/from_scwrl_1852461837_b.pdb or /var/tmp/from_scwrl_1852461837_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 145 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS5 # request to SCWRL produces command: ulimit -t 147 ; scwrl3 -i /var/tmp/to_scwrl_462076179.pdb -s /var/tmp/to_scwrl_462076179.seq -o /var/tmp/from_scwrl_462076179.pdb > /var/tmp/scwrl_462076179.log sh: /var/tmp/scwrl_462076179.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_462076179.pdb or /var/tmp/from_scwrl_462076179.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_462076179_b.pdb or decoys//var/tmp/from_scwrl_462076179_b.pdb.gz for input Trying /var/tmp/from_scwrl_462076179_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_462076179_b.pdb or /var/tmp/from_scwrl_462076179_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_462076179_a.pdb or decoys//var/tmp/from_scwrl_462076179_a.pdb.gz for input Trying /var/tmp/from_scwrl_462076179_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_462076179_a.pdb or /var/tmp/from_scwrl_462076179_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_462076179.pdb or /var/tmp/from_scwrl_462076179_b.pdb or /var/tmp/from_scwrl_462076179_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 T0317 can't currently be optimized by undertaker # naming current conformation FUGMOD_TS1 # request to SCWRL produces command: ulimit -t 147 ; scwrl3 -i /var/tmp/to_scwrl_21607389.pdb -s /var/tmp/to_scwrl_21607389.seq -o /var/tmp/from_scwrl_21607389.pdb > /var/tmp/scwrl_21607389.log sh: /var/tmp/scwrl_21607389.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_21607389.pdb or /var/tmp/from_scwrl_21607389.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_21607389_b.pdb or decoys//var/tmp/from_scwrl_21607389_b.pdb.gz for input Trying /var/tmp/from_scwrl_21607389_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_21607389_b.pdb or /var/tmp/from_scwrl_21607389_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_21607389_a.pdb or decoys//var/tmp/from_scwrl_21607389_a.pdb.gz for input Trying /var/tmp/from_scwrl_21607389_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_21607389_a.pdb or /var/tmp/from_scwrl_21607389_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_21607389.pdb or /var/tmp/from_scwrl_21607389_b.pdb or /var/tmp/from_scwrl_21607389_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 T0317 can't currently be optimized by undertaker # naming current conformation FUGMOD_TS2 # request to SCWRL produces command: ulimit -t 147 ; scwrl3 -i /var/tmp/to_scwrl_2138777992.pdb -s /var/tmp/to_scwrl_2138777992.seq -o /var/tmp/from_scwrl_2138777992.pdb > /var/tmp/scwrl_2138777992.log sh: /var/tmp/scwrl_2138777992.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_2138777992.pdb or /var/tmp/from_scwrl_2138777992.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2138777992_b.pdb or decoys//var/tmp/from_scwrl_2138777992_b.pdb.gz for input Trying /var/tmp/from_scwrl_2138777992_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_2138777992_b.pdb or /var/tmp/from_scwrl_2138777992_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2138777992_a.pdb or decoys//var/tmp/from_scwrl_2138777992_a.pdb.gz for input Trying /var/tmp/from_scwrl_2138777992_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_2138777992_a.pdb or /var/tmp/from_scwrl_2138777992_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_2138777992.pdb or /var/tmp/from_scwrl_2138777992_b.pdb or /var/tmp/from_scwrl_2138777992_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 # Found a chain break before 130 # copying to AlignedFragments data structure # naming current conformation FUGMOD_TS3 # request to SCWRL produces command: ulimit -t 147 ; scwrl3 -i /var/tmp/to_scwrl_1415972525.pdb -s /var/tmp/to_scwrl_1415972525.seq -o /var/tmp/from_scwrl_1415972525.pdb > /var/tmp/scwrl_1415972525.log sh: /var/tmp/scwrl_1415972525.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1415972525.pdb or /var/tmp/from_scwrl_1415972525.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1415972525_b.pdb or decoys//var/tmp/from_scwrl_1415972525_b.pdb.gz for input Trying /var/tmp/from_scwrl_1415972525_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1415972525_b.pdb or /var/tmp/from_scwrl_1415972525_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1415972525_a.pdb or decoys//var/tmp/from_scwrl_1415972525_a.pdb.gz for input Trying /var/tmp/from_scwrl_1415972525_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1415972525_a.pdb or /var/tmp/from_scwrl_1415972525_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1415972525.pdb or /var/tmp/from_scwrl_1415972525_b.pdb or /var/tmp/from_scwrl_1415972525_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 # WARNING: incomplete conformation T0317 can't currently be optimized by undertaker # naming current conformation FUGMOD_TS4 # request to SCWRL produces command: ulimit -t 147 ; scwrl3 -i /var/tmp/to_scwrl_55426958.pdb -s /var/tmp/to_scwrl_55426958.seq -o /var/tmp/from_scwrl_55426958.pdb > /var/tmp/scwrl_55426958.log sh: /var/tmp/scwrl_55426958.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_55426958.pdb or /var/tmp/from_scwrl_55426958.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_55426958_b.pdb or decoys//var/tmp/from_scwrl_55426958_b.pdb.gz for input Trying /var/tmp/from_scwrl_55426958_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_55426958_b.pdb or /var/tmp/from_scwrl_55426958_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_55426958_a.pdb or decoys//var/tmp/from_scwrl_55426958_a.pdb.gz for input Trying /var/tmp/from_scwrl_55426958_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_55426958_a.pdb or /var/tmp/from_scwrl_55426958_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_55426958.pdb or /var/tmp/from_scwrl_55426958_b.pdb or /var/tmp/from_scwrl_55426958_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 T0317 can't currently be optimized by undertaker # naming current conformation FUGMOD_TS5 # request to SCWRL produces command: ulimit -t 147 ; scwrl3 -i /var/tmp/to_scwrl_444769086.pdb -s /var/tmp/to_scwrl_444769086.seq -o /var/tmp/from_scwrl_444769086.pdb > /var/tmp/scwrl_444769086.log sh: /var/tmp/scwrl_444769086.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_444769086.pdb or /var/tmp/from_scwrl_444769086.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_444769086_b.pdb or decoys//var/tmp/from_scwrl_444769086_b.pdb.gz for input Trying /var/tmp/from_scwrl_444769086_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_444769086_b.pdb or /var/tmp/from_scwrl_444769086_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_444769086_a.pdb or decoys//var/tmp/from_scwrl_444769086_a.pdb.gz for input Trying /var/tmp/from_scwrl_444769086_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_444769086_a.pdb or /var/tmp/from_scwrl_444769086_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_444769086.pdb or /var/tmp/from_scwrl_444769086_b.pdb or /var/tmp/from_scwrl_444769086_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 T0317 can't currently be optimized by undertaker # naming current conformation FUGUE_AL1 # request to SCWRL produces command: ulimit -t 147 ; scwrl3 -i /var/tmp/to_scwrl_99233922.pdb -s /var/tmp/to_scwrl_99233922.seq -o /var/tmp/from_scwrl_99233922.pdb > /var/tmp/scwrl_99233922.log sh: /var/tmp/scwrl_99233922.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_99233922.pdb or /var/tmp/from_scwrl_99233922.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_99233922_b.pdb or decoys//var/tmp/from_scwrl_99233922_b.pdb.gz for input Trying /var/tmp/from_scwrl_99233922_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_99233922_b.pdb or /var/tmp/from_scwrl_99233922_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_99233922_a.pdb or decoys//var/tmp/from_scwrl_99233922_a.pdb.gz for input Trying /var/tmp/from_scwrl_99233922_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_99233922_a.pdb or /var/tmp/from_scwrl_99233922_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_99233922.pdb or /var/tmp/from_scwrl_99233922_b.pdb or /var/tmp/from_scwrl_99233922_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 T0317 can't currently be optimized by undertaker # naming current conformation FUGUE_AL2 # request to SCWRL produces command: ulimit -t 147 ; scwrl3 -i /var/tmp/to_scwrl_405950238.pdb -s /var/tmp/to_scwrl_405950238.seq -o /var/tmp/from_scwrl_405950238.pdb > /var/tmp/scwrl_405950238.log sh: /var/tmp/scwrl_405950238.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_405950238.pdb or /var/tmp/from_scwrl_405950238.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_405950238_b.pdb or decoys//var/tmp/from_scwrl_405950238_b.pdb.gz for input Trying /var/tmp/from_scwrl_405950238_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_405950238_b.pdb or /var/tmp/from_scwrl_405950238_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_405950238_a.pdb or decoys//var/tmp/from_scwrl_405950238_a.pdb.gz for input Trying /var/tmp/from_scwrl_405950238_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_405950238_a.pdb or /var/tmp/from_scwrl_405950238_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_405950238.pdb or /var/tmp/from_scwrl_405950238_b.pdb or /var/tmp/from_scwrl_405950238_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 Skipped atom 150, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL3.pdb.gz Skipped atom 152, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL3.pdb.gz Skipped atom 154, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL3.pdb.gz Skipped atom 156, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL3.pdb.gz Skipped atom 458, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL3.pdb.gz Skipped atom 460, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL3.pdb.gz Skipped atom 462, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL3.pdb.gz Skipped atom 464, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL3.pdb.gz # WARNING: incomplete conformation T0317 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FUGUE_AL3 # request to SCWRL produces command: ulimit -t 147 ; scwrl3 -i /var/tmp/to_scwrl_1569968741.pdb -s /var/tmp/to_scwrl_1569968741.seq -o /var/tmp/from_scwrl_1569968741.pdb > /var/tmp/scwrl_1569968741.log sh: /var/tmp/scwrl_1569968741.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1569968741.pdb or /var/tmp/from_scwrl_1569968741.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1569968741_b.pdb or decoys//var/tmp/from_scwrl_1569968741_b.pdb.gz for input Trying /var/tmp/from_scwrl_1569968741_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1569968741_b.pdb or /var/tmp/from_scwrl_1569968741_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1569968741_a.pdb or decoys//var/tmp/from_scwrl_1569968741_a.pdb.gz for input Trying /var/tmp/from_scwrl_1569968741_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1569968741_a.pdb or /var/tmp/from_scwrl_1569968741_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1569968741.pdb or /var/tmp/from_scwrl_1569968741_b.pdb or /var/tmp/from_scwrl_1569968741_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 T0317 can't currently be optimized by undertaker # naming current conformation FUGUE_AL4 # request to SCWRL produces command: ulimit -t 147 ; scwrl3 -i /var/tmp/to_scwrl_1192119682.pdb -s /var/tmp/to_scwrl_1192119682.seq -o /var/tmp/from_scwrl_1192119682.pdb > /var/tmp/scwrl_1192119682.log sh: /var/tmp/scwrl_1192119682.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1192119682.pdb or /var/tmp/from_scwrl_1192119682.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1192119682_b.pdb or decoys//var/tmp/from_scwrl_1192119682_b.pdb.gz for input Trying /var/tmp/from_scwrl_1192119682_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1192119682_b.pdb or /var/tmp/from_scwrl_1192119682_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1192119682_a.pdb or decoys//var/tmp/from_scwrl_1192119682_a.pdb.gz for input Trying /var/tmp/from_scwrl_1192119682_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1192119682_a.pdb or /var/tmp/from_scwrl_1192119682_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1192119682.pdb or /var/tmp/from_scwrl_1192119682_b.pdb or /var/tmp/from_scwrl_1192119682_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 T0317 can't currently be optimized by undertaker # naming current conformation FUGUE_AL5 # request to SCWRL produces command: ulimit -t 147 ; scwrl3 -i /var/tmp/to_scwrl_2000750665.pdb -s /var/tmp/to_scwrl_2000750665.seq -o /var/tmp/from_scwrl_2000750665.pdb > /var/tmp/scwrl_2000750665.log sh: /var/tmp/scwrl_2000750665.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_2000750665.pdb or /var/tmp/from_scwrl_2000750665.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2000750665_b.pdb or decoys//var/tmp/from_scwrl_2000750665_b.pdb.gz for input Trying /var/tmp/from_scwrl_2000750665_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_2000750665_b.pdb or /var/tmp/from_scwrl_2000750665_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2000750665_a.pdb or decoys//var/tmp/from_scwrl_2000750665_a.pdb.gz for input Trying /var/tmp/from_scwrl_2000750665_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_2000750665_a.pdb or /var/tmp/from_scwrl_2000750665_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_2000750665.pdb or /var/tmp/from_scwrl_2000750665_b.pdb or /var/tmp/from_scwrl_2000750665_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 161 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS1 # request to SCWRL produces command: ulimit -t 147 ; scwrl3 -i /var/tmp/to_scwrl_1463722822.pdb -s /var/tmp/to_scwrl_1463722822.seq -o /var/tmp/from_scwrl_1463722822.pdb > /var/tmp/scwrl_1463722822.log sh: /var/tmp/scwrl_1463722822.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1463722822.pdb or /var/tmp/from_scwrl_1463722822.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1463722822_b.pdb or decoys//var/tmp/from_scwrl_1463722822_b.pdb.gz for input Trying /var/tmp/from_scwrl_1463722822_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1463722822_b.pdb or /var/tmp/from_scwrl_1463722822_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1463722822_a.pdb or decoys//var/tmp/from_scwrl_1463722822_a.pdb.gz for input Trying /var/tmp/from_scwrl_1463722822_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1463722822_a.pdb or /var/tmp/from_scwrl_1463722822_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1463722822.pdb or /var/tmp/from_scwrl_1463722822_b.pdb or /var/tmp/from_scwrl_1463722822_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 161 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS2 # request to SCWRL produces command: ulimit -t 147 ; scwrl3 -i /var/tmp/to_scwrl_1201590477.pdb -s /var/tmp/to_scwrl_1201590477.seq -o /var/tmp/from_scwrl_1201590477.pdb > /var/tmp/scwrl_1201590477.log sh: /var/tmp/scwrl_1201590477.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1201590477.pdb or /var/tmp/from_scwrl_1201590477.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1201590477_b.pdb or decoys//var/tmp/from_scwrl_1201590477_b.pdb.gz for input Trying /var/tmp/from_scwrl_1201590477_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1201590477_b.pdb or /var/tmp/from_scwrl_1201590477_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1201590477_a.pdb or decoys//var/tmp/from_scwrl_1201590477_a.pdb.gz for input Trying /var/tmp/from_scwrl_1201590477_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1201590477_a.pdb or /var/tmp/from_scwrl_1201590477_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1201590477.pdb or /var/tmp/from_scwrl_1201590477_b.pdb or /var/tmp/from_scwrl_1201590477_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 161 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS3 # request to SCWRL produces command: ulimit -t 147 ; scwrl3 -i /var/tmp/to_scwrl_259025630.pdb -s /var/tmp/to_scwrl_259025630.seq -o /var/tmp/from_scwrl_259025630.pdb > /var/tmp/scwrl_259025630.log sh: /var/tmp/scwrl_259025630.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_259025630.pdb or /var/tmp/from_scwrl_259025630.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_259025630_b.pdb or decoys//var/tmp/from_scwrl_259025630_b.pdb.gz for input Trying /var/tmp/from_scwrl_259025630_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_259025630_b.pdb or /var/tmp/from_scwrl_259025630_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_259025630_a.pdb or decoys//var/tmp/from_scwrl_259025630_a.pdb.gz for input Trying /var/tmp/from_scwrl_259025630_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_259025630_a.pdb or /var/tmp/from_scwrl_259025630_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_259025630.pdb or /var/tmp/from_scwrl_259025630_b.pdb or /var/tmp/from_scwrl_259025630_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 158 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS4 # request to SCWRL produces command: ulimit -t 147 ; scwrl3 -i /var/tmp/to_scwrl_1172436155.pdb -s /var/tmp/to_scwrl_1172436155.seq -o /var/tmp/from_scwrl_1172436155.pdb > /var/tmp/scwrl_1172436155.log sh: /var/tmp/scwrl_1172436155.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1172436155.pdb or /var/tmp/from_scwrl_1172436155.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1172436155_b.pdb or decoys//var/tmp/from_scwrl_1172436155_b.pdb.gz for input Trying /var/tmp/from_scwrl_1172436155_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1172436155_b.pdb or /var/tmp/from_scwrl_1172436155_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1172436155_a.pdb or decoys//var/tmp/from_scwrl_1172436155_a.pdb.gz for input Trying /var/tmp/from_scwrl_1172436155_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1172436155_a.pdb or /var/tmp/from_scwrl_1172436155_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1172436155.pdb or /var/tmp/from_scwrl_1172436155_b.pdb or /var/tmp/from_scwrl_1172436155_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 161 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS5 # request to SCWRL produces command: ulimit -t 147 ; scwrl3 -i /var/tmp/to_scwrl_1705315404.pdb -s /var/tmp/to_scwrl_1705315404.seq -o /var/tmp/from_scwrl_1705315404.pdb > /var/tmp/scwrl_1705315404.log sh: /var/tmp/scwrl_1705315404.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1705315404.pdb or /var/tmp/from_scwrl_1705315404.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1705315404_b.pdb or decoys//var/tmp/from_scwrl_1705315404_b.pdb.gz for input Trying /var/tmp/from_scwrl_1705315404_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1705315404_b.pdb or /var/tmp/from_scwrl_1705315404_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1705315404_a.pdb or decoys//var/tmp/from_scwrl_1705315404_a.pdb.gz for input Trying /var/tmp/from_scwrl_1705315404_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1705315404_a.pdb or /var/tmp/from_scwrl_1705315404_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1705315404.pdb or /var/tmp/from_scwrl_1705315404_b.pdb or /var/tmp/from_scwrl_1705315404_a.pdb Error: no new SCWRL conformation added # naming current conformation FUNCTION_TS5-scwrl # ReadConformPDB reading from PDB file servers/GeneSilicoMetaServer_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0317 can't currently be optimized by undertaker # naming current conformation GeneSilicoMetaServer_TS1 # request to SCWRL produces command: ulimit -t 147 ; scwrl3 -i /var/tmp/to_scwrl_1035372089.pdb -s /var/tmp/to_scwrl_1035372089.seq -o /var/tmp/from_scwrl_1035372089.pdb > /var/tmp/scwrl_1035372089.log sh: /var/tmp/scwrl_1035372089.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1035372089.pdb or /var/tmp/from_scwrl_1035372089.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1035372089_b.pdb or decoys//var/tmp/from_scwrl_1035372089_b.pdb.gz for input Trying /var/tmp/from_scwrl_1035372089_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1035372089_b.pdb or /var/tmp/from_scwrl_1035372089_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1035372089_a.pdb or decoys//var/tmp/from_scwrl_1035372089_a.pdb.gz for input Trying /var/tmp/from_scwrl_1035372089_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1035372089_a.pdb or /var/tmp/from_scwrl_1035372089_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1035372089.pdb or /var/tmp/from_scwrl_1035372089_b.pdb or /var/tmp/from_scwrl_1035372089_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 T0317 can't currently be optimized by undertaker # naming current conformation GeneSilicoMetaServer_TS2 # request to SCWRL produces command: ulimit -t 147 ; scwrl3 -i /var/tmp/to_scwrl_1612044965.pdb -s /var/tmp/to_scwrl_1612044965.seq -o /var/tmp/from_scwrl_1612044965.pdb > /var/tmp/scwrl_1612044965.log sh: /var/tmp/scwrl_1612044965.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1612044965.pdb or /var/tmp/from_scwrl_1612044965.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1612044965_b.pdb or decoys//var/tmp/from_scwrl_1612044965_b.pdb.gz for input Trying /var/tmp/from_scwrl_1612044965_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1612044965_b.pdb or /var/tmp/from_scwrl_1612044965_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1612044965_a.pdb or decoys//var/tmp/from_scwrl_1612044965_a.pdb.gz for input Trying /var/tmp/from_scwrl_1612044965_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1612044965_a.pdb or /var/tmp/from_scwrl_1612044965_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1612044965.pdb or /var/tmp/from_scwrl_1612044965_b.pdb or /var/tmp/from_scwrl_1612044965_a.pdb Error: no new SCWRL conformation added # naming current conformation GeneSilicoMetaServer_TS2-scwrl # ReadConformPDB reading from PDB file servers/GeneSilicoMetaServer_TS3.pdb.gz looking for model 1 # Found a chain break before 148 # copying to AlignedFragments data structure # naming current conformation GeneSilicoMetaServer_TS3 # request to SCWRL produces command: ulimit -t 147 ; scwrl3 -i /var/tmp/to_scwrl_1564918364.pdb -s /var/tmp/to_scwrl_1564918364.seq -o /var/tmp/from_scwrl_1564918364.pdb > /var/tmp/scwrl_1564918364.log sh: /var/tmp/scwrl_1564918364.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1564918364.pdb or /var/tmp/from_scwrl_1564918364.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1564918364_b.pdb or decoys//var/tmp/from_scwrl_1564918364_b.pdb.gz for input Trying /var/tmp/from_scwrl_1564918364_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1564918364_b.pdb or /var/tmp/from_scwrl_1564918364_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1564918364_a.pdb or decoys//var/tmp/from_scwrl_1564918364_a.pdb.gz for input Trying /var/tmp/from_scwrl_1564918364_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1564918364_a.pdb or /var/tmp/from_scwrl_1564918364_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1564918364.pdb or /var/tmp/from_scwrl_1564918364_b.pdb or /var/tmp/from_scwrl_1564918364_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 # Found a chain break before 152 # copying to AlignedFragments data structure # naming current conformation GeneSilicoMetaServer_TS4 # request to SCWRL produces command: ulimit -t 147 ; scwrl3 -i /var/tmp/to_scwrl_668252319.pdb -s /var/tmp/to_scwrl_668252319.seq -o /var/tmp/from_scwrl_668252319.pdb > /var/tmp/scwrl_668252319.log sh: /var/tmp/scwrl_668252319.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_668252319.pdb or /var/tmp/from_scwrl_668252319.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_668252319_b.pdb or decoys//var/tmp/from_scwrl_668252319_b.pdb.gz for input Trying /var/tmp/from_scwrl_668252319_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_668252319_b.pdb or /var/tmp/from_scwrl_668252319_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_668252319_a.pdb or decoys//var/tmp/from_scwrl_668252319_a.pdb.gz for input Trying /var/tmp/from_scwrl_668252319_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_668252319_a.pdb or /var/tmp/from_scwrl_668252319_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_668252319.pdb or /var/tmp/from_scwrl_668252319_b.pdb or /var/tmp/from_scwrl_668252319_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 # WARNING: incomplete conformation T0317 can't currently be optimized by undertaker # naming current conformation GeneSilicoMetaServer_TS5 # request to SCWRL produces command: ulimit -t 147 ; scwrl3 -i /var/tmp/to_scwrl_170879414.pdb -s /var/tmp/to_scwrl_170879414.seq -o /var/tmp/from_scwrl_170879414.pdb > /var/tmp/scwrl_170879414.log sh: /var/tmp/scwrl_170879414.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_170879414.pdb or /var/tmp/from_scwrl_170879414.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_170879414_b.pdb or decoys//var/tmp/from_scwrl_170879414_b.pdb.gz for input Trying /var/tmp/from_scwrl_170879414_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_170879414_b.pdb or /var/tmp/from_scwrl_170879414_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_170879414_a.pdb or decoys//var/tmp/from_scwrl_170879414_a.pdb.gz for input Trying /var/tmp/from_scwrl_170879414_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_170879414_a.pdb or /var/tmp/from_scwrl_170879414_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_170879414.pdb or /var/tmp/from_scwrl_170879414_b.pdb or /var/tmp/from_scwrl_170879414_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 48 # copying to AlignedFragments data structure # naming current conformation HHpred1_TS1 # request to SCWRL produces command: ulimit -t 147 ; scwrl3 -i /var/tmp/to_scwrl_1186778579.pdb -s /var/tmp/to_scwrl_1186778579.seq -o /var/tmp/from_scwrl_1186778579.pdb > /var/tmp/scwrl_1186778579.log sh: /var/tmp/scwrl_1186778579.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1186778579.pdb or /var/tmp/from_scwrl_1186778579.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1186778579_b.pdb or decoys//var/tmp/from_scwrl_1186778579_b.pdb.gz for input Trying /var/tmp/from_scwrl_1186778579_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1186778579_b.pdb or /var/tmp/from_scwrl_1186778579_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1186778579_a.pdb or decoys//var/tmp/from_scwrl_1186778579_a.pdb.gz for input Trying /var/tmp/from_scwrl_1186778579_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1186778579_a.pdb or /var/tmp/from_scwrl_1186778579_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1186778579.pdb or /var/tmp/from_scwrl_1186778579_b.pdb or /var/tmp/from_scwrl_1186778579_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 151 # copying to AlignedFragments data structure # naming current conformation HHpred2_TS1 # request to SCWRL produces command: ulimit -t 147 ; scwrl3 -i /var/tmp/to_scwrl_1493298010.pdb -s /var/tmp/to_scwrl_1493298010.seq -o /var/tmp/from_scwrl_1493298010.pdb > /var/tmp/scwrl_1493298010.log sh: /var/tmp/scwrl_1493298010.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1493298010.pdb or /var/tmp/from_scwrl_1493298010.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1493298010_b.pdb or decoys//var/tmp/from_scwrl_1493298010_b.pdb.gz for input Trying /var/tmp/from_scwrl_1493298010_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1493298010_b.pdb or /var/tmp/from_scwrl_1493298010_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1493298010_a.pdb or decoys//var/tmp/from_scwrl_1493298010_a.pdb.gz for input Trying /var/tmp/from_scwrl_1493298010_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1493298010_a.pdb or /var/tmp/from_scwrl_1493298010_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1493298010.pdb or /var/tmp/from_scwrl_1493298010_b.pdb or /var/tmp/from_scwrl_1493298010_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 151 # copying to AlignedFragments data structure # naming current conformation HHpred3_TS1 # request to SCWRL produces command: ulimit -t 147 ; scwrl3 -i /var/tmp/to_scwrl_1361468207.pdb -s /var/tmp/to_scwrl_1361468207.seq -o /var/tmp/from_scwrl_1361468207.pdb > /var/tmp/scwrl_1361468207.log sh: /var/tmp/scwrl_1361468207.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1361468207.pdb or /var/tmp/from_scwrl_1361468207.