make[1]: Entering directory `/projects/compbio/experiments/protein-predict/casp7/T0357' /projects/compbio/experiments/protein-predict/casp7/starter-directory/Make.main:725: SECONDARY_TARGET = T0357.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/T0357.} ;\ 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/T0357/ -e s/START_COL/1/ \ -e s/COSTFCN/anglevector/ \ -e s/_domain// \ -e s/read-pdb/read-pdb+servers/ \ -e s/REAL_PDB/2hi6A/ \ < /projects/compbio/experiments/protein-predict/casp7/starter-directory/evaluate.under \ | nice -2 /cse/grads/jarchie/projects/cvs/karplus/undertaker/undertaker # command:# Seed set to 1182835373 # 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= 9.454 sec, elapsed time= 9.586 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= 9.574 sec, elapsed time= 9.728 sec. # command:# Prefix for input files set to # command:# Making conformation for sequence T0357 numbered 1 through 141 Created new target T0357 from T0357.a2m # command:# command:# No conformations to remove in PopConform # command:# cleared Id set # command:# command:2hi6A expands to /projects/compbio/data/pdb/2hi6.pdb.gz 2hi6A: Read 132 residues and 994 atoms. # WARNING: incomplete conformation T0357 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= 13.738 sec, elapsed time= 14.019 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 137 # 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 = -34.280 # GDT_score(maxd=8.000,maxw=2.900)= -33.531 # GDT_score(maxd=8.000,maxw=3.200)= -31.753 # GDT_score(maxd=8.000,maxw=3.500)= -30.052 # GDT_score(maxd=10.000,maxw=3.800)= -32.762 # GDT_score(maxd=10.000,maxw=4.000)= -31.670 # GDT_score(maxd=10.000,maxw=4.200)= -30.651 # GDT_score(maxd=12.000,maxw=4.300)= -33.656 # GDT_score(maxd=12.000,maxw=4.500)= -32.604 # GDT_score(maxd=12.000,maxw=4.700)= -31.594 # GDT_score(maxd=14.000,maxw=5.200)= -32.065 # GDT_score(maxd=14.000,maxw=5.500)= -30.658 # command:# Prefix for output files set to # command:Warning: Couldn't open file T0357.model1-real.pdb for output Error: Couldn't open file T0357.model1-real.pdb for output superimposing iter= 0 total_weight= 1522 rmsd (weighted)= 13.9504 (unweighted)= 15.0691 superimposing iter= 1 total_weight= 3639.41 rmsd (weighted)= 6.51156 (unweighted)= 15.5719 superimposing iter= 2 total_weight= 2075.83 rmsd (weighted)= 4.26506 (unweighted)= 15.9701 superimposing iter= 3 total_weight= 1546.57 rmsd (weighted)= 3.3367 (unweighted)= 16.1606 superimposing iter= 4 total_weight= 1238.69 rmsd (weighted)= 2.95847 (unweighted)= 16.2379 superimposing iter= 5 total_weight= 1067.22 rmsd (weighted)= 2.83507 (unweighted)= 16.2742 EXPDTA model1.ts-submitted MODEL 1 REMARK 44 REMARK 44 model 1 is called model1.ts-submitted ATOM 1 N MET A 1 -14.096 9.240 -3.202 1.00 0.00 ATOM 2 CA MET A 1 -13.746 10.057 -2.003 1.00 0.00 ATOM 3 CB MET A 1 -12.552 8.943 -1.392 1.00 0.00 ATOM 4 CG MET A 1 -11.250 9.321 -2.036 1.00 0.00 ATOM 5 SD MET A 1 -9.941 8.334 -1.380 1.00 0.00 ATOM 6 CE MET A 1 -9.409 9.315 -0.016 1.00 0.00 ATOM 7 O MET A 1 -13.392 12.427 -1.929 1.00 0.00 ATOM 8 C MET A 1 -13.040 11.346 -2.399 1.00 0.00 ATOM 9 N VAL A 2 -12.066 11.231 -3.289 1.00 0.00 ATOM 10 CA VAL A 2 -11.309 12.412 -3.744 1.00 0.00 ATOM 11 CB VAL A 2 -9.846 12.341 -3.243 1.00 0.00 ATOM 12 CG1 VAL A 2 -9.033 13.617 -3.703 1.00 0.00 ATOM 13 CG2 VAL A 2 -9.880 12.336 -1.694 1.00 0.00 ATOM 14 O VAL A 2 -10.901 11.424 -5.937 1.00 0.00 ATOM 15 C VAL A 2 -11.235 12.441 -5.271 1.00 0.00 ATOM 16 N LYS A 3 -11.575 13.577 -5.854 1.00 0.00 ATOM 17 CA LYS A 3 -11.435 13.771 -7.287 1.00 0.00 ATOM 18 CB LYS A 3 -12.223 15.007 -7.732 1.00 0.00 ATOM 19 CG LYS A 3 -13.725 14.893 -7.526 1.00 0.00 ATOM 20 CD LYS A 3 -14.442 16.152 -7.984 1.00 0.00 ATOM 21 CE LYS A 3 -15.944 16.039 -7.779 1.00 0.00 ATOM 22 NZ LYS A 3 -16.665 17.247 -8.266 1.00 0.00 ATOM 23 O LYS A 3 -9.278 14.823 -7.118 1.00 0.00 ATOM 24 C LYS A 3 -9.944 13.907 -7.607 1.00 0.00 ATOM 25 N PHE A 4 -9.472 13.189 -8.539 1.00 0.00 ATOM 26 CA PHE A 4 -8.068 13.256 -8.956 1.00 0.00 ATOM 27 CB PHE A 4 -7.227 12.111 -8.368 1.00 0.00 ATOM 28 CG PHE A 4 -7.461 10.770 -8.986 1.00 0.00 ATOM 29 CD1 PHE A 4 -6.863 10.424 -10.181 1.00 0.00 ATOM 30 CD2 PHE A 4 -8.238 9.825 -8.329 1.00 0.00 ATOM 31 CE1 PHE A 4 -7.054 9.191 -10.735 1.00 0.00 ATOM 32 CE2 PHE A 4 -8.440 8.566 -8.879 1.00 0.00 ATOM 33 CZ PHE A 4 -7.831 8.247 -10.081 1.00 0.00 ATOM 34 O PHE A 4 -8.845 13.215 -11.240 1.00 0.00 ATOM 35 C PHE A 4 -7.960 13.544 -10.449 1.00 0.00 ATOM 36 N ALA A 5 -6.894 14.241 -10.824 1.00 0.00 ATOM 37 CA ALA A 5 -6.672 14.551 -12.230 1.00 0.00 ATOM 38 CB ALA A 5 -7.072 15.986 -12.536 1.00 0.00 ATOM 39 O ALA A 5 -4.310 15.003 -12.071 1.00 0.00 ATOM 40 C ALA A 5 -5.216 14.392 -12.649 1.00 0.00 ATOM 41 N CYS A 6 -4.947 13.651 -13.663 1.00 0.00 ATOM 42 CA CYS A 6 -3.594 13.470 -14.142 1.00 0.00 ATOM 43 CB CYS A 6 -3.355 12.009 -14.535 1.00 0.00 ATOM 44 SG CYS A 6 -3.482 10.838 -13.164 1.00 0.00 ATOM 45 O CYS A 6 -4.206 14.249 -16.329 1.00 0.00 ATOM 46 C CYS A 6 -3.470 14.386 -15.345 1.00 0.00 ATOM 47 N ARG A 7 -2.537 15.329 -15.289 1.00 0.00 ATOM 48 CA ARG A 7 -2.383 16.264 -16.385 1.00 0.00 ATOM 49 CB ARG A 7 -2.548 17.701 -15.890 1.00 0.00 ATOM 50 CG ARG A 7 -2.432 18.751 -16.984 1.00 0.00 ATOM 51 CD ARG A 7 -2.651 20.150 -16.432 1.00 0.00 ATOM 52 NE ARG A 7 -2.521 21.174 -17.466 1.00 0.00 ATOM 53 CZ ARG A 7 -2.758 22.467 -17.271 1.00 0.00 ATOM 54 NH1 ARG A 7 -2.615 23.324 -18.271 1.00 0.00 ATOM 55 NH2 ARG A 7 -3.141 22.899 -16.077 1.00 0.00 ATOM 56 O ARG A 7 0.020 16.308 -16.430 1.00 0.00 ATOM 57 C ARG A 7 -1.029 16.187 -17.067 1.00 0.00 ATOM 58 N ALA A 8 -1.047 16.006 -18.476 1.00 0.00 ATOM 59 CA ALA A 8 0.166 15.910 -19.269 1.00 0.00 ATOM 60 CB ALA A 8 0.176 14.615 -20.068 1.00 0.00 ATOM 61 O ALA A 8 -0.448 17.160 -21.243 1.00 0.00 ATOM 62 C ALA A 8 0.298 17.067 -20.260 1.00 0.00 ATOM 63 N ILE A 9 1.249 17.954 -19.997 1.00 0.00 ATOM 64 CA ILE A 9 1.470 19.077 -20.893 1.00 0.00 ATOM 65 CB ILE A 9 1.935 20.330 -20.127 1.00 0.00 ATOM 66 CG1 ILE A 9 0.904 20.718 -19.064 1.00 0.00 ATOM 67 CG2 ILE A 9 2.110 21.502 -21.082 1.00 0.00 ATOM 68 CD1 ILE A 9 1.379 21.802 -18.122 1.00 0.00 ATOM 69 O ILE A 9 3.738 18.840 -21.653 1.00 0.00 ATOM 70 C ILE A 9 2.547 18.643 -21.878 1.00 0.00 ATOM 71 N THR A 10 2.120 18.047 -22.980 1.00 0.00 ATOM 72 CA THR A 10 3.070 17.584 -23.970 1.00 0.00 ATOM 73 CB THR A 10 2.513 16.315 -24.770 1.00 0.00 ATOM 74 CG2 THR A 10 1.776 15.344 -23.868 1.00 0.00 ATOM 75 OG1 THR A 10 1.645 16.798 -25.798 1.00 0.00 ATOM 76 O THR A 10 3.096 19.782 -24.921 1.00 0.00 ATOM 77 C THR A 10 3.569 18.649 -24.935 1.00 0.00 ATOM 78 N ARG A 11 4.540 18.240 -25.790 1.00 0.00 ATOM 79 CA ARG A 11 5.080 19.182 -26.756 1.00 0.00 ATOM 80 CB ARG A 11 6.396 18.600 -27.310 1.00 0.00 ATOM 81 CG ARG A 11 7.586 18.673 -26.359 1.00 0.00 ATOM 82 CD ARG A 11 8.823 18.035 -26.984 1.00 0.00 ATOM 83 NE ARG A 11 9.986 18.103 -26.100 1.00 0.00 ATOM 84 CZ ARG A 11 10.663 19.214 -25.829 1.00 0.00 ATOM 85 NH1 ARG A 11 10.302 20.366 -26.376 1.00 0.00 ATOM 86 NH2 ARG A 11 11.707 19.172 -25.011 1.00 0.00 ATOM 87 O ARG A 11 4.166 20.646 -28.406 1.00 0.00 ATOM 88 C ARG A 11 4.048 19.584 -27.796 1.00 0.00 ATOM 89 N GLY A 12 3.026 18.663 -28.008 1.00 0.00 ATOM 90 CA GLY A 12 1.993 18.892 -29.013 1.00 0.00 ATOM 91 O GLY A 12 -0.165 19.981 -28.887 1.00 0.00 ATOM 92 C GLY A 12 0.592 19.084 -28.452 1.00 0.00 ATOM 93 N ARG A 13 0.253 18.212 -27.489 1.00 0.00 ATOM 94 CA ARG A 13 -1.018 18.294 -26.826 1.00 0.00 ATOM 95 CB ARG A 13 -1.982 17.178 -27.322 1.00 0.00 ATOM 96 CG ARG A 13 -3.342 17.177 -26.763 1.00 0.00 ATOM 97 CD ARG A 13 -4.274 16.114 -27.233 1.00 0.00 ATOM 98 NE ARG A 13 -4.630 16.192 -28.672 1.00 0.00 ATOM 99 CZ ARG A 13 -4.171 15.404 -29.620 1.00 0.00 ATOM 100 NH1 ARG A 13 -3.225 14.494 -29.404 1.00 0.00 ATOM 101 NH2 ARG A 13 -4.604 15.577 -30.858 1.00 0.00 ATOM 102 O ARG A 13 -0.283 17.379 -24.727 1.00 0.00 ATOM 103 C ARG A 13 -1.048 18.148 -25.307 1.00 0.00 ATOM 104 N ALA A 14 -1.937 18.913 -24.660 1.00 0.00 ATOM 105 CA ALA A 14 -2.100 18.864 -23.214 1.00 0.00 ATOM 106 CB ALA A 14 -2.321 20.294 -22.751 1.00 0.00 ATOM 107 O ALA A 14 -4.363 18.156 -23.546 1.00 0.00 ATOM 108 C ALA A 14 -3.298 17.961 -22.964 1.00 0.00 ATOM 109 N GLU A 15 -3.103 16.937 -22.137 1.00 0.00 ATOM 110 CA GLU A 15 -4.146 15.962 -21.894 1.00 0.00 ATOM 111 CB GLU A 15 -3.743 14.584 -22.420 1.00 0.00 ATOM 112 CG GLU A 15 -3.580 14.522 -23.930 1.00 0.00 ATOM 113 CD GLU A 15 -3.229 13.130 -24.422 1.00 0.00 ATOM 114 OE1 GLU A 15 -3.074 12.225 -23.577 1.00 0.00 ATOM 115 OE2 GLU A 15 -3.114 12.948 -25.653 1.00 0.00 ATOM 116 O GLU A 15 -3.649 15.995 -19.554 1.00 0.00 ATOM 117 C GLU A 15 -4.491 15.790 -20.427 1.00 0.00 ATOM 118 N GLY A 16 -5.826 15.532 -20.130 1.00 0.00 ATOM 119 CA GLY A 16 -6.315 15.325 -18.785 1.00 0.00 ATOM 120 O GLY A 16 -7.631 13.486 -19.533 1.00 0.00 ATOM 121 C GLY A 16 -6.983 13.982 -18.619 1.00 0.00 ATOM 122 N GLU A 17 -6.705 13.292 -17.493 1.00 0.00 ATOM 123 CA GLU A 17 -7.421 12.077 -17.126 1.00 0.00 ATOM 124 CB GLU A 17 -6.560 10.845 -17.448 1.00 0.00 ATOM 125 CG GLU A 17 -6.263 10.690 -18.932 1.00 0.00 ATOM 126 CD GLU A 17 -5.673 9.340 -19.275 1.00 0.00 ATOM 127 OE1 GLU A 17 -6.455 8.408 -19.568 1.00 0.00 ATOM 128 OE2 GLU A 17 -4.438 9.206 -19.240 1.00 0.00 ATOM 129 O GLU A 17 -7.242 12.388 -14.754 1.00 0.00 ATOM 130 C GLU A 17 -7.982 12.329 -15.737 1.00 0.00 ATOM 131 N ALA A 18 -9.387 12.526 -15.789 1.00 0.00 ATOM 132 CA ALA A 18 -10.041 12.740 -14.504 1.00 0.00 ATOM 133 CB ALA A 18 -11.117 13.782 -14.764 1.00 0.00 ATOM 134 O ALA A 18 -11.396 10.744 -14.575 1.00 0.00 ATOM 135 C ALA A 18 -10.667 11.483 -13.906 1.00 0.00 ATOM 136 N LEU A 19 -10.439 11.278 -12.614 1.00 0.00 ATOM 137 CA LEU A 19 -10.997 10.106 -11.933 1.00 0.00 ATOM 138 CB LEU A 19 -9.967 8.983 -11.787 1.00 0.00 ATOM 139 CG LEU A 19 -9.426 8.385 -13.085 1.00 0.00 ATOM 140 CD1 LEU A 19 -8.212 7.511 -12.810 1.00 0.00 ATOM 141 CD2 LEU A 19 -10.483 7.529 -13.765 1.00 0.00 ATOM 142 O LEU A 19 -11.200 11.529 -10.003 1.00 0.00 ATOM 143 C LEU A 19 -11.444 10.436 -10.515 1.00 0.00 ATOM 144 N VAL A 20 -12.096 9.459 -9.895 1.00 0.00 ATOM 145 CA VAL A 20 -12.515 9.543 -8.506 1.00 0.00 ATOM 146 CB VAL A 20 -14.032 9.310 -8.377 1.00 0.00 ATOM 147 CG1 VAL A 20 -14.458 9.359 -6.916 1.00 0.00 ATOM 148 CG2 VAL A 20 -14.802 10.381 -9.138 1.00 0.00 ATOM 149 O VAL A 20 -11.695 7.305 -8.292 1.00 0.00 ATOM 150 C VAL A 20 -11.748 8.436 -7.799 1.00 0.00 ATOM 151 N THR A 21 -11.123 8.752 -6.676 1.00 0.00 ATOM 152 CA THR A 21 -10.431 7.721 -5.924 1.00 0.00 ATOM 153 CB THR A 21 -9.015 8.210 -5.549 1.00 0.00 ATOM 154 CG2 THR A 21 -8.303 7.175 -4.704 1.00 0.00 ATOM 155 OG1 THR A 21 -8.267 8.434 -6.760 1.00 0.00 ATOM 156 O THR A 21 -11.633 8.322 -3.938 1.00 0.00 ATOM 157 C THR A 21 -11.374 7.442 -4.768 1.00 0.00 ATOM 158 N LYS A 22 -11.921 6.314 -4.774 1.00 0.00 ATOM 159 CA LYS A 22 -12.878 5.850 -3.786 1.00 0.00 ATOM 160 CB LYS A 22 -13.980 5.027 -4.453 1.00 0.00 ATOM 161 CG LYS A 22 -15.062 4.549 -3.500 1.00 0.00 ATOM 162 CD LYS A 22 -16.111 3.721 -4.224 1.00 0.00 ATOM 163 CE LYS A 22 -17.183 3.225 -3.264 1.00 0.00 ATOM 164 NZ LYS A 22 -18.230 2.433 -3.966 1.00 0.00 ATOM 165 O LYS A 22 -11.732 3.918 -3.056 1.00 0.00 ATOM 166 C LYS A 22 -12.238 4.967 -2.737 1.00 0.00 ATOM 167 N GLU A 23 -12.243 5.395 -1.471 1.00 0.00 ATOM 168 CA GLU A 23 -11.642 4.638 -0.393 1.00 0.00 ATOM 169 CB GLU A 23 -10.797 5.453 0.588 1.00 0.00 ATOM 170 CG GLU A 23 -9.797 4.581 1.340 1.00 0.00 ATOM 171 CD GLU A 23 -9.090 5.293 2.466 1.00 0.00 ATOM 172 OE1 GLU A 23 -9.066 6.553 2.495 1.00 0.00 ATOM 173 OE2 GLU A 23 -8.537 4.590 3.338 1.00 0.00 ATOM 174 O GLU A 23 -13.575 4.765 1.031 1.00 0.00 ATOM 175 C GLU A 23 -12.701 4.046 0.532 1.00 0.00 ATOM 176 N TYR A 24 -12.615 2.740 0.774 1.00 0.00 ATOM 177 CA TYR A 24 -13.565 2.060 1.646 1.00 0.00 ATOM 178 CB TYR A 24 -14.855 1.741 0.890 1.00 0.00 ATOM 179 CG TYR A 24 -15.960 1.192 1.764 1.00 0.00 ATOM 180 CD1 TYR A 24 -16.609 2.005 2.685 1.00 0.00 ATOM 181 CD2 TYR A 24 -16.349 -0.137 1.668 1.00 0.00 ATOM 182 CE1 TYR A 24 -17.620 1.512 3.487 1.00 0.00 ATOM 183 CE2 TYR A 24 -17.357 -0.649 2.463 1.00 0.00 ATOM 184 CZ TYR A 24 -17.993 0.188 3.379 1.00 0.00 ATOM 185 OH TYR A 24 -18.997 -0.304 4.177 1.00 0.00 ATOM 186 O TYR A 24 -11.759 0.543 2.039 1.00 0.00 ATOM 187 C TYR A 24 -12.963 0.763 2.171 1.00 0.00 ATOM 188 N ILE A 25 -13.649 -0.266 3.224 1.00 0.00 ATOM 189 CA ILE A 25 -13.159 -1.542 3.738 1.00 0.00 ATOM 190 CB ILE A 25 -14.198 -2.216 4.645 1.00 0.00 ATOM 191 CG1 ILE A 25 -14.428 -1.354 5.894 1.00 0.00 ATOM 192 CG2 ILE A 25 -13.722 -3.619 5.038 1.00 0.00 ATOM 193 CD1 ILE A 25 -13.225 -1.237 6.815 1.00 0.00 ATOM 194 O ILE A 25 -11.822 -3.214 2.685 1.00 0.00 ATOM 195 C ILE A 25 -12.725 -2.394 2.554 1.00 0.00 ATOM 196 N SER A 26 -13.365 -2.158 1.381 1.00 0.00 ATOM 197 CA SER A 26 -12.997 -2.944 0.205 1.00 0.00 ATOM 198 CB SER A 26 -14.558 -2.527 -0.640 1.00 0.00 ATOM 199 OG SER A 26 -14.048 -1.620 -1.607 1.00 0.00 ATOM 200 O SER A 26 -11.045 -3.271 -1.171 1.00 0.00 ATOM 201 C SER A 26 -11.606 -2.576 -0.325 1.00 0.00 ATOM 202 N PHE A 27 -10.948 -1.225 -0.096 1.00 0.00 ATOM 203 CA PHE A 27 -9.660 -0.693 -0.502 1.00 0.00 ATOM 204 CB PHE A 27 -9.398 -0.860 -1.840 1.00 0.00 ATOM 205 CG PHE A 27 -10.322 -1.509 -2.812 1.00 0.00 ATOM 206 CD1 PHE A 27 -11.131 -0.761 -3.594 1.00 0.00 ATOM 207 CD2 PHE A 27 -10.363 -2.923 -2.981 1.00 0.00 ATOM 208 CE1 PHE A 27 -11.997 -1.384 -4.500 1.00 0.00 ATOM 209 CE2 PHE A 27 -11.208 -3.536 -3.885 1.00 0.00 ATOM 210 CZ PHE A 27 -12.040 -2.751 -4.644 1.00 0.00 ATOM 211 O PHE A 27 -10.638 1.449 -0.894 1.00 0.00 ATOM 212 C PHE A 27 -9.841 0.583 -1.300 1.00 0.00 ATOM 213 N LEU A 28 -9.063 0.633 -2.532 1.00 0.00 ATOM 214 CA LEU A 28 -9.186 1.825 -3.367 1.00 0.00 ATOM 215 CB LEU A 28 -7.824 2.516 -3.485 1.00 0.00 ATOM 216 CG LEU A 28 -7.748 3.797 -4.311 1.00 0.00 ATOM 217 CD1 LEU A 28 -8.591 4.902 -3.672 1.00 0.00 ATOM 218 CD2 LEU A 28 -6.292 4.216 -4.410 1.00 0.00 ATOM 219 O LEU A 28 -9.255 0.556 -5.404 1.00 0.00 ATOM 220 C LEU A 28 -9.706 1.500 -4.766 1.00 0.00 ATOM 221 N GLY A 29 -10.653 2.300 -5.231 1.00 0.00 ATOM 222 CA GLY A 29 -11.204 2.148 -6.576 1.00 0.00 ATOM 223 O GLY A 29 -11.225 4.525 -6.824 1.00 0.00 ATOM 224 C GLY A 29 -10.945 3.445 -7.341 1.00 0.00 ATOM 225 N GLY A 30 -10.397 3.346 -8.548 1.00 0.00 ATOM 226 CA GLY A 30 -10.170 4.518 -9.401 1.00 0.00 ATOM 227 O GLY A 30 -11.357 3.446 -11.194 1.00 0.00 ATOM 228 C GLY A 30 -11.303 4.435 -10.424 1.00 0.00 ATOM 229 N ILE A 31 -12.186 5.436 -10.425 1.00 0.00 ATOM 230 CA ILE A 31 -13.311 