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1361468207_b.pdb or decoys//var/tmp/from_scwrl_1361468207_b.pdb.gz for input Trying /var/tmp/from_scwrl_1361468207_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1361468207_b.pdb or /var/tmp/from_scwrl_1361468207_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1361468207_a.pdb or decoys//var/tmp/from_scwrl_1361468207_a.pdb.gz for input Trying /var/tmp/from_scwrl_1361468207_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1361468207_a.pdb or /var/tmp/from_scwrl_1361468207_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1361468207.pdb or /var/tmp/from_scwrl_1361468207_b.pdb or /var/tmp/from_scwrl_1361468207_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 T0317 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS1 # request to SCWRL produces command: ulimit -t 147 ; scwrl3 -i /var/tmp/to_scwrl_641811023.pdb -s /var/tmp/to_scwrl_641811023.seq -o /var/tmp/from_scwrl_641811023.pdb > /var/tmp/scwrl_641811023.log sh: /var/tmp/scwrl_641811023.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_641811023.pdb or /var/tmp/from_scwrl_641811023.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_641811023_b.pdb or decoys//var/tmp/from_scwrl_641811023_b.pdb.gz for input Trying /var/tmp/from_scwrl_641811023_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_641811023_b.pdb or /var/tmp/from_scwrl_641811023_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_641811023_a.pdb or decoys//var/tmp/from_scwrl_641811023_a.pdb.gz for input Trying /var/tmp/from_scwrl_641811023_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_641811023_a.pdb or /var/tmp/from_scwrl_641811023_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_641811023.pdb or /var/tmp/from_scwrl_641811023_b.pdb or /var/tmp/from_scwrl_641811023_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 T0317 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS2 # request to SCWRL produces command: ulimit -t 147 ; scwrl3 -i /var/tmp/to_scwrl_1015812344.pdb -s /var/tmp/to_scwrl_1015812344.seq -o /var/tmp/from_scwrl_1015812344.pdb > /var/tmp/scwrl_1015812344.log sh: /var/tmp/scwrl_1015812344.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1015812344.pdb or /var/tmp/from_scwrl_1015812344.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1015812344_b.pdb or decoys//var/tmp/from_scwrl_1015812344_b.pdb.gz for input Trying /var/tmp/from_scwrl_1015812344_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1015812344_b.pdb or /var/tmp/from_scwrl_1015812344_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1015812344_a.pdb or decoys//var/tmp/from_scwrl_1015812344_a.pdb.gz for input Trying /var/tmp/from_scwrl_1015812344_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1015812344_a.pdb or /var/tmp/from_scwrl_1015812344_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1015812344.pdb or /var/tmp/from_scwrl_1015812344_b.pdb or /var/tmp/from_scwrl_1015812344_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 T0317 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS3 # request to SCWRL produces command: ulimit -t 147 ; scwrl3 -i /var/tmp/to_scwrl_1992685669.pdb -s /var/tmp/to_scwrl_1992685669.seq -o /var/tmp/from_scwrl_1992685669.pdb > /var/tmp/scwrl_1992685669.log sh: /var/tmp/scwrl_1992685669.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1992685669.pdb or /var/tmp/from_scwrl_1992685669.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1992685669_b.pdb or decoys//var/tmp/from_scwrl_1992685669_b.pdb.gz for input Trying /var/tmp/from_scwrl_1992685669_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1992685669_b.pdb or /var/tmp/from_scwrl_1992685669_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1992685669_a.pdb or decoys//var/tmp/from_scwrl_1992685669_a.pdb.gz for input Trying /var/tmp/from_scwrl_1992685669_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1992685669_a.pdb or /var/tmp/from_scwrl_1992685669_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1992685669.pdb or /var/tmp/from_scwrl_1992685669_b.pdb or /var/tmp/from_scwrl_1992685669_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 T0317 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS4 # request to SCWRL produces command: ulimit -t 147 ; scwrl3 -i /var/tmp/to_scwrl_1370144396.pdb -s /var/tmp/to_scwrl_1370144396.seq -o /var/tmp/from_scwrl_1370144396.pdb > /var/tmp/scwrl_1370144396.log sh: /var/tmp/scwrl_1370144396.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1370144396.pdb or /var/tmp/from_scwrl_1370144396.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1370144396_b.pdb or decoys//var/tmp/from_scwrl_1370144396_b.pdb.gz for input Trying /var/tmp/from_scwrl_1370144396_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1370144396_b.pdb or /var/tmp/from_scwrl_1370144396_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1370144396_a.pdb or decoys//var/tmp/from_scwrl_1370144396_a.pdb.gz for input Trying /var/tmp/from_scwrl_1370144396_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1370144396_a.pdb or /var/tmp/from_scwrl_1370144396_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1370144396.pdb or /var/tmp/from_scwrl_1370144396_b.pdb or /var/tmp/from_scwrl_1370144396_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 T0317 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS5 # request to SCWRL produces command: ulimit -t 147 ; scwrl3 -i /var/tmp/to_scwrl_1988606222.pdb -s /var/tmp/to_scwrl_1988606222.seq -o /var/tmp/from_scwrl_1988606222.pdb > /var/tmp/scwrl_1988606222.log sh: /var/tmp/scwrl_1988606222.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1988606222.pdb or /var/tmp/from_scwrl_1988606222.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1988606222_b.pdb or decoys//var/tmp/from_scwrl_1988606222_b.pdb.gz for input Trying /var/tmp/from_scwrl_1988606222_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1988606222_b.pdb or /var/tmp/from_scwrl_1988606222_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1988606222_a.pdb or decoys//var/tmp/from_scwrl_1988606222_a.pdb.gz for input Trying /var/tmp/from_scwrl_1988606222_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1988606222_a.pdb or /var/tmp/from_scwrl_1988606222_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1988606222.pdb or /var/tmp/from_scwrl_1988606222_b.pdb or /var/tmp/from_scwrl_1988606222_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 T0317 can't currently be optimized by undertaker # naming current conformation LOOPP_TS1 # request to SCWRL produces command: ulimit -t 147 ; scwrl3 -i /var/tmp/to_scwrl_46946473.pdb -s /var/tmp/to_scwrl_46946473.seq -o /var/tmp/from_scwrl_46946473.pdb > /var/tmp/scwrl_46946473.log sh: /var/tmp/scwrl_46946473.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_46946473.pdb or /var/tmp/from_scwrl_46946473.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_46946473_b.pdb or decoys//var/tmp/from_scwrl_46946473_b.pdb.gz for input Trying /var/tmp/from_scwrl_46946473_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_46946473_b.pdb or /var/tmp/from_scwrl_46946473_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_46946473_a.pdb or decoys//var/tmp/from_scwrl_46946473_a.pdb.gz for input Trying /var/tmp/from_scwrl_46946473_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_46946473_a.pdb or /var/tmp/from_scwrl_46946473_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_46946473.pdb or /var/tmp/from_scwrl_46946473_b.pdb or /var/tmp/from_scwrl_46946473_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 T0317 can't currently be optimized by undertaker # naming current conformation LOOPP_TS2 # request to SCWRL produces command: ulimit -t 147 ; scwrl3 -i /var/tmp/to_scwrl_1075122586.pdb -s /var/tmp/to_scwrl_1075122586.seq -o /var/tmp/from_scwrl_1075122586.pdb > /var/tmp/scwrl_1075122586.log sh: /var/tmp/scwrl_1075122586.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1075122586.pdb or /var/tmp/from_scwrl_1075122586.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1075122586_b.pdb or decoys//var/tmp/from_scwrl_1075122586_b.pdb.gz for input Trying /var/tmp/from_scwrl_1075122586_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1075122586_b.pdb or /var/tmp/from_scwrl_1075122586_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1075122586_a.pdb or decoys//var/tmp/from_scwrl_1075122586_a.pdb.gz for input Trying /var/tmp/from_scwrl_1075122586_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1075122586_a.pdb or /var/tmp/from_scwrl_1075122586_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1075122586.pdb or /var/tmp/from_scwrl_1075122586_b.pdb or /var/tmp/from_scwrl_1075122586_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 T0317 can't currently be optimized by undertaker # naming current conformation LOOPP_TS3 # request to SCWRL produces command: ulimit -t 147 ; scwrl3 -i /var/tmp/to_scwrl_303198754.pdb -s /var/tmp/to_scwrl_303198754.seq -o /var/tmp/from_scwrl_303198754.pdb > /var/tmp/scwrl_303198754.log sh: /var/tmp/scwrl_303198754.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_303198754.pdb or /var/tmp/from_scwrl_303198754.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_303198754_b.pdb or decoys//var/tmp/from_scwrl_303198754_b.pdb.gz for input Trying /var/tmp/from_scwrl_303198754_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_303198754_b.pdb or /var/tmp/from_scwrl_303198754_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_303198754_a.pdb or decoys//var/tmp/from_scwrl_303198754_a.pdb.gz for input Trying /var/tmp/from_scwrl_303198754_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_303198754_a.pdb or /var/tmp/from_scwrl_303198754_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_303198754.pdb or /var/tmp/from_scwrl_303198754_b.pdb or /var/tmp/from_scwrl_303198754_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 T0317 can't currently be optimized by undertaker # naming current conformation LOOPP_TS4 # request to SCWRL produces command: ulimit -t 147 ; scwrl3 -i /var/tmp/to_scwrl_68553863.pdb -s /var/tmp/to_scwrl_68553863.seq -o /var/tmp/from_scwrl_68553863.pdb > /var/tmp/scwrl_68553863.log sh: /var/tmp/scwrl_68553863.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_68553863.pdb or /var/tmp/from_scwrl_68553863.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_68553863_b.pdb or decoys//var/tmp/from_scwrl_68553863_b.pdb.gz for input Trying /var/tmp/from_scwrl_68553863_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_68553863_b.pdb or /var/tmp/from_scwrl_68553863_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_68553863_a.pdb or decoys//var/tmp/from_scwrl_68553863_a.pdb.gz for input Trying /var/tmp/from_scwrl_68553863_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_68553863_a.pdb or /var/tmp/from_scwrl_68553863_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_68553863.pdb or /var/tmp/from_scwrl_68553863_b.pdb or /var/tmp/from_scwrl_68553863_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 T0317 can't currently be optimized by undertaker # naming current conformation LOOPP_TS5 # request to SCWRL produces command: ulimit -t 147 ; scwrl3 -i /var/tmp/to_scwrl_1066416932.pdb -s /var/tmp/to_scwrl_1066416932.seq -o /var/tmp/from_scwrl_1066416932.pdb > /var/tmp/scwrl_1066416932.log sh: /var/tmp/scwrl_1066416932.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1066416932.pdb or /var/tmp/from_scwrl_1066416932.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1066416932_b.pdb or decoys//var/tmp/from_scwrl_1066416932_b.pdb.gz for input Trying /var/tmp/from_scwrl_1066416932_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1066416932_b.pdb or /var/tmp/from_scwrl_1066416932_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1066416932_a.pdb or decoys//var/tmp/from_scwrl_1066416932_a.pdb.gz for input Trying /var/tmp/from_scwrl_1066416932_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1066416932_a.pdb or /var/tmp/from_scwrl_1066416932_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1066416932.pdb or /var/tmp/from_scwrl_1066416932_b.pdb or /var/tmp/from_scwrl_1066416932_a.pdb Error: no new SCWRL conformation added # naming current conformation LOOPP_TS5-scwrl # ReadConformPDB reading from PDB file servers/Ma-OPUS-server_TS1.pdb.gz looking for model 1 # Found a chain break before 49 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS1 # request to SCWRL produces command: ulimit -t 147 ; scwrl3 -i /var/tmp/to_scwrl_1719171279.pdb -s /var/tmp/to_scwrl_1719171279.seq -o /var/tmp/from_scwrl_1719171279.pdb > /var/tmp/scwrl_1719171279.log sh: /var/tmp/scwrl_1719171279.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1719171279.pdb or /var/tmp/from_scwrl_1719171279.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1719171279_b.pdb or decoys//var/tmp/from_scwrl_1719171279_b.pdb.gz for input Trying /var/tmp/from_scwrl_1719171279_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1719171279_b.pdb or /var/tmp/from_scwrl_1719171279_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1719171279_a.pdb or decoys//var/tmp/from_scwrl_1719171279_a.pdb.gz for input Trying /var/tmp/from_scwrl_1719171279_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1719171279_a.pdb or /var/tmp/from_scwrl_1719171279_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1719171279.pdb or /var/tmp/from_scwrl_1719171279_b.pdb or /var/tmp/from_scwrl_1719171279_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 152 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS2 # request to SCWRL produces command: ulimit -t 147 ; scwrl3 -i /var/tmp/to_scwrl_123980821.pdb -s /var/tmp/to_scwrl_123980821.seq -o /var/tmp/from_scwrl_123980821.pdb > /var/tmp/scwrl_123980821.log sh: /var/tmp/scwrl_123980821.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_123980821.pdb or /var/tmp/from_scwrl_123980821.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_123980821_b.pdb or decoys//var/tmp/from_scwrl_123980821_b.pdb.gz for input Trying /var/tmp/from_scwrl_123980821_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_123980821_b.pdb or /var/tmp/from_scwrl_123980821_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_123980821_a.pdb or decoys//var/tmp/from_scwrl_123980821_a.pdb.gz for input Trying /var/tmp/from_scwrl_123980821_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_123980821_a.pdb or /var/tmp/from_scwrl_123980821_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_123980821.pdb or /var/tmp/from_scwrl_123980821_b.pdb or /var/tmp/from_scwrl_123980821_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 # naming current conformation Ma-OPUS-server_TS3 # request to SCWRL produces command: ulimit -t 147 ; scwrl3 -i /var/tmp/to_scwrl_1511186017.pdb -s /var/tmp/to_scwrl_1511186017.seq -o /var/tmp/from_scwrl_1511186017.pdb > /var/tmp/scwrl_1511186017.log sh: /var/tmp/scwrl_1511186017.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1511186017.pdb or /var/tmp/from_scwrl_1511186017.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1511186017_b.pdb or decoys//var/tmp/from_scwrl_1511186017_b.pdb.gz for input Trying /var/tmp/from_scwrl_1511186017_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1511186017_b.pdb or /var/tmp/from_scwrl_1511186017_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1511186017_a.pdb or decoys//var/tmp/from_scwrl_1511186017_a.pdb.gz for input Trying /var/tmp/from_scwrl_1511186017_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1511186017_a.pdb or /var/tmp/from_scwrl_1511186017_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1511186017.pdb or /var/tmp/from_scwrl_1511186017_b.pdb or /var/tmp/from_scwrl_1511186017_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 114 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS4 # request to SCWRL produces command: ulimit -t 147 ; scwrl3 -i /var/tmp/to_scwrl_1818405202.pdb -s /var/tmp/to_scwrl_1818405202.seq -o /var/tmp/from_scwrl_1818405202.pdb > /var/tmp/scwrl_1818405202.log sh: /var/tmp/scwrl_1818405202.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1818405202.pdb or /var/tmp/from_scwrl_1818405202.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1818405202_b.pdb or decoys//var/tmp/from_scwrl_1818405202_b.pdb.gz for input Trying /var/tmp/from_scwrl_1818405202_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1818405202_b.pdb or /var/tmp/from_scwrl_1818405202_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1818405202_a.pdb or decoys//var/tmp/from_scwrl_1818405202_a.pdb.gz for input Trying /var/tmp/from_scwrl_1818405202_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1818405202_a.pdb or /var/tmp/from_scwrl_1818405202_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1818405202.pdb or /var/tmp/from_scwrl_1818405202_b.pdb or /var/tmp/from_scwrl_1818405202_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 134 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS5 # request to SCWRL produces command: ulimit -t 147 ; scwrl3 -i /var/tmp/to_scwrl_529931059.pdb -s /var/tmp/to_scwrl_529931059.seq -o /var/tmp/from_scwrl_529931059.pdb > /var/tmp/scwrl_529931059.log sh: /var/tmp/scwrl_529931059.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_529931059.pdb or /var/tmp/from_scwrl_529931059.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_529931059_b.pdb or decoys//var/tmp/from_scwrl_529931059_b.pdb.gz for input Trying /var/tmp/from_scwrl_529931059_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_529931059_b.pdb or /var/tmp/from_scwrl_529931059_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_529931059_a.pdb or decoys//var/tmp/from_scwrl_529931059_a.pdb.gz for input Trying /var/tmp/from_scwrl_529931059_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_529931059_a.pdb or /var/tmp/from_scwrl_529931059_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_529931059.pdb or /var/tmp/from_scwrl_529931059_b.pdb or /var/tmp/from_scwrl_529931059_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 155 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS1 # request to SCWRL produces command: ulimit -t 147 ; scwrl3 -i /var/tmp/to_scwrl_933671113.pdb -s /var/tmp/to_scwrl_933671113.seq -o /var/tmp/from_scwrl_933671113.pdb > /var/tmp/scwrl_933671113.log sh: /var/tmp/scwrl_933671113.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_933671113.pdb or /var/tmp/from_scwrl_933671113.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_933671113_b.pdb or decoys//var/tmp/from_scwrl_933671113_b.pdb.gz for input Trying /var/tmp/from_scwrl_933671113_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_933671113_b.pdb or /var/tmp/from_scwrl_933671113_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_933671113_a.pdb or decoys//var/tmp/from_scwrl_933671113_a.pdb.gz for input Trying /var/tmp/from_scwrl_933671113_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_933671113_a.pdb or /var/tmp/from_scwrl_933671113_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_933671113.pdb or /var/tmp/from_scwrl_933671113_b.pdb or /var/tmp/from_scwrl_933671113_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 160 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS2 # request to SCWRL produces command: ulimit -t 147 ; scwrl3 -i /var/tmp/to_scwrl_863041238.pdb -s /var/tmp/to_scwrl_863041238.seq -o /var/tmp/from_scwrl_863041238.pdb > /var/tmp/scwrl_863041238.log sh: /var/tmp/scwrl_863041238.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_863041238.pdb or /var/tmp/from_scwrl_863041238.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_863041238_b.pdb or decoys//var/tmp/from_scwrl_863041238_b.pdb.gz for input Trying /var/tmp/from_scwrl_863041238_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_863041238_b.pdb or /var/tmp/from_scwrl_863041238_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_863041238_a.pdb or decoys//var/tmp/from_scwrl_863041238_a.pdb.gz for input Trying /var/tmp/from_scwrl_863041238_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_863041238_a.pdb or /var/tmp/from_scwrl_863041238_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_863041238.pdb or /var/tmp/from_scwrl_863041238_b.pdb or /var/tmp/from_scwrl_863041238_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 161 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS3 # request to SCWRL produces command: ulimit -t 147 ; scwrl3 -i /var/tmp/to_scwrl_383198077.pdb -s /var/tmp/to_scwrl_383198077.seq -o /var/tmp/from_scwrl_383198077.pdb > /var/tmp/scwrl_383198077.log sh: /var/tmp/scwrl_383198077.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_383198077.pdb or /var/tmp/from_scwrl_383198077.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_383198077_b.pdb or decoys//var/tmp/from_scwrl_383198077_b.pdb.gz for input Trying /var/tmp/from_scwrl_383198077_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_383198077_b.pdb or /var/tmp/from_scwrl_383198077_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_383198077_a.pdb or decoys//var/tmp/from_scwrl_383198077_a.pdb.gz for input Trying /var/tmp/from_scwrl_383198077_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_383198077_a.pdb or /var/tmp/from_scwrl_383198077_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_383198077.pdb or /var/tmp/from_scwrl_383198077_b.pdb or /var/tmp/from_scwrl_383198077_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 162 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS4 # request to SCWRL produces command: ulimit -t 147 ; scwrl3 -i /var/tmp/to_scwrl_249910288.pdb -s /var/tmp/to_scwrl_249910288.seq -o /var/tmp/from_scwrl_249910288.pdb > /var/tmp/scwrl_249910288.log sh: /var/tmp/scwrl_249910288.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_249910288.pdb or /var/tmp/from_scwrl_249910288.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_249910288_b.pdb or decoys//var/tmp/from_scwrl_249910288_b.pdb.gz for input Trying /var/tmp/from_scwrl_249910288_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_249910288_b.pdb or /var/tmp/from_scwrl_249910288_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_249910288_a.pdb or decoys//var/tmp/from_scwrl_249910288_a.pdb.gz for input Trying /var/tmp/from_scwrl_249910288_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_249910288_a.pdb or /var/tmp/from_scwrl_249910288_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_249910288.pdb or /var/tmp/from_scwrl_249910288_b.pdb or /var/tmp/from_scwrl_249910288_a.pdb Error: no new SCWRL conformation added # naming current conformation MetaTasser_TS4-scwrl # ReadConformPDB reading from PDB file servers/MetaTasser_TS5.pdb.gz looking for model 1 # Found a chain break before 161 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS5 # request to SCWRL produces command: ulimit -t 147 ; scwrl3 -i /var/tmp/to_scwrl_2064631715.pdb -s /var/tmp/to_scwrl_2064631715.seq -o /var/tmp/from_scwrl_2064631715.pdb > /var/tmp/scwrl_2064631715.log sh: /var/tmp/scwrl_2064631715.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_2064631715.pdb or /var/tmp/from_scwrl_2064631715.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2064631715_b.pdb or decoys//var/tmp/from_scwrl_2064631715_b.pdb.gz for input Trying /var/tmp/from_scwrl_2064631715_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_2064631715_b.pdb or /var/tmp/from_scwrl_2064631715_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2064631715_a.pdb or decoys//var/tmp/from_scwrl_2064631715_a.pdb.gz for input Trying /var/tmp/from_scwrl_2064631715_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_2064631715_a.pdb or /var/tmp/from_scwrl_2064631715_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_2064631715.pdb or /var/tmp/from_scwrl_2064631715_b.pdb or /var/tmp/from_scwrl_2064631715_a.pdb Error: no new SCWRL conformation added # naming current conformation MetaTasser_TS5-scwrl # ReadConformPDB reading from PDB file servers/NN_PUT_lab_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0317 can't currently be optimized by undertaker # naming current conformation NN_PUT_lab_TS1 # request to SCWRL produces command: ulimit -t 147 ; scwrl3 -i /var/tmp/to_scwrl_642223707.pdb -s /var/tmp/to_scwrl_642223707.seq -o /var/tmp/from_scwrl_642223707.pdb > /var/tmp/scwrl_642223707.log sh: /var/tmp/scwrl_642223707.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_642223707.pdb or /var/tmp/from_scwrl_642223707.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_642223707_b.pdb or decoys//var/tmp/from_scwrl_642223707_b.pdb.gz for input Trying /var/tmp/from_scwrl_642223707_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_642223707_b.pdb or /var/tmp/from_scwrl_642223707_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_642223707_a.pdb or decoys//var/tmp/from_scwrl_642223707_a.pdb.gz for input Trying /var/tmp/from_scwrl_642223707_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_642223707_a.pdb or /var/tmp/from_scwrl_642223707_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_642223707.pdb or /var/tmp/from_scwrl_642223707_b.pdb or /var/tmp/from_scwrl_642223707_a.pdb Error: no new SCWRL conformation added # naming current conformation NN_PUT_lab_TS1-scwrl # ReadConformPDB reading from PDB file servers/PROTINFO-AB_TS1.pdb.gz looking for model 1 # naming current conformation PROTINFO-AB_TS1 # request to SCWRL produces command: ulimit -t 147 ; scwrl3 -i /var/tmp/to_scwrl_1422346444.pdb -s /var/tmp/to_scwrl_1422346444.seq -o /var/tmp/from_scwrl_1422346444.pdb > /var/tmp/scwrl_1422346444.log sh: /var/tmp/scwrl_1422346444.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1422346444.pdb or /var/tmp/from_scwrl_1422346444.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1422346444_b.pdb or decoys//var/tmp/from_scwrl_1422346444_b.pdb.gz for input Trying /var/tmp/from_scwrl_1422346444_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1422346444_b.pdb or /var/tmp/from_scwrl_1422346444_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1422346444_a.pdb or decoys//var/tmp/from_scwrl_1422346444_a.pdb.gz for input Trying /var/tmp/from_scwrl_1422346444_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1422346444_a.pdb or /var/tmp/from_scwrl_1422346444_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1422346444.pdb or /var/tmp/from_scwrl_1422346444_b.pdb or /var/tmp/from_scwrl_1422346444_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 147 ; scwrl3 -i /var/tmp/to_scwrl_1622463473.pdb -s /var/tmp/to_scwrl_1622463473.seq -o /var/tmp/from_scwrl_1622463473.pdb > /var/tmp/scwrl_1622463473.log sh: /var/tmp/scwrl_1622463473.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1622463473.pdb or /var/tmp/from_scwrl_1622463473.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1622463473_b.pdb or decoys//var/tmp/from_scwrl_1622463473_b.pdb.gz for input Trying /var/tmp/from_scwrl_1622463473_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1622463473_b.pdb or /var/tmp/from_scwrl_1622463473_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1622463473_a.pdb or decoys//var/tmp/from_scwrl_1622463473_a.pdb.gz for input Trying /var/tmp/from_scwrl_1622463473_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1622463473_a.pdb or /var/tmp/from_scwrl_1622463473_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1622463473.pdb or /var/tmp/from_scwrl_1622463473_b.pdb or /var/tmp/from_scwrl_1622463473_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 147 ; scwrl3 -i /var/tmp/to_scwrl_1677595795.pdb -s /var/tmp/to_scwrl_1677595795.seq -o /var/tmp/from_scwrl_1677595795.pdb > /var/tmp/scwrl_1677595795.log sh: /var/tmp/scwrl_1677595795.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1677595795.pdb or /var/tmp/from_scwrl_1677595795.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1677595795_b.pdb or decoys//var/tmp/from_scwrl_1677595795_b.pdb.gz for input Trying /var/tmp/from_scwrl_1677595795_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1677595795_b.pdb or /var/tmp/from_scwrl_1677595795_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1677595795_a.pdb or decoys//var/tmp/from_scwrl_1677595795_a.pdb.gz for input Trying /var/tmp/from_scwrl_1677595795_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1677595795_a.pdb or /var/tmp/from_scwrl_1677595795_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1677595795.pdb or /var/tmp/from_scwrl_1677595795_b.pdb or /var/tmp/from_scwrl_1677595795_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 147 ; scwrl3 -i /var/tmp/to_scwrl_886907763.pdb -s /var/tmp/to_scwrl_886907763.seq -o /var/tmp/from_scwrl_886907763.pdb > /var/tmp/scwrl_886907763.log sh: /var/tmp/scwrl_886907763.