5.415 -11.328 1.00 0.00 ATOM 231 CB ILE A 31 -14.651 5.483 -10.573 1.00 0.00 ATOM 232 CG1 ILE A 31 -14.805 4.272 -9.650 1.00 0.00 ATOM 233 CG2 ILE A 31 -15.815 5.493 -11.550 1.00 0.00 ATOM 234 CD1 ILE A 31 -15.967 4.383 -8.685 1.00 0.00 ATOM 235 O ILE A 31 -12.669 7.635 -11.926 1.00 0.00 ATOM 236 C ILE A 31 -13.194 6.571 -12.337 1.00 0.00 ATOM 237 N ASP A 32 -13.655 6.346 -13.595 1.00 0.00 ATOM 238 CA ASP A 32 -13.700 7.346 -14.631 1.00 0.00 ATOM 239 CB ASP A 32 -14.174 6.692 -15.931 1.00 0.00 ATOM 240 CG ASP A 32 -14.147 7.647 -17.108 1.00 0.00 ATOM 241 OD1 ASP A 32 -13.831 8.838 -16.901 1.00 0.00 ATOM 242 OD2 ASP A 32 -14.441 7.205 -18.238 1.00 0.00 ATOM 243 O ASP A 32 -15.834 8.241 -13.973 1.00 0.00 ATOM 244 C ASP A 32 -14.662 8.477 -14.266 1.00 0.00 ATOM 245 N LYS A 33 -14.149 9.700 -14.248 1.00 0.00 ATOM 246 CA LYS A 33 -14.982 10.844 -13.895 1.00 0.00 ATOM 247 CB LYS A 33 -14.175 12.142 -13.982 1.00 0.00 ATOM 248 CG LYS A 33 -14.956 13.385 -13.589 1.00 0.00 ATOM 249 CD LYS A 33 -14.076 14.624 -13.624 1.00 0.00 ATOM 250 CE LYS A 33 -14.864 15.874 -13.260 1.00 0.00 ATOM 251 NZ LYS A 33 -14.016 17.097 -13.302 1.00 0.00 ATOM 252 O LYS A 33 -17.272 11.381 -14.373 1.00 0.00 ATOM 253 C LYS A 33 -16.186 11.017 -14.817 1.00 0.00 ATOM 254 N GLU A 34 -15.964 10.752 -16.112 1.00 0.00 ATOM 255 CA GLU A 34 -17.012 10.899 -17.113 1.00 0.00 ATOM 256 CB GLU A 34 -16.405 10.912 -18.518 1.00 0.00 ATOM 257 CG GLU A 34 -15.613 12.170 -18.841 1.00 0.00 ATOM 258 CD GLU A 34 -14.912 12.089 -20.181 1.00 0.00 ATOM 259 OE1 GLU A 34 -14.986 11.022 -20.828 1.00 0.00 ATOM 260 OE2 GLU A 34 -14.286 13.091 -20.587 1.00 0.00 ATOM 261 O GLU A 34 -19.328 10.196 -17.214 1.00 0.00 ATOM 262 C GLU A 34 -18.136 9.864 -17.019 1.00 0.00 ATOM 263 N THR A 35 -17.834 8.564 -16.807 1.00 0.00 ATOM 264 CA THR A 35 -18.833 7.477 -16.862 1.00 0.00 ATOM 265 CB THR A 35 -18.282 6.288 -17.672 1.00 0.00 ATOM 266 CG2 THR A 35 -18.008 6.702 -19.109 1.00 0.00 ATOM 267 OG1 THR A 35 -17.060 5.828 -17.081 1.00 0.00 ATOM 268 O THR A 35 -20.300 6.226 -15.451 1.00 0.00 ATOM 269 C THR A 35 -19.234 6.842 -15.545 1.00 0.00 ATOM 270 N GLY A 36 -18.366 6.945 -14.565 1.00 0.00 ATOM 271 CA GLY A 36 -18.642 6.323 -13.286 1.00 0.00 ATOM 272 O GLY A 36 -18.379 4.155 -12.304 1.00 0.00 ATOM 273 C GLY A 36 -18.150 4.881 -13.271 1.00 0.00 ATOM 274 N ILE A 37 -17.451 4.439 -14.319 1.00 0.00 ATOM 275 CA ILE A 37 -17.047 3.047 -14.404 1.00 0.00 ATOM 276 CB ILE A 37 -16.696 2.638 -15.833 1.00 0.00 ATOM 277 CG1 ILE A 37 -17.990 2.533 -16.654 1.00 0.00 ATOM 278 CG2 ILE A 37 -16.072 1.254 -15.837 1.00 0.00 ATOM 279 CD1 ILE A 37 -17.770 2.397 -18.119 1.00 0.00 ATOM 280 O ILE A 37 -14.952 3.708 -13.420 1.00 0.00 ATOM 281 C ILE A 37 -15.838 2.847 -13.488 1.00 0.00 ATOM 282 N VAL A 38 -15.817 1.744 -12.749 1.00 0.00 ATOM 283 CA VAL A 38 -14.677 1.469 -11.880 1.00 0.00 ATOM 284 CB VAL A 38 -15.053 0.491 -10.751 1.00 0.00 ATOM 285 CG1 VAL A 38 -13.838 0.179 -9.892 1.00 0.00 ATOM 286 CG2 VAL A 38 -16.130 1.093 -9.860 1.00 0.00 ATOM 287 O VAL A 38 -13.802 -0.077 -13.510 1.00 0.00 ATOM 288 C VAL A 38 -13.621 0.934 -12.838 1.00 0.00 ATOM 289 N LYS A 39 -12.414 1.628 -12.960 1.00 0.00 ATOM 290 CA LYS A 39 -11.340 1.221 -13.845 1.00 0.00 ATOM 291 CB LYS A 39 -10.728 2.432 -14.552 1.00 0.00 ATOM 292 CG LYS A 39 -11.696 3.170 -15.480 1.00 0.00 ATOM 293 CD LYS A 39 -12.324 2.249 -16.523 1.00 0.00 ATOM 294 CE LYS A 39 -12.856 3.006 -17.742 1.00 0.00 ATOM 295 NZ LYS A 39 -13.880 4.024 -17.394 1.00 0.00 ATOM 296 O LYS A 39 -9.470 -0.305 -13.582 1.00 0.00 ATOM 297 C LYS A 39 -10.234 0.509 -13.051 1.00 0.00 ATOM 298 N GLU A 40 -10.086 0.889 -11.766 1.00 0.00 ATOM 299 CA GLU A 40 -9.040 0.330 -10.946 1.00 0.00 ATOM 300 CB GLU A 40 -7.739 1.171 -11.120 1.00 0.00 ATOM 301 CG GLU A 40 -7.158 1.202 -12.547 1.00 0.00 ATOM 302 CD GLU A 40 -6.573 -0.142 -13.005 1.00 0.00 ATOM 303 OE1 GLU A 40 -6.370 -1.039 -12.158 1.00 0.00 ATOM 304 OE2 GLU A 40 -6.292 -0.292 -14.213 1.00 0.00 ATOM 305 O GLU A 40 -10.356 0.553 -8.960 1.00 0.00 ATOM 306 C GLU A 40 -9.592 -0.150 -9.620 1.00 0.00 ATOM 307 N ASP A 41 -9.192 -1.355 -9.233 1.00 0.00 ATOM 308 CA ASP A 41 -9.635 -1.938 -7.976 1.00 0.00 ATOM 309 CB ASP A 41 -10.445 -3.000 -8.071 1.00 0.00 ATOM 310 CG ASP A 41 -10.730 -3.731 -9.363 1.00 0.00 ATOM 311 OD1 ASP A 41 -10.063 -4.675 -9.755 1.00 0.00 ATOM 312 OD2 ASP A 41 -11.782 -3.266 -10.002 1.00 0.00 ATOM 313 O ASP A 41 -7.555 -3.126 -7.950 1.00 0.00 ATOM 314 C ASP A 41 -8.348 -2.425 -7.326 1.00 0.00 ATOM 315 N CYS A 42 -7.989 -1.977 -6.048 1.00 0.00 ATOM 316 CA CYS A 42 -6.831 -2.431 -5.299 1.00 0.00 ATOM 317 CB CYS A 42 -5.673 -1.413 -5.352 1.00 0.00 ATOM 318 SG CYS A 42 -5.135 -0.944 -6.988 1.00 0.00 ATOM 319 O CYS A 42 -7.503 -1.812 -3.080 1.00 0.00 ATOM 320 C CYS A 42 -7.197 -2.727 -3.851 1.00 0.00 ATOM 321 N GLU A 43 -7.119 -4.060 -3.410 1.00 0.00 ATOM 322 CA GLU A 43 -7.444 -4.504 -2.051 1.00 0.00 ATOM 323 CB GLU A 43 -7.912 -3.241 -1.233 1.00 0.00 ATOM 324 CG GLU A 43 -8.009 -3.494 0.257 1.00 0.00 ATOM 325 CD GLU A 43 -6.669 -3.578 0.976 1.00 0.00 ATOM 326 OE1 GLU A 43 -5.599 -3.331 0.354 1.00 0.00 ATOM 327 OE2 GLU A 43 -6.702 -3.898 2.201 1.00 0.00 ATOM 328 O GLU A 43 -8.224 -6.529 -1.050 1.00 0.00 ATOM 329 C GLU A 43 -7.839 -5.979 -2.077 1.00 0.00 ATOM 330 N ILE A 44 -7.818 -6.627 -3.214 1.00 0.00 ATOM 331 CA ILE A 44 -8.327 -7.993 -3.267 1.00 0.00 ATOM 332 CB ILE A 44 -9.273 -8.244 -4.494 1.00 0.00 ATOM 333 CG1 ILE A 44 -8.508 -8.146 -5.822 1.00 0.00 ATOM 334 CG2 ILE A 44 -10.459 -7.293 -4.462 1.00 0.00 ATOM 335 CD1 ILE A 44 -9.224 -8.760 -7.027 1.00 0.00 ATOM 336 O ILE A 44 -6.045 -8.587 -3.479 1.00 0.00 ATOM 337 C ILE A 44 -7.199 -8.986 -3.478 1.00 0.00 ATOM 338 N LYS A 45 -7.591 -10.285 -3.702 1.00 0.00 ATOM 339 CA LYS A 45 -6.510 -11.260 -3.896 1.00 0.00 ATOM 340 CB LYS A 45 -7.432 -12.637 -4.231 1.00 0.00 ATOM 341 CG LYS A 45 -7.905 -12.449 -5.658 1.00 0.00 ATOM 342 CD LYS A 45 -8.841 -13.569 -6.090 1.00 0.00 ATOM 343 CE LYS A 45 -9.419 -13.284 -7.468 1.00 0.00 ATOM 344 NZ LYS A 45 -10.357 -14.349 -7.918 1.00 0.00 ATOM 345 O LYS A 45 -4.666 -10.987 -5.379 1.00 0.00 ATOM 346 C LYS A 45 -5.781 -10.610 -5.041 1.00 0.00 ATOM 347 N GLY A 46 -6.379 -9.359 -5.870 1.00 0.00 ATOM 348 CA GLY A 46 -5.729 -8.648 -6.934 1.00 0.00 ATOM 349 O GLY A 46 -3.659 -7.509 -7.327 1.00 0.00 ATOM 350 C GLY A 46 -4.455 -7.942 -6.489 1.00 0.00 ATOM 351 N GLU A 47 -4.230 -7.875 -5.179 1.00 0.00 ATOM 352 CA GLU A 47 -2.989 -7.329 -4.643 1.00 0.00 ATOM 353 CB GLU A 47 -3.167 -7.211 -3.086 1.00 0.00 ATOM 354 CG GLU A 47 -4.444 -6.507 -2.649 1.00 0.00 ATOM 355 CD GLU A 47 -4.576 -6.414 -1.136 1.00 0.00 ATOM 356 OE1 GLU A 47 -4.556 -7.471 -0.471 1.00 0.00 ATOM 357 OE2 GLU A 47 -4.698 -5.286 -0.615 1.00 0.00 ATOM 358 O GLU A 47 -0.726 -7.458 -5.429 1.00 0.00 ATOM 359 C GLU A 47 -1.748 -8.079 -5.137 1.00 0.00 ATOM 360 N SER A 48 -1.853 -9.404 -5.298 1.00 0.00 ATOM 361 CA SER A 48 -0.726 -10.180 -5.821 1.00 0.00 ATOM 362 CB SER A 48 -0.997 -11.644 -5.887 1.00 0.00 ATOM 363 OG SER A 48 -2.243 -11.946 -6.503 1.00 0.00 ATOM 364 O SER A 48 0.759 -9.588 -7.622 1.00 0.00 ATOM 365 C SER A 48 -0.399 -9.790 -7.269 1.00 0.00 ATOM 366 N VAL A 49 -1.429 -9.621 -8.093 1.00 0.00 ATOM 367 CA VAL A 49 -1.215 -9.232 -9.477 1.00 0.00 ATOM 368 CB VAL A 49 -2.483 -9.100 -10.264 1.00 0.00 ATOM 369 CG1 VAL A 49 -2.263 -8.564 -11.670 1.00 0.00 ATOM 370 CG2 VAL A 49 -3.147 -10.501 -10.341 1.00 0.00 ATOM 371 O VAL A 49 0.293 -7.549 -10.320 1.00 0.00 ATOM 372 C VAL A 49 -0.579 -7.846 -9.505 1.00 0.00 ATOM 373 N ALA A 50 1.134 -9.532 -10.310 1.00 0.00 ATOM 374 CA ALA A 50 2.585 -9.245 -10.424 1.00 0.00 ATOM 375 CB ALA A 50 2.923 -9.655 -11.924 1.00 0.00 ATOM 376 O ALA A 50 2.845 -7.269 -9.100 1.00 0.00 ATOM 377 C ALA A 50 2.993 -7.795 -10.199 1.00 0.00 ATOM 378 N GLY A 51 3.608 -7.168 -11.178 1.00 0.00 ATOM 379 CA GLY A 51 4.076 -5.801 -11.059 1.00 0.00 ATOM 380 O GLY A 51 2.354 -4.165 -11.261 1.00 0.00 ATOM 381 C GLY A 51 2.976 -4.920 -10.508 1.00 0.00 ATOM 382 N ARG A 52 2.880 -5.036 -9.083 1.00 0.00 ATOM 383 CA ARG A 52 1.783 -4.307 -8.460 1.00 0.00 ATOM 384 CB ARG A 52 0.587 -4.732 -8.268 1.00 0.00 ATOM 385 CG ARG A 52 -0.157 -4.231 -9.522 1.00 0.00 ATOM 386 CD ARG A 52 -1.555 -4.843 -9.678 1.00 0.00 ATOM 387 NE ARG A 52 -2.482 -4.360 -8.672 1.00 0.00 ATOM 388 CZ ARG A 52 -3.730 -4.788 -8.541 1.00 0.00 ATOM 389 NH1 ARG A 52 -4.204 -5.733 -9.352 1.00 0.00 ATOM 390 NH2 ARG A 52 -4.519 -4.232 -7.630 1.00 0.00 ATOM 391 O ARG A 52 2.964 -3.672 -6.467 1.00 0.00 ATOM 392 C ARG A 52 2.087 -3.389 -7.289 1.00 0.00 ATOM 393 N ILE A 53 1.418 -2.239 -7.283 1.00 0.00 ATOM 394 CA ILE A 53 1.549 -1.266 -6.209 1.00 0.00 ATOM 395 CB ILE A 53 1.796 0.150 -6.764 1.00 0.00 ATOM 396 CG1 ILE A 53 3.002 0.151 -7.704 1.00 0.00 ATOM 397 CG2 ILE A 53 2.069 1.128 -5.630 1.00 0.00 ATOM 398 CD1 ILE A 53 4.290 -0.292 -7.047 1.00 0.00 ATOM 399 O ILE A 53 -0.858 -1.285 -6.128 1.00 0.00 ATOM 400 C ILE A 53 0.214 -1.463 -5.525 1.00 0.00 ATOM 401 N LEU A 54 0.241 -1.934 -4.268 1.00 0.00 ATOM 402 CA LEU A 54 -0.971 -2.153 -3.504 1.00 0.00 ATOM 403 CB LEU A 54 -0.773 -3.268 -2.463 1.00 0.00 ATOM 404 CG LEU A 54 -0.014 -4.517 -2.922 1.00 0.00 ATOM 405 CD1 LEU A 54 0.065 -5.500 -1.768 1.00 0.00 ATOM 406 CD2 LEU A 54 -0.703 -5.146 -4.118 1.00 0.00 ATOM 407 O LEU A 54 -0.553 -0.313 -2.027 1.00 0.00 ATOM 408 C LEU A 54 -1.374 -0.902 -2.743 1.00 0.00 ATOM 409 N VAL A 55 -2.640 -0.527 -2.849 1.00 0.00 ATOM 410 CA VAL A 55 -3.171 0.636 -2.147 1.00 0.00 ATOM 411 CB VAL A 55 -4.137 1.458 -3.022 1.00 0.00 ATOM 412 CG1 VAL A 55 -4.701 2.629 -2.236 1.00 0.00 ATOM 413 CG2 VAL A 55 -3.415 2.002 -4.244 1.00 0.00 ATOM 414 O VAL A 55 -4.901 -0.563 -1.016 1.00 0.00 ATOM 415 C VAL A 55 -3.906 0.144 -0.905 1.00 0.00 ATOM 416 N PHE A 56 -3.442 0.557 0.274 1.00 0.00 ATOM 417 CA PHE A 56 -4.047 0.104 1.526 1.00 0.00 ATOM 418 CB PHE A 56 -2.977 -0.735 2.293 1.00 0.00 ATOM 419 CG PHE A 56 -3.444 -1.383 3.568 1.00 0.00 ATOM 420 CD1 PHE A 56 -3.485 -0.663 4.758 1.00 0.00 ATOM 421 CD2 PHE A 56 -3.810 -2.728 3.584 1.00 0.00 ATOM 422 CE1 PHE A 56 -3.877 -1.272 5.945 1.00 0.00 ATOM 423 CE2 PHE A 56 -4.205 -3.350 4.766 1.00 0.00 ATOM 424 CZ PHE A 56 -4.238 -2.619 5.952 1.00 0.00 ATOM 425 O PHE A 56 -4.123 2.139 2.849 1.00 0.00 ATOM 426 C PHE A 56 -4.739 1.188 2.352 1.00 0.00 ATOM 427 N PRO A 57 -6.043 1.001 2.498 1.00 0.00 ATOM 428 CA PRO A 57 -6.936 1.877 3.241 1.00 0.00 ATOM 429 CB PRO A 57 -8.291 1.651 2.489 1.00 0.00 ATOM 430 CG PRO A 57 -8.247 0.190 2.250 1.00 0.00 ATOM 431 CD PRO A 57 -6.803 -0.213 2.075 1.00 0.00 ATOM 432 O PRO A 57 -6.633 0.464 5.127 1.00 0.00 ATOM 433 C PRO A 57 -6.979 1.558 4.735 1.00 0.00 ATOM 434 N GLY A 58 -7.514 2.457 5.554 1.00 0.00 ATOM 435 CA GLY A 58 -7.581 2.143 6.968 1.00 0.00 ATOM 436 O GLY A 58 -8.308 0.464 8.500 1.00 0.00 ATOM 437 C GLY A 58 -8.476 0.978 7.395 1.00 0.00 ATOM 438 N GLY A 59 -9.485 0.518 6.548 1.00 0.00 ATOM 439 CA GLY A 59 -10.358 -0.585 6.914 1.00 0.00 ATOM 440 O GLY A 59 -10.659 -2.912 7.470 1.00 0.00 ATOM 441 C GLY A 59 -9.872 -2.013 7.145 1.00 0.00 ATOM 442 N LYS A 60 -8.569 -2.215 6.964 1.00 0.00 ATOM 443 CA LYS A 60 -7.987 -3.542 7.172 1.00 0.00 ATOM 444 CB LYS A 60 -7.094 -3.825 6.076 1.00 0.00 ATOM 445 CG LYS A 60 -8.001 -4.589 5.155 1.00 0.00 ATOM 446 CD LYS A 60 -8.835 -5.621 5.848 1.00 0.00 ATOM 447 CE LYS A 60 -9.622 -6.472 4.809 1.00 0.00 ATOM 448 NZ LYS A 60 -10.803 -7.123 5.465 1.00 0.00 ATOM 449 O LYS A 60 -5.978 -2.645 8.143 1.00 0.00 ATOM 450 C LYS A 60 -6.881 -3.482 8.224 1.00 0.00 ATOM 451 N GLY A 61 -7.078 -4.403 9.264 1.00 0.00 ATOM 452 CA GLY A 61 -6.058 -4.431 10.299 1.00 0.00 ATOM 453 O GLY A 61 -4.567 -5.300 8.628 1.00 0.00 ATOM 454 C GLY A 61 -4.702 -4.526 9.572 1.00 0.00 ATOM 455 N SER A 62 -3.719 -3.728 9.986 1.00 0.00 ATOM 456 CA SER A 62 -2.426 -3.731 9.309 1.00 0.00 ATOM 457 CB SER A 62 -1.479 -2.715 9.948 1.00 0.00 ATOM 458 OG SER A 62 -1.168 -3.076 11.282 1.00 0.00 ATOM 459 O SER A 62 -1.013 -5.449 8.411 1.00 0.00 ATOM 460 C SER A 62 -1.769 -5.101 9.326 1.00 0.00 ATOM 461 N THR A 63 -2.025 -5.919 10.353 1.00 0.00 ATOM 462 CA THR A 63 -1.395 -7.233 10.446 1.00 0.00 ATOM 463 CB THR A 63 -1.624 -7.876 11.825 1.00 0.00 ATOM 464 CG2 THR A 63 -1.025 -7.009 12.923 1.00 0.00 ATOM 465 OG1 THR A 63 -3.032 -8.017 12.062 1.00 0.00 ATOM 466 O THR A 63 -1.316 -8.839 8.664 1.00 0.00 ATOM 467 C THR A 63 -2.013 -8.056 9.311 1.00 0.00 ATOM 468 N VAL A 64 -3.361 -7.873 9.021 1.00 0.00 ATOM 469 CA VAL A 64 -4.023 -8.496 7.858 1.00 0.00 ATOM 470 CB VAL A 64 -5.548 -8.279 7.829 1.00 0.00 ATOM 471 CG1 VAL A 64 -6.159 -8.967 6.618 1.00 0.00 ATOM 472 CG2 VAL A 64 -6.193 -8.847 9.081 1.00 0.00 ATOM 473 O VAL A 64 -3.209 -8.921 5.637 1.00 0.00 ATOM 474 C VAL A 64 -3.428 -8.078 6.516 1.00 0.00 ATOM 475 N GLY A 65 -3.123 -6.813 6.420 1.00 0.00 ATOM 476 CA GLY A 65 -2.499 -6.298 5.204 1.00 0.00 ATOM 477 O GLY A 65 -0.754 -7.354 3.964 1.00 0.00 ATOM 478 C GLY A 65 -1.132 -6.949 5.058 1.00 0.00 ATOM 479 N SER A 66 -0.397 -7.038 6.163 1.00 0.00 ATOM 480 CA SER A 66 0.921 -7.682 6.162 1.00 0.00 ATOM 481 CB SER A 66 1.519 -7.680 7.570 1.00 0.00 ATOM 482 OG SER A 66 1.813 -6.363 7.998 1.00 0.00 ATOM 483 O SER A 66 1.558 -9.650 4.970 1.00 0.00 ATOM 484 C SER A 66 0.779 -9.151 5.780 1.00 0.00 ATOM 485 N TYR A 67 -0.245 -9.797 6.333 1.00 0.00 ATOM 486 CA TYR A 67 -0.538 -11.201 6.018 1.00 0.00 ATOM 487 CB TYR A 67 -1.808 -11.626 6.757 1.00 0.00 ATOM 488 CG TYR A 67 -2.241 -13.045 6.461 1.00 0.00 ATOM 489 CD1 TYR A 67 -1.669 -14.117 7.132 1.00 0.00 ATOM 490 CD2 TYR A 67 -3.223 -13.305 5.513 1.00 0.00 ATOM 491 CE1 TYR A 67 -2.059 -15.416 6.868 1.00 0.00 ATOM 492 CE2 TYR A 67 -3.627 -14.599 5.235 1.00 0.00 ATOM 493 CZ TYR A 67 -3.035 -15.657 5.923 1.00 0.00 ATOM 494 OH TYR A 67 -3.424 -16.952 5.659 1.00 0.00 ATOM 495 O TYR A 67 -0.257 -12.275 3.889 1.00 0.00 ATOM 496 C TYR A 67 -0.838 -11.401 4.536 1.00 0.00 ATOM 497 N VAL A 68 -1.751 -10.592 3.991 1.00 0.00 ATOM 498 CA VAL A 68 -2.106 -10.717 2.585 1.00 0.00 ATOM 499 CB VAL A 68 -3.342 -9.741 2.299 1.00 0.00 ATOM 500 CG1 VAL A 68 -3.608 -9.645 0.784 1.00 0.00 ATOM 501 CG2 VAL A 68 -4.587 -10.214 3.038 1.00 0.00 ATOM 502 O VAL A 68 -0.683 -11.150 0.699 1.00 0.00 ATOM 503 C VAL A 68 -0.907 -10.438 1.680 1.00 0.00 ATOM 504 N LEU A 69 -0.145 -9.418 2.010 1.00 0.00 ATOM 505 CA LEU A 69 1.019 -9.079 1.198 1.00 0.00 ATOM 506 CB LEU A 69 1.712 -7.831 1.745 1.00 0.00 ATOM 507 CG LEU A 69 2.937 -7.340 0.967 1.00 0.00 ATOM 508 CD1 LEU A 69 2.553 -6.964 -0.457 1.00 0.00 ATOM 509 CD2 LEU A 69 3.542 -6.116 1.635 1.00 0.00 ATOM 510 O LEU A 69 2.530 -10.626 0.165 1.00 0.00 ATOM 