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_886907763.pdb or /var/tmp/from_scwrl_886907763.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_886907763_b.pdb or decoys//var/tmp/from_scwrl_886907763_b.pdb.gz for input Trying /var/tmp/from_scwrl_886907763_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_886907763_b.pdb or /var/tmp/from_scwrl_886907763_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_886907763_a.pdb or decoys//var/tmp/from_scwrl_886907763_a.pdb.gz for input Trying /var/tmp/from_scwrl_886907763_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_886907763_a.pdb or /var/tmp/from_scwrl_886907763_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_886907763.pdb or /var/tmp/from_scwrl_886907763_b.pdb or /var/tmp/from_scwrl_886907763_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 147 ; scwrl3 -i /var/tmp/to_scwrl_1039898191.pdb -s /var/tmp/to_scwrl_1039898191.seq -o /var/tmp/from_scwrl_1039898191.pdb > /var/tmp/scwrl_1039898191.log sh: /var/tmp/scwrl_1039898191.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1039898191.pdb or /var/tmp/from_scwrl_1039898191.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1039898191_b.pdb or decoys//var/tmp/from_scwrl_1039898191_b.pdb.gz for input Trying /var/tmp/from_scwrl_1039898191_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1039898191_b.pdb or /var/tmp/from_scwrl_1039898191_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1039898191_a.pdb or decoys//var/tmp/from_scwrl_1039898191_a.pdb.gz for input Trying /var/tmp/from_scwrl_1039898191_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1039898191_a.pdb or /var/tmp/from_scwrl_1039898191_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1039898191.pdb or /var/tmp/from_scwrl_1039898191_b.pdb or /var/tmp/from_scwrl_1039898191_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 161 # copying to AlignedFragments data structure # naming current conformation PROTINFO_TS1 # request to SCWRL produces command: ulimit -t 147 ; scwrl3 -i /var/tmp/to_scwrl_198364467.pdb -s /var/tmp/to_scwrl_198364467.seq -o /var/tmp/from_scwrl_198364467.pdb > /var/tmp/scwrl_198364467.log sh: /var/tmp/scwrl_198364467.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_198364467.pdb or /var/tmp/from_scwrl_198364467.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_198364467_b.pdb or decoys//var/tmp/from_scwrl_198364467_b.pdb.gz for input Trying /var/tmp/from_scwrl_198364467_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_198364467_b.pdb or /var/tmp/from_scwrl_198364467_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_198364467_a.pdb or decoys//var/tmp/from_scwrl_198364467_a.pdb.gz for input Trying /var/tmp/from_scwrl_198364467_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_198364467_a.pdb or /var/tmp/from_scwrl_198364467_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_198364467.pdb or /var/tmp/from_scwrl_198364467_b.pdb or /var/tmp/from_scwrl_198364467_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 133 # copying to AlignedFragments data structure # naming current conformation PROTINFO_TS2 # request to SCWRL produces command: ulimit -t 147 ; scwrl3 -i /var/tmp/to_scwrl_1057787177.pdb -s /var/tmp/to_scwrl_1057787177.seq -o /var/tmp/from_scwrl_1057787177.pdb > /var/tmp/scwrl_1057787177.log sh: /var/tmp/scwrl_1057787177.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1057787177.pdb or /var/tmp/from_scwrl_1057787177.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1057787177_b.pdb or decoys//var/tmp/from_scwrl_1057787177_b.pdb.gz for input Trying /var/tmp/from_scwrl_1057787177_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1057787177_b.pdb or /var/tmp/from_scwrl_1057787177_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1057787177_a.pdb or decoys//var/tmp/from_scwrl_1057787177_a.pdb.gz for input Trying /var/tmp/from_scwrl_1057787177_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1057787177_a.pdb or /var/tmp/from_scwrl_1057787177_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1057787177.pdb or /var/tmp/from_scwrl_1057787177_b.pdb or /var/tmp/from_scwrl_1057787177_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 161 # copying to AlignedFragments data structure # naming current conformation PROTINFO_TS3 # request to SCWRL produces command: ulimit -t 147 ; scwrl3 -i /var/tmp/to_scwrl_79193123.pdb -s /var/tmp/to_scwrl_79193123.seq -o /var/tmp/from_scwrl_79193123.pdb > /var/tmp/scwrl_79193123.log sh: /var/tmp/scwrl_79193123.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_79193123.pdb or /var/tmp/from_scwrl_79193123.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_79193123_b.pdb or decoys//var/tmp/from_scwrl_79193123_b.pdb.gz for input Trying /var/tmp/from_scwrl_79193123_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_79193123_b.pdb or /var/tmp/from_scwrl_79193123_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_79193123_a.pdb or decoys//var/tmp/from_scwrl_79193123_a.pdb.gz for input Trying /var/tmp/from_scwrl_79193123_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_79193123_a.pdb or /var/tmp/from_scwrl_79193123_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_79193123.pdb or /var/tmp/from_scwrl_79193123_b.pdb or /var/tmp/from_scwrl_79193123_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 50 # copying to AlignedFragments data structure # naming current conformation PROTINFO_TS4 # request to SCWRL produces command: ulimit -t 147 ; scwrl3 -i /var/tmp/to_scwrl_1691662478.pdb -s /var/tmp/to_scwrl_1691662478.seq -o /var/tmp/from_scwrl_1691662478.pdb > /var/tmp/scwrl_1691662478.log sh: /var/tmp/scwrl_1691662478.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1691662478.pdb or /var/tmp/from_scwrl_1691662478.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1691662478_b.pdb or decoys//var/tmp/from_scwrl_1691662478_b.pdb.gz for input Trying /var/tmp/from_scwrl_1691662478_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1691662478_b.pdb or /var/tmp/from_scwrl_1691662478_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1691662478_a.pdb or decoys//var/tmp/from_scwrl_1691662478_a.pdb.gz for input Trying /var/tmp/from_scwrl_1691662478_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1691662478_a.pdb or /var/tmp/from_scwrl_1691662478_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1691662478.pdb or /var/tmp/from_scwrl_1691662478_b.pdb or /var/tmp/from_scwrl_1691662478_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 # naming current conformation PROTINFO_TS5 # request to SCWRL produces command: ulimit -t 147 ; scwrl3 -i /var/tmp/to_scwrl_271771737.pdb -s /var/tmp/to_scwrl_271771737.seq -o /var/tmp/from_scwrl_271771737.pdb > /var/tmp/scwrl_271771737.log sh: /var/tmp/scwrl_271771737.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_271771737.pdb or /var/tmp/from_scwrl_271771737.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_271771737_b.pdb or decoys//var/tmp/from_scwrl_271771737_b.pdb.gz for input Trying /var/tmp/from_scwrl_271771737_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_271771737_b.pdb or /var/tmp/from_scwrl_271771737_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_271771737_a.pdb or decoys//var/tmp/from_scwrl_271771737_a.pdb.gz for input Trying /var/tmp/from_scwrl_271771737_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_271771737_a.pdb or /var/tmp/from_scwrl_271771737_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_271771737.pdb or /var/tmp/from_scwrl_271771737_b.pdb or /var/tmp/from_scwrl_271771737_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 T0317 can't currently be optimized by undertaker # naming current conformation Pcons6_TS1 # request to SCWRL produces command: ulimit -t 147 ; scwrl3 -i /var/tmp/to_scwrl_721004146.pdb -s /var/tmp/to_scwrl_721004146.seq -o /var/tmp/from_scwrl_721004146.pdb > /var/tmp/scwrl_721004146.log sh: /var/tmp/scwrl_721004146.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_721004146.pdb or /var/tmp/from_scwrl_721004146.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_721004146_b.pdb or decoys//var/tmp/from_scwrl_721004146_b.pdb.gz for input Trying /var/tmp/from_scwrl_721004146_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_721004146_b.pdb or /var/tmp/from_scwrl_721004146_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_721004146_a.pdb or decoys//var/tmp/from_scwrl_721004146_a.pdb.gz for input Trying /var/tmp/from_scwrl_721004146_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_721004146_a.pdb or /var/tmp/from_scwrl_721004146_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_721004146.pdb or /var/tmp/from_scwrl_721004146_b.pdb or /var/tmp/from_scwrl_721004146_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 T0317 can't currently be optimized by undertaker # naming current conformation Pcons6_TS2 # request to SCWRL produces command: ulimit -t 147 ; scwrl3 -i /var/tmp/to_scwrl_559991175.pdb -s /var/tmp/to_scwrl_559991175.seq -o /var/tmp/from_scwrl_559991175.pdb > /var/tmp/scwrl_559991175.log sh: /var/tmp/scwrl_559991175.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_559991175.pdb or /var/tmp/from_scwrl_559991175.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_559991175_b.pdb or decoys//var/tmp/from_scwrl_559991175_b.pdb.gz for input Trying /var/tmp/from_scwrl_559991175_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_559991175_b.pdb or /var/tmp/from_scwrl_559991175_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_559991175_a.pdb or decoys//var/tmp/from_scwrl_559991175_a.pdb.gz for input Trying /var/tmp/from_scwrl_559991175_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_559991175_a.pdb or /var/tmp/from_scwrl_559991175_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_559991175.pdb or /var/tmp/from_scwrl_559991175_b.pdb or /var/tmp/from_scwrl_559991175_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 T0317 can't currently be optimized by undertaker # naming current conformation Pcons6_TS3 # request to SCWRL produces command: ulimit -t 147 ; scwrl3 -i /var/tmp/to_scwrl_116973760.pdb -s /var/tmp/to_scwrl_116973760.seq -o /var/tmp/from_scwrl_116973760.pdb > /var/tmp/scwrl_116973760.log sh: /var/tmp/scwrl_116973760.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_116973760.pdb or /var/tmp/from_scwrl_116973760.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_116973760_b.pdb or decoys//var/tmp/from_scwrl_116973760_b.pdb.gz for input Trying /var/tmp/from_scwrl_116973760_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_116973760_b.pdb or /var/tmp/from_scwrl_116973760_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_116973760_a.pdb or decoys//var/tmp/from_scwrl_116973760_a.pdb.gz for input Trying /var/tmp/from_scwrl_116973760_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_116973760_a.pdb or /var/tmp/from_scwrl_116973760_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_116973760.pdb or /var/tmp/from_scwrl_116973760_b.pdb or /var/tmp/from_scwrl_116973760_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 T0317 can't currently be optimized by undertaker # naming current conformation Pcons6_TS4 # request to SCWRL produces command: ulimit -t 147 ; scwrl3 -i /var/tmp/to_scwrl_2091148542.pdb -s /var/tmp/to_scwrl_2091148542.seq -o /var/tmp/from_scwrl_2091148542.pdb > /var/tmp/scwrl_2091148542.log sh: /var/tmp/scwrl_2091148542.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_2091148542.pdb or /var/tmp/from_scwrl_2091148542.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2091148542_b.pdb or decoys//var/tmp/from_scwrl_2091148542_b.pdb.gz for input Trying /var/tmp/from_scwrl_2091148542_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_2091148542_b.pdb or /var/tmp/from_scwrl_2091148542_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2091148542_a.pdb or decoys//var/tmp/from_scwrl_2091148542_a.pdb.gz for input Trying /var/tmp/from_scwrl_2091148542_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_2091148542_a.pdb or /var/tmp/from_scwrl_2091148542_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_2091148542.pdb or /var/tmp/from_scwrl_2091148542_b.pdb or /var/tmp/from_scwrl_2091148542_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 T0317 can't currently be optimized by undertaker # naming current conformation Pcons6_TS5 # request to SCWRL produces command: ulimit -t 147 ; scwrl3 -i /var/tmp/to_scwrl_401113750.pdb -s /var/tmp/to_scwrl_401113750.seq -o /var/tmp/from_scwrl_401113750.pdb > /var/tmp/scwrl_401113750.log sh: /var/tmp/scwrl_401113750.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_401113750.pdb or /var/tmp/from_scwrl_401113750.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_401113750_b.pdb or decoys//var/tmp/from_scwrl_401113750_b.pdb.gz for input Trying /var/tmp/from_scwrl_401113750_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_401113750_b.pdb or /var/tmp/from_scwrl_401113750_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_401113750_a.pdb or decoys//var/tmp/from_scwrl_401113750_a.pdb.gz for input Trying /var/tmp/from_scwrl_401113750_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_401113750_a.pdb or /var/tmp/from_scwrl_401113750_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_401113750.pdb or /var/tmp/from_scwrl_401113750_b.pdb or /var/tmp/from_scwrl_401113750_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 T0317 can't currently be optimized by undertaker # naming current conformation Phyre-1_TS1 # request to SCWRL produces command: ulimit -t 147 ; scwrl3 -i /var/tmp/to_scwrl_163920233.pdb -s /var/tmp/to_scwrl_163920233.seq -o /var/tmp/from_scwrl_163920233.pdb > /var/tmp/scwrl_163920233.log sh: /var/tmp/scwrl_163920233.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_163920233.pdb or /var/tmp/from_scwrl_163920233.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_163920233_b.pdb or decoys//var/tmp/from_scwrl_163920233_b.pdb.gz for input Trying /var/tmp/from_scwrl_163920233_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_163920233_b.pdb or /var/tmp/from_scwrl_163920233_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_163920233_a.pdb or decoys//var/tmp/from_scwrl_163920233_a.pdb.gz for input Trying /var/tmp/from_scwrl_163920233_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_163920233_a.pdb or /var/tmp/from_scwrl_163920233_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_163920233.pdb or /var/tmp/from_scwrl_163920233_b.pdb or /var/tmp/from_scwrl_163920233_a.pdb Error: no new SCWRL conformation added # naming current conformation Phyre-1_TS1-scwrl # ReadConformPDB reading from PDB file servers/Phyre-2_TS1.pdb.gz looking for model 1 # Found a chain break before 55 # copying to AlignedFragments data structure # naming current conformation Phyre-2_TS1 # request to SCWRL produces command: ulimit -t 147 ; scwrl3 -i /var/tmp/to_scwrl_1018787483.pdb -s /var/tmp/to_scwrl_1018787483.seq -o /var/tmp/from_scwrl_1018787483.pdb > /var/tmp/scwrl_1018787483.log sh: /var/tmp/scwrl_1018787483.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1018787483.pdb or /var/tmp/from_scwrl_1018787483.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1018787483_b.pdb or decoys//var/tmp/from_scwrl_1018787483_b.pdb.gz for input Trying /var/tmp/from_scwrl_1018787483_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1018787483_b.pdb or /var/tmp/from_scwrl_1018787483_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1018787483_a.pdb or decoys//var/tmp/from_scwrl_1018787483_a.pdb.gz for input Trying /var/tmp/from_scwrl_1018787483_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1018787483_a.pdb or /var/tmp/from_scwrl_1018787483_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1018787483.pdb or /var/tmp/from_scwrl_1018787483_b.pdb or /var/tmp/from_scwrl_1018787483_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 T0317 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 147 ; scwrl3 -i /var/tmp/to_scwrl_704312504.pdb -s /var/tmp/to_scwrl_704312504.seq -o /var/tmp/from_scwrl_704312504.pdb > /var/tmp/scwrl_704312504.log sh: /var/tmp/scwrl_704312504.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_704312504.pdb or /var/tmp/from_scwrl_704312504.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_704312504_b.pdb or decoys//var/tmp/from_scwrl_704312504_b.pdb.gz for input Trying /var/tmp/from_scwrl_704312504_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_704312504_b.pdb or /var/tmp/from_scwrl_704312504_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_704312504_a.pdb or decoys//var/tmp/from_scwrl_704312504_a.pdb.gz for input Trying /var/tmp/from_scwrl_704312504_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_704312504_a.pdb or /var/tmp/from_scwrl_704312504_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_704312504.pdb or /var/tmp/from_scwrl_704312504_b.pdb or /var/tmp/from_scwrl_704312504_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 T0317 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 147 ; scwrl3 -i /var/tmp/to_scwrl_232474096.pdb -s /var/tmp/to_scwrl_232474096.seq -o /var/tmp/from_scwrl_232474096.pdb > /var/tmp/scwrl_232474096.log sh: /var/tmp/scwrl_232474096.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_232474096.pdb or /var/tmp/from_scwrl_232474096.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_232474096_b.pdb or decoys//var/tmp/from_scwrl_232474096_b.pdb.gz for input Trying /var/tmp/from_scwrl_232474096_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_232474096_b.pdb or /var/tmp/from_scwrl_232474096_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_232474096_a.pdb or decoys//var/tmp/from_scwrl_232474096_a.pdb.gz for input Trying /var/tmp/from_scwrl_232474096_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_232474096_a.pdb or /var/tmp/from_scwrl_232474096_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_232474096.pdb or /var/tmp/from_scwrl_232474096_b.pdb or /var/tmp/from_scwrl_232474096_a.pdb Error: no new SCWRL conformation added # naming current conformation Phyre-2_TS3-scwrl # ReadConformPDB reading from PDB file servers/Phyre-2_TS4.pdb.gz looking for model 1 # Found a chain break before 43 # copying to AlignedFragments data structure # naming current conformation Phyre-2_TS4 # request to SCWRL produces command: ulimit -t 147 ; scwrl3 -i /var/tmp/to_scwrl_2085204414.pdb -s /var/tmp/to_scwrl_2085204414.seq -o /var/tmp/from_scwrl_2085204414.pdb > /var/tmp/scwrl_2085204414.log sh: /var/tmp/scwrl_2085204414.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_2085204414.pdb or /var/tmp/from_scwrl_2085204414.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2085204414_b.pdb or decoys//var/tmp/from_scwrl_2085204414_b.pdb.gz for input Trying /var/tmp/from_scwrl_2085204414_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_2085204414_b.pdb or /var/tmp/from_scwrl_2085204414_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2085204414_a.pdb or decoys//var/tmp/from_scwrl_2085204414_a.pdb.gz for input Trying /var/tmp/from_scwrl_2085204414_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_2085204414_a.pdb or /var/tmp/from_scwrl_2085204414_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_2085204414.pdb or /var/tmp/from_scwrl_2085204414_b.pdb or /var/tmp/from_scwrl_2085204414_a.pdb Error: no new SCWRL conformation added # naming current conformation Phyre-2_TS4-scwrl # ReadConformPDB reading from PDB file servers/Phyre-2_TS5.pdb.gz looking for model 1 # Found a chain break before 43 # copying to AlignedFragments data structure # naming current conformation Phyre-2_TS5 # request to SCWRL produces command: ulimit -t 147 ; scwrl3 -i /var/tmp/to_scwrl_276000136.pdb -s /var/tmp/to_scwrl_276000136.seq -o /var/tmp/from_scwrl_276000136.pdb > /var/tmp/scwrl_276000136.log sh: /var/tmp/scwrl_276000136.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_276000136.pdb or /var/tmp/from_scwrl_276000136.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_276000136_b.pdb or decoys//var/tmp/from_scwrl_276000136_b.pdb.gz for input Trying /var/tmp/from_scwrl_276000136_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_276000136_b.pdb or /var/tmp/from_scwrl_276000136_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_276000136_a.pdb or decoys//var/tmp/from_scwrl_276000136_a.pdb.gz for input Trying /var/tmp/from_scwrl_276000136_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_276000136_a.pdb or /var/tmp/from_scwrl_276000136_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_276000136.pdb or /var/tmp/from_scwrl_276000136_b.pdb or /var/tmp/from_scwrl_276000136_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 49 # copying to AlignedFragments data structure # naming current conformation Pmodeller6_TS1 # request to SCWRL produces command: ulimit -t 147 ; scwrl3 -i /var/tmp/to_scwrl_356454917.pdb -s /var/tmp/to_scwrl_356454917.seq -o /var/tmp/from_scwrl_356454917.pdb > /var/tmp/scwrl_356454917.log sh: /var/tmp/scwrl_356454917.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_356454917.pdb or /var/tmp/from_scwrl_356454917.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_356454917_b.pdb or decoys//var/tmp/from_scwrl_356454917_b.pdb.gz for input Trying /var/tmp/from_scwrl_356454917_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_356454917_b.pdb or /var/tmp/from_scwrl_356454917_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_356454917_a.pdb or decoys//var/tmp/from_scwrl_356454917_a.pdb.gz for input Trying /var/tmp/from_scwrl_356454917_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_356454917_a.pdb or /var/tmp/from_scwrl_356454917_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_356454917.pdb or /var/tmp/from_scwrl_356454917_b.pdb or /var/tmp/from_scwrl_356454917_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 # WARNING: incomplete conformation T0317 can't currently be optimized by undertaker # naming current conformation Pmodeller6_TS2 # request to SCWRL produces command: ulimit -t 147 ; scwrl3 -i /var/tmp/to_scwrl_1448906785.pdb -s /var/tmp/to_scwrl_1448906785.seq -o /var/tmp/from_scwrl_1448906785.pdb > /var/tmp/scwrl_1448906785.log sh: /var/tmp/scwrl_1448906785.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1448906785.pdb or /var/tmp/from_scwrl_1448906785.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1448906785_b.pdb or decoys//var/tmp/from_scwrl_1448906785_b.pdb.gz for input Trying /var/tmp/from_scwrl_1448906785_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1448906785_b.pdb or /var/tmp/from_scwrl_1448906785_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1448906785_a.pdb or decoys//var/tmp/from_scwrl_1448906785_a.pdb.gz for input Trying /var/tmp/from_scwrl_1448906785_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1448906785_a.pdb or /var/tmp/from_scwrl_1448906785_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1448906785.pdb or /var/tmp/from_scwrl_1448906785_b.pdb or /var/tmp/from_scwrl_1448906785_a.pdb Error: no new SCWRL conformation added # naming current conformation Pmodeller6_TS2-scwrl # ReadConformPDB reading from PDB file servers/Pmodeller6_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0317 can't currently be optimized by undertaker # naming current conformation Pmodeller6_TS3 # request to SCWRL produces command: ulimit -t 147 ; scwrl3 -i /var/tmp/to_scwrl_2094405338.pdb -s /var/tmp/to_scwrl_2094405338.seq -o /var/tmp/from_scwrl_2094405338.pdb > /var/tmp/scwrl_2094405338.log sh: /var/tmp/scwrl_2094405338.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_2094405338.pdb or /var/tmp/from_scwrl_2094405338.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2094405338_b.pdb or decoys//var/tmp/from_scwrl_2094405338_b.pdb.gz for input Trying /var/tmp/from_scwrl_2094405338_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_2094405338_b.pdb or /var/tmp/from_scwrl_2094405338_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2094405338_a.pdb or decoys//var/tmp/from_scwrl_2094405338_a.pdb.gz for input Trying /var/tmp/from_scwrl_2094405338_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_2094405338_a.pdb or /var/tmp/from_scwrl_2094405338_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_2094405338.pdb or /var/tmp/from_scwrl_2094405338_b.pdb or /var/tmp/from_scwrl_2094405338_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 T0317 can't currently be optimized by undertaker # naming current conformation Pmodeller6_TS4 # request to SCWRL produces command: ulimit -t 147 ; scwrl3 -i /var/tmp/to_scwrl_886385976.pdb -s /var/tmp/to_scwrl_886385976.seq -o /var/tmp/from_scwrl_886385976.pdb > /var/tmp/scwrl_886385976.log sh: /var/tmp/scwrl_886385976.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_886385976.pdb or /var/tmp/from_scwrl_886385976.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_886385976_b.pdb or decoys//var/tmp/from_scwrl_886385976_b.pdb.gz for input Trying /var/tmp/from_scwrl_886385976_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_886385976_b.pdb or /var/tmp/from_scwrl_886385976_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_886385976_a.pdb or decoys//var/tmp/from_scwrl_886385976_a.pdb.gz for input Trying /var/tmp/from_scwrl_886385976_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_886385976_a.pdb or /var/tmp/from_scwrl_886385976_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_886385976.pdb or /var/tmp/from_scwrl_886385976_b.pdb or /var/tmp/from_scwrl_886385976_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 134 # copying to AlignedFragments data structure # naming current conformation Pmodeller6_TS5 # request to SCWRL produces command: ulimit -t 147 ; scwrl3 -i /var/tmp/to_scwrl_235094251.pdb -s /var/tmp/to_scwrl_235094251.seq -o /var/tmp/from_scwrl_235094251.pdb > /var/tmp/scwrl_235094251.log sh: /var/tmp/scwrl_235094251.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_235094251.pdb or /var/tmp/from_scwrl_235094251.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_235094251_b.pdb or decoys//var/tmp/from_scwrl_235094251_b.pdb.gz for input Trying /var/tmp/from_scwrl_235094251_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_235094251_b.pdb or /var/tmp/from_scwrl_235094251_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_235094251_a.pdb or decoys//var/tmp/from_scwrl_235094251_a.pdb.gz for input Trying /var/tmp/from_scwrl_235094251_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_235094251_a.pdb or /var/tmp/from_scwrl_235094251_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_235094251.pdb or /var/tmp/from_scwrl_235094251_b.pdb or /var/tmp/from_scwrl_235094251_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 130 # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS1 # request to SCWRL produces command: ulimit -t 147 ; scwrl3 -i /var/tmp/to_scwrl_809962929.pdb -s /var/tmp/to_scwrl_809962929.seq -o /var/tmp/from_scwrl_809962929.pdb > /var/tmp/scwrl_809962929.log sh: /var/tmp/scwrl_809962929.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_809962929.pdb or /var/tmp/from_scwrl_809962929.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_809962929_b.pdb or decoys//var/tmp/from_scwrl_809962929_b.pdb.gz for input Trying /var/tmp/from_scwrl_809962929_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_809962929_b.pdb or /var/tmp/from_scwrl_809962929_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_809962929_a.pdb or decoys//var/tmp/from_scwrl_809962929_a.pdb.gz for input Trying /var/tmp/from_scwrl_809962929_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_809962929_a.pdb or /var/tmp/from_scwrl_809962929_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_809962929.pdb or /var/tmp/from_scwrl_809962929_b.pdb or /var/tmp/from_scwrl_809962929_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 7 # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS2 # request to SCWRL produces command: ulimit -t 147 ; scwrl3 -i /var/tmp/to_scwrl_1269584053.pdb -s /var/tmp/to_scwrl_1269584053.seq -o /var/tmp/from_scwrl_1269584053.pdb > /var/tmp/scwrl_1269584053.log sh: /var/tmp/scwrl_1269584053.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1269584053.pdb or /var/tmp/from_scwrl_1269584053.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1269584053_b.pdb or decoys//var/tmp/from_scwrl_1269584053_b.pdb.gz for input Trying /var/tmp/from_scwrl_1269584053_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1269584053_b.pdb or /var/tmp/from_scwrl_1269584053_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1269584053_a.pdb or decoys//var/tmp/from_scwrl_1269584053_a.pdb.gz for input Trying /var/tmp/from_scwrl_1269584053_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1269584053_a.pdb or /var/tmp/from_scwrl_1269584053_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1269584053.pdb or /var/tmp/from_scwrl_1269584053_b.pdb or /var/tmp/from_scwrl_1269584053_a.pdb Error: no new SCWRL conformation added # naming current conformation RAPTOR-ACE_TS2-scwrl # ReadConformPDB reading from PDB file servers/RAPTOR-ACE_TS3.pdb.gz looking for model 1 # Found a chain break before 130 # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS3 # request to SCWRL produces command: ulimit -t 147 ; scwrl3 -i /var/tmp/to_scwrl_485004539.pdb -s /var/tmp/to_scwrl_485004539.seq -o /var/tmp/from_scwrl_485004539.pdb > /var/tmp/scwrl_485004539.log sh: /var/tmp/scwrl_485004539.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_485004539.pdb or /var/tmp/from_scwrl_485004539.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_485004539_b.pdb or decoys//var/tmp/from_scwrl_485004539_b.pdb.gz for input Trying /var/tmp/from_scwrl_485004539_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_485004539_b.pdb or /var/tmp/from_scwrl_485004539_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_485004539_a.pdb or decoys//var/tmp/from_scwrl_485004539_a.pdb.gz for input Trying /var/tmp/from_scwrl_485004539_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_485004539_a.pdb or /var/tmp/from_scwrl_485004539_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_485004539.pdb or /var/tmp/from_scwrl_485004539_b.pdb or /var/tmp/from_scwrl_485004539_a.pdb Error: no new SCWRL conformation added # naming current conformation RAPTOR-ACE_TS3-scwrl # ReadConformPDB reading from PDB file servers/RAPTOR-ACE_TS4.pdb.gz looking for model 1 # Found a chain break before 152 # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS4 # request to SCWRL produces command: ulimit -t 147 ; scwrl3 -i /var/tmp/to_scwrl_727110998.pdb -s /var/tmp/to_scwrl_727110998.seq -o /var/tmp/from_scwrl_727110998.pdb > /var/tmp/scwrl_727110998.log sh: /var/tmp/scwrl_727110998.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_727110998.pdb or /var/tmp/from_scwrl_727110998.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_727110998_b.pdb or decoys//var/tmp/from_scwrl_727110998_b.pdb.gz for input Trying /var/tmp/from_scwrl_727110998_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_727110998_b.pdb or /var/tmp/from_scwrl_727110998_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_727110998_a.pdb or decoys//var/tmp/from_scwrl_727110998_a.pdb.gz for input Trying /var/tmp/from_scwrl_727110998_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_727110998_a.pdb or /var/tmp/from_scwrl_727110998_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_727110998.pdb or /var/tmp/from_scwrl_727110998_b.pdb or /var/tmp/from_scwrl_727110998_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 # naming current conformation RAPTOR-ACE_TS5 # request to SCWRL produces command: ulimit -t 147 ; scwrl3 -i /var/tmp/to_scwrl_1911807760.pdb -s /var/tmp/to_scwrl_1911807760.seq -o /var/tmp/from_scwrl_1911807760.pdb > /var/tmp/scwrl_1911807760.log sh: /var/tmp/scwrl_1911807760.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1911807760.pdb or /var/tmp/from_scwrl_1911807760.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1911807760_b.pdb or decoys//var/tmp/from_scwrl_1911807760_b.pdb.gz for input Trying /var/tmp/from_scwrl_1911807760_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1911807760_b.pdb or /var/tmp/from_scwrl_1911807760_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1911807760_a.pdb or decoys//var/tmp/from_scwrl_1911807760_a.pdb.gz for input Trying /var/tmp/from_scwrl_1911807760_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1911807760_a.pdb or /var/tmp/from_scwrl_1911807760_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1911807760.pdb or /var/tmp/from_scwrl_1911807760_b.pdb or /var/tmp/from_scwrl_1911807760_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 160 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS1 # request to SCWRL produces command: ulimit -t 147 ; scwrl3 -i /var/tmp/to_scwrl_1907350983.pdb -s /var/tmp/to_scwrl_1907350983.seq -o /var/tmp/from_scwrl_1907350983.pdb > /var/tmp/scwrl_1907350983.log sh: /var/tmp/scwrl_1907350983.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1907350983.pdb or /var/tmp/from_scwrl_1907350983.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1907350983_b.pdb or decoys//var/tmp/from_scwrl_1907350983_b.pdb.gz for input Trying /var/tmp/from_scwrl_1907350983_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1907350983_b.pdb or /var/tmp/from_scwrl_1907350983_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1907350983_a.pdb or decoys//var/tmp/from_scwrl_1907350983_a.pdb.gz for input Trying /var/tmp/from_scwrl_1907350983_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1907350983_a.pdb or /var/tmp/from_scwrl_1907350983_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1907350983.pdb or /var/tmp/from_scwrl_1907350983_b.pdb or /var/tmp/from_scwrl_1907350983_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 158 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS2 # request to SCWRL produces command: ulimit -t 147 ; scwrl3 -i /var/tmp/to_scwrl_202090824.pdb -s /var/tmp/to_scwrl_202090824.seq -o /var/tmp/from_scwrl_202090824.pdb > /var/tmp/scwrl_202090824.log sh: /var/tmp/scwrl_202090824.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_202090824.pdb or /var/tmp/from_scwrl_202090824.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_202090824_b.pdb or decoys//var/tmp/from_scwrl_202090824_b.pdb.gz for input Trying /var/tmp/from_scwrl_202090824_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_202090824_b.pdb or /var/tmp/from_scwrl_202090824_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_202090824_a.pdb or decoys//var/tmp/from_scwrl_202090824_a.pdb.gz for input Trying /var/tmp/from_scwrl_202090824_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_202090824_a.pdb or /var/tmp/from_scwrl_202090824_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_202090824.pdb or /var/tmp/from_scwrl_202090824_b.pdb or /var/tmp/from_scwrl_202090824_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 158 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS3 # request to SCWRL produces command: ulimit -t 147 ; scwrl3 -i /var/tmp/to_scwrl_1441919909.pdb -s /var/tmp/to_scwrl_1441919909.seq -o /var/tmp/from_scwrl_1441919909.pdb > /var/tmp/scwrl_1441919909.log sh: /var/tmp/scwrl_1441919909.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1441919909.pdb or /var/tmp/from_scwrl_1441919909.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1441919909_b.pdb or decoys//var/tmp/from_scwrl_1441919909_b.pdb.gz for input Trying /var/tmp/from_scwrl_1441919909_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1441919909_b.pdb or /var/tmp/from_scwrl_1441919909_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1441919909_a.pdb or decoys//var/tmp/from_scwrl_1441919909_a.pdb.gz for input Trying /var/tmp/from_scwrl_1441919909_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1441919909_a.pdb or /var/tmp/from_scwrl_1441919909_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1441919909.pdb or /var/tmp/from_scwrl_1441919909_b.pdb or /var/tmp/from_scwrl_1441919909_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 161 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS4 # request to SCWRL produces command: ulimit -t 147 ; scwrl3 -i /var/tmp/to_scwrl_646775100.pdb -s /var/tmp/to_scwrl_646775100.seq -o /var/tmp/from_scwrl_646775100.pdb > /var/tmp/scwrl_646775100.log sh: /var/tmp/scwrl_646775100.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_646775100.pdb or /var/tmp/from_scwrl_646775100.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_646775100_b.pdb or decoys//var/tmp/from_scwrl_646775100_b.pdb.gz for input Trying /var/tmp/from_scwrl_646775100_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_646775100_b.pdb or /var/tmp/from_scwrl_646775100_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_646775100_a.pdb or decoys//var/tmp/from_scwrl_646775100_a.pdb.gz for input Trying /var/tmp/from_scwrl_646775100_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_646775100_a.pdb or /var/tmp/from_scwrl_646775100_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_646775100.pdb or /var/tmp/from_scwrl_646775100_b.pdb or /var/tmp/from_scwrl_646775100_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 161 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS5 # request to SCWRL produces command: ulimit -t 147 ; scwrl3 -i /var/tmp/to_scwrl_1241989014.pdb -s /var/tmp/to_scwrl_1241989014.seq -o /var/tmp/from_scwrl_1241989014.pdb > /var/tmp/scwrl_1241989014.log sh: /var/tmp/scwrl_1241989014.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1241989014.pdb or /var/tmp/from_scwrl_1241989014.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1241989014_b.pdb or decoys//var/tmp/from_scwrl_1241989014_b.pdb.gz for input Trying /var/tmp/from_scwrl_1241989014_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1241989014_b.pdb or /var/tmp/from_scwrl_1241989014_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1241989014_a.pdb or decoys//var/tmp/from_scwrl_1241989014_a.pdb.gz for input Trying /var/tmp/from_scwrl_1241989014_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1241989014_a.pdb or /var/tmp/from_scwrl_1241989014_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1241989014.pdb or /var/tmp/from_scwrl_1241989014_b.pdb or /var/tmp/from_scwrl_1241989014_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 152 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS1 # request to SCWRL produces command: ulimit -t 147 ; scwrl3 -i /var/tmp/to_scwrl_1640284376.pdb -s /var/tmp/to_scwrl_1640284376.seq -o /var/tmp/from_scwrl_1640284376.pdb > /var/tmp/scwrl_1640284376.log sh: /var/tmp/scwrl_1640284376.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1640284376.pdb or /var/tmp/from_scwrl_1640284376.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1640284376_b.pdb or decoys//var/tmp/from_scwrl_1640284376_b.pdb.gz for input Trying /var/tmp/from_scwrl_1640284376_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1640284376_b.pdb or /var/tmp/from_scwrl_1640284376_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1640284376_a.pdb or decoys//var/tmp/from_scwrl_1640284376_a.pdb.gz for input Trying /var/tmp/from_scwrl_1640284376_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1640284376_a.pdb or /var/tmp/from_scwrl_1640284376_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1640284376.pdb or /var/tmp/from_scwrl_1640284376_b.pdb or /var/tmp/from_scwrl_1640284376_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 130 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS2 # request to SCWRL produces command: ulimit -t 147 ; scwrl3 -i /var/tmp/to_scwrl_1704562276.pdb -s /var/tmp/to_scwrl_1704562276.seq -o /var/tmp/from_scwrl_1704562276.pdb > /var/tmp/scwrl_1704562276.log sh: /var/tmp/scwrl_1704562276.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1704562276.pdb or /var/tmp/from_scwrl_1704562276.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1704562276_b.pdb or decoys//var/tmp/from_scwrl_1704562276_b.pdb.gz for input Trying /var/tmp/from_scwrl_1704562276_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1704562276_b.pdb or /var/tmp/from_scwrl_1704562276_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1704562276_a.pdb or decoys//var/tmp/from_scwrl_1704562276_a.pdb.gz for input Trying /var/tmp/from_scwrl_1704562276_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1704562276_a.pdb or /var/tmp/from_scwrl_1704562276_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1704562276.pdb or /var/tmp/from_scwrl_1704562276_b.pdb or /var/tmp/from_scwrl_1704562276_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 99 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS3 # request to SCWRL produces command: ulimit -t 147 ; scwrl3 -i /var/tmp/to_scwrl_1321182137.pdb -s /var/tmp/to_scwrl_1321182137.seq -o /var/tmp/from_scwrl_1321182137.pdb > /var/tmp/scwrl_1321182137.log sh: /var/tmp/scwrl_1321182137.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1321182137.pdb or /var/tmp/from_scwrl_1321182137.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1321182137_b.pdb or decoys//var/tmp/from_scwrl_1321182137_b.pdb.gz for input Trying /var/tmp/from_scwrl_1321182137_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1321182137_b.pdb or /var/tmp/from_scwrl_1321182137_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1321182137_a.pdb or decoys//var/tmp/from_scwrl_1321182137_a.pdb.gz for input Trying /var/tmp/from_scwrl_1321182137_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1321182137_a.pdb or /var/tmp/from_scwrl_1321182137_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1321182137.pdb or /var/tmp/from_scwrl_1321182137_b.pdb or /var/tmp/from_scwrl_1321182137_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 148 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS4 # request to SCWRL produces command: ulimit -t 147 ; scwrl3 -i /var/tmp/to_scwrl_1184463207.pdb -s /var/tmp/to_scwrl_1184463207.seq -o /var/tmp/from_scwrl_1184463207.pdb > /var/tmp/scwrl_1184463207.log sh: /var/tmp/scwrl_1184463207.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1184463207.pdb or /var/tmp/from_scwrl_1184463207.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1184463207_b.pdb or decoys//var/tmp/from_scwrl_1184463207_b.pdb.gz for input Trying /var/tmp/from_scwrl_1184463207_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1184463207_b.pdb or /var/tmp/from_scwrl_1184463207_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1184463207_a.pdb or decoys//var/tmp/from_scwrl_1184463207_a.pdb.gz for input Trying /var/tmp/from_scwrl_1184463207_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1184463207_a.pdb or /var/tmp/from_scwrl_1184463207_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1184463207.pdb or /var/tmp/from_scwrl_1184463207_b.pdb or /var/tmp/from_scwrl_1184463207_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 46 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS5 # request to SCWRL produces command: ulimit -t 147 ; scwrl3 -i /var/tmp/to_scwrl_1976334014.pdb -s /var/tmp/to_scwrl_1976334014.seq -o /var/tmp/from_scwrl_1976334014.pdb > /var/tmp/scwrl_1976334014.log sh: /var/tmp/scwrl_1976334014.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1976334014.pdb or /var/tmp/from_scwrl_1976334014.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1976334014_b.pdb or decoys//var/tmp/from_scwrl_1976334014_b.pdb.gz for input Trying /var/tmp/from_scwrl_1976334014_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1976334014_b.pdb or /var/tmp/from_scwrl_1976334014_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1976334014_a.pdb or decoys//var/tmp/from_scwrl_1976334014_a.pdb.gz for input Trying /var/tmp/from_scwrl_1976334014_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1976334014_a.pdb or /var/tmp/from_scwrl_1976334014_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1976334014.pdb or /var/tmp/from_scwrl_1976334014_b.pdb or /var/tmp/from_scwrl_1976334014_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 # naming current conformation ROBETTA_TS1 # request to SCWRL produces command: ulimit -t 147 ; scwrl3 -i /var/tmp/to_scwrl_2042186284.pdb -s /var/tmp/to_scwrl_2042186284.seq -o /var/tmp/from_scwrl_2042186284.pdb > /var/tmp/scwrl_2042186284.log sh: /var/tmp/scwrl_2042186284.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_2042186284.pdb or /var/tmp/from_scwrl_2042186284.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2042186284_b.pdb or decoys//var/tmp/from_scwrl_2042186284_b.pdb.gz for input Trying /var/tmp/from_scwrl_2042186284_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_2042186284_b.pdb or /var/tmp/from_scwrl_2042186284_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2042186284_a.pdb or decoys//var/tmp/from_scwrl_2042186284_a.pdb.gz for input Trying /var/tmp/from_scwrl_2042186284_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_2042186284_a.pdb or /var/tmp/from_scwrl_2042186284_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_2042186284.pdb or /var/tmp/from_scwrl_2042186284_b.pdb or /var/tmp/from_scwrl_2042186284_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 49 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS2 # request to SCWRL produces command: ulimit -t 147 ; scwrl3 -i /var/tmp/to_scwrl_1744454382.pdb -s /var/tmp/to_scwrl_1744454382.seq -o /var/tmp/from_scwrl_1744454382.pdb > /var/tmp/scwrl_1744454382.log sh: /var/tmp/scwrl_1744454382.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1744454382.pdb or /var/tmp/from_scwrl_1744454382.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1744454382_b.pdb or decoys//var/tmp/from_scwrl_1744454382_b.pdb.gz for input Trying /var/tmp/from_scwrl_1744454382_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1744454382_b.pdb or /var/tmp/from_scwrl_1744454382_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1744454382_a.pdb or decoys//var/tmp/from_scwrl_1744454382_a.pdb.gz for input Trying /var/tmp/from_scwrl_1744454382_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1744454382_a.pdb or /var/tmp/from_scwrl_1744454382_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1744454382.pdb or /var/tmp/from_scwrl_1744454382_b.pdb or /var/tmp/from_scwrl_1744454382_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 52 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS3 # request to SCWRL produces command: ulimit -t 147 ; scwrl3 -i /var/tmp/to_scwrl_2093307774.pdb -s /var/tmp/to_scwrl_2093307774.seq -o /var/tmp/from_scwrl_2093307774.pdb > /var/tmp/scwrl_2093307774.log sh: /var/tmp/scwrl_2093307774.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_2093307774.pdb or /var/tmp/from_scwrl_2093307774.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2093307774_b.pdb or decoys//var/tmp/from_scwrl_2093307774_b.pdb.gz for input Trying /var/tmp/from_scwrl_2093307774_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_2093307774_b.pdb or /var/tmp/from_scwrl_2093307774_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2093307774_a.pdb or decoys//var/tmp/from_scwrl_2093307774_a.pdb.gz for input Trying /var/tmp/from_scwrl_2093307774_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_2093307774_a.pdb or /var/tmp/from_scwrl_2093307774_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_2093307774.pdb or /var/tmp/from_scwrl_2093307774_b.pdb or /var/tmp/from_scwrl_2093307774_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 8 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS4 # request to SCWRL produces command: ulimit -t 147 ; scwrl3 -i /var/tmp/to_scwrl_1985851179.pdb -s /var/tmp/to_scwrl_1985851179.seq -o /var/tmp/from_scwrl_1985851179.pdb > /var/tmp/scwrl_1985851179.log sh: /var/tmp/scwrl_1985851179.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1985851179.pdb or /var/tmp/from_scwrl_1985851179.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1985851179_b.pdb or decoys//var/tmp/from_scwrl_1985851179_b.pdb.gz for input Trying /var/tmp/from_scwrl_1985851179_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1985851179_b.pdb or /var/tmp/from_scwrl_1985851179_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1985851179_a.pdb or decoys//var/tmp/from_scwrl_1985851179_a.pdb.gz for input Trying /var/tmp/from_scwrl_1985851179_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1985851179_a.pdb or /var/tmp/from_scwrl_1985851179_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1985851179.pdb or /var/tmp/from_scwrl_1985851179_b.pdb or /var/tmp/from_scwrl_1985851179_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 134 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS5 # request to SCWRL produces command: ulimit -t 147 ; scwrl3 -i /var/tmp/to_scwrl_2145568132.pdb -s /var/tmp/to_scwrl_2145568132.seq -o /var/tmp/from_scwrl_2145568132.pdb > /var/tmp/scwrl_2145568132.log sh: /var/tmp/scwrl_2145568132.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_2145568132.pdb or /var/tmp/from_scwrl_2145568132.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2145568132_b.pdb or decoys//var/tmp/from_scwrl_2145568132_b.pdb.gz for input Trying /var/tmp/from_scwrl_2145568132_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_2145568132_b.pdb or /var/tmp/from_scwrl_2145568132_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2145568132_a.pdb or decoys//var/tmp/from_scwrl_2145568132_a.pdb.gz for input Trying /var/tmp/from_scwrl_2145568132_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_2145568132_a.pdb or /var/tmp/from_scwrl_2145568132_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_2145568132.pdb or /var/tmp/from_scwrl_2145568132_b.pdb or /var/tmp/from_scwrl_2145568132_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 140 # copying to AlignedFragments data structure # naming current conformation ROKKY_TS1 # request to SCWRL produces command: ulimit -t 147 ; scwrl3 -i /var/tmp/to_scwrl_109744360.pdb -s /var/tmp/to_scwrl_109744360.seq -o /var/tmp/from_scwrl_109744360.pdb > /var/tmp/scwrl_109744360.log sh: /var/tmp/scwrl_109744360.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_109744360.pdb or /var/tmp/from_scwrl_109744360.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_109744360_b.pdb or decoys//var/tmp/from_scwrl_109744360_b.pdb.gz for input Trying /var/tmp/from_scwrl_109744360_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_109744360_b.pdb or /var/tmp/from_scwrl_109744360_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_109744360_a.pdb or decoys//var/tmp/from_scwrl_109744360_a.pdb.gz for input Trying /var/tmp/from_scwrl_109744360_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_109744360_a.pdb or /var/tmp/from_scwrl_109744360_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_109744360.pdb or /var/tmp/from_scwrl_109744360_b.pdb or /var/tmp/from_scwrl_109744360_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 147 # copying to AlignedFragments data structure # naming current conformation ROKKY_TS2 # request to SCWRL produces command: ulimit -t 147 ; scwrl3 -i /var/tmp/to_scwrl_857155015.pdb -s /var/tmp/to_scwrl_857155015.seq -o /var/tmp/from_scwrl_857155015.pdb > /var/tmp/scwrl_857155015.log sh: /var/tmp/scwrl_857155015.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_857155015.pdb or /var/tmp/from_scwrl_857155015.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_857155015_b.pdb or decoys//var/tmp/from_scwrl_857155015_b.pdb.gz for input Trying /var/tmp/from_scwrl_857155015_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_857155015_b.pdb or /var/tmp/from_scwrl_857155015_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_857155015_a.pdb or decoys//var/tmp/from_scwrl_857155015_a.pdb.gz for input Trying /var/tmp/from_scwrl_857155015_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_857155015_a.pdb or /var/tmp/from_scwrl_857155015_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_857155015.pdb or /var/tmp/from_scwrl_857155015_b.pdb or /var/tmp/from_scwrl_857155015_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 # naming current conformation ROKKY_TS3 # request to SCWRL produces command: ulimit -t 147 ; scwrl3 -i /var/tmp/to_scwrl_702396989.pdb -s /var/tmp/to_scwrl_702396989.seq -o /var/tmp/from_scwrl_702396989.pdb > /var/tmp/scwrl_702396989.log sh: /var/tmp/scwrl_702396989.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_702396989.pdb or /var/tmp/from_scwrl_702396989.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_702396989_b.pdb or decoys//var/tmp/from_scwrl_702396989_b.pdb.gz for input Trying /var/tmp/from_scwrl_702396989_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_702396989_b.pdb or /var/tmp/from_scwrl_702396989_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_702396989_a.pdb or decoys//var/tmp/from_scwrl_702396989_a.pdb.gz for input Trying /var/tmp/from_scwrl_702396989_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_702396989_a.pdb or /var/tmp/from_scwrl_702396989_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_702396989.pdb or /var/tmp/from_scwrl_702396989_b.pdb or /var/tmp/from_scwrl_702396989_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 145 # copying to AlignedFragments data structure # naming current conformation ROKKY_TS4 # request to SCWRL produces command: ulimit -t 147 ; scwrl3 -i /var/tmp/to_scwrl_342218457.pdb -s /var/tmp/to_scwrl_342218457.seq -o /var/tmp/from_scwrl_342218457.pdb > /var/tmp/scwrl_342218457.log sh: /var/tmp/scwrl_342218457.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_342218457.pdb or /var/tmp/from_scwrl_342218457.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_342218457_b.pdb or decoys//var/tmp/from_scwrl_342218457_b.pdb.gz for input Trying /var/tmp/from_scwrl_342218457_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_342218457_b.pdb or /var/tmp/from_scwrl_342218457_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_342218457_a.pdb or decoys//var/tmp/from_scwrl_342218457_a.pdb.gz for input Trying /var/tmp/from_scwrl_342218457_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_342218457_a.pdb or /var/tmp/from_scwrl_342218457_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_342218457.pdb or /var/tmp/from_scwrl_342218457_b.pdb or /var/tmp/from_scwrl_342218457_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 152 # copying to AlignedFragments data structure # naming current conformation ROKKY_TS5 # request to SCWRL produces command: ulimit -t 147 ; scwrl3 -i /var/tmp/to_scwrl_794875783.pdb -s /var/tmp/to_scwrl_794875783.seq -o /var/tmp/from_scwrl_794875783.pdb > /var/tmp/scwrl_794875783.log sh: /var/tmp/scwrl_794875783.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_794875783.pdb or /var/tmp/from_scwrl_794875783.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_794875783_b.pdb or decoys//var/tmp/from_scwrl_794875783_b.pdb.gz for input Trying /var/tmp/from_scwrl_794875783_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_794875783_b.pdb or /var/tmp/from_scwrl_794875783_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_794875783_a.pdb or decoys//var/tmp/from_scwrl_794875783_a.pdb.gz for input Trying /var/tmp/from_scwrl_794875783_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_794875783_a.pdb or /var/tmp/from_scwrl_794875783_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_794875783.pdb or /var/tmp/from_scwrl_794875783_b.pdb or /var/tmp/from_scwrl_794875783_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 T0317 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL1 # request to SCWRL produces command: ulimit -t 147 ; scwrl3 -i /var/tmp/to_scwrl_978397126.pdb -s /var/tmp/to_scwrl_978397126.seq -o /var/tmp/from_scwrl_978397126.pdb > /var/tmp/scwrl_978397126.log sh: /var/tmp/scwrl_978397126.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_978397126.pdb or /var/tmp/from_scwrl_978397126.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_978397126_b.pdb or decoys//var/tmp/from_scwrl_978397126_b.pdb.gz for input Trying /var/tmp/from_scwrl_978397126_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_978397126_b.pdb or /var/tmp/from_scwrl_978397126_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_978397126_a.pdb or decoys//var/tmp/from_scwrl_978397126_a.pdb.gz for input Trying /var/tmp/from_scwrl_978397126_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_978397126_a.pdb or /var/tmp/from_scwrl_978397126_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_978397126.pdb or /var/tmp/from_scwrl_978397126_b.pdb or /var/tmp/from_scwrl_978397126_a.pdb Error: no new SCWRL conformation added # naming current conformation SAM-T02_AL1-scwrl # ReadConformPDB reading from PDB file servers/SAM-T02_AL2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0317 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL2 # request to SCWRL produces command: ulimit -t 147 ; scwrl3 -i /var/tmp/to_scwrl_698673374.pdb -s /var/tmp/to_scwrl_698673374.seq -o /var/tmp/from_scwrl_698673374.pdb > /var/tmp/scwrl_698673374.log sh: /var/tmp/scwrl_698673374.