511 C LEU A 69 1.999 -10.244 1.210 1.00 0.00 ATOM 512 N LEU A 70 2.220 -10.839 2.376 1.00 0.00 ATOM 513 CA LEU A 70 3.155 -11.960 2.456 1.00 0.00 ATOM 514 CB LEU A 70 3.379 -12.369 3.912 1.00 0.00 ATOM 515 CG LEU A 70 4.148 -11.375 4.785 1.00 0.00 ATOM 516 CD1 LEU A 70 4.143 -11.821 6.241 1.00 0.00 ATOM 517 CD2 LEU A 70 5.594 -11.262 4.328 1.00 0.00 ATOM 518 O LEU A 70 3.432 -13.807 0.970 1.00 0.00 ATOM 519 C LEU A 70 2.658 -13.179 1.686 1.00 0.00 ATOM 520 N ASN A 71 1.373 -13.518 1.835 1.00 0.00 ATOM 521 CA ASN A 71 0.829 -14.664 1.134 1.00 0.00 ATOM 522 CB ASN A 71 -0.640 -14.878 1.510 1.00 0.00 ATOM 523 CG ASN A 71 -1.207 -16.162 0.934 1.00 0.00 ATOM 524 ND2 ASN A 71 -2.199 -16.032 0.063 1.00 0.00 ATOM 525 OD1 ASN A 71 -0.755 -17.256 1.272 1.00 0.00 ATOM 526 O ASN A 71 1.176 -15.375 -1.130 1.00 0.00 ATOM 527 C ASN A 71 0.885 -14.447 -0.374 1.00 0.00 ATOM 528 N LEU A 72 0.621 -13.242 -0.835 1.00 0.00 ATOM 529 CA LEU A 72 0.655 -12.929 -2.262 1.00 0.00 ATOM 530 CB LEU A 72 0.229 -11.521 -2.546 1.00 0.00 ATOM 531 CG LEU A 72 -1.184 -11.177 -2.054 1.00 0.00 ATOM 532 CD1 LEU A 72 -1.536 -9.742 -2.448 1.00 0.00 ATOM 533 CD2 LEU A 72 -2.190 -12.152 -2.660 1.00 0.00 ATOM 534 O LEU A 72 2.305 -13.749 -3.786 1.00 0.00 ATOM 535 C LEU A 72 2.084 -13.133 -2.748 1.00 0.00 ATOM 536 N ARG A 73 3.016 -12.643 -1.987 1.00 0.00 ATOM 537 CA ARG A 73 4.412 -12.776 -2.352 1.00 0.00 ATOM 538 CB ARG A 73 5.323 -12.064 -1.409 1.00 0.00 ATOM 539 CG ARG A 73 6.799 -12.176 -1.752 1.00 0.00 ATOM 540 CD ARG A 73 7.659 -11.520 -0.677 1.00 0.00 ATOM 541 NE ARG A 73 9.092 -11.646 -0.947 1.00 0.00 ATOM 542 CZ ARG A 73 9.720 -11.054 -1.957 1.00 0.00 ATOM 543 NH1 ARG A 73 9.050 -10.287 -2.805 1.00 0.00 ATOM 544 NH2 ARG A 73 11.028 -11.224 -2.117 1.00 0.00 ATOM 545 O ARG A 73 5.483 -14.676 -3.356 1.00 0.00 ATOM 546 C ARG A 73 4.798 -14.250 -2.430 1.00 0.00 ATOM 547 N LYS A 74 4.338 -15.026 -1.461 1.00 0.00 ATOM 548 CA LYS A 74 4.654 -16.445 -1.426 1.00 0.00 ATOM 549 CB LYS A 74 3.994 -17.112 -0.219 1.00 0.00 ATOM 550 CG LYS A 74 4.605 -16.724 1.117 1.00 0.00 ATOM 551 CD LYS A 74 3.902 -17.421 2.270 1.00 0.00 ATOM 552 CE LYS A 74 4.499 -17.016 3.607 1.00 0.00 ATOM 553 NZ LYS A 74 3.798 -17.667 4.748 1.00 0.00 ATOM 554 O LYS A 74 4.843 -17.999 -3.253 1.00 0.00 ATOM 555 C LYS A 74 4.156 -17.148 -2.686 1.00 0.00 ATOM 556 N ASN A 75 2.949 -16.790 -3.113 1.00 0.00 ATOM 557 CA ASN A 75 2.341 -17.394 -4.291 1.00 0.00 ATOM 558 CB ASN A 75 0.843 -17.080 -4.340 1.00 0.00 ATOM 559 CG ASN A 75 0.052 -17.842 -3.294 1.00 0.00 ATOM 560 ND2 ASN A 75 -1.166 -17.388 -3.029 1.00 0.00 ATOM 561 OD1 ASN A 75 0.537 -18.823 -2.731 1.00 0.00 ATOM 562 O ASN A 75 2.489 -17.373 -6.671 1.00 0.00 ATOM 563 C ASN A 75 2.928 -16.928 -5.613 1.00 0.00 ATOM 564 N GLY A 76 3.901 -16.028 -5.558 1.00 0.00 ATOM 565 CA GLY A 76 4.517 -15.549 -6.782 1.00 0.00 ATOM 566 O GLY A 76 4.136 -14.004 -8.509 1.00 0.00 ATOM 567 C GLY A 76 3.893 -14.296 -7.350 1.00 0.00 ATOM 568 N VAL A 77 3.090 -13.596 -6.547 1.00 0.00 ATOM 569 CA VAL A 77 2.496 -12.338 -7.023 1.00 0.00 ATOM 570 CB VAL A 77 1.203 -11.982 -6.274 1.00 0.00 ATOM 571 CG1 VAL A 77 0.640 -10.687 -6.830 1.00 0.00 ATOM 572 CG2 VAL A 77 0.192 -13.114 -6.501 1.00 0.00 ATOM 573 O VAL A 77 4.029 -11.165 -5.600 1.00 0.00 ATOM 574 C VAL A 77 3.577 -11.302 -6.731 1.00 0.00 ATOM 575 N ALA A 78 4.007 -10.613 -7.776 1.00 0.00 ATOM 576 CA ALA A 78 5.061 -9.615 -7.697 1.00 0.00 ATOM 577 CB ALA A 78 5.696 -9.440 -9.075 1.00 0.00 ATOM 578 O ALA A 78 4.544 -7.281 -7.903 1.00 0.00 ATOM 579 C ALA A 78 4.650 -8.253 -7.149 1.00 0.00 ATOM 580 N PRO A 79 4.504 -8.157 -5.828 1.00 0.00 ATOM 581 CA PRO A 79 4.150 -6.886 -5.204 1.00 0.00 ATOM 582 CB PRO A 79 3.557 -7.306 -3.877 1.00 0.00 ATOM 583 CG PRO A 79 4.353 -8.576 -3.498 1.00 0.00 ATOM 584 CD PRO A 79 4.455 -9.298 -4.872 1.00 0.00 ATOM 585 O PRO A 79 6.491 -6.609 -4.795 1.00 0.00 ATOM 586 C PRO A 79 5.429 -6.123 -5.215 1.00 0.00 ATOM 587 N LYS A 80 5.489 -4.820 -5.734 1.00 0.00 ATOM 588 CA LYS A 80 6.716 -4.008 -5.793 1.00 0.00 ATOM 589 CB LYS A 80 6.981 -3.402 -7.173 1.00 0.00 ATOM 590 CG LYS A 80 7.295 -4.426 -8.250 1.00 0.00 ATOM 591 CD LYS A 80 7.529 -3.760 -9.595 1.00 0.00 ATOM 592 CE LYS A 80 7.849 -4.783 -10.672 1.00 0.00 ATOM 593 NZ LYS A 80 8.159 -4.140 -11.978 1.00 0.00 ATOM 594 O LYS A 80 7.693 -2.603 -4.136 1.00 0.00 ATOM 595 C LYS A 80 6.658 -2.959 -4.698 1.00 0.00 ATOM 596 N ALA A 81 5.448 -2.479 -4.338 1.00 0.00 ATOM 597 CA ALA A 81 5.315 -1.375 -3.402 1.00 0.00 ATOM 598 CB ALA A 81 5.586 -0.040 -4.078 1.00 0.00 ATOM 599 O ALA A 81 3.022 -2.017 -3.428 1.00 0.00 ATOM 600 C ALA A 81 3.875 -1.374 -2.876 1.00 0.00 ATOM 601 N ILE A 82 3.825 -0.433 -1.844 1.00 0.00 ATOM 602 CA ILE A 82 2.487 -0.193 -1.311 1.00 0.00 ATOM 603 CB ILE A 82 2.292 -0.984 -0.000 1.00 0.00 ATOM 604 CG1 ILE A 82 2.581 -2.468 -0.297 1.00 0.00 ATOM 605 CG2 ILE A 82 0.851 -0.794 0.507 1.00 0.00 ATOM 606 CD1 ILE A 82 2.364 -3.423 0.849 1.00 0.00 ATOM 607 O ILE A 82 3.279 1.938 -0.545 1.00 0.00 ATOM 608 C ILE A 82 2.321 1.269 -0.919 1.00 0.00 ATOM 609 N ILE A 83 1.089 1.753 -1.025 1.00 0.00 ATOM 610 CA ILE A 83 0.733 3.128 -0.688 1.00 0.00 ATOM 611 CB ILE A 83 0.263 3.921 -1.923 1.00 0.00 ATOM 612 CG1 ILE A 83 1.373 3.969 -2.977 1.00 0.00 ATOM 613 CG2 ILE A 83 -0.094 5.347 -1.535 1.00 0.00 ATOM 614 CD1 ILE A 83 0.940 4.577 -4.294 1.00 0.00 ATOM 615 O ILE A 83 -1.487 2.513 0.043 1.00 0.00 ATOM 616 C ILE A 83 -0.397 3.015 0.345 1.00 0.00 ATOM 617 N ASN A 84 -0.144 3.509 1.555 1.00 0.00 ATOM 618 CA ASN A 84 -1.124 3.432 2.633 1.00 0.00 ATOM 619 CB ASN A 84 -0.497 2.878 3.914 1.00 0.00 ATOM 620 CG ASN A 84 -0.031 1.444 3.762 1.00 0.00 ATOM 621 ND2 ASN A 84 1.275 1.232 3.869 1.00 0.00 ATOM 622 OD1 ASN A 84 -0.838 0.538 3.551 1.00 0.00 ATOM 623 O ASN A 84 -0.997 5.733 3.293 1.00 0.00 ATOM 624 C ASN A 84 -1.718 4.759 3.076 1.00 0.00 ATOM 625 N LYS A 85 -3.004 4.731 3.395 1.00 0.00 ATOM 626 CA LYS A 85 -3.698 5.914 3.868 1.00 0.00 ATOM 627 CB LYS A 85 -5.293 5.325 3.475 1.00 0.00 ATOM 628 CG LYS A 85 -5.414 4.562 2.147 1.00 0.00 ATOM 629 CD LYS A 85 -6.099 5.367 1.048 1.00 0.00 ATOM 630 CE LYS A 85 -5.226 6.482 0.511 1.00 0.00 ATOM 631 NZ LYS A 85 -5.921 7.258 -0.561 1.00 0.00 ATOM 632 O LYS A 85 -2.921 7.404 5.590 1.00 0.00 ATOM 633 C LYS A 85 -3.262 6.267 5.291 1.00 0.00 ATOM 634 N LYS A 86 -3.213 5.263 6.155 1.00 0.00 ATOM 635 CA LYS A 86 -2.849 5.466 7.545 1.00 0.00 ATOM 636 CB LYS A 86 -3.378 4.322 8.411 1.00 0.00 ATOM 637 CG LYS A 86 -4.894 4.264 8.507 1.00 0.00 ATOM 638 CD LYS A 86 -5.347 3.133 9.415 1.00 0.00 ATOM 639 CE LYS A 86 -6.862 3.028 9.452 1.00 0.00 ATOM 640 NZ LYS A 86 -7.322 1.923 10.340 1.00 0.00 ATOM 641 O LYS A 86 -0.547 5.238 6.886 1.00 0.00 ATOM 642 C LYS A 86 -1.349 5.525 7.780 1.00 0.00 ATOM 643 N THR A 87 -0.982 5.897 9.001 1.00 0.00 ATOM 644 CA THR A 87 0.420 5.969 9.394 1.00 0.00 ATOM 645 CB THR A 87 0.635 6.981 10.534 1.00 0.00 ATOM 646 CG2 THR A 87 0.402 8.400 10.035 1.00 0.00 ATOM 647 OG1 THR A 87 -0.284 6.708 11.598 1.00 0.00 ATOM 648 O THR A 87 1.360 4.456 11.005 1.00 0.00 ATOM 649 C THR A 87 0.909 4.592 9.874 1.00 0.00 ATOM 650 N GLU A 88 0.824 3.578 9.010 1.00 0.00 ATOM 651 CA GLU A 88 1.257 2.222 9.370 1.00 0.00 ATOM 652 CB GLU A 88 0.095 1.236 9.233 1.00 0.00 ATOM 653 CG GLU A 88 -1.073 1.523 10.161 1.00 0.00 