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_698673374.pdb or /var/tmp/from_scwrl_698673374.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_698673374_b.pdb or decoys//var/tmp/from_scwrl_698673374_b.pdb.gz for input Trying /var/tmp/from_scwrl_698673374_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_698673374_b.pdb or /var/tmp/from_scwrl_698673374_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_698673374_a.pdb or decoys//var/tmp/from_scwrl_698673374_a.pdb.gz for input Trying /var/tmp/from_scwrl_698673374_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_698673374_a.pdb or /var/tmp/from_scwrl_698673374_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_698673374.pdb or /var/tmp/from_scwrl_698673374_b.pdb or /var/tmp/from_scwrl_698673374_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 T0317 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL3 # request to SCWRL produces command: ulimit -t 147 ; scwrl3 -i /var/tmp/to_scwrl_96298921.pdb -s /var/tmp/to_scwrl_96298921.seq -o /var/tmp/from_scwrl_96298921.pdb > /var/tmp/scwrl_96298921.log sh: /var/tmp/scwrl_96298921.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_96298921.pdb or /var/tmp/from_scwrl_96298921.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_96298921_b.pdb or decoys//var/tmp/from_scwrl_96298921_b.pdb.gz for input Trying /var/tmp/from_scwrl_96298921_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_96298921_b.pdb or /var/tmp/from_scwrl_96298921_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_96298921_a.pdb or decoys//var/tmp/from_scwrl_96298921_a.pdb.gz for input Trying /var/tmp/from_scwrl_96298921_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_96298921_a.pdb or /var/tmp/from_scwrl_96298921_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_96298921.pdb or /var/tmp/from_scwrl_96298921_b.pdb or /var/tmp/from_scwrl_96298921_a.pdb Error: no new SCWRL conformation added # naming current conformation SAM-T02_AL3-scwrl # ReadConformPDB reading from PDB file servers/SAM-T02_AL4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0317 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL4 # request to SCWRL produces command: ulimit -t 147 ; scwrl3 -i /var/tmp/to_scwrl_925318817.pdb -s /var/tmp/to_scwrl_925318817.seq -o /var/tmp/from_scwrl_925318817.pdb > /var/tmp/scwrl_925318817.log sh: /var/tmp/scwrl_925318817.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_925318817.pdb or /var/tmp/from_scwrl_925318817.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_925318817_b.pdb or decoys//var/tmp/from_scwrl_925318817_b.pdb.gz for input Trying /var/tmp/from_scwrl_925318817_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_925318817_b.pdb or /var/tmp/from_scwrl_925318817_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_925318817_a.pdb or decoys//var/tmp/from_scwrl_925318817_a.pdb.gz for input Trying /var/tmp/from_scwrl_925318817_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_925318817_a.pdb or /var/tmp/from_scwrl_925318817_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_925318817.pdb or /var/tmp/from_scwrl_925318817_b.pdb or /var/tmp/from_scwrl_925318817_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 # WARNING: incomplete conformation T0317 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL5 # request to SCWRL produces command: ulimit -t 147 ; scwrl3 -i /var/tmp/to_scwrl_1585059350.pdb -s /var/tmp/to_scwrl_1585059350.seq -o /var/tmp/from_scwrl_1585059350.pdb > /var/tmp/scwrl_1585059350.log sh: /var/tmp/scwrl_1585059350.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1585059350.pdb or /var/tmp/from_scwrl_1585059350.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1585059350_b.pdb or decoys//var/tmp/from_scwrl_1585059350_b.pdb.gz for input Trying /var/tmp/from_scwrl_1585059350_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1585059350_b.pdb or /var/tmp/from_scwrl_1585059350_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1585059350_a.pdb or decoys//var/tmp/from_scwrl_1585059350_a.pdb.gz for input Trying /var/tmp/from_scwrl_1585059350_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1585059350_a.pdb or /var/tmp/from_scwrl_1585059350_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1585059350.pdb or /var/tmp/from_scwrl_1585059350_b.pdb or /var/tmp/from_scwrl_1585059350_a.pdb Error: no new SCWRL conformation added # naming current conformation SAM-T02_AL5-scwrl # ReadConformPDB reading from PDB file servers/SAM-T99_AL1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0317 can't currently be optimized by undertaker # naming current conformation SAM-T99_AL1 # request to SCWRL produces command: ulimit -t 147 ; scwrl3 -i /var/tmp/to_scwrl_331393172.pdb -s /var/tmp/to_scwrl_331393172.seq -o /var/tmp/from_scwrl_331393172.pdb > /var/tmp/scwrl_331393172.log sh: /var/tmp/scwrl_331393172.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_331393172.pdb or /var/tmp/from_scwrl_331393172.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_331393172_b.pdb or decoys//var/tmp/from_scwrl_331393172_b.pdb.gz for input Trying /var/tmp/from_scwrl_331393172_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_331393172_b.pdb or /var/tmp/from_scwrl_331393172_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_331393172_a.pdb or decoys//var/tmp/from_scwrl_331393172_a.pdb.gz for input Trying /var/tmp/from_scwrl_331393172_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_331393172_a.pdb or /var/tmp/from_scwrl_331393172_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_331393172.pdb or /var/tmp/from_scwrl_331393172_b.pdb or /var/tmp/from_scwrl_331393172_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 T0317 can't currently be optimized by undertaker # naming current conformation SAM-T99_AL2 # request to SCWRL produces command: ulimit -t 147 ; scwrl3 -i /var/tmp/to_scwrl_1735281746.pdb -s /var/tmp/to_scwrl_1735281746.seq -o /var/tmp/from_scwrl_1735281746.pdb > /var/tmp/scwrl_1735281746.log sh: /var/tmp/scwrl_1735281746.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1735281746.pdb or /var/tmp/from_scwrl_1735281746.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1735281746_b.pdb or decoys//var/tmp/from_scwrl_1735281746_b.pdb.gz for input Trying /var/tmp/from_scwrl_1735281746_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1735281746_b.pdb or /var/tmp/from_scwrl_1735281746_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1735281746_a.pdb or decoys//var/tmp/from_scwrl_1735281746_a.pdb.gz for input Trying /var/tmp/from_scwrl_1735281746_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1735281746_a.pdb or /var/tmp/from_scwrl_1735281746_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1735281746.pdb or /var/tmp/from_scwrl_1735281746_b.pdb or /var/tmp/from_scwrl_1735281746_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 # WARNING: incomplete conformation T0317 can't currently be optimized by undertaker # naming current conformation SAM-T99_AL3 # request to SCWRL produces command: ulimit -t 147 ; scwrl3 -i /var/tmp/to_scwrl_707159757.pdb -s /var/tmp/to_scwrl_707159757.seq -o /var/tmp/from_scwrl_707159757.pdb > /var/tmp/scwrl_707159757.log sh: /var/tmp/scwrl_707159757.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_707159757.pdb or /var/tmp/from_scwrl_707159757.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_707159757_b.pdb or decoys//var/tmp/from_scwrl_707159757_b.pdb.gz for input Trying /var/tmp/from_scwrl_707159757_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_707159757_b.pdb or /var/tmp/from_scwrl_707159757_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_707159757_a.pdb or decoys//var/tmp/from_scwrl_707159757_a.pdb.gz for input Trying /var/tmp/from_scwrl_707159757_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_707159757_a.pdb or /var/tmp/from_scwrl_707159757_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_707159757.pdb or /var/tmp/from_scwrl_707159757_b.pdb or /var/tmp/from_scwrl_707159757_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 T0317 can't currently be optimized by undertaker # naming current conformation SAM-T99_AL4 # request to SCWRL produces command: ulimit -t 147 ; scwrl3 -i /var/tmp/to_scwrl_816397711.pdb -s /var/tmp/to_scwrl_816397711.seq -o /var/tmp/from_scwrl_816397711.pdb > /var/tmp/scwrl_816397711.log sh: /var/tmp/scwrl_816397711.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_816397711.pdb or /var/tmp/from_scwrl_816397711.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_816397711_b.pdb or decoys//var/tmp/from_scwrl_816397711_b.pdb.gz for input Trying /var/tmp/from_scwrl_816397711_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_816397711_b.pdb or /var/tmp/from_scwrl_816397711_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_816397711_a.pdb or decoys//var/tmp/from_scwrl_816397711_a.pdb.gz for input Trying /var/tmp/from_scwrl_816397711_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_816397711_a.pdb or /var/tmp/from_scwrl_816397711_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_816397711.pdb or /var/tmp/from_scwrl_816397711_b.pdb or /var/tmp/from_scwrl_816397711_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 T0317 can't currently be optimized by undertaker # naming current conformation SAM-T99_AL5 # request to SCWRL produces command: ulimit -t 147 ; scwrl3 -i /var/tmp/to_scwrl_314909097.pdb -s /var/tmp/to_scwrl_314909097.seq -o /var/tmp/from_scwrl_314909097.pdb > /var/tmp/scwrl_314909097.log sh: /var/tmp/scwrl_314909097.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_314909097.pdb or /var/tmp/from_scwrl_314909097.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_314909097_b.pdb or decoys//var/tmp/from_scwrl_314909097_b.pdb.gz for input Trying /var/tmp/from_scwrl_314909097_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_314909097_b.pdb or /var/tmp/from_scwrl_314909097_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_314909097_a.pdb or decoys//var/tmp/from_scwrl_314909097_a.pdb.gz for input Trying /var/tmp/from_scwrl_314909097_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_314909097_a.pdb or /var/tmp/from_scwrl_314909097_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_314909097.pdb or /var/tmp/from_scwrl_314909097_b.pdb or /var/tmp/from_scwrl_314909097_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 158 # copying to AlignedFragments data structure # naming current conformation SAM_T06_server_TS1 # request to SCWRL produces command: ulimit -t 147 ; scwrl3 -i /var/tmp/to_scwrl_471483870.pdb -s /var/tmp/to_scwrl_471483870.seq -o /var/tmp/from_scwrl_471483870.pdb > /var/tmp/scwrl_471483870.log sh: /var/tmp/scwrl_471483870.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_471483870.pdb or /var/tmp/from_scwrl_471483870.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_471483870_b.pdb or decoys//var/tmp/from_scwrl_471483870_b.pdb.gz for input Trying /var/tmp/from_scwrl_471483870_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_471483870_b.pdb or /var/tmp/from_scwrl_471483870_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_471483870_a.pdb or decoys//var/tmp/from_scwrl_471483870_a.pdb.gz for input Trying /var/tmp/from_scwrl_471483870_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_471483870_a.pdb or /var/tmp/from_scwrl_471483870_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_471483870.pdb or /var/tmp/from_scwrl_471483870_b.pdb or /var/tmp/from_scwrl_471483870_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 T0317 can't currently be optimized by undertaker # naming current conformation SAM_T06_server_TS2 # request to SCWRL produces command: ulimit -t 147 ; scwrl3 -i /var/tmp/to_scwrl_576265048.pdb -s /var/tmp/to_scwrl_576265048.seq -o /var/tmp/from_scwrl_576265048.pdb > /var/tmp/scwrl_576265048.log sh: /var/tmp/scwrl_576265048.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_576265048.pdb or /var/tmp/from_scwrl_576265048.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_576265048_b.pdb or decoys//var/tmp/from_scwrl_576265048_b.pdb.gz for input Trying /var/tmp/from_scwrl_576265048_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_576265048_b.pdb or /var/tmp/from_scwrl_576265048_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_576265048_a.pdb or decoys//var/tmp/from_scwrl_576265048_a.pdb.gz for input Trying /var/tmp/from_scwrl_576265048_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_576265048_a.pdb or /var/tmp/from_scwrl_576265048_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_576265048.pdb or /var/tmp/from_scwrl_576265048_b.pdb or /var/tmp/from_scwrl_576265048_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 T0317 can't currently be optimized by undertaker # naming current conformation SAM_T06_server_TS3 # request to SCWRL produces command: ulimit -t 147 ; scwrl3 -i /var/tmp/to_scwrl_516999921.pdb -s /var/tmp/to_scwrl_516999921.seq -o /var/tmp/from_scwrl_516999921.pdb > /var/tmp/scwrl_516999921.log sh: /var/tmp/scwrl_516999921.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_516999921.pdb or /var/tmp/from_scwrl_516999921.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_516999921_b.pdb or decoys//var/tmp/from_scwrl_516999921_b.pdb.gz for input Trying /var/tmp/from_scwrl_516999921_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_516999921_b.pdb or /var/tmp/from_scwrl_516999921_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_516999921_a.pdb or decoys//var/tmp/from_scwrl_516999921_a.pdb.gz for input Trying /var/tmp/from_scwrl_516999921_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_516999921_a.pdb or /var/tmp/from_scwrl_516999921_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_516999921.pdb or /var/tmp/from_scwrl_516999921_b.pdb or /var/tmp/from_scwrl_516999921_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 T0317 can't currently be optimized by undertaker # naming current conformation SAM_T06_server_TS4 # request to SCWRL produces command: ulimit -t 147 ; scwrl3 -i /var/tmp/to_scwrl_1913403779.pdb -s /var/tmp/to_scwrl_1913403779.seq -o /var/tmp/from_scwrl_1913403779.pdb > /var/tmp/scwrl_1913403779.log sh: /var/tmp/scwrl_1913403779.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1913403779.pdb or /var/tmp/from_scwrl_1913403779.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1913403779_b.pdb or decoys//var/tmp/from_scwrl_1913403779_b.pdb.gz for input Trying /var/tmp/from_scwrl_1913403779_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1913403779_b.pdb or /var/tmp/from_scwrl_1913403779_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1913403779_a.pdb or decoys//var/tmp/from_scwrl_1913403779_a.pdb.gz for input Trying /var/tmp/from_scwrl_1913403779_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1913403779_a.pdb or /var/tmp/from_scwrl_1913403779_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1913403779.pdb or /var/tmp/from_scwrl_1913403779_b.pdb or /var/tmp/from_scwrl_1913403779_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 T0317 can't currently be optimized by undertaker # naming current conformation SAM_T06_server_TS5 # request to SCWRL produces command: ulimit -t 147 ; scwrl3 -i /var/tmp/to_scwrl_1223040147.pdb -s /var/tmp/to_scwrl_1223040147.seq -o /var/tmp/from_scwrl_1223040147.pdb > /var/tmp/scwrl_1223040147.log sh: /var/tmp/scwrl_1223040147.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1223040147.pdb or /var/tmp/from_scwrl_1223040147.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1223040147_b.pdb or decoys//var/tmp/from_scwrl_1223040147_b.pdb.gz for input Trying /var/tmp/from_scwrl_1223040147_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1223040147_b.pdb or /var/tmp/from_scwrl_1223040147_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1223040147_a.pdb or decoys//var/tmp/from_scwrl_1223040147_a.pdb.gz for input Trying /var/tmp/from_scwrl_1223040147_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1223040147_a.pdb or /var/tmp/from_scwrl_1223040147_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1223040147.pdb or /var/tmp/from_scwrl_1223040147_b.pdb or /var/tmp/from_scwrl_1223040147_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 # naming current conformation SP3_TS1 # request to SCWRL produces command: ulimit -t 147 ; scwrl3 -i /var/tmp/to_scwrl_1758988935.pdb -s /var/tmp/to_scwrl_1758988935.seq -o /var/tmp/from_scwrl_1758988935.pdb > /var/tmp/scwrl_1758988935.log sh: /var/tmp/scwrl_1758988935.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1758988935.pdb or /var/tmp/from_scwrl_1758988935.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1758988935_b.pdb or decoys//var/tmp/from_scwrl_1758988935_b.pdb.gz for input Trying /var/tmp/from_scwrl_1758988935_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1758988935_b.pdb or /var/tmp/from_scwrl_1758988935_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1758988935_a.pdb or decoys//var/tmp/from_scwrl_1758988935_a.pdb.gz for input Trying /var/tmp/from_scwrl_1758988935_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1758988935_a.pdb or /var/tmp/from_scwrl_1758988935_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1758988935.pdb or /var/tmp/from_scwrl_1758988935_b.pdb or /var/tmp/from_scwrl_1758988935_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 158 # copying to AlignedFragments data structure # naming current conformation SP3_TS2 # request to SCWRL produces command: ulimit -t 147 ; scwrl3 -i /var/tmp/to_scwrl_1406204509.pdb -s /var/tmp/to_scwrl_1406204509.seq -o /var/tmp/from_scwrl_1406204509.pdb > /var/tmp/scwrl_1406204509.log sh: /var/tmp/scwrl_1406204509.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1406204509.pdb or /var/tmp/from_scwrl_1406204509.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1406204509_b.pdb or decoys//var/tmp/from_scwrl_1406204509_b.pdb.gz for input Trying /var/tmp/from_scwrl_1406204509_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1406204509_b.pdb or /var/tmp/from_scwrl_1406204509_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1406204509_a.pdb or decoys//var/tmp/from_scwrl_1406204509_a.pdb.gz for input Trying /var/tmp/from_scwrl_1406204509_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1406204509_a.pdb or /var/tmp/from_scwrl_1406204509_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1406204509.pdb or /var/tmp/from_scwrl_1406204509_b.pdb or /var/tmp/from_scwrl_1406204509_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 137 # copying to AlignedFragments data structure # naming current conformation SP3_TS3 # request to SCWRL produces command: ulimit -t 147 ; scwrl3 -i /var/tmp/to_scwrl_780118777.pdb -s /var/tmp/to_scwrl_780118777.seq -o /var/tmp/from_scwrl_780118777.pdb > /var/tmp/scwrl_780118777.log sh: /var/tmp/scwrl_780118777.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_780118777.pdb or /var/tmp/from_scwrl_780118777.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_780118777_b.pdb or decoys//var/tmp/from_scwrl_780118777_b.pdb.gz for input Trying /var/tmp/from_scwrl_780118777_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_780118777_b.pdb or /var/tmp/from_scwrl_780118777_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_780118777_a.pdb or decoys//var/tmp/from_scwrl_780118777_a.pdb.gz for input Trying /var/tmp/from_scwrl_780118777_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_780118777_a.pdb or /var/tmp/from_scwrl_780118777_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_780118777.pdb or /var/tmp/from_scwrl_780118777_b.pdb or /var/tmp/from_scwrl_780118777_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 65 # copying to AlignedFragments data structure # naming current conformation SP3_TS4 # request to SCWRL produces command: ulimit -t 147 ; scwrl3 -i /var/tmp/to_scwrl_932687426.pdb -s /var/tmp/to_scwrl_932687426.seq -o /var/tmp/from_scwrl_932687426.pdb > /var/tmp/scwrl_932687426.log sh: /var/tmp/scwrl_932687426.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_932687426.pdb or /var/tmp/from_scwrl_932687426.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_932687426_b.pdb or decoys//var/tmp/from_scwrl_932687426_b.pdb.gz for input Trying /var/tmp/from_scwrl_932687426_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_932687426_b.pdb or /var/tmp/from_scwrl_932687426_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_932687426_a.pdb or decoys//var/tmp/from_scwrl_932687426_a.pdb.gz for input Trying /var/tmp/from_scwrl_932687426_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_932687426_a.pdb or /var/tmp/from_scwrl_932687426_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_932687426.pdb or /var/tmp/from_scwrl_932687426_b.pdb or /var/tmp/from_scwrl_932687426_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 95 # copying to AlignedFragments data structure # naming current conformation SP3_TS5 # request to SCWRL produces command: ulimit -t 147 ; scwrl3 -i /var/tmp/to_scwrl_443184070.pdb -s /var/tmp/to_scwrl_443184070.seq -o /var/tmp/from_scwrl_443184070.pdb > /var/tmp/scwrl_443184070.log sh: /var/tmp/scwrl_443184070.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_443184070.pdb or /var/tmp/from_scwrl_443184070.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_443184070_b.pdb or decoys//var/tmp/from_scwrl_443184070_b.pdb.gz for input Trying /var/tmp/from_scwrl_443184070_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_443184070_b.pdb or /var/tmp/from_scwrl_443184070_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_443184070_a.pdb or decoys//var/tmp/from_scwrl_443184070_a.pdb.gz for input Trying /var/tmp/from_scwrl_443184070_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_443184070_a.pdb or /var/tmp/from_scwrl_443184070_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_443184070.pdb or /var/tmp/from_scwrl_443184070_b.pdb or /var/tmp/from_scwrl_443184070_a.pdb Error: no new SCWRL conformation added # naming current conformation SP3_TS5-scwrl # ReadConformPDB reading from PDB file servers/SP4_TS1.pdb.gz looking for model 1 # Found a chain break before 152 # copying to AlignedFragments data structure # naming current conformation SP4_TS1 # request to SCWRL produces command: ulimit -t 147 ; scwrl3 -i /var/tmp/to_scwrl_608969144.pdb -s /var/tmp/to_scwrl_608969144.seq -o /var/tmp/from_scwrl_608969144.pdb > /var/tmp/scwrl_608969144.log sh: /var/tmp/scwrl_608969144.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_608969144.pdb or /var/tmp/from_scwrl_608969144.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_608969144_b.pdb or decoys//var/tmp/from_scwrl_608969144_b.pdb.gz for input Trying /var/tmp/from_scwrl_608969144_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_608969144_b.pdb or /var/tmp/from_scwrl_608969144_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_608969144_a.pdb or decoys//var/tmp/from_scwrl_608969144_a.pdb.gz for input Trying /var/tmp/from_scwrl_608969144_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_608969144_a.pdb or /var/tmp/from_scwrl_608969144_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_608969144.pdb or /var/tmp/from_scwrl_608969144_b.pdb or /var/tmp/from_scwrl_608969144_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 158 # copying to AlignedFragments data structure # naming current conformation SP4_TS2 # request to SCWRL produces command: ulimit -t 147 ; scwrl3 -i /var/tmp/to_scwrl_827390063.pdb -s /var/tmp/to_scwrl_827390063.seq -o /var/tmp/from_scwrl_827390063.pdb > /var/tmp/scwrl_827390063.log sh: /var/tmp/scwrl_827390063.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_827390063.pdb or /var/tmp/from_scwrl_827390063.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_827390063_b.pdb or decoys//var/tmp/from_scwrl_827390063_b.pdb.gz for input Trying /var/tmp/from_scwrl_827390063_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_827390063_b.pdb or /var/tmp/from_scwrl_827390063_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_827390063_a.pdb or decoys//var/tmp/from_scwrl_827390063_a.pdb.gz for input Trying /var/tmp/from_scwrl_827390063_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_827390063_a.pdb or /var/tmp/from_scwrl_827390063_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_827390063.pdb or /var/tmp/from_scwrl_827390063_b.pdb or /var/tmp/from_scwrl_827390063_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 137 # copying to AlignedFragments data structure # naming current conformation SP4_TS3 # request to SCWRL produces command: ulimit -t 147 ; scwrl3 -i /var/tmp/to_scwrl_40154806.pdb -s /var/tmp/to_scwrl_40154806.seq -o /var/tmp/from_scwrl_40154806.pdb > /var/tmp/scwrl_40154806.log sh: /var/tmp/scwrl_40154806.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_40154806.pdb or /var/tmp/from_scwrl_40154806.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_40154806_b.pdb or decoys//var/tmp/from_scwrl_40154806_b.pdb.gz for input Trying /var/tmp/from_scwrl_40154806_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_40154806_b.pdb or /var/tmp/from_scwrl_40154806_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_40154806_a.pdb or decoys//var/tmp/from_scwrl_40154806_a.pdb.gz for input Trying /var/tmp/from_scwrl_40154806_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_40154806_a.pdb or /var/tmp/from_scwrl_40154806_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_40154806.pdb or /var/tmp/from_scwrl_40154806_b.pdb or /var/tmp/from_scwrl_40154806_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 144 # copying to AlignedFragments data structure # naming current conformation SP4_TS4 # request to SCWRL produces command: ulimit -t 147 ; scwrl3 -i /var/tmp/to_scwrl_554793271.pdb -s /var/tmp/to_scwrl_554793271.seq -o /var/tmp/from_scwrl_554793271.pdb > /var/tmp/scwrl_554793271.log sh: /var/tmp/scwrl_554793271.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_554793271.pdb or /var/tmp/from_scwrl_554793271.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_554793271_b.pdb or decoys//var/tmp/from_scwrl_554793271_b.pdb.gz for input Trying /var/tmp/from_scwrl_554793271_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_554793271_b.pdb or /var/tmp/from_scwrl_554793271_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_554793271_a.pdb or decoys//var/tmp/from_scwrl_554793271_a.pdb.gz for input Trying /var/tmp/from_scwrl_554793271_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_554793271_a.pdb or /var/tmp/from_scwrl_554793271_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_554793271.pdb or /var/tmp/from_scwrl_554793271_b.pdb or /var/tmp/from_scwrl_554793271_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 147 ; scwrl3 -i /var/tmp/to_scwrl_665757596.pdb -s /var/tmp/to_scwrl_665757596.seq -o /var/tmp/from_scwrl_665757596.pdb > /var/tmp/scwrl_665757596.log sh: /var/tmp/scwrl_665757596.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_665757596.pdb or /var/tmp/from_scwrl_665757596.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_665757596_b.pdb or decoys//var/tmp/from_scwrl_665757596_b.pdb.gz for input Trying /var/tmp/from_scwrl_665757596_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_665757596_b.pdb or /var/tmp/from_scwrl_665757596_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_665757596_a.pdb or decoys//var/tmp/from_scwrl_665757596_a.pdb.gz for input Trying /var/tmp/from_scwrl_665757596_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_665757596_a.pdb or /var/tmp/from_scwrl_665757596_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_665757596.pdb or /var/tmp/from_scwrl_665757596_b.pdb or /var/tmp/from_scwrl_665757596_a.pdb Error: no new SCWRL conformation added # naming current conformation SP4_TS5-scwrl # ReadConformPDB reading from PDB file servers/SPARKS2_TS1.pdb.gz looking for model 1 # Found a chain break before 11 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS1 # request to SCWRL produces command: ulimit -t 147 ; scwrl3 -i /var/tmp/to_scwrl_38239291.pdb -s /var/tmp/to_scwrl_38239291.seq -o /var/tmp/from_scwrl_38239291.pdb > /var/tmp/scwrl_38239291.log sh: /var/tmp/scwrl_38239291.