ATOM 654 CD GLU A 88 -2.106 0.414 10.160 1.00 0.00 ATOM 655 OE1 GLU A 88 -2.627 0.090 9.074 1.00 0.00 ATOM 656 OE2 GLU A 88 -2.394 -0.133 11.247 1.00 0.00 ATOM 657 O GLU A 88 2.609 0.481 8.458 1.00 0.00 ATOM 658 C GLU A 88 2.437 1.701 8.558 1.00 0.00 ATOM 659 N THR A 89 3.096 2.551 7.589 1.00 0.00 ATOM 660 CA THR A 89 4.132 2.044 6.670 1.00 0.00 ATOM 661 CB THR A 89 4.871 3.232 5.965 1.00 0.00 ATOM 662 CG2 THR A 89 6.030 2.716 5.118 1.00 0.00 ATOM 663 OG1 THR A 89 3.957 3.941 5.118 1.00 0.00 ATOM 664 O THR A 89 5.526 0.092 6.829 1.00 0.00 ATOM 665 C THR A 89 5.245 1.193 7.289 1.00 0.00 ATOM 666 N ILE A 90 5.808 1.658 8.352 1.00 0.00 ATOM 667 CA ILE A 90 6.846 0.882 9.025 1.00 0.00 ATOM 668 CB ILE A 90 7.535 1.693 10.140 1.00 0.00 ATOM 669 CG1 ILE A 90 8.330 2.855 9.541 1.00 0.00 ATOM 670 CG2 ILE A 90 8.491 0.811 10.926 1.00 0.00 ATOM 671 CD1 ILE A 90 8.822 3.851 10.566 1.00 0.00 ATOM 672 O ILE A 90 6.956 -1.443 9.614 1.00 0.00 ATOM 673 C ILE A 90 6.294 -0.403 9.637 1.00 0.00 ATOM 674 N ILE A 91 5.062 -0.345 10.178 1.00 0.00 ATOM 675 CA ILE A 91 4.470 -1.537 10.769 1.00 0.00 ATOM 676 CB ILE A 91 3.110 -1.115 11.367 1.00 0.00 ATOM 677 CG1 ILE A 91 3.333 -0.404 12.716 1.00 0.00 ATOM 678 CG2 ILE A 91 2.189 -2.298 11.502 1.00 0.00 ATOM 679 CD1 ILE A 91 2.051 0.273 13.202 1.00 0.00 ATOM 680 O ILE A 91 4.649 -3.769 9.933 1.00 0.00 ATOM 681 C ILE A 91 4.300 -2.619 9.714 1.00 0.00 ATOM 682 N ALA A 92 3.798 -2.242 8.530 1.00 0.00 ATOM 683 CA ALA A 92 3.569 -3.222 7.486 1.00 0.00 ATOM 684 CB ALA A 92 2.856 -2.565 6.314 1.00 0.00 ATOM 685 O ALA A 92 4.983 -5.035 6.763 1.00 0.00 ATOM 686 C ALA A 92 4.861 -3.816 6.923 1.00 0.00 ATOM 687 N VAL A 93 5.816 -2.956 6.609 1.00 0.00 ATOM 688 CA VAL A 93 7.099 -3.394 6.068 1.00 0.00 ATOM 689 CB VAL A 93 8.046 -2.221 5.750 1.00 0.00 ATOM 690 CG1 VAL A 93 9.429 -2.738 5.391 1.00 0.00 ATOM 691 CG2 VAL A 93 7.514 -1.410 4.579 1.00 0.00 ATOM 692 O VAL A 93 8.403 -5.335 6.583 1.00 0.00 ATOM 693 C VAL A 93 7.866 -4.310 7.014 1.00 0.00 ATOM 694 N GLY A 94 7.877 -3.968 8.300 1.00 0.00 ATOM 695 CA GLY A 94 8.573 -4.786 9.290 1.00 0.00 ATOM 696 O GLY A 94 8.787 -7.133 9.695 1.00 0.00 ATOM 697 C GLY A 94 8.078 -6.229 9.275 1.00 0.00 ATOM 698 N ALA A 95 6.871 -6.450 8.760 1.00 0.00 ATOM 699 CA ALA A 95 6.307 -7.791 8.725 1.00 0.00 ATOM 700 CB ALA A 95 4.874 -7.769 9.234 1.00 0.00 ATOM 701 O ALA A 95 5.729 -9.621 7.283 1.00 0.00 ATOM 702 C ALA A 95 6.228 -8.502 7.358 1.00 0.00 ATOM 703 N ALA A 96 6.839 -7.850 6.288 1.00 0.00 ATOM 704 CA ALA A 96 6.756 -8.476 4.966 1.00 0.00 ATOM 705 CB ALA A 96 6.841 -7.421 3.875 1.00 0.00 ATOM 706 O ALA A 96 8.895 -9.489 5.353 1.00 0.00 ATOM 707 C ALA A 96 7.841 -9.510 4.715 1.00 0.00 ATOM 708 N MET A 97 7.577 -10.427 3.690 1.00 0.00 ATOM 709 CA MET A 97 8.537 -11.470 3.348 1.00 0.00 ATOM 710 CB MET A 97 7.824 -12.412 2.365 1.00 0.00 ATOM 711 CG MET A 97 8.700 -13.534 1.814 1.00 0.00 ATOM 712 SD MET A 97 9.419 -14.601 3.112 1.00 0.00 ATOM 713 CE MET A 97 7.937 -15.313 3.671 1.00 0.00 ATOM 714 O MET A 97 10.926 -11.350 3.092 1.00 0.00 ATOM 715 C MET A 97 9.836 -10.807 2.900 1.00 0.00 ATOM 716 N ALA A 98 9.702 -9.637 2.286 1.00 0.00 ATOM 717 CA ALA A 98 10.850 -8.876 1.817 1.00 0.00 ATOM 718 CB ALA A 98 11.182 -9.247 0.382 1.00 0.00 ATOM 719 O ALA A 98 9.364 -6.990 1.751 1.00 0.00 ATOM 720 C ALA A 98 10.524 -7.385 1.898 1.00 0.00 ATOM 721 N GLU A 99 11.542 -6.565 2.132 1.00 0.00 ATOM 722 CA GLU A 99 11.366 -5.123 2.243 1.00 0.00 ATOM 723 CB GLU A 99 12.691 -4.446 2.598 1.00 0.00 ATOM 724 CG GLU A 99 12.582 -2.945 2.818 1.00 0.00 ATOM 725 CD GLU A 99 13.901 -2.317 3.221 1.00 0.00 ATOM 726 OE1 GLU A 99 14.894 -3.060 3.357 1.00 0.00 ATOM 727 OE2 GLU A 99 13.942 -1.083 3.400 1.00 0.00 ATOM 728 O GLU A 99 11.365 -4.795 -0.146 1.00 0.00 ATOM 729 C GLU A 99 10.874 -4.485 0.934 1.00 0.00 ATOM 730 N ILE A 100 9.878 -3.615 1.044 1.00 0.00 ATOM 731 CA ILE A 100 9.306 -2.925 -0.114 1.00 0.00 ATOM 732 CB ILE A 100 7.944 -3.529 -0.503 1.00 0.00 ATOM 733 CG1 ILE A 100 6.962 -3.431 0.665 1.00 0.00 ATOM 734 CG2 ILE A 100 8.099 -4.994 -0.882 1.00 0.00 ATOM 735 CD1 ILE A 100 5.548 -3.837 0.313 1.00 0.00 ATOM 736 O ILE A 100 8.914 -1.113 1.366 1.00 0.00 ATOM 737 C ILE A 100 9.100 -1.464 0.214 1.00 0.00 ATOM 738 N PRO A 101 9.144 -0.592 -0.801 1.00 0.00 ATOM 739 CA PRO A 101 8.928 0.832 -0.540 1.00 0.00 ATOM 740 CB PRO A 101 9.324 1.512 -1.853 1.00 0.00 ATOM 741 CG PRO A 101 9.088 0.476 -2.896 1.00 0.00 ATOM 742 CD PRO A 101 9.402 -0.845 -2.254 1.00 0.00 ATOM 743 O PRO A 101 6.570 0.598 -0.963 1.00 0.00 ATOM 744 C PRO A 101 7.449 1.017 -0.198 1.00 0.00 ATOM 745 N LEU A 102 7.172 1.573 0.980 1.00 0.00 ATOM 746 CA LEU A 102 5.800 1.788 1.420 1.00 0.00 ATOM 747 CB LEU A 102 5.540 1.045 2.733 1.00 0.00 ATOM 748 CG LEU A 102 5.719 -0.474 2.699 1.00 0.00 ATOM 749 CD1 LEU A 102 5.557 -1.066 4.091 1.00 0.00 ATOM 750 CD2 LEU A 102 4.687 -1.118 1.785 1.00 0.00 ATOM 751 O LEU A 102 6.409 3.921 2.313 1.00 0.00 ATOM 752 C LEU A 102 5.645 3.288 1.585 1.00 0.00 ATOM 753 N VAL A 103 4.659 3.873 0.897 1.00 0.00 ATOM 754 CA VAL A 103 4.432 5.308 0.994 1.00 0.00 ATOM 755 CB VAL A 103 4.319 6.012 -0.386 1.00 0.00 ATOM 756 CG1 VAL A 103 4.228 7.502 -0.215 1.00 0.00 ATOM 757 CG2 VAL A 103 5.481 5.615 -1.272 1.00 0.00 ATOM 758 O VAL A 103 2.084 5.278 1.492 1.00 0.00 ATOM 759 C VAL A 103 3.199 5.685 1.817 1.00 0.00 ATOM 760 N GLU A 104 3.390 6.469 2.900 1.00 0.00 ATOM 761 CA GLU A 104 2.261 6.911 3.714 1.00 0.00 ATOM 762 CB GLU A 104 2.794 7.351 5.001 1.00 0.00 ATOM 763 CG GLU A 104 2.716 6.124 5.899 1.00 0.00 ATOM 764 CD GLU A 104 3.180 6.404 7.318 1.00 0.00 ATOM 765 OE1 GLU A 104 2.618 7.318 7.959 1.00 0.00 ATOM 766 OE2 GLU A 104 4.105 5.706 7.788 1.00 0.00 ATOM 767 O GLU A 104 2.410 9.220 3.106 1.00 0.00 ATOM 768 C GLU A 104 1.716 8.216 3.164 1.00 0.00 ATOM 769 N VAL A 105 0.464 8.155 2.732 1.00 0.00 ATOM 770 CA VAL A 105 -0.176 9.286 2.037 1.00 0.00 ATOM 771 CB VAL A 105 -1.581 8.943 1.502 1.00 0.00 ATOM 772 CG1 VAL A 105 -2.292 10.205 1.006 1.00 0.00 ATOM 773 CG2 VAL A 105 -1.433 7.891 0.354 1.00 0.00 ATOM 774 O VAL A 105 -0.086 11.602 2.591 1.00 0.00 ATOM 775 C VAL A 105 -0.272 10.466 3.017 1.00 0.00 ATOM 776 N ARG A 106 -0.589 10.198 4.301 1.00 0.00 ATOM 777 CA ARG A 106 -0.724 11.347 5.189 1.00 0.00 ATOM 778 CB ARG A 106 -1.155 10.809 6.560 1.00 0.00 ATOM 779 CG ARG A 106 -2.636 10.493 6.677 1.00 0.00 ATOM 780 CD ARG A 106 -3.037 10.364 8.141 1.00 0.00 ATOM 781 NE ARG A 106 -4.477 10.194 8.312 1.00 0.00 ATOM 782 CZ ARG A 106 -5.138 9.077 8.029 1.00 0.00 ATOM 783 NH1 ARG A 106 -6.450 9.015 8.212 1.00 0.00 ATOM 784 NH2 ARG A 106 -4.487 8.019 7.569 1.00 0.00 ATOM 785 O ARG A 106 0.791 13.228 5.370 1.00 0.00 ATOM 786 C ARG A 106 0.675 11.998 5.357 1.00 0.00 ATOM 787 N ASP A 107 1.696 11.185 5.519 1.00 0.00 ATOM 788 CA ASP A 107 3.059 11.692 5.703 1.00 0.00 ATOM 789 CB ASP A 107 4.024 10.503 5.953 1.00 0.00 ATOM 790 CG ASP A 107 4.074 10.054 7.410 1.00 0.00 ATOM 791 OD1 ASP A 107 3.341 10.595 8.264 1.00 0.00 ATOM 792 OD2 ASP A 107 4.877 9.148 7.697 1.00 0.00 ATOM 793 O ASP A 107 4.170 13.553 4.659 1.00 0.00 ATOM 794 C ASP A 107 3.533 12.519 4.498 1.00 0.00 ATOM 795 N GLU A 108 5.253 12.087 6.152 1.00 0.00 ATOM 796 CA GLU A 108 6.405 12.984 6.134 1.00 0.00 ATOM 797 CB GLU A 108 6.203 14.162 7.131 1.00 0.00 ATOM 798 CG GLU A 108 5.050 15.082 6.780 1.00 0.00 ATOM 799 CD GLU A 108 4.827 16.207 7.773 1.00 0.00 ATOM 800 OE1 GLU A 108 5.694 16.436 8.651 1.00 0.00 ATOM 801 OE2 GLU A 108 3.770 16.882 7.697 1.00 0.00 ATOM 802 O GLU A 108 8.768 12.663 5.821 1.00 0.00 ATOM 803 C GLU A 108 7.748 12.306 6.416 1.00 0.00 ATOM 804 N LYS A 109 7.783 11.349 7.264 1.00 0.00 ATOM 805 CA LYS A 109 8.987 10.619 7.642 1.00 0.00 ATOM 806 CB LYS A 109 8.812 10.036 9.071 1.00 0.00 ATOM 807 CG LYS A 109 8.461 11.045 10.162 1.00 0.00 ATOM 808 CD LYS A 109 9.539 12.107 10.340 1.00 0.00 ATOM 809 CE LYS A 109 9.162 13.081 11.451 1.00 0.00 ATOM 810 NZ LYS A 109 10.146 14.193 11.586 1.00 0.00 ATOM 811 O LYS A 109 10.393 8.851 6.856 1.00 0.00 ATOM 812 C LYS A 109 9.333 9.456 6.711 1.00 0.00 ATOM 813 N PHE A 110 8.467 9.154 5.757 1.00 0.00 ATOM 814 CA PHE A 110 8.724 8.036 4.806 1.00 0.00 ATOM 815 CB PHE A 110 7.611 7.794 3.835 1.00 0.00 ATOM 816 CG PHE A 110 7.924 6.687 2.853 1.00 0.00 ATOM 817 CD1 PHE A 110 7.965 5.356 3.271 1.00 0.00 ATOM 818 CD2 PHE A 110 8.282 6.985 1.530 1.00 0.00 ATOM 819 CE1 PHE A 110 8.365 4.334 2.396 1.00 0.00 ATOM 820 CE2 PHE A 110 8.684 5.969 0.655 1.00 0.00 ATOM 821 CZ PHE A 110 8.724 4.634 1.103 1.00 0.00 ATOM 822 O PHE A 110 10.855 7.373 3.900 1.00 0.00 ATOM 823 C PHE A 110 10.016 8.270 4.007 1.00 0.00 ATOM 824 N PHE A 111 10.127 9.487 3.454 1.00 0.00 ATOM 825 CA PHE A 111 11.310 9.796 2.640 1.00 0.00 ATOM 826 CB PHE A 111 11.142 11.162 1.930 1.00 0.00 ATOM 827 CG PHE A 111 10.025 11.280 0.903 1.00 0.00 ATOM 828 CD1 PHE A 111 9.700 10.298 -0.007 1.00 0.00 ATOM 829 CD2 PHE A 111 9.270 12.452 0.874 1.00 0.00 ATOM 830 CE1 PHE A 111 8.679 10.480 -0.933 1.00 0.00 ATOM 831 CE2 PHE A 111 8.237 12.658 -0.039 1.00 0.00 ATOM 832 CZ PHE A 111 7.955 11.647 -0.970 1.00 0.00 ATOM 833 O PHE A 111 13.615 9.329 3.002 1.00 0.00 ATOM 834 C PHE A 111 12.558 9.744 3.484 1.00 0.00 ATOM 835 N GLU A 112 13.297 10.166 4.736 1.00 0.00 ATOM 836 CA GLU A 112 14.686 10.012 5.135 1.00 0.00 ATOM 837 CB GLU A 112 14.924 10.476 6.576 1.00 0.00 ATOM 838 CG GLU A 112 14.928 11.996 6.755 1.00 0.00 ATOM 839 CD GLU A 112 15.656 12.710 5.620 1.00 0.00 ATOM 840 OE1 GLU A 112 16.819 12.267 5.479 1.00 0.00 ATOM 841 OE2 GLU A 112 15.047 13.579 4.955 1.00 0.00 ATOM 842 O GLU A 112 16.248 8.299 4.497 1.00 0.00 ATOM 843 C GLU A 112 15.153 8.574 4.960 1.00 0.00 ATOM 844 N ALA A 113 14.313 7.608 5.341 1.00 0.00 ATOM 845 CA ALA A 113 14.673 6.201 5.201 1.00 0.00 ATOM 846 CB ALA A 113 13.698 5.328 5.955 1.00 0.00 ATOM 847 O ALA A 113 15.475 5.033 3.270 1.00 0.00 ATOM 848 C ALA A 113 14.642 5.816 3.724 1.00 0.00 ATOM 849 N VAL A 114 13.683 6.353 2.971 1.00 0.00 ATOM 850 CA VAL A 114 13.626 6.043 1.544 1.00 0.00 ATOM 851 CB VAL A 114 12.298 6.590 0.929 1.00 0.00 ATOM 852 CG1 VAL A 114 12.346 8.066 0.822 1.00 0.00 ATOM 853 CG2 VAL A 114 12.058 5.942 -0.435 1.00 0.00 ATOM 854 O VAL A 114 15.384 6.023 -0.057 1.00 0.00 ATOM 855 C VAL A 114 14.859 6.622 0.862 1.00 0.00 ATOM 856 N LYS A 115 15.333 7.753 1.279 1.00 0.00 ATOM 857 CA LYS A 115 16.544 8.352 0.713 1.00 0.00 ATOM 858 CB LYS A 115 16.796 9.703 1.371 1.00 0.00 ATOM 859 CG LYS A 115 18.154 10.281 1.066 1.00 0.00 ATOM 860 CD LYS A 115 18.259 11.682 1.603 1.00 0.00 ATOM 861 CE LYS A 115 19.571 12.312 1.157 1.00 0.00 ATOM 862 NZ LYS A 115 19.580 13.773 1.419 1.00 0.00 ATOM 863 O LYS A 115 18.888 7.849 0.636 1.00 0.00 ATOM 864 C LYS A 115 17.755 7.456 0.926 1.00 0.00 ATOM 865 N THR A 116 17.620 6.078 1.428 1.00 0.00 ATOM 866 CA THR A 116 18.688 5.097 1.495 1.00 0.00 ATOM 867 CB THR A 116 19.701 4.749 2.604 1.00 0.00 ATOM 868 CG2 THR A 116 19.021 4.742 3.964 1.00 0.00 ATOM 869 OG1 THR A 116 20.256 3.449 2.356 1.00 0.00 ATOM 870 O THR A 116 20.138 4.199 -0.194 1.00 0.00 ATOM 871 C THR A 116 19.228 4.993 0.064 1.00 0.00 ATOM 872 N GLY A 117 18.710 5.798 -0.962 1.00 0.00 ATOM 873 CA GLY A 117 19.265 5.897 -2.316 1.00 0.00 ATOM 874 O GLY A 117 18.257 6.419 -4.434 1.00 0.00 ATOM 875 C GLY A 117 18.079 6.208 -3.228 1.00 0.00 ATOM 876 N ASP A 118 16.882 6.285 -2.658 1.00 0.00 ATOM 877 CA ASP A 118 15.697 6.568 -3.454 1.00 0.00 ATOM 878 CB ASP A 118 15.225 5.245 -4.136 1.00 0.00 ATOM 879 CG ASP A 118 14.286 5.467 -5.305 1.00 0.00 ATOM 880 OD1 ASP A 118 14.218 6.594 -5.816 1.00 0.00 ATOM 881 OD2 ASP A 118 13.600 4.504 -5.724 1.00 0.00 ATOM 882 O ASP A 118 14.545 6.920 -1.375 1.00 0.00 ATOM 883 C ASP A 118 14.548 7.080 -2.597 1.00 0.00 ATOM 884 N ARG A 119 13.570 7.694 -3.248 1.00 0.00 ATOM 885 CA ARG A 119 12.409 8.238 -2.555 1.00 0.00 ATOM 886 CB ARG A 119 12.428 9.744 -2.557 1.00 0.00 ATOM 887 CG ARG A 119 13.719 10.308 -1.971 1.00 0.00 ATOM 888 CD ARG A 119 13.816 11.835 -1.957 1.00 0.00 ATOM 889 NE ARG A 119 12.519 12.499 -1.793 1.00 0.00 ATOM 890 CZ ARG A 119 12.330 13.816 -1.895 1.00 0.00 ATOM 891 NH1 ARG A 119 13.360 14.624 -2.160 1.00 0.00 ATOM 892 NH2 ARG A 119 11.114 14.331 -1.739 1.00 0.00 ATOM 893 O ARG A 119 11.172 7.665 -4.507 1.00 0.00 ATOM 894 C ARG A 119 11.179 7.724 -3.274 1.00 0.00 ATOM 895 N VAL A 120 10.141 7.402 -2.530 1.00 0.00 ATOM 896 CA VAL A 120 8.892 7.004 -3.191 1.00 0.00 ATOM 897 CB VAL A 120 8.234 5.824 -2.471 1.00 0.00 ATOM 898 CG1 VAL A 120 6.929 5.474 -3.170 1.00 0.00 ATOM 899 CG2 VAL A 120 9.177 4.631 -2.482 1.00 0.00 ATOM 900 O VAL A 120 7.908 8.865 -2.058 1.00 0.00 ATOM 901 C VAL A 120 8.025 8.252 -3.120 1.00 0.00 ATOM 902 N VAL A 121 7.469 8.631 -4.264 1.00 0.00 ATOM 903 CA VAL A 121 6.637 9.824 -4.314 1.00 0.00 ATOM 904 CB VAL A 121 6.772 10.603 -5.603 1.00 0.00 ATOM 905 CG1 VAL A 121 5.727 11.690 -5.752 1.00 0.00 ATOM 906 CG2 VAL A 121 8.205 11.192 -5.682 1.00 0.00 ATOM 907 O VAL A 121 4.677 8.739 -5.159 1.00 0.00 ATOM 908 C VAL A 121 5.152 9.495 -4.310 1.00 0.00 ATOM 909 N VAL A 122 4.434 10.047 -3.315 1.00 0.00 ATOM 910 CA VAL A 122 2.991 9.859 -3.157 1.00 0.00 ATOM 911 CB VAL A 122 2.611 9.634 -1.694 1.00 0.00 ATOM 912 CG1 VAL A 122 1.103 9.569 -1.516 1.00 0.00 ATOM 913 CG2 VAL A 122 3.237 8.337 -1.203 1.00 0.00 ATOM 914 O VAL A 122 2.510 12.210 -3.108 1.00 0.00 ATOM 915 C VAL A 122 2.284 11.141 -3.648 1.00 0.00 ATOM 916 N ASN A 123 1.392 10.982 -4.639 1.00 0.00 ATOM 917 CA ASN A 123 0.621 12.084 -5.195 1.00 0.00 ATOM 918 CB ASN A 123 0.651 12.058 -6.719 1.00 0.00 ATOM 919 CG ASN A 123 0.004 13.270 -7.349 1.00 0.00 ATOM 920 ND2 ASN A 123 0.083 13.361 -8.673 1.00 0.00 ATOM 921 OD1 ASN A 123 -0.557 14.120 -6.660 1.00 0.00 ATOM 922 O ASN A 123 -1.526 11.048 -5.133 1.00 0.00 ATOM 923 C ASN A 123 -0.780 11.894 -4.666 1.00 0.00 ATOM 924 N ALA A 124 -1.109 12.609 -3.606 1.00 0.00 ATOM 925 CA ALA A 124 -2.337 12.364 -2.916 1.00 0.00 ATOM 926 CB ALA A 124 -2.381 13.006 -1.581 1.00 0.00 ATOM 927 O ALA A 124 -4.615 12.199 -3.532 1.00 0.00 ATOM 928 C ALA A 124 -3.571 12.794 -3.709 1.00 0.00 ATOM 929 N ASP A 125 -3.430 13.753 -4.593 1.00 0.00 ATOM 930 CA ASP A 125 -4.577 14.224 -5.379 1.00 0.00 ATOM 931 CB ASP A 125 -4.179 15.408 -6.269 1.00 0.00 ATOM 932 CG ASP A 125 -3.772 16.625 -5.466 1.00 0.00 ATOM 933 OD1 ASP A 125 -4.007 16.638 -4.235 1.00 0.00 ATOM 934 OD2 ASP A 125 -3.228 17.572 -6.077 1.00 0.00 ATOM 935 O ASP A 125 -6.384 12.981 -6.346 1.00 0.00 ATOM 936 C ASP A 125 -5.172 13.091 -6.234 1.00 0.00 ATOM 937 N GLU A 126 -4.313 12.232 -6.799 1.00 0.00 ATOM 938 CA GLU A 126 -4.775 11.095 -7.626 1.00 0.00 ATOM 939 