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_38239291.pdb or /var/tmp/from_scwrl_38239291.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_38239291_b.pdb or decoys//var/tmp/from_scwrl_38239291_b.pdb.gz for input Trying /var/tmp/from_scwrl_38239291_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_38239291_b.pdb or /var/tmp/from_scwrl_38239291_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_38239291_a.pdb or decoys//var/tmp/from_scwrl_38239291_a.pdb.gz for input Trying /var/tmp/from_scwrl_38239291_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_38239291_a.pdb or /var/tmp/from_scwrl_38239291_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_38239291.pdb or /var/tmp/from_scwrl_38239291_b.pdb or /var/tmp/from_scwrl_38239291_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 152 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS2 # request to SCWRL produces command: ulimit -t 147 ; scwrl3 -i /var/tmp/to_scwrl_664537632.pdb -s /var/tmp/to_scwrl_664537632.seq -o /var/tmp/from_scwrl_664537632.pdb > /var/tmp/scwrl_664537632.log sh: /var/tmp/scwrl_664537632.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_664537632.pdb or /var/tmp/from_scwrl_664537632.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_664537632_b.pdb or decoys//var/tmp/from_scwrl_664537632_b.pdb.gz for input Trying /var/tmp/from_scwrl_664537632_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_664537632_b.pdb or /var/tmp/from_scwrl_664537632_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_664537632_a.pdb or decoys//var/tmp/from_scwrl_664537632_a.pdb.gz for input Trying /var/tmp/from_scwrl_664537632_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_664537632_a.pdb or /var/tmp/from_scwrl_664537632_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_664537632.pdb or /var/tmp/from_scwrl_664537632_b.pdb or /var/tmp/from_scwrl_664537632_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 155 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS3 # request to SCWRL produces command: ulimit -t 147 ; scwrl3 -i /var/tmp/to_scwrl_1522912610.pdb -s /var/tmp/to_scwrl_1522912610.seq -o /var/tmp/from_scwrl_1522912610.pdb > /var/tmp/scwrl_1522912610.log sh: /var/tmp/scwrl_1522912610.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1522912610.pdb or /var/tmp/from_scwrl_1522912610.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1522912610_b.pdb or decoys//var/tmp/from_scwrl_1522912610_b.pdb.gz for input Trying /var/tmp/from_scwrl_1522912610_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1522912610_b.pdb or /var/tmp/from_scwrl_1522912610_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1522912610_a.pdb or decoys//var/tmp/from_scwrl_1522912610_a.pdb.gz for input Trying /var/tmp/from_scwrl_1522912610_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1522912610_a.pdb or /var/tmp/from_scwrl_1522912610_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1522912610.pdb or /var/tmp/from_scwrl_1522912610_b.pdb or /var/tmp/from_scwrl_1522912610_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 145 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS4 # request to SCWRL produces command: ulimit -t 147 ; scwrl3 -i /var/tmp/to_scwrl_740636281.pdb -s /var/tmp/to_scwrl_740636281.seq -o /var/tmp/from_scwrl_740636281.pdb > /var/tmp/scwrl_740636281.log sh: /var/tmp/scwrl_740636281.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_740636281.pdb or /var/tmp/from_scwrl_740636281.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_740636281_b.pdb or decoys//var/tmp/from_scwrl_740636281_b.pdb.gz for input Trying /var/tmp/from_scwrl_740636281_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_740636281_b.pdb or /var/tmp/from_scwrl_740636281_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_740636281_a.pdb or decoys//var/tmp/from_scwrl_740636281_a.pdb.gz for input Trying /var/tmp/from_scwrl_740636281_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_740636281_a.pdb or /var/tmp/from_scwrl_740636281_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_740636281.pdb or /var/tmp/from_scwrl_740636281_b.pdb or /var/tmp/from_scwrl_740636281_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 131 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS5 # request to SCWRL produces command: ulimit -t 147 ; scwrl3 -i /var/tmp/to_scwrl_1006756089.pdb -s /var/tmp/to_scwrl_1006756089.seq -o /var/tmp/from_scwrl_1006756089.pdb > /var/tmp/scwrl_1006756089.log sh: /var/tmp/scwrl_1006756089.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1006756089.pdb or /var/tmp/from_scwrl_1006756089.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1006756089_b.pdb or decoys//var/tmp/from_scwrl_1006756089_b.pdb.gz for input Trying /var/tmp/from_scwrl_1006756089_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1006756089_b.pdb or /var/tmp/from_scwrl_1006756089_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1006756089_a.pdb or decoys//var/tmp/from_scwrl_1006756089_a.pdb.gz for input Trying /var/tmp/from_scwrl_1006756089_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1006756089_a.pdb or /var/tmp/from_scwrl_1006756089_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1006756089.pdb or /var/tmp/from_scwrl_1006756089_b.pdb or /var/tmp/from_scwrl_1006756089_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 T0317 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS1 # request to SCWRL produces command: ulimit -t 147 ; scwrl3 -i /var/tmp/to_scwrl_170304746.pdb -s /var/tmp/to_scwrl_170304746.seq -o /var/tmp/from_scwrl_170304746.pdb > /var/tmp/scwrl_170304746.log sh: /var/tmp/scwrl_170304746.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_170304746.pdb or /var/tmp/from_scwrl_170304746.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_170304746_b.pdb or decoys//var/tmp/from_scwrl_170304746_b.pdb.gz for input Trying /var/tmp/from_scwrl_170304746_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_170304746_b.pdb or /var/tmp/from_scwrl_170304746_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_170304746_a.pdb or decoys//var/tmp/from_scwrl_170304746_a.pdb.gz for input Trying /var/tmp/from_scwrl_170304746_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_170304746_a.pdb or /var/tmp/from_scwrl_170304746_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_170304746.pdb or /var/tmp/from_scwrl_170304746_b.pdb or /var/tmp/from_scwrl_170304746_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 T0317 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS2 # request to SCWRL produces command: ulimit -t 147 ; scwrl3 -i /var/tmp/to_scwrl_1719033406.pdb -s /var/tmp/to_scwrl_1719033406.seq -o /var/tmp/from_scwrl_1719033406.pdb > /var/tmp/scwrl_1719033406.log sh: /var/tmp/scwrl_1719033406.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1719033406.pdb or /var/tmp/from_scwrl_1719033406.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1719033406_b.pdb or decoys//var/tmp/from_scwrl_1719033406_b.pdb.gz for input Trying /var/tmp/from_scwrl_1719033406_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1719033406_b.pdb or /var/tmp/from_scwrl_1719033406_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1719033406_a.pdb or decoys//var/tmp/from_scwrl_1719033406_a.pdb.gz for input Trying /var/tmp/from_scwrl_1719033406_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1719033406_a.pdb or /var/tmp/from_scwrl_1719033406_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1719033406.pdb or /var/tmp/from_scwrl_1719033406_b.pdb or /var/tmp/from_scwrl_1719033406_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 T0317 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS3 # request to SCWRL produces command: ulimit -t 147 ; scwrl3 -i /var/tmp/to_scwrl_1705429462.pdb -s /var/tmp/to_scwrl_1705429462.seq -o /var/tmp/from_scwrl_1705429462.pdb > /var/tmp/scwrl_1705429462.log sh: /var/tmp/scwrl_1705429462.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1705429462.pdb or /var/tmp/from_scwrl_1705429462.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1705429462_b.pdb or decoys//var/tmp/from_scwrl_1705429462_b.pdb.gz for input Trying /var/tmp/from_scwrl_1705429462_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1705429462_b.pdb or /var/tmp/from_scwrl_1705429462_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1705429462_a.pdb or decoys//var/tmp/from_scwrl_1705429462_a.pdb.gz for input Trying /var/tmp/from_scwrl_1705429462_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1705429462_a.pdb or /var/tmp/from_scwrl_1705429462_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1705429462.pdb or /var/tmp/from_scwrl_1705429462_b.pdb or /var/tmp/from_scwrl_1705429462_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 T0317 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS4 # request to SCWRL produces command: ulimit -t 147 ; scwrl3 -i /var/tmp/to_scwrl_266603667.pdb -s /var/tmp/to_scwrl_266603667.seq -o /var/tmp/from_scwrl_266603667.pdb > /var/tmp/scwrl_266603667.log sh: /var/tmp/scwrl_266603667.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_266603667.pdb or /var/tmp/from_scwrl_266603667.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_266603667_b.pdb or decoys//var/tmp/from_scwrl_266603667_b.pdb.gz for input Trying /var/tmp/from_scwrl_266603667_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_266603667_b.pdb or /var/tmp/from_scwrl_266603667_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_266603667_a.pdb or decoys//var/tmp/from_scwrl_266603667_a.pdb.gz for input Trying /var/tmp/from_scwrl_266603667_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_266603667_a.pdb or /var/tmp/from_scwrl_266603667_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_266603667.pdb or /var/tmp/from_scwrl_266603667_b.pdb or /var/tmp/from_scwrl_266603667_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 T0317 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS5 # request to SCWRL produces command: ulimit -t 147 ; scwrl3 -i /var/tmp/to_scwrl_496868576.pdb -s /var/tmp/to_scwrl_496868576.seq -o /var/tmp/from_scwrl_496868576.pdb > /var/tmp/scwrl_496868576.log sh: /var/tmp/scwrl_496868576.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_496868576.pdb or /var/tmp/from_scwrl_496868576.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_496868576_b.pdb or decoys//var/tmp/from_scwrl_496868576_b.pdb.gz for input Trying /var/tmp/from_scwrl_496868576_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_496868576_b.pdb or /var/tmp/from_scwrl_496868576_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_496868576_a.pdb or decoys//var/tmp/from_scwrl_496868576_a.pdb.gz for input Trying /var/tmp/from_scwrl_496868576_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_496868576_a.pdb or /var/tmp/from_scwrl_496868576_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_496868576.pdb or /var/tmp/from_scwrl_496868576_b.pdb or /var/tmp/from_scwrl_496868576_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 T0317 can't currently be optimized by undertaker # naming current conformation UNI-EID_expm_TS1 # request to SCWRL produces command: ulimit -t 147 ; scwrl3 -i /var/tmp/to_scwrl_1143005165.pdb -s /var/tmp/to_scwrl_1143005165.seq -o /var/tmp/from_scwrl_1143005165.pdb > /var/tmp/scwrl_1143005165.log sh: /var/tmp/scwrl_1143005165.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1143005165.pdb or /var/tmp/from_scwrl_1143005165.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1143005165_b.pdb or decoys//var/tmp/from_scwrl_1143005165_b.pdb.gz for input Trying /var/tmp/from_scwrl_1143005165_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1143005165_b.pdb or /var/tmp/from_scwrl_1143005165_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1143005165_a.pdb or decoys//var/tmp/from_scwrl_1143005165_a.pdb.gz for input Trying /var/tmp/from_scwrl_1143005165_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1143005165_a.pdb or /var/tmp/from_scwrl_1143005165_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1143005165.pdb or /var/tmp/from_scwrl_1143005165_b.pdb or /var/tmp/from_scwrl_1143005165_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 T0317 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL1 # request to SCWRL produces command: ulimit -t 147 ; scwrl3 -i /var/tmp/to_scwrl_597996839.pdb -s /var/tmp/to_scwrl_597996839.seq -o /var/tmp/from_scwrl_597996839.pdb > /var/tmp/scwrl_597996839.log sh: /var/tmp/scwrl_597996839.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_597996839.pdb or /var/tmp/from_scwrl_597996839.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_597996839_b.pdb or decoys//var/tmp/from_scwrl_597996839_b.pdb.gz for input Trying /var/tmp/from_scwrl_597996839_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_597996839_b.pdb or /var/tmp/from_scwrl_597996839_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_597996839_a.pdb or decoys//var/tmp/from_scwrl_597996839_a.pdb.gz for input Trying /var/tmp/from_scwrl_597996839_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_597996839_a.pdb or /var/tmp/from_scwrl_597996839_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_597996839.pdb or /var/tmp/from_scwrl_597996839_b.pdb or /var/tmp/from_scwrl_597996839_a.pdb Error: no new SCWRL conformation added # naming current conformation UNI-EID_sfst_AL1-scwrl # ReadConformPDB reading from PDB file servers/UNI-EID_sfst_AL2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0317 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL2 # request to SCWRL produces command: ulimit -t 147 ; scwrl3 -i /var/tmp/to_scwrl_84666675.pdb -s /var/tmp/to_scwrl_84666675.seq -o /var/tmp/from_scwrl_84666675.pdb > /var/tmp/scwrl_84666675.log sh: /var/tmp/scwrl_84666675.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_84666675.pdb or /var/tmp/from_scwrl_84666675.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_84666675_b.pdb or decoys//var/tmp/from_scwrl_84666675_b.pdb.gz for input Trying /var/tmp/from_scwrl_84666675_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_84666675_b.pdb or /var/tmp/from_scwrl_84666675_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_84666675_a.pdb or decoys//var/tmp/from_scwrl_84666675_a.pdb.gz for input Trying /var/tmp/from_scwrl_84666675_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_84666675_a.pdb or /var/tmp/from_scwrl_84666675_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_84666675.pdb or /var/tmp/from_scwrl_84666675_b.pdb or /var/tmp/from_scwrl_84666675_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 T0317 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL3 # request to SCWRL produces command: ulimit -t 147 ; scwrl3 -i /var/tmp/to_scwrl_1850164922.pdb -s /var/tmp/to_scwrl_1850164922.seq -o /var/tmp/from_scwrl_1850164922.pdb > /var/tmp/scwrl_1850164922.log sh: /var/tmp/scwrl_1850164922.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1850164922.pdb or /var/tmp/from_scwrl_1850164922.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1850164922_b.pdb or decoys//var/tmp/from_scwrl_1850164922_b.pdb.gz for input Trying /var/tmp/from_scwrl_1850164922_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1850164922_b.pdb or /var/tmp/from_scwrl_1850164922_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1850164922_a.pdb or decoys//var/tmp/from_scwrl_1850164922_a.pdb.gz for input Trying /var/tmp/from_scwrl_1850164922_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1850164922_a.pdb or /var/tmp/from_scwrl_1850164922_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1850164922.pdb or /var/tmp/from_scwrl_1850164922_b.pdb or /var/tmp/from_scwrl_1850164922_a.pdb Error: no new SCWRL conformation added # naming current conformation UNI-EID_sfst_AL3-scwrl # ReadConformPDB reading from PDB file servers/UNI-EID_sfst_AL4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0317 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL4 # request to SCWRL produces command: ulimit -t 147 ; scwrl3 -i /var/tmp/to_scwrl_1414394550.pdb -s /var/tmp/to_scwrl_1414394550.seq -o /var/tmp/from_scwrl_1414394550.pdb > /var/tmp/scwrl_1414394550.log sh: /var/tmp/scwrl_1414394550.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1414394550.pdb or /var/tmp/from_scwrl_1414394550.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1414394550_b.pdb or decoys//var/tmp/from_scwrl_1414394550_b.pdb.gz for input Trying /var/tmp/from_scwrl_1414394550_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1414394550_b.pdb or /var/tmp/from_scwrl_1414394550_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1414394550_a.pdb or decoys//var/tmp/from_scwrl_1414394550_a.pdb.gz for input Trying /var/tmp/from_scwrl_1414394550_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1414394550_a.pdb or /var/tmp/from_scwrl_1414394550_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1414394550.pdb or /var/tmp/from_scwrl_1414394550_b.pdb or /var/tmp/from_scwrl_1414394550_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 T0317 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL5 # request to SCWRL produces command: ulimit -t 147 ; scwrl3 -i /var/tmp/to_scwrl_399575772.pdb -s /var/tmp/to_scwrl_399575772.seq -o /var/tmp/from_scwrl_399575772.pdb > /var/tmp/scwrl_399575772.log sh: /var/tmp/scwrl_399575772.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_399575772.pdb or /var/tmp/from_scwrl_399575772.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_399575772_b.pdb or decoys//var/tmp/from_scwrl_399575772_b.pdb.gz for input Trying /var/tmp/from_scwrl_399575772_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_399575772_b.pdb or /var/tmp/from_scwrl_399575772_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_399575772_a.pdb or decoys//var/tmp/from_scwrl_399575772_a.pdb.gz for input Trying /var/tmp/from_scwrl_399575772_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_399575772_a.pdb or /var/tmp/from_scwrl_399575772_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_399575772.pdb or /var/tmp/from_scwrl_399575772_b.pdb or /var/tmp/from_scwrl_399575772_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 158 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS1 # request to SCWRL produces command: ulimit -t 147 ; scwrl3 -i /var/tmp/to_scwrl_174165146.pdb -s /var/tmp/to_scwrl_174165146.seq -o /var/tmp/from_scwrl_174165146.pdb > /var/tmp/scwrl_174165146.log sh: /var/tmp/scwrl_174165146.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_174165146.pdb or /var/tmp/from_scwrl_174165146.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_174165146_b.pdb or decoys//var/tmp/from_scwrl_174165146_b.pdb.gz for input Trying /var/tmp/from_scwrl_174165146_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_174165146_b.pdb or /var/tmp/from_scwrl_174165146_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_174165146_a.pdb or decoys//var/tmp/from_scwrl_174165146_a.pdb.gz for input Trying /var/tmp/from_scwrl_174165146_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_174165146_a.pdb or /var/tmp/from_scwrl_174165146_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_174165146.pdb or /var/tmp/from_scwrl_174165146_b.pdb or /var/tmp/from_scwrl_174165146_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 158 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS2 # request to SCWRL produces command: ulimit -t 147 ; scwrl3 -i /var/tmp/to_scwrl_1990659598.pdb -s /var/tmp/to_scwrl_1990659598.seq -o /var/tmp/from_scwrl_1990659598.pdb > /var/tmp/scwrl_1990659598.log sh: /var/tmp/scwrl_1990659598.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1990659598.pdb or /var/tmp/from_scwrl_1990659598.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1990659598_b.pdb or decoys//var/tmp/from_scwrl_1990659598_b.pdb.gz for input Trying /var/tmp/from_scwrl_1990659598_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1990659598_b.pdb or /var/tmp/from_scwrl_1990659598_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1990659598_a.pdb or decoys//var/tmp/from_scwrl_1990659598_a.pdb.gz for input Trying /var/tmp/from_scwrl_1990659598_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1990659598_a.pdb or /var/tmp/from_scwrl_1990659598_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1990659598.pdb or /var/tmp/from_scwrl_1990659598_b.pdb or /var/tmp/from_scwrl_1990659598_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 158 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS3 # request to SCWRL produces command: ulimit -t 147 ; scwrl3 -i /var/tmp/to_scwrl_916575693.pdb -s /var/tmp/to_scwrl_916575693.seq -o /var/tmp/from_scwrl_916575693.pdb > /var/tmp/scwrl_916575693.log sh: /var/tmp/scwrl_916575693.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_916575693.pdb or /var/tmp/from_scwrl_916575693.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_916575693_b.pdb or decoys//var/tmp/from_scwrl_916575693_b.pdb.gz for input Trying /var/tmp/from_scwrl_916575693_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_916575693_b.pdb or /var/tmp/from_scwrl_916575693_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_916575693_a.pdb or decoys//var/tmp/from_scwrl_916575693_a.pdb.gz for input Trying /var/tmp/from_scwrl_916575693_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_916575693_a.pdb or /var/tmp/from_scwrl_916575693_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_916575693.pdb or /var/tmp/from_scwrl_916575693_b.pdb or /var/tmp/from_scwrl_916575693_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 158 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS4 # request to SCWRL produces command: ulimit -t 147 ; scwrl3 -i /var/tmp/to_scwrl_2087568925.pdb -s /var/tmp/to_scwrl_2087568925.seq -o /var/tmp/from_scwrl_2087568925.pdb > /var/tmp/scwrl_2087568925.log sh: /var/tmp/scwrl_2087568925.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_2087568925.pdb or /var/tmp/from_scwrl_2087568925.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2087568925_b.pdb or decoys//var/tmp/from_scwrl_2087568925_b.pdb.gz for input Trying /var/tmp/from_scwrl_2087568925_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_2087568925_b.pdb or /var/tmp/from_scwrl_2087568925_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2087568925_a.pdb or decoys//var/tmp/from_scwrl_2087568925_a.pdb.gz for input Trying /var/tmp/from_scwrl_2087568925_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_2087568925_a.pdb or /var/tmp/from_scwrl_2087568925_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_2087568925.pdb or /var/tmp/from_scwrl_2087568925_b.pdb or /var/tmp/from_scwrl_2087568925_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 159 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS5 # request to SCWRL produces command: ulimit -t 147 ; scwrl3 -i /var/tmp/to_scwrl_1066216099.pdb -s /var/tmp/to_scwrl_1066216099.seq -o /var/tmp/from_scwrl_1066216099.pdb > /var/tmp/scwrl_1066216099.log sh: /var/tmp/scwrl_1066216099.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1066216099.pdb or /var/tmp/from_scwrl_1066216099.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1066216099_b.pdb or decoys//var/tmp/from_scwrl_1066216099_b.pdb.gz for input Trying /var/tmp/from_scwrl_1066216099_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1066216099_b.pdb or /var/tmp/from_scwrl_1066216099_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1066216099_a.pdb or decoys//var/tmp/from_scwrl_1066216099_a.pdb.gz for input Trying /var/tmp/from_scwrl_1066216099_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1066216099_a.pdb or /var/tmp/from_scwrl_1066216099_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1066216099.pdb or /var/tmp/from_scwrl_1066216099_b.pdb or /var/tmp/from_scwrl_1066216099_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 162 # copying to AlignedFragments data structure # naming current conformation beautshot_TS1 # request to SCWRL produces command: ulimit -t 147 ; scwrl3 -i /var/tmp/to_scwrl_528080981.pdb -s /var/tmp/to_scwrl_528080981.seq -o /var/tmp/from_scwrl_528080981.pdb > /var/tmp/scwrl_528080981.log sh: /var/tmp/scwrl_528080981.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_528080981.pdb or /var/tmp/from_scwrl_528080981.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_528080981_b.pdb or decoys//var/tmp/from_scwrl_528080981_b.pdb.gz for input Trying /var/tmp/from_scwrl_528080981_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_528080981_b.pdb or /var/tmp/from_scwrl_528080981_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_528080981_a.pdb or decoys//var/tmp/from_scwrl_528080981_a.pdb.gz for input Trying /var/tmp/from_scwrl_528080981_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_528080981_a.pdb or /var/tmp/from_scwrl_528080981_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_528080981.pdb or /var/tmp/from_scwrl_528080981_b.pdb or /var/tmp/from_scwrl_528080981_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 T0317 can't currently be optimized by undertaker # naming current conformation beautshotbase_TS1 # request to SCWRL produces command: ulimit -t 147 ; scwrl3 -i /var/tmp/to_scwrl_1346289787.pdb -s /var/tmp/to_scwrl_1346289787.seq -o /var/tmp/from_scwrl_1346289787.pdb > /var/tmp/scwrl_1346289787.log sh: /var/tmp/scwrl_1346289787.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1346289787.pdb or /var/tmp/from_scwrl_1346289787.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1346289787_b.pdb or decoys//var/tmp/from_scwrl_1346289787_b.pdb.gz for input Trying /var/tmp/from_scwrl_1346289787_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1346289787_b.pdb or /var/tmp/from_scwrl_1346289787_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1346289787_a.pdb or decoys//var/tmp/from_scwrl_1346289787_a.pdb.gz for input Trying /var/tmp/from_scwrl_1346289787_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1346289787_a.pdb or /var/tmp/from_scwrl_1346289787_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1346289787.pdb or /var/tmp/from_scwrl_1346289787_b.pdb or /var/tmp/from_scwrl_1346289787_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 T0317 can't currently be optimized by undertaker # naming current conformation forecast-s_AL1 # request to SCWRL produces command: ulimit -t 147 ; scwrl3 -i /var/tmp/to_scwrl_1846334875.pdb -s /var/tmp/to_scwrl_1846334875.seq -o /var/tmp/from_scwrl_1846334875.pdb > /var/tmp/scwrl_1846334875.log sh: /var/tmp/scwrl_1846334875.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1846334875.pdb or /var/tmp/from_scwrl_1846334875.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1846334875_b.pdb or decoys//var/tmp/from_scwrl_1846334875_b.pdb.gz for input Trying /var/tmp/from_scwrl_1846334875_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1846334875_b.pdb or /var/tmp/from_scwrl_1846334875_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1846334875_a.pdb or decoys//var/tmp/from_scwrl_1846334875_a.pdb.gz for input Trying /var/tmp/from_scwrl_1846334875_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1846334875_a.pdb or /var/tmp/from_scwrl_1846334875_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1846334875.pdb or /var/tmp/from_scwrl_1846334875_b.pdb or /var/tmp/from_scwrl_1846334875_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 T0317 can't currently be optimized by undertaker # naming current conformation forecast-s_AL2 # request to SCWRL produces command: ulimit -t 147 ; scwrl3 -i /var/tmp/to_scwrl_1460768407.pdb -s /var/tmp/to_scwrl_1460768407.seq -o /var/tmp/from_scwrl_1460768407.pdb > /var/tmp/scwrl_1460768407.log sh: /var/tmp/scwrl_1460768407.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1460768407.pdb or /var/tmp/from_scwrl_1460768407.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1460768407_b.pdb or decoys//var/tmp/from_scwrl_1460768407_b.pdb.gz for input Trying /var/tmp/from_scwrl_1460768407_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1460768407_b.pdb or /var/tmp/from_scwrl_1460768407_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1460768407_a.pdb or decoys//var/tmp/from_scwrl_1460768407_a.pdb.gz for input Trying /var/tmp/from_scwrl_1460768407_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1460768407_a.pdb or /var/tmp/from_scwrl_1460768407_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1460768407.pdb or /var/tmp/from_scwrl_1460768407_b.pdb or /var/tmp/from_scwrl_1460768407_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 Skipped atom 142, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz Skipped atom 144, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz Skipped atom 146, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz Skipped atom 148, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz Skipped atom 438, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz Skipped atom 440, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz Skipped atom 442, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz Skipped atom 444, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz # WARNING: incomplete conformation T0317 can't currently be optimized by undertaker # naming current conformation forecast-s_AL3 # request to SCWRL produces command: ulimit -t 147 ; scwrl3 -i /var/tmp/to_scwrl_1789473858.pdb -s /var/tmp/to_scwrl_1789473858.seq -o /var/tmp/from_scwrl_1789473858.pdb > /var/tmp/scwrl_1789473858.log sh: /var/tmp/scwrl_1789473858.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1789473858.pdb or /var/tmp/from_scwrl_1789473858.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1789473858_b.pdb or decoys//var/tmp/from_scwrl_1789473858_b.pdb.gz for input Trying /var/tmp/from_scwrl_1789473858_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1789473858_b.pdb or /var/tmp/from_scwrl_1789473858_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1789473858_a.pdb or decoys//var/tmp/from_scwrl_1789473858_a.pdb.gz for input Trying /var/tmp/from_scwrl_1789473858_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1789473858_a.pdb or /var/tmp/from_scwrl_1789473858_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1789473858.pdb or /var/tmp/from_scwrl_1789473858_b.pdb or /var/tmp/from_scwrl_1789473858_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 T0317 can't currently be optimized by undertaker # naming current conformation forecast-s_AL4 # request to SCWRL produces command: ulimit -t 147 ; scwrl3 -i /var/tmp/to_scwrl_307820373.pdb -s /var/tmp/to_scwrl_307820373.seq -o /var/tmp/from_scwrl_307820373.pdb > /var/tmp/scwrl_307820373.log sh: /var/tmp/scwrl_307820373.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_307820373.pdb or /var/tmp/from_scwrl_307820373.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_307820373_b.pdb or decoys//var/tmp/from_scwrl_307820373_b.pdb.gz for input Trying /var/tmp/from_scwrl_307820373_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_307820373_b.pdb or /var/tmp/from_scwrl_307820373_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_307820373_a.pdb or decoys//var/tmp/from_scwrl_307820373_a.pdb.gz for input Trying /var/tmp/from_scwrl_307820373_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_307820373_a.pdb or /var/tmp/from_scwrl_307820373_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_307820373.pdb or /var/tmp/from_scwrl_307820373_b.pdb or /var/tmp/from_scwrl_307820373_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 T0317 can't currently be optimized by undertaker # naming current conformation forecast-s_AL5 # request to SCWRL produces command: ulimit -t 147 ; scwrl3 -i /var/tmp/to_scwrl_140674823.pdb -s /var/tmp/to_scwrl_140674823.seq -o /var/tmp/from_scwrl_140674823.pdb > /var/tmp/scwrl_140674823.log sh: /var/tmp/scwrl_140674823.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_140674823.pdb or /var/tmp/from_scwrl_140674823.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_140674823_b.pdb or decoys//var/tmp/from_scwrl_140674823_b.pdb.gz for input Trying /var/tmp/from_scwrl_140674823_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_140674823_b.pdb or /var/tmp/from_scwrl_140674823_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_140674823_a.pdb or decoys//var/tmp/from_scwrl_140674823_a.pdb.gz for input Trying /var/tmp/from_scwrl_140674823_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_140674823_a.pdb or /var/tmp/from_scwrl_140674823_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_140674823.pdb or /var/tmp/from_scwrl_140674823_b.pdb or /var/tmp/from_scwrl_140674823_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 T0317 can't currently be optimized by undertaker # naming current conformation gtg_AL1 # request to SCWRL produces command: ulimit -t 147 ; scwrl3 -i /var/tmp/to_scwrl_1829628664.pdb -s /var/tmp/to_scwrl_1829628664.seq -o /var/tmp/from_scwrl_1829628664.pdb > /var/tmp/scwrl_1829628664.log sh: /var/tmp/scwrl_1829628664.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1829628664.pdb or /var/tmp/from_scwrl_1829628664.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1829628664_b.pdb or decoys//var/tmp/from_scwrl_1829628664_b.pdb.gz for input Trying /var/tmp/from_scwrl_1829628664_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1829628664_b.pdb or /var/tmp/from_scwrl_1829628664_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1829628664_a.pdb or decoys//var/tmp/from_scwrl_1829628664_a.pdb.gz for input Trying /var/tmp/from_scwrl_1829628664_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1829628664_a.pdb or /var/tmp/from_scwrl_1829628664_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1829628664.pdb or /var/tmp/from_scwrl_1829628664_b.pdb or /var/tmp/from_scwrl_1829628664_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 T0317 can't currently be optimized by undertaker # naming current conformation gtg_AL2 # request to SCWRL produces command: ulimit -t 147 ; scwrl3 -i /var/tmp/to_scwrl_862613644.pdb -s /var/tmp/to_scwrl_862613644.seq -o /var/tmp/from_scwrl_862613644.pdb > /var/tmp/scwrl_862613644.log sh: /var/tmp/scwrl_862613644.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_862613644.pdb or /var/tmp/from_scwrl_862613644.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_862613644_b.pdb or decoys//var/tmp/from_scwrl_862613644_b.pdb.gz for input Trying /var/tmp/from_scwrl_862613644_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_862613644_b.pdb or /var/tmp/from_scwrl_862613644_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_862613644_a.pdb or decoys//var/tmp/from_scwrl_862613644_a.pdb.gz for input Trying /var/tmp/from_scwrl_862613644_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_862613644_a.pdb or /var/tmp/from_scwrl_862613644_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_862613644.pdb or /var/tmp/from_scwrl_862613644_b.pdb or /var/tmp/from_scwrl_862613644_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 T0317 can't currently be optimized by undertaker # naming current conformation gtg_AL3 # request to SCWRL produces command: ulimit -t 147 ; scwrl3 -i /var/tmp/to_scwrl_806432419.pdb -s /var/tmp/to_scwrl_806432419.seq -o /var/tmp/from_scwrl_806432419.pdb > /var/tmp/scwrl_806432419.log sh: /var/tmp/scwrl_806432419.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_806432419.pdb or /var/tmp/from_scwrl_806432419.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_806432419_b.pdb or decoys//var/tmp/from_scwrl_806432419_b.pdb.gz for input Trying /var/tmp/from_scwrl_806432419_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_806432419_b.pdb or /var/tmp/from_scwrl_806432419_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_806432419_a.pdb or decoys//var/tmp/from_scwrl_806432419_a.pdb.gz for input Trying /var/tmp/from_scwrl_806432419_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_806432419_a.pdb or /var/tmp/from_scwrl_806432419_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_806432419.pdb or /var/tmp/from_scwrl_806432419_b.pdb or /var/tmp/from_scwrl_806432419_a.pdb Error: no new SCWRL conformation added # naming current conformation gtg_AL3-scwrl # ReadConformPDB reading from PDB file servers/gtg_AL4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0317 can't currently be optimized by undertaker # naming current conformation gtg_AL4 # request to SCWRL produces command: ulimit -t 147 ; scwrl3 -i /var/tmp/to_scwrl_1867867955.pdb -s /var/tmp/to_scwrl_1867867955.seq -o /var/tmp/from_scwrl_1867867955.pdb > /var/tmp/scwrl_1867867955.log sh: /var/tmp/scwrl_1867867955.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1867867955.pdb or /var/tmp/from_scwrl_1867867955.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1867867955_b.pdb or decoys//var/tmp/from_scwrl_1867867955_b.pdb.gz for input Trying /var/tmp/from_scwrl_1867867955_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1867867955_b.pdb or /var/tmp/from_scwrl_1867867955_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1867867955_a.pdb or decoys//var/tmp/from_scwrl_1867867955_a.pdb.gz for input Trying /var/tmp/from_scwrl_1867867955_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1867867955_a.pdb or /var/tmp/from_scwrl_1867867955_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1867867955.pdb or /var/tmp/from_scwrl_1867867955_b.pdb or /var/tmp/from_scwrl_1867867955_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 T0317 can't currently be optimized by undertaker # naming current conformation gtg_AL5 # request to SCWRL produces command: ulimit -t 147 ; scwrl3 -i /var/tmp/to_scwrl_1527151275.pdb -s /var/tmp/to_scwrl_1527151275.seq -o /var/tmp/from_scwrl_1527151275.pdb > /var/tmp/scwrl_1527151275.log sh: /var/tmp/scwrl_1527151275.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1527151275.pdb or /var/tmp/from_scwrl_1527151275.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1527151275_b.pdb or decoys//var/tmp/from_scwrl_1527151275_b.pdb.gz for input Trying /var/tmp/from_scwrl_1527151275_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1527151275_b.pdb or /var/tmp/from_scwrl_1527151275_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1527151275_a.pdb or decoys//var/tmp/from_scwrl_1527151275_a.pdb.gz for input Trying /var/tmp/from_scwrl_1527151275_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1527151275_a.pdb or /var/tmp/from_scwrl_1527151275_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1527151275.pdb or /var/tmp/from_scwrl_1527151275_b.pdb or /var/tmp/from_scwrl_1527151275_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 131 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS1 # request to SCWRL produces command: ulimit -t 147 ; scwrl3 -i /var/tmp/to_scwrl_181861383.pdb -s /var/tmp/to_scwrl_181861383.seq -o /var/tmp/from_scwrl_181861383.pdb > /var/tmp/scwrl_181861383.log sh: /var/tmp/scwrl_181861383.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_181861383.pdb or /var/tmp/from_scwrl_181861383.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_181861383_b.pdb or decoys//var/tmp/from_scwrl_181861383_b.pdb.gz for input Trying /var/tmp/from_scwrl_181861383_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_181861383_b.pdb or /var/tmp/from_scwrl_181861383_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_181861383_a.pdb or decoys//var/tmp/from_scwrl_181861383_a.pdb.gz for input Trying /var/tmp/from_scwrl_181861383_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_181861383_a.pdb or /var/tmp/from_scwrl_181861383_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_181861383.pdb or /var/tmp/from_scwrl_181861383_b.pdb or /var/tmp/from_scwrl_181861383_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 130 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS2 # request to SCWRL produces command: ulimit -t 147 ; scwrl3 -i /var/tmp/to_scwrl_461020589.pdb -s /var/tmp/to_scwrl_461020589.seq -o /var/tmp/from_scwrl_461020589.pdb > /var/tmp/scwrl_461020589.log sh: /var/tmp/scwrl_461020589.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_461020589.pdb or /var/tmp/from_scwrl_461020589.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_461020589_b.pdb or decoys//var/tmp/from_scwrl_461020589_b.pdb.gz for input Trying /var/tmp/from_scwrl_461020589_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_461020589_b.pdb or /var/tmp/from_scwrl_461020589_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_461020589_a.pdb or decoys//var/tmp/from_scwrl_461020589_a.pdb.gz for input Trying /var/tmp/from_scwrl_461020589_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_461020589_a.pdb or /var/tmp/from_scwrl_461020589_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_461020589.pdb or /var/tmp/from_scwrl_461020589_b.pdb or /var/tmp/from_scwrl_461020589_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 # naming current conformation karypis.srv.2_TS3 # request to SCWRL produces command: ulimit -t 147 ; scwrl3 -i /var/tmp/to_scwrl_386423717.pdb -s /var/tmp/to_scwrl_386423717.seq -o /var/tmp/from_scwrl_386423717.pdb > /var/tmp/scwrl_386423717.log sh: /var/tmp/scwrl_386423717.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_386423717.pdb or /var/tmp/from_scwrl_386423717.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_386423717_b.pdb or decoys//var/tmp/from_scwrl_386423717_b.pdb.gz for input Trying /var/tmp/from_scwrl_386423717_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_386423717_b.pdb or /var/tmp/from_scwrl_386423717_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_386423717_a.pdb or decoys//var/tmp/from_scwrl_386423717_a.pdb.gz for input Trying /var/tmp/from_scwrl_386423717_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_386423717_a.pdb or /var/tmp/from_scwrl_386423717_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_386423717.pdb or /var/tmp/from_scwrl_386423717_b.pdb or /var/tmp/from_scwrl_386423717_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 130 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS4 # request to SCWRL produces command: ulimit -t 147 ; scwrl3 -i /var/tmp/to_scwrl_352166129.pdb -s /var/tmp/to_scwrl_352166129.seq -o /var/tmp/from_scwrl_352166129.pdb > /var/tmp/scwrl_352166129.log sh: /var/tmp/scwrl_352166129.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_352166129.pdb or /var/tmp/from_scwrl_352166129.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_352166129_b.pdb or decoys//var/tmp/from_scwrl_352166129_b.pdb.gz for input Trying /var/tmp/from_scwrl_352166129_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_352166129_b.pdb or /var/tmp/from_scwrl_352166129_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_352166129_a.pdb or decoys//var/tmp/from_scwrl_352166129_a.pdb.gz for input Trying /var/tmp/from_scwrl_352166129_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_352166129_a.pdb or /var/tmp/from_scwrl_352166129_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_352166129.pdb or /var/tmp/from_scwrl_352166129_b.pdb or /var/tmp/from_scwrl_352166129_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 # naming current conformation karypis.srv.2_TS5 # request to SCWRL produces command: ulimit -t 147 ; scwrl3 -i /var/tmp/to_scwrl_32570348.pdb -s /var/tmp/to_scwrl_32570348.seq -o /var/tmp/from_scwrl_32570348.pdb > /var/tmp/scwrl_32570348.log sh: /var/tmp/scwrl_32570348.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_32570348.pdb or /var/tmp/from_scwrl_32570348.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_32570348_b.pdb or decoys//var/tmp/from_scwrl_32570348_b.pdb.gz for input Trying /var/tmp/from_scwrl_32570348_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_32570348_b.pdb or /var/tmp/from_scwrl_32570348_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_32570348_a.pdb or decoys//var/tmp/from_scwrl_32570348_a.pdb.gz for input Trying /var/tmp/from_scwrl_32570348_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_32570348_a.pdb or /var/tmp/from_scwrl_32570348_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_32570348.pdb or /var/tmp/from_scwrl_32570348_b.pdb or /var/tmp/from_scwrl_32570348_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 162 # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS1 # request to SCWRL produces command: ulimit -t 147 ; scwrl3 -i /var/tmp/to_scwrl_2091853180.pdb -s /var/tmp/to_scwrl_2091853180.seq -o /var/tmp/from_scwrl_2091853180.pdb > /var/tmp/scwrl_2091853180.log sh: /var/tmp/scwrl_2091853180.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_2091853180.pdb or /var/tmp/from_scwrl_2091853180.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2091853180_b.pdb or decoys//var/tmp/from_scwrl_2091853180_b.pdb.gz for input Trying /var/tmp/from_scwrl_2091853180_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_2091853180_b.pdb or /var/tmp/from_scwrl_2091853180_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2091853180_a.pdb or decoys//var/tmp/from_scwrl_2091853180_a.pdb.gz for input Trying /var/tmp/from_scwrl_2091853180_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_2091853180_a.pdb or /var/tmp/from_scwrl_2091853180_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_2091853180.pdb or /var/tmp/from_scwrl_2091853180_b.pdb or /var/tmp/from_scwrl_2091853180_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 160 # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS2 # request to SCWRL produces command: ulimit -t 147 ; scwrl3 -i /var/tmp/to_scwrl_618769797.pdb -s /var/tmp/to_scwrl_618769797.seq -o /var/tmp/from_scwrl_618769797.pdb > /var/tmp/scwrl_618769797.log sh: /var/tmp/scwrl_618769797.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_618769797.pdb or /var/tmp/from_scwrl_618769797.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_618769797_b.pdb or decoys//var/tmp/from_scwrl_618769797_b.pdb.gz for input Trying /var/tmp/from_scwrl_618769797_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_618769797_b.pdb or /var/tmp/from_scwrl_618769797_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_618769797_a.pdb or decoys//var/tmp/from_scwrl_618769797_a.pdb.gz for input Trying /var/tmp/from_scwrl_618769797_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_618769797_a.pdb or /var/tmp/from_scwrl_618769797_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_618769797.pdb or /var/tmp/from_scwrl_618769797_b.pdb or /var/tmp/from_scwrl_618769797_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 160 # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS3 # request to SCWRL produces command: ulimit -t 147 ; scwrl3 -i /var/tmp/to_scwrl_529438925.pdb -s /var/tmp/to_scwrl_529438925.seq -o /var/tmp/from_scwrl_529438925.pdb > /var/tmp/scwrl_529438925.log sh: /var/tmp/scwrl_529438925.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_529438925.pdb or /var/tmp/from_scwrl_529438925.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_529438925_b.pdb or decoys//var/tmp/from_scwrl_529438925_b.pdb.gz for input Trying /var/tmp/from_scwrl_529438925_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_529438925_b.pdb or /var/tmp/from_scwrl_529438925_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_529438925_a.pdb or decoys//var/tmp/from_scwrl_529438925_a.pdb.gz for input Trying /var/tmp/from_scwrl_529438925_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_529438925_a.pdb or /var/tmp/from_scwrl_529438925_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_529438925.pdb or /var/tmp/from_scwrl_529438925_b.pdb or /var/tmp/from_scwrl_529438925_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 162 # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS4 # request to SCWRL produces command: ulimit -t 147 ; scwrl3 -i /var/tmp/to_scwrl_1087374698.pdb -s /var/tmp/to_scwrl_1087374698.seq -o /var/tmp/from_scwrl_1087374698.pdb > /var/tmp/scwrl_1087374698.log sh: /var/tmp/scwrl_1087374698.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1087374698.pdb or /var/tmp/from_scwrl_1087374698.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1087374698_b.pdb or decoys//var/tmp/from_scwrl_1087374698_b.pdb.gz for input Trying /var/tmp/from_scwrl_1087374698_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1087374698_b.pdb or /var/tmp/from_scwrl_1087374698_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1087374698_a.pdb or decoys//var/tmp/from_scwrl_1087374698_a.pdb.gz for input Trying /var/tmp/from_scwrl_1087374698_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1087374698_a.pdb or /var/tmp/from_scwrl_1087374698_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1087374698.pdb or /var/tmp/from_scwrl_1087374698_b.pdb or /var/tmp/from_scwrl_1087374698_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 159 # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS5 # request to SCWRL produces command: ulimit -t 147 ; scwrl3 -i /var/tmp/to_scwrl_1216766635.pdb -s /var/tmp/to_scwrl_1216766635.seq -o /var/tmp/from_scwrl_1216766635.pdb > /var/tmp/scwrl_1216766635.log sh: /var/tmp/scwrl_1216766635.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1216766635.pdb or /var/tmp/from_scwrl_1216766635.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1216766635_b.pdb or decoys//var/tmp/from_scwrl_1216766635_b.pdb.gz for input Trying /var/tmp/from_scwrl_1216766635_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1216766635_b.pdb or /var/tmp/from_scwrl_1216766635_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1216766635_a.pdb or decoys//var/tmp/from_scwrl_1216766635_a.pdb.gz for input Trying /var/tmp/from_scwrl_1216766635_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1216766635_a.pdb or /var/tmp/from_scwrl_1216766635_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1216766635.pdb or /var/tmp/from_scwrl_1216766635_b.pdb or /var/tmp/from_scwrl_1216766635_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 T0317 can't currently be optimized by undertaker # naming current conformation karypis.srv_TS1 # request to SCWRL produces command: ulimit -t 147 ; scwrl3 -i /var/tmp/to_scwrl_614105600.pdb -s /var/tmp/to_scwrl_614105600.seq -o /var/tmp/from_scwrl_614105600.pdb > /var/tmp/scwrl_614105600.log sh: /var/tmp/scwrl_614105600.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_614105600.pdb or /var/tmp/from_scwrl_614105600.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_614105600_b.pdb or decoys//var/tmp/from_scwrl_614105600_b.pdb.gz for input Trying /var/tmp/from_scwrl_614105600_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_614105600_b.pdb or /var/tmp/from_scwrl_614105600_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_614105600_a.pdb or decoys//var/tmp/from_scwrl_614105600_a.pdb.gz for input Trying /var/tmp/from_scwrl_614105600_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_614105600_a.pdb or /var/tmp/from_scwrl_614105600_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_614105600.pdb or /var/tmp/from_scwrl_614105600_b.pdb or /var/tmp/from_scwrl_614105600_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 T0317 can't currently be optimized by undertaker # naming current conformation karypis.srv_TS2 # request to SCWRL produces command: ulimit -t 147 ; scwrl3 -i /var/tmp/to_scwrl_790055975.pdb -s /var/tmp/to_scwrl_790055975.seq -o /var/tmp/from_scwrl_790055975.pdb > /var/tmp/scwrl_790055975.log sh: /var/tmp/scwrl_790055975.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_790055975.pdb or /var/tmp/from_scwrl_790055975.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_790055975_b.pdb or decoys//var/tmp/from_scwrl_790055975_b.pdb.gz for input Trying /var/tmp/from_scwrl_790055975_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_790055975_b.pdb or /var/tmp/from_scwrl_790055975_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_790055975_a.pdb or decoys//var/tmp/from_scwrl_790055975_a.pdb.gz for input Trying /var/tmp/from_scwrl_790055975_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_790055975_a.pdb or /var/tmp/from_scwrl_790055975_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_790055975.pdb or /var/tmp/from_scwrl_790055975_b.pdb or /var/tmp/from_scwrl_790055975_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 T0317 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation karypis.srv_TS3 # request to SCWRL produces command: ulimit -t 147 ; scwrl3 -i /var/tmp/to_scwrl_483677539.pdb -s /var/tmp/to_scwrl_483677539.seq -o /var/tmp/from_scwrl_483677539.pdb > /var/tmp/scwrl_483677539.log sh: /var/tmp/scwrl_483677539.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_483677539.pdb or /var/tmp/from_scwrl_483677539.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_483677539_b.pdb or decoys//var/tmp/from_scwrl_483677539_b.pdb.gz for input Trying /var/tmp/from_scwrl_483677539_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_483677539_b.pdb or /var/tmp/from_scwrl_483677539_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_483677539_a.pdb or decoys//var/tmp/from_scwrl_483677539_a.pdb.gz for input Trying /var/tmp/from_scwrl_483677539_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_483677539_a.pdb or /var/tmp/from_scwrl_483677539_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_483677539.pdb or /var/tmp/from_scwrl_483677539_b.pdb or /var/tmp/from_scwrl_483677539_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 T0317 can't currently be optimized by undertaker # naming current conformation karypis.srv_TS4 # request to SCWRL produces command: ulimit -t 147 ; scwrl3 -i /var/tmp/to_scwrl_1013681373.pdb -s /var/tmp/to_scwrl_1013681373.seq -o /var/tmp/from_scwrl_1013681373.pdb > /var/tmp/scwrl_1013681373.log sh: /var/tmp/scwrl_1013681373.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1013681373.pdb or /var/tmp/from_scwrl_1013681373.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1013681373_b.pdb or decoys//var/tmp/from_scwrl_1013681373_b.pdb.gz for input Trying /var/tmp/from_scwrl_1013681373_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1013681373_b.pdb or /var/tmp/from_scwrl_1013681373_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1013681373_a.pdb or decoys//var/tmp/from_scwrl_1013681373_a.pdb.gz for input Trying /var/tmp/from_scwrl_1013681373_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1013681373_a.pdb or /var/tmp/from_scwrl_1013681373_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1013681373.pdb or /var/tmp/from_scwrl_1013681373_b.pdb or /var/tmp/from_scwrl_1013681373_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 T0317 can't currently be optimized by undertaker # naming current conformation karypis.srv_TS5 # request to SCWRL produces command: ulimit -t 147 ; scwrl3 -i /var/tmp/to_scwrl_964221121.pdb -s /var/tmp/to_scwrl_964221121.seq -o /var/tmp/from_scwrl_964221121.pdb > /var/tmp/scwrl_964221121.log sh: /var/tmp/scwrl_964221121.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_964221121.pdb or /var/tmp/from_scwrl_964221121.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_964221121_b.pdb or decoys//var/tmp/from_scwrl_964221121_b.pdb.gz for input Trying /var/tmp/from_scwrl_964221121_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_964221121_b.pdb or /var/tmp/from_scwrl_964221121_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_964221121_a.pdb or decoys//var/tmp/from_scwrl_964221121_a.pdb.gz for input Trying /var/tmp/from_scwrl_964221121_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_964221121_a.pdb or /var/tmp/from_scwrl_964221121_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_964221121.pdb or /var/tmp/from_scwrl_964221121_b.pdb or /var/tmp/from_scwrl_964221121_a.pdb Error: no new SCWRL conformation added # naming current conformation karypis.srv_TS5-scwrl # ReadConformPDB reading from PDB file servers/keasar-server_TS2.pdb.gz looking for model 1 # naming current conformation keasar-server_TS2 # request to SCWRL produces command: ulimit -t 147 ; scwrl3 -i /var/tmp/to_scwrl_326853490.pdb -s /var/tmp/to_scwrl_326853490.seq -o /var/tmp/from_scwrl_326853490.pdb > /var/tmp/scwrl_326853490.log sh: /var/tmp/scwrl_326853490.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_326853490.pdb or /var/tmp/from_scwrl_326853490.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_326853490_b.pdb or decoys//var/tmp/from_scwrl_326853490_b.pdb.gz for input Trying /var/tmp/from_scwrl_326853490_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_326853490_b.pdb or /var/tmp/from_scwrl_326853490_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_326853490_a.pdb or decoys//var/tmp/from_scwrl_326853490_a.pdb.gz for input Trying /var/tmp/from_scwrl_326853490_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_326853490_a.pdb or /var/tmp/from_scwrl_326853490_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_326853490.pdb or /var/tmp/from_scwrl_326853490_b.pdb or /var/tmp/from_scwrl_326853490_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 # naming current conformation keasar-server_TS3 # request to SCWRL produces command: ulimit -t 147 ; scwrl3 -i /var/tmp/to_scwrl_1930257065.pdb -s /var/tmp/to_scwrl_1930257065.seq -o /var/tmp/from_scwrl_1930257065.pdb > /var/tmp/scwrl_1930257065.log sh: /var/tmp/scwrl_1930257065.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1930257065.pdb or /var/tmp/from_scwrl_1930257065.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1930257065_b.pdb or decoys//var/tmp/from_scwrl_1930257065_b.pdb.gz for input Trying /var/tmp/from_scwrl_1930257065_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1930257065_b.pdb or /var/tmp/from_scwrl_1930257065_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1930257065_a.pdb or decoys//var/tmp/from_scwrl_1930257065_a.pdb.gz for input Trying /var/tmp/from_scwrl_1930257065_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1930257065_a.pdb or /var/tmp/from_scwrl_1930257065_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1930257065.pdb or /var/tmp/from_scwrl_1930257065_b.pdb or /var/tmp/from_scwrl_1930257065_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 158 # copying to AlignedFragments data structure # naming current conformation keasar-server_TS4 # request to SCWRL produces command: ulimit -t 147 ; scwrl3 -i /var/tmp/to_scwrl_904306399.pdb -s /var/tmp/to_scwrl_904306399.seq -o /var/tmp/from_scwrl_904306399.pdb > /var/tmp/scwrl_904306399.log sh: /var/tmp/scwrl_904306399.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_904306399.pdb or /var/tmp/from_scwrl_904306399.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_904306399_b.pdb or decoys//var/tmp/from_scwrl_904306399_b.pdb.gz for input Trying /var/tmp/from_scwrl_904306399_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_904306399_b.pdb or /var/tmp/from_scwrl_904306399_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_904306399_a.pdb or decoys//var/tmp/from_scwrl_904306399_a.pdb.gz for input Trying /var/tmp/from_scwrl_904306399_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_904306399_a.pdb or /var/tmp/from_scwrl_904306399_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_904306399.pdb or /var/tmp/from_scwrl_904306399_b.pdb or /var/tmp/from_scwrl_904306399_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 155 # copying to AlignedFragments data structure # naming current conformation keasar-server_TS5 # request to SCWRL produces command: ulimit -t 147 ; scwrl3 -i /var/tmp/to_scwrl_1393069588.pdb -s /var/tmp/to_scwrl_1393069588.seq -o /var/tmp/from_scwrl_1393069588.pdb > /var/tmp/scwrl_1393069588.log sh: /var/tmp/scwrl_1393069588.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1393069588.pdb or /var/tmp/from_scwrl_1393069588.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1393069588_b.pdb or decoys//var/tmp/from_scwrl_1393069588_b.pdb.gz for input Trying /var/tmp/from_scwrl_1393069588_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1393069588_b.pdb or /var/tmp/from_scwrl_1393069588_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1393069588_a.pdb or decoys//var/tmp/from_scwrl_1393069588_a.pdb.gz for input Trying /var/tmp/from_scwrl_1393069588_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1393069588_a.pdb or /var/tmp/from_scwrl_1393069588_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1393069588.pdb or /var/tmp/from_scwrl_1393069588_b.pdb or /var/tmp/from_scwrl_1393069588_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 T0317 can't currently be optimized by undertaker # naming current conformation mGen-3D_TS1 # request to SCWRL produces command: ulimit -t 147 ; scwrl3 -i /var/tmp/to_scwrl_310854400.pdb -s /var/tmp/to_scwrl_310854400.seq -o /var/tmp/from_scwrl_310854400.pdb > /var/tmp/scwrl_310854400.log sh: /var/tmp/scwrl_310854400.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_310854400.pdb or /var/tmp/from_scwrl_310854400.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_310854400_b.pdb or decoys//var/tmp/from_scwrl_310854400_b.pdb.gz for input Trying /var/tmp/from_scwrl_310854400_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_310854400_b.pdb or /var/tmp/from_scwrl_310854400_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_310854400_a.pdb or decoys//var/tmp/from_scwrl_310854400_a.pdb.gz for input Trying /var/tmp/from_scwrl_310854400_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_310854400_a.pdb or /var/tmp/from_scwrl_310854400_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_310854400.pdb or /var/tmp/from_scwrl_310854400_b.pdb or /var/tmp/from_scwrl_310854400_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 T0317 can't currently be optimized by undertaker # naming current conformation nFOLD_TS1 # request to SCWRL produces command: ulimit -t 147 ; scwrl3 -i /var/tmp/to_scwrl_103112540.pdb -s /var/tmp/to_scwrl_103112540.seq -o /var/tmp/from_scwrl_103112540.pdb > /var/tmp/scwrl_103112540.log sh: /var/tmp/scwrl_103112540.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_103112540.pdb or /var/tmp/from_scwrl_103112540.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_103112540_b.pdb or decoys//var/tmp/from_scwrl_103112540_b.pdb.gz for input Trying /var/tmp/from_scwrl_103112540_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_103112540_b.pdb or /var/tmp/from_scwrl_103112540_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_103112540_a.pdb or decoys//var/tmp/from_scwrl_103112540_a.pdb.gz for input Trying /var/tmp/from_scwrl_103112540_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_103112540_a.pdb or /var/tmp/from_scwrl_103112540_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_103112540.pdb or /var/tmp/from_scwrl_103112540_b.pdb or /var/tmp/from_scwrl_103112540_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 T0317 can't currently be optimized by undertaker # naming current conformation nFOLD_TS2 # request to SCWRL produces command: ulimit -t 147 ; scwrl3 -i /var/tmp/to_scwrl_1091920817.pdb -s /var/tmp/to_scwrl_1091920817.seq -o /var/tmp/from_scwrl_1091920817.pdb > /var/tmp/scwrl_1091920817.log sh: /var/tmp/scwrl_1091920817.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1091920817.pdb or /var/tmp/from_scwrl_1091920817.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1091920817_b.pdb or decoys//var/tmp/from_scwrl_1091920817_b.pdb.gz for input Trying /var/tmp/from_scwrl_1091920817_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1091920817_b.pdb or /var/tmp/from_scwrl_1091920817_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1091920817_a.pdb or decoys//var/tmp/from_scwrl_1091920817_a.pdb.gz for input Trying /var/tmp/from_scwrl_1091920817_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1091920817_a.pdb or /var/tmp/from_scwrl_1091920817_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1091920817.pdb or /var/tmp/from_scwrl_1091920817_b.pdb or /var/tmp/from_scwrl_1091920817_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 T0317 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation nFOLD_TS3 # request to SCWRL produces command: ulimit -t 147 ; scwrl3 -i /var/tmp/to_scwrl_1771622807.pdb -s /var/tmp/to_scwrl_1771622807.seq -o /var/tmp/from_scwrl_1771622807.pdb > /var/tmp/scwrl_1771622807.log sh: /var/tmp/scwrl_1771622807.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1771622807.pdb or /var/tmp/from_scwrl_1771622807.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1771622807_b.pdb or decoys//var/tmp/from_scwrl_1771622807_b.pdb.gz for input Trying /var/tmp/from_scwrl_1771622807_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1771622807_b.pdb or /var/tmp/from_scwrl_1771622807_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1771622807_a.pdb or decoys//var/tmp/from_scwrl_1771622807_a.pdb.gz for input Trying /var/tmp/from_scwrl_1771622807_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1771622807_a.pdb or /var/tmp/from_scwrl_1771622807_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1771622807.pdb or /var/tmp/from_scwrl_1771622807_b.pdb or /var/tmp/from_scwrl_1771622807_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 T0317 can't currently be optimized by undertaker # naming current conformation nFOLD_TS4 # request to SCWRL produces command: ulimit -t 147 ; scwrl3 -i /var/tmp/to_scwrl_1892586398.pdb -s /var/tmp/to_scwrl_1892586398.seq -o /var/tmp/from_scwrl_1892586398.pdb > /var/tmp/scwrl_1892586398.log sh: /var/tmp/scwrl_1892586398.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1892586398.pdb or /var/tmp/from_scwrl_1892586398.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1892586398_b.pdb or decoys//var/tmp/from_scwrl_1892586398_b.pdb.gz for input Trying /var/tmp/from_scwrl_1892586398_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1892586398_b.pdb or /var/tmp/from_scwrl_1892586398_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1892586398_a.pdb or decoys//var/tmp/from_scwrl_1892586398_a.pdb.gz for input Trying /var/tmp/from_scwrl_1892586398_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1892586398_a.pdb or /var/tmp/from_scwrl_1892586398_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1892586398.pdb or /var/tmp/from_scwrl_1892586398_b.pdb or /var/tmp/from_scwrl_1892586398_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 T0317 can't currently be optimized by undertaker # naming current conformation nFOLD_TS5 # request to SCWRL produces command: ulimit -t 147 ; scwrl3 -i /var/tmp/to_scwrl_1399741190.pdb -s /var/tmp/to_scwrl_1399741190.seq -o /var/tmp/from_scwrl_1399741190.pdb > /var/tmp/scwrl_1399741190.log sh: /var/tmp/scwrl_1399741190.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1399741190.pdb or /var/tmp/from_scwrl_1399741190.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1399741190_b.pdb or decoys//var/tmp/from_scwrl_1399741190_b.pdb.gz for input Trying /var/tmp/from_scwrl_1399741190_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1399741190_b.pdb or /var/tmp/from_scwrl_1399741190_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1399741190_a.pdb or decoys//var/tmp/from_scwrl_1399741190_a.pdb.gz for input Trying /var/tmp/from_scwrl_1399741190_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1399741190_a.pdb or /var/tmp/from_scwrl_1399741190_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1399741190.pdb or /var/tmp/from_scwrl_1399741190_b.pdb or /var/tmp/from_scwrl_1399741190_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 T0317 can't currently be optimized by undertaker # naming current conformation panther2_TS1 # request to SCWRL produces command: ulimit -t 147 ; scwrl3 -i /var/tmp/to_scwrl_1912297630.pdb -s /var/tmp/to_scwrl_1912297630.seq -o /var/tmp/from_scwrl_1912297630.pdb > /var/tmp/scwrl_1912297630.log sh: /var/tmp/scwrl_1912297630.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1912297630.pdb or /var/tmp/from_scwrl_1912297630.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1912297630_b.pdb or decoys//var/tmp/from_scwrl_1912297630_b.pdb.gz for input Trying /var/tmp/from_scwrl_1912297630_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1912297630_b.pdb or /var/tmp/from_scwrl_1912297630_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1912297630_a.pdb or decoys//var/tmp/from_scwrl_1912297630_a.pdb.gz for input Trying /var/tmp/from_scwrl_1912297630_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1912297630_a.pdb or /var/tmp/from_scwrl_1912297630_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1912297630.pdb or /var/tmp/from_scwrl_1912297630_b.pdb or /var/tmp/from_scwrl_1912297630_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 # WARNING: incomplete conformation T0317 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation shub_TS1 # request to SCWRL produces command: ulimit -t 147 ; scwrl3 -i /var/tmp/to_scwrl_1574731415.pdb -s /var/tmp/to_scwrl_1574731415.seq -o /var/tmp/from_scwrl_1574731415.pdb > /var/tmp/scwrl_1574731415.log sh: /var/tmp/scwrl_1574731415.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1574731415.pdb or /var/tmp/from_scwrl_1574731415.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1574731415_b.pdb or decoys//var/tmp/from_scwrl_1574731415_b.pdb.gz for input Trying /var/tmp/from_scwrl_1574731415_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1574731415_b.pdb or /var/tmp/from_scwrl_1574731415_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1574731415_a.pdb or decoys//var/tmp/from_scwrl_1574731415_a.pdb.gz for input Trying /var/tmp/from_scwrl_1574731415_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1574731415_a.pdb or /var/tmp/from_scwrl_1574731415_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1574731415.pdb or /var/tmp/from_scwrl_1574731415_b.pdb or /var/tmp/from_scwrl_1574731415_a.pdb Error: no new SCWRL conformation added # naming current conformation shub_TS1-scwrl # command:CPU_time= 28.113 sec, elapsed time= 33.798 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 50.797 real_cost = -126.951 panther2_TS1-scwrl costs 52.575 real_cost = -97.420 nFOLD_TS5-scwrl costs 75.845 real_cost = 150.317 nFOLD_TS4-scwrl costs 84.001 real_cost = 100.656 nFOLD_TS3-scwrl costs 79.174 real_cost = 171.000 nFOLD_TS2-scwrl costs 53.376 real_cost = -58.939 nFOLD_TS1-scwrl costs 48.735 real_cost = -89.222 mGen-3D_TS1-scwrl costs 55.799 real_cost = -54.280 keasar-server_TS5-scwrl costs 92.270 real_cost = 62.590 keasar-server_TS4-scwrl costs 63.414 real_cost = -43.049 keasar-server_TS3-scwrl costs 53.481 real_cost = -117.726 keasar-server_TS2-scwrl costs 54.461 real_cost = -174.675 karypis.srv_TS5-scwrl costs 66.470 real_cost = 34.794 karypis.srv_TS4-scwrl costs 62.747 real_cost = 61.377 karypis.srv_TS3-scwrl costs 44.342 real_cost = -142.522 karypis.srv_TS2-scwrl costs 41.874 real_cost = -126.392 karypis.srv_TS1-scwrl costs 74.573 real_cost = 36.663 karypis.srv.4_TS5-scwrl costs 125.725 real_cost = 247.840 karypis.srv.4_TS4-scwrl costs 162.232 real_cost = 283.112 karypis.srv.4_TS3-scwrl costs 118.451 real_cost = 233.501 karypis.srv.4_TS2-scwrl costs 135.256 real_cost = 286.462 karypis.srv.4_TS1-scwrl costs 162.574 real_cost = 322.328 karypis.srv.2_TS5-scwrl costs 45.489 real_cost = -138.549 karypis.srv.2_TS4-scwrl costs 45.057 real_cost = -158.150 karypis.srv.2_TS3-scwrl costs 43.134 real_cost = -144.530 karypis.srv.2_TS2-scwrl costs 43.182 real_cost = -171.976 karypis.srv.2_TS1-scwrl costs 42.129 real_cost = -160.202 gtg_AL5-scwrl costs 89.253 real_cost = 258.554 gtg_AL4-scwrl costs 96.022 real_cost = 271.011 gtg_AL3-scwrl costs 88.881 real_cost = 249.374 gtg_AL2-scwrl costs 53.529 real_cost = -20.005 gtg_AL1-scwrl costs 85.205 real_cost = 127.700 forecast-s_AL5-scwrl costs 84.989 real_cost = 213.335 forecast-s_AL4-scwrl costs 73.301 real_cost = 173.869 forecast-s_AL3-scwrl costs 68.785 real_cost = 170.353 forecast-s_AL2-scwrl costs 58.370 real_cost = -42.498 forecast-s_AL1-scwrl costs 52.891 real_cost = -13.082 beautshotbase_TS1-scwrl costs 56.163 real_cost = -153.172 beautshot_TS1-scwrl costs 62.186 real_cost = -122.138 Zhang-Server_TS5-scwrl costs 41.872 real_cost = -151.180 Zhang-Server_TS4-scwrl costs 71.949 real_cost = 49.387 Zhang-Server_TS3-scwrl costs 52.610 real_cost = -151.329 Zhang-Server_TS2-scwrl costs 49.845 real_cost = -154.343 Zhang-Server_TS1-scwrl costs 43.649 real_cost = -147.894 UNI-EID_sfst_AL5-scwrl costs 45.433 real_cost = -97.162 UNI-EID_sfst_AL4-scwrl costs 42.017 real_cost = -97.047 UNI-EID_sfst_AL3-scwrl costs 57.712 real_cost = -77.120 UNI-EID_sfst_AL2-scwrl costs 51.664 real_cost = -10.112 UNI-EID_sfst_AL1-scwrl costs 83.035 real_cost = 130.243 UNI-EID_expm_TS1-scwrl costs 75.784 real_cost = -76.277 UNI-EID_bnmx_TS5-scwrl costs 47.988 real_cost = -55.943 UNI-EID_bnmx_TS4-scwrl costs 44.661 real_cost = -66.983 UNI-EID_bnmx_TS3-scwrl costs 56.754 real_cost = -12.202 UNI-EID_bnmx_TS2-scwrl costs 50.915 real_cost = -16.700 UNI-EID_bnmx_TS1-scwrl costs 81.345 real_cost = 126.746 SPARKS2_TS5-scwrl costs 53.741 real_cost = 19.391 SPARKS2_TS4-scwrl costs 63.535 real_cost = -6.099 SPARKS2_TS3-scwrl costs 46.485 real_cost = -168.214 SPARKS2_TS2-scwrl costs 42.440 real_cost = -159.768 SPARKS2_TS1-scwrl costs 47.446 real_cost = -94.131 SP4_TS5-scwrl costs 55.831 real_cost = -70.654 SP4_TS4-scwrl costs 62.557 real_cost = -26.096 SP4_TS3-scwrl costs 45.128 real_cost = -119.298 SP4_TS2-scwrl costs 48.888 real_cost = -159.393 SP4_TS1-scwrl costs 42.621 real_cost = -140.698 SP3_TS5-scwrl costs 56.647 real_cost = 25.470 SP3_TS4-scwrl costs 52.767 real_cost = 15.873 SP3_TS3-scwrl costs 45.128 real_cost = -119.298 SP3_TS2-scwrl costs 48.888 real_cost = -159.393 SP3_TS1-scwrl costs 43.016 real_cost = -164.942 SAM_T06_server_TS5-scwrl costs 68.530 real_cost = 43.440 SAM_T06_server_TS4-scwrl costs 49.763 real_cost = -93.996 SAM_T06_server_TS3-scwrl costs 46.519 real_cost = -160.637 SAM_T06_server_TS2-scwrl costs 50.391 real_cost = -175.380 SAM_T06_server_TS1-scwrl costs 52.684 real_cost = -126.294 SAM-T99_AL5-scwrl costs 49.423 real_cost = -87.294 SAM-T99_AL4-scwrl costs 50.142 real_cost = -54.716 SAM-T99_AL3-scwrl costs 46.733 real_cost = -66.303 SAM-T99_AL2-scwrl costs 44.592 real_cost = -98.866 SAM-T99_AL1-scwrl costs 85.205 real_cost = 127.700 SAM-T02_AL5-scwrl costs 53.051 real_cost = 3.217 SAM-T02_AL4-scwrl costs 84.001 real_cost = 126.929 SAM-T02_AL3-scwrl costs 49.914 real_cost = -9.405 SAM-T02_AL2-scwrl costs 48.582 real_cost = -83.916 SAM-T02_AL1-scwrl costs 48.221 real_cost = -92.750 ROKKY_TS5-scwrl costs 43.324 real_cost = -126.169 ROKKY_TS4-scwrl costs 40.597 real_cost = -112.466 ROKKY_TS3-scwrl costs 41.953 real_cost = -116.711 ROKKY_TS2-scwrl costs 49.828 real_cost = -156.175 ROKKY_TS1-scwrl costs 74.386 real_cost = 28.250 ROBETTA_TS5-scwrl costs 42.260 real_cost = -124.474 ROBETTA_TS4-scwrl costs 42.515 real_cost = -170.609 ROBETTA_TS3-scwrl costs 43.883 real_cost = -156.980 ROBETTA_TS2-scwrl costs 39.322 real_cost = -158.687 ROBETTA_TS1-scwrl costs 38.738 real_cost = -150.985 RAPTOR_TS5-scwrl costs 44.084 real_cost = -158.616 RAPTOR_TS4-scwrl costs 50.179 real_cost = -148.921 RAPTOR_TS3-scwrl costs 43.264 real_cost = -157.011 RAPTOR_TS2-scwrl costs 45.183 real_cost = -165.284 RAPTOR_TS1-scwrl costs 43.070 real_cost = -112.681 RAPTORESS_TS5-scwrl costs 67.399 real_cost = -131.511 RAPTORESS_TS4-scwrl costs 55.253 real_cost = -151.283 RAPTORESS_TS3-scwrl costs 43.829 real_cost = -128.640 RAPTORESS_TS2-scwrl costs 52.124 real_cost = -151.416 RAPTORESS_TS1-scwrl costs 63.324 real_cost = -59.078 RAPTOR-ACE_TS5-scwrl costs 43.016 real_cost = -164.942 RAPTOR-ACE_TS4-scwrl costs 41.656 real_cost = -147.123 RAPTOR-ACE_TS3-scwrl costs 40.764 real_cost = -136.012 RAPTOR-ACE_TS2-scwrl costs 48.992 real_cost = -155.430 RAPTOR-ACE_TS1-scwrl costs 40.225 real_cost = -157.693 Pmodeller6_TS5-scwrl costs 42.260 real_cost = -124.474 Pmodeller6_TS4-scwrl costs 51.820 real_cost = -108.863 Pmodeller6_TS3-scwrl costs 44.833 real_cost = -72.737 Pmodeller6_TS2-scwrl costs 48.612 real_cost = -214.495 Pmodeller6_TS1-scwrl costs 39.322 real_cost = -158.687 Phyre-2_TS5-scwrl costs 47.959 real_cost = -156.009 Phyre-2_TS4-scwrl costs 47.763 real_cost = -155.742 Phyre-2_TS3-scwrl costs 57.117 real_cost = -152.117 Phyre-2_TS2-scwrl costs 56.502 real_cost = -152.106 Phyre-2_TS1-scwrl costs 48.319 real_cost = -156.261 Phyre-1_TS1-scwrl costs 50.258 real_cost = -67.213 Pcons6_TS5-scwrl costs 46.863 real_cost = -130.551 Pcons6_TS4-scwrl costs 44.630 real_cost = -167.627 Pcons6_TS3-scwrl costs 47.312 real_cost = -106.375 Pcons6_TS2-scwrl costs 45.857 real_cost = -160.740 Pcons6_TS1-scwrl costs 48.612 real_cost = -214.495 PROTINFO_TS5-scwrl costs 51.563 real_cost = -169.147 PROTINFO_TS4-scwrl costs 50.943 real_cost = -135.211 PROTINFO_TS3-scwrl costs 38.206 real_cost = -173.333 PROTINFO_TS2-scwrl costs 45.332 real_cost = -167.086 PROTINFO_TS1-scwrl costs 41.311 real_cost = -155.891 PROTINFO-AB_TS5-scwrl costs 45.626 real_cost = -167.607 PROTINFO-AB_TS4-scwrl costs 53.040 real_cost = -169.593 PROTINFO-AB_TS3-scwrl costs 51.563 real_cost = -169.147 PROTINFO-AB_TS2-scwrl costs 50.787 real_cost = -167.481 PROTINFO-AB_TS1-scwrl costs 49.229 real_cost = -183.056 NN_PUT_lab_TS1-scwrl costs 48.735 real_cost = -89.222 MetaTasser_TS5-scwrl costs 65.877 real_cost = -112.284 MetaTasser_TS4-scwrl costs 108.289 real_cost = -23.176 MetaTasser_TS3-scwrl costs 62.732 real_cost = -109.673 MetaTasser_TS2-scwrl costs 67.678 real_cost = -116.599 MetaTasser_TS1-scwrl costs 71.824 real_cost = -110.741 Ma-OPUS-server_TS5-scwrl costs 74.450 real_cost = 49.453 Ma-OPUS-server_TS4-scwrl costs 56.635 real_cost = 9.207 Ma-OPUS-server_TS3-scwrl costs 43.262 real_cost = -116.614 Ma-OPUS-server_TS2-scwrl costs 40.833 real_cost = -150.892 Ma-OPUS-server_TS1-scwrl costs 44.392 real_cost = -169.990 LOOPP_TS5-scwrl costs 44.661 real_cost = -115.953 LOOPP_TS4-scwrl costs 51.210 real_cost = -53.902 LOOPP_TS3-scwrl costs 77.315 real_cost = 86.815 LOOPP_TS2-scwrl costs 52.377 real_cost = -88.647 LOOPP_TS1-scwrl costs 48.791 real_cost = -154.021 Huber-Torda-Server_TS5-scwrl costs 54.798 real_cost = -20.011 Huber-Torda-Server_TS4-scwrl costs 85.977 real_cost = 103.611 Huber-Torda-Server_TS3-scwrl costs 50.869 real_cost = -64.721 Huber-Torda-Server_TS2-scwrl costs 54.086 real_cost = -38.965 Huber-Torda-Server_TS1-scwrl costs 51.147 real_cost = -53.463 HHpred3_TS1-scwrl costs 68.403 real_cost = 38.451 HHpred2_TS1-scwrl costs 68.403 real_cost = 38.451 HHpred1_TS1-scwrl costs 36.103 real_cost = -164.993 GeneSilicoMetaServer_TS5-scwrl costs 43.564 real_cost = -102.033 GeneSilicoMetaServer_TS4-scwrl costs 44.382 real_cost = -118.979 GeneSilicoMetaServer_TS3-scwrl costs 45.724 real_cost = -155.729 GeneSilicoMetaServer_TS2-scwrl costs 42.434 real_cost = -161.678 GeneSilicoMetaServer_TS1-scwrl costs 42.255 real_cost = -140.632 FUNCTION_TS5-scwrl costs 60.146 real_cost = -150.407 FUNCTION_TS4-scwrl costs 61.303 real_cost = -81.558 FUNCTION_TS3-scwrl costs 56.592 real_cost = -152.628 FUNCTION_TS2-scwrl costs 50.902 real_cost = -166.562 FUNCTION_TS1-scwrl costs 51.578 real_cost = -143.522 FUGUE_AL5-scwrl costs 63.331 real_cost = 129.379 FUGUE_AL4-scwrl costs 69.410 real_cost = 142.063 FUGUE_AL3-scwrl costs 76.139 real_cost = 209.849 FUGUE_AL2-scwrl costs 84.073 real_cost = 144.985 FUGUE_AL1-scwrl costs 52.469 real_cost = -30.428 FUGMOD_TS5-scwrl costs 59.701 real_cost = 6.574 FUGMOD_TS4-scwrl costs 63.587 real_cost = 40.298 FUGMOD_TS3-scwrl costs 71.308 real_cost = 102.114 FUGMOD_TS2-scwrl costs 72.456 real_cost = 34.862 FUGMOD_TS1-scwrl costs 44.536 real_cost = -147.322 FPSOLVER-SERVER_TS5-scwrl costs 122.207 real_cost = 305.737 FPSOLVER-SERVER_TS4-scwrl costs 141.872 real_cost = 306.486 FPSOLVER-SERVER_TS3-scwrl costs 127.975 real_cost = 301.705 FPSOLVER-SERVER_TS2-scwrl costs 119.702 real_cost = 304.866 FPSOLVER-SERVER_TS1-scwrl costs 112.680 real_cost = 286.537 FORTE2_AL5-scwrl costs 81.678 real_cost = 241.122 FORTE2_AL4-scwrl costs 75.678 real_cost = 194.649 FORTE2_AL3-scwrl costs 88.585 real_cost = 266.653 FORTE2_AL2-scwrl costs 86.899 real_cost = 223.006 FORTE2_AL1-scwrl costs 56.056 real_cost = -21.025 FORTE1_AL5-scwrl costs 79.034 real_cost = 174.630 FORTE1_AL4-scwrl costs 86.623 real_cost = 185.764 FORTE1_AL3-scwrl costs 73.346 real_cost = 199.495 FORTE1_AL2-scwrl costs 88.282 real_cost = 265.493 FORTE1_AL1-scwrl costs 56.056 real_cost = -21.025 FOLDpro_TS5-scwrl costs 81.686 real_cost = 188.778 FOLDpro_TS4-scwrl costs 83.285 real_cost = 124.824 FOLDpro_TS3-scwrl costs 79.379 real_cost = 179.365 FOLDpro_TS2-scwrl costs 102.808 real_cost = 219.230 FOLDpro_TS1-scwrl costs 38.272 real_cost = -179.160 FAMS_TS5-scwrl costs 41.957 real_cost = -176.607 FAMS_TS4-scwrl costs 51.233 real_cost = -179.893 FAMS_TS3-scwrl costs 50.496 real_cost = -179.219 FAMS_TS2-scwrl costs 47.427 real_cost = -159.937 FAMS_TS1-scwrl costs 49.943 real_cost = -152.975 FAMSD_TS5-scwrl costs 49.709 real_cost = -93.025 FAMSD_TS4-scwrl costs 41.957 real_cost = -176.607 FAMSD_TS3-scwrl costs 49.751 real_cost = -85.845 FAMSD_TS2-scwrl costs 40.404 real_cost = -155.824 FAMSD_TS1-scwrl costs 52.396 real_cost = -106.111 Distill_TS5-scwrl costs 231.498 real_cost = 320.638 Distill_TS4-scwrl costs 235.801 real_cost = 322.042 Distill_TS3-scwrl costs 228.406 real_cost = 325.617 Distill_TS2-scwrl costs 232.883 real_cost = 313.776 Distill_TS1-scwrl costs 231.730 real_cost = 307.517 CaspIta-FOX_TS5-scwrl costs 81.819 real_cost = 115.052 CaspIta-FOX_TS4-scwrl costs 86.544 real_cost = 104.365 CaspIta-FOX_TS3-scwrl costs 84.001 real_cost = 45.299 CaspIta-FOX_TS2-scwrl costs 53.548 real_cost = -95.170 CaspIta-FOX_TS1-scwrl costs 59.001 real_cost = -57.175 CPHmodels_TS1-scwrl costs 45.052 real_cost = -158.762 CIRCLE_TS5-scwrl costs 51.233 real_cost = -179.893 CIRCLE_TS4-scwrl costs 49.960 real_cost = -177.742 CIRCLE_TS3-scwrl costs 48.534 real_cost = -155.040 CIRCLE_TS2-scwrl costs 50.496 real_cost = -179.219 CIRCLE_TS1-scwrl costs 47.427 real_cost = -159.937 Bilab-ENABLE_TS5-scwrl costs 39.457 real_cost = -131.000 Bilab-ENABLE_TS4-scwrl costs 42.184 real_cost = -151.047 Bilab-ENABLE_TS3-scwrl costs 43.189 real_cost = -150.682 Bilab-ENABLE_TS2-scwrl costs 45.151 real_cost = -140.376 Bilab-ENABLE_TS1-scwrl costs 49.865 real_cost = -164.309 BayesHH_TS1-scwrl costs 68.190 real_cost = 39.492 ABIpro_TS5-scwrl costs 77.444 real_cost = 182.162 ABIpro_TS4-scwrl costs 74.330 real_cost = 183.237 ABIpro_TS3-scwrl costs 65.615 real_cost = 233.372 ABIpro_TS2-scwrl costs 59.544 real_cost = 219.362 ABIpro_TS1-scwrl costs 77.903 real_cost = 193.097 3Dpro_TS5-scwrl costs 103.762 real_cost = 247.086 3Dpro_TS4-scwrl costs 80.052 real_cost = 127.007 3Dpro_TS3-scwrl costs 89.949 real_cost = 132.028 3Dpro_TS2-scwrl costs 100.625 real_cost = 151.475 3Dpro_TS1-scwrl costs 42.166 real_cost = -189.349 3D-JIGSAW_TS5-scwrl costs 79.496 real_cost = 55.754 3D-JIGSAW_TS4-scwrl costs 46.396 real_cost = -139.652 3D-JIGSAW_TS3-scwrl costs 48.201 real_cost = -152.647 3D-JIGSAW_TS2-scwrl costs 49.197 real_cost = -140.571 3D-JIGSAW_TS1-scwrl costs 78.504 real_cost = 72.829 3D-JIGSAW_RECOM_TS5-scwrl costs 60.115 real_cost = -152.530 3D-JIGSAW_RECOM_TS4-scwrl costs 67.697 real_cost = -35.286 3D-JIGSAW_RECOM_TS3-scwrl costs 52.871 real_cost = -117.374 3D-JIGSAW_RECOM_TS2-scwrl costs 48.543 real_cost = -165.614 3D-JIGSAW_RECOM_TS1-scwrl costs 45.512 real_cost = -173.939 3D-JIGSAW_POPULUS_TS5-scwrl costs 48.876 real_cost = -117.752 3D-JIGSAW_POPULUS_TS4-scwrl costs 48.810 real_cost = -119.288 3D-JIGSAW_POPULUS_TS3-scwrl costs 49.184 real_cost = -152.797 3D-JIGSAW_POPULUS_TS2-scwrl costs 39.299 real_cost = -200.226 3D-JIGSAW_POPULUS_TS1-scwrl costs 39.880 real_cost = -200.308 T0317.try2-opt2.repack-nonPC.pdb.gz costs 53.077 real_cost = -176.229 T0317.try2-opt2.pdb.gz costs 53.077 real_cost = -179.925 T0317.try2-opt2.gromacs0.pdb.gz costs 40.853 real_cost = -181.491 T0317.try2-opt1.pdb.gz costs 48.693 real_cost = -179.406 T0317.try2-opt1-scwrl.pdb.gz costs 48.693 real_cost = -182.328 T0317.try1-opt2.repack-nonPC.pdb.gz costs 54.024 real_cost = -182.431 T0317.try1-opt2.pdb.gz costs 54.024 real_cost = -180.503 T0317.try1-opt2.gromacs0.pdb.gz costs 41.020 real_cost = -184.761 T0317.try1-opt1.pdb.gz costs 44.964 real_cost = -174.916 T0317.try1-opt1-scwrl.pdb.gz costs 44.964 real_cost = -175.956 ../model5.ts-submitted costs 54.103 real_cost = -142.012 ../model4.ts-submitted costs 46.446 real_cost = -162.325 ../model3.ts-submitted costs 52.085 real_cost = -180.284 ../model2.ts-submitted costs 54.024 real_cost = -179.580 ../model1.ts-submitted costs 53.077 real_cost = -179.934 align5 costs 75.507 real_cost = 35.354 align4 costs 76.385 real_cost = 15.070 align3 costs 53.108 real_cost = -142.211 align2 costs 46.040 real_cost = -165.577 align1 costs 52.962 real_cost = -180.660 T0317.try1-opt2.pdb costs 54.024 real_cost = -180.511 model5-scwrl costs 54.103 real_cost = -142.012 model4-scwrl costs 46.446 real_cost = -162.325 model3-scwrl costs 52.085 real_cost = -180.284 model2-scwrl costs 54.024 real_cost = -179.580 model1-scwrl costs 53.077 real_cost = -179.933 2hcmA costs 37.432 real_cost = -885.600 # command:CPU_time= 365.040 sec, elapsed time= 370.995 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/T0317'