CB GLU A 126 -4.038 11.696 -9.162 1.00 0.00 ATOM 940 CG GLU A 126 -3.558 13.131 -9.246 1.00 0.00 ATOM 941 CD GLU A 126 -2.672 13.357 -10.459 1.00 0.00 ATOM 942 OE1 GLU A 126 -1.747 12.550 -10.672 1.00 0.00 ATOM 943 OE2 GLU A 126 -2.901 14.339 -11.196 1.00 0.00 ATOM 944 O GLU A 126 -5.053 8.709 -7.587 1.00 0.00 ATOM 945 C GLU A 126 -4.599 9.722 -7.001 1.00 0.00 ATOM 946 N GLY A 127 -4.043 9.693 -5.788 1.00 0.00 ATOM 947 CA GLY A 127 -3.721 8.450 -5.082 1.00 0.00 ATOM 948 O GLY A 127 -3.064 6.453 -6.261 1.00 0.00 ATOM 949 C GLY A 127 -2.785 7.611 -5.985 1.00 0.00 ATOM 950 N TYR A 128 -1.701 8.225 -6.441 1.00 0.00 ATOM 951 CA TYR A 128 -0.698 7.573 -7.252 1.00 0.00 ATOM 952 CB TYR A 128 -0.605 8.215 -8.649 1.00 0.00 ATOM 953 CG TYR A 128 -1.754 7.866 -9.532 1.00 0.00 ATOM 954 CD1 TYR A 128 -2.934 8.591 -9.447 1.00 0.00 ATOM 955 CD2 TYR A 128 -1.676 6.828 -10.458 1.00 0.00 ATOM 956 CE1 TYR A 128 -4.013 8.291 -10.263 1.00 0.00 ATOM 957 CE2 TYR A 128 -2.747 6.527 -11.282 1.00 0.00 ATOM 958 CZ TYR A 128 -3.910 7.262 -11.175 1.00 0.00 ATOM 959 OH TYR A 128 -4.975 7.012 -12.000 1.00 0.00 ATOM 960 O TYR A 128 0.960 8.415 -5.756 1.00 0.00 ATOM 961 C TYR A 128 0.629 7.517 -6.527 1.00 0.00 ATOM 962 N VAL A 129 1.431 6.452 -6.751 1.00 0.00 ATOM 963 CA VAL A 129 2.732 6.370 -6.133 1.00 0.00 ATOM 964 CB VAL A 129 2.741 5.175 -5.207 1.00 0.00 ATOM 965 CG1 VAL A 129 4.174 4.911 -4.746 1.00 0.00 ATOM 966 CG2 VAL A 129 1.851 5.466 -3.978 1.00 0.00 ATOM 967 O VAL A 129 3.395 5.197 -8.043 1.00 0.00 ATOM 968 C VAL A 129 3.674 6.111 -7.251 1.00 0.00 ATOM 969 N GLU A 130 4.786 6.838 -7.302 1.00 0.00 ATOM 970 CA GLU A 130 5.774 6.672 -8.349 1.00 0.00 ATOM 971 CB GLU A 130 5.694 7.620 -9.452 1.00 0.00 ATOM 972 CG GLU A 130 4.420 7.550 -10.276 1.00 0.00 ATOM 973 CD GLU A 130 4.185 6.172 -10.867 1.00 0.00 ATOM 974 OE1 GLU A 130 5.156 5.553 -11.345 1.00 0.00 ATOM 975 OE2 GLU A 130 3.023 5.711 -10.863 1.00 0.00 ATOM 976 O GLU A 130 7.520 7.430 -6.892 1.00 0.00 ATOM 977 C GLU A 130 7.155 6.582 -7.710 1.00 0.00 ATOM 978 N LEU A 131 7.898 5.573 -8.052 1.00 0.00 ATOM 979 CA LEU A 131 9.226 5.394 -7.468 1.00 0.00 ATOM 980 CB LEU A 131 9.728 3.971 -7.673 1.00 0.00 ATOM 981 CG LEU A 131 9.119 2.878 -6.774 1.00 0.00 ATOM 982 CD1 LEU A 131 9.937 1.604 -6.991 1.00 0.00 ATOM 983 CD2 LEU A 131 9.100 3.319 -5.292 1.00 0.00 ATOM 984 O LEU A 131 10.078 6.437 -9.429 1.00 0.00 ATOM 985 C LEU A 131 10.175 6.333 -8.205 1.00 0.00 ATOM 986 N ILE A 132 11.031 7.035 -7.446 1.00 0.00 ATOM 987 CA ILE A 132 11.983 7.972 -8.024 1.00 0.00 ATOM 988 CB ILE A 132 12.755 8.744 -6.926 1.00 0.00 ATOM 989 CG1 ILE A 132 11.813 9.700 -6.190 1.00 0.00 ATOM 990 CG2 ILE A 132 13.907 9.521 -7.541 1.00 0.00 ATOM 991 CD1 ILE A 132 11.295 10.841 -7.051 1.00 0.00 ATOM 992 O ILE A 132 13.304 7.617 -10.001 1.00 0.00 ATOM 993 C ILE A 132 12.972 7.198 -8.893 1.00 0.00 ATOM 994 N GLU A 133 13.452 5.995 -8.372 1.00 0.00 ATOM 995 CA GLU A 133 14.375 5.169 -9.140 1.00 0.00 ATOM 996 CB GLU A 133 14.882 4.035 -8.254 1.00 0.00 ATOM 997 CG GLU A 133 16.022 3.256 -8.922 1.00 0.00 ATOM 998 CD GLU A 133 16.694 2.213 -8.021 1.00 0.00 ATOM 999 OE1 GLU A 133 16.186 1.898 -6.918 1.00 0.00 ATOM 1000 OE2 GLU A 133 17.763 1.688 -8.445 1.00 0.00 ATOM 1001 O GLU A 133 14.321 4.597 -11.465 1.00 0.00 ATOM 1002 C GLU A 133 13.702 4.637 -10.401 1.00 0.00 ATOM 1003 N LEU A 134 12.429 4.282 -10.306 1.00 0.00 ATOM 1004 CA LEU A 134 11.685 3.773 -11.455 1.00 0.00 ATOM 1005 CB LEU A 134 10.307 3.267 -11.100 1.00 0.00 ATOM 1006 CG LEU A 134 9.493 2.666 -12.249 1.00 0.00 ATOM 1007 CD1 LEU A 134 10.195 1.503 -12.884 1.00 0.00 ATOM 1008 CD2 LEU A 134 8.128 2.253 -11.726 1.00 0.00 ATOM 1009 O LEU A 134 11.679 4.638 -13.687 1.00 0.00 ATOM 1010 C LEU A 134 11.529 4.878 -12.493 1.00 0.00 ATOM 1011 N GLU A 135 11.241 6.073 -12.021 1.00 0.00 ATOM 1012 CA GLU A 135 11.109 7.227 -12.915 1.00 0.00 ATOM 1013 CB GLU A 135 10.549 8.446 -12.166 1.00 0.00 ATOM 1014 CG GLU A 135 10.297 9.572 -13.071 1.00 0.00 ATOM 1015 CD GLU A 135 9.161 9.332 -14.057 1.00 0.00 ATOM 1016 OE1 GLU A 135 9.126 10.094 -15.041 1.00 0.00 ATOM 1017 OE2 GLU A 135 8.316 8.406 -13.854 1.00 0.00 ATOM 1018 O GLU A 135 12.525 8.027 -14.671 1.00 0.00 ATOM 1019 C GLU A 135 12.463 7.583 -13.557 1.00 0.00 ATOM 1020 N HIS A 136 13.565 7.390 -12.816 1.00 0.00 ATOM 1021 CA HIS A 136 14.885 7.675 -13.338 1.00 0.00 ATOM 1022 CB HIS A 136 15.890 7.421 -12.193 1.00 0.00 ATOM 1023 CG HIS A 136 17.310 7.761 -12.517 1.00 0.00 ATOM 1024 CD2 HIS A 136 17.932 8.059 -13.683 1.00 0.00 ATOM 1025 ND1 HIS A 136 18.299 7.761 -11.544 1.00 0.00 ATOM 1026 CE1 HIS A 136 19.467 8.035 -12.101 1.00 0.00 ATOM 1027 NE2 HIS A 136 19.276 8.216 -13.398 1.00 0.00 ATOM 1028 O HIS A 136 15.638 7.185 -15.613 1.00 0.00 ATOM 1029 C HIS A 136 15.178 6.739 -14.555 1.00 0.00 ATOM 1030 N HIS A 137 14.893 5.449 -14.405 1.00 0.00 ATOM 1031 CA HIS A 137 15.156 4.509 -15.504 1.00 0.00 ATOM 1032 CB HIS A 137 14.848 3.101 -15.037 1.00 0.00 ATOM 1033 CG HIS A 137 15.693 2.646 -13.891 1.00 0.00 ATOM 1034 CD2 HIS A 137 16.848 3.136 -13.382 1.00 0.00 ATOM 1035 ND1 HIS A 137 15.308 1.615 -13.059 1.00 0.00 ATOM 1036 CE1 HIS A 137 16.189 1.495 -12.076 1.00 0.00 ATOM 1037 NE2 HIS A 137 17.133 2.408 -12.248 1.00 0.00 ATOM 1038 O HIS A 137 14.727 4.852 -17.880 1.00 0.00 ATOM 1039 C HIS A 137 14.280 4.865 -16.717 1.00 0.00 ATOM 1040 N HIS A 138 12.958 5.214 -16.382 1.00 0.00 ATOM 1041 CA HIS A 138 12.019 5.574 -17.441 1.00 0.00 ATOM 1042 CB HIS A 138 10.583 5.575 -16.868 1.00 0.00 ATOM 1043 CG HIS A 138 9.504 5.892 -17.862 1.00 0.00 ATOM 1044 CD2 HIS A 138 8.469 6.767 -17.801 1.00 0.00 ATOM 1045 ND1 HIS A 138 9.416 5.282 -19.094 1.00 0.00 ATOM 1046 CE1 HIS A 138 8.382 5.779 -19.757 1.00 0.00 ATOM 1047 NE2 HIS A 138 7.790 6.680 -19.000 1.00 0.00 ATOM 1048 O HIS A 138 12.352 7.042 -19.357 1.00 0.00 ATOM 1049 C HIS A 138 12.418 6.909 -18.142 1.00 0.00 ATOM 1050 N HIS A 139 12.864 7.874 -17.367 1.00 0.00 ATOM 1051 CA HIS A 139 13.278 9.178 -17.899 1.00 0.00 ATOM 1052 CB HIS A 139 13.534 10.156 -16.739 1.00 0.00 ATOM 1053 CG HIS A 139 13.643 11.582 -17.171 1.00 0.00 ATOM 1054 CD2 HIS A 139 12.704 12.540 -17.328 1.00 0.00 ATOM 1055 ND1 HIS A 139 14.839 12.149 -17.541 1.00 0.00 ATOM 1056 CE1 HIS A 139 14.638 13.405 -17.893 1.00 0.00 ATOM 1057 NE2 HIS A 139 13.352 13.669 -17.765 1.00 0.00 ATOM 1058 O HIS A 139 14.597 9.659 -19.851 1.00 0.00 ATOM 1059 C HIS A 139 14.502 9.034 -18.788 1.00 0.00 ATOM 1060 N HIS A 140 15.404 8.135 -18.418 1.00 0.00 ATOM 1061 CA HIS A 140 16.620 7.920 -19.195 1.00 0.00 ATOM 1062 CB HIS A 140 17.596 6.993 -18.442 1.00 0.00 ATOM 1063 CG HIS A 140 18.692 6.442 -19.299 1.00 0.00 ATOM 1064 CD2 HIS A 140 19.919 6.929 -19.608 1.00 0.00 ATOM 1065 ND1 HIS A 140 18.584 5.230 -19.960 1.00 0.00 ATOM 1066 CE1 HIS A 140 19.688 5.009 -20.654 1.00 0.00 ATOM 1067 NE2 HIS A 140 20.514 6.026 -20.460 1.00 0.00 ATOM 1068 O HIS A 140 16.881 7.699 -21.583 1.00 0.00 ATOM 1069 C HIS A 140 16.296 7.319 -20.563 1.00 0.00 ATOM 1070 N HIS A 141 15.402 6.330 -20.571 1.00 0.00 ATOM 1071 CA HIS A 141 15.005 5.661 -21.810 1.00 0.00 ATOM 1072 CB HIS A 141 14.261 4.389 -21.439 1.00 0.00 ATOM 1073 CG HIS A 141 15.151 3.266 -21.003 1.00 0.00 ATOM 1074 CD2 HIS A 141 15.254 2.606 -19.829 1.00 0.00 ATOM 1075 ND1 HIS A 141 16.114 2.730 -21.832 1.00 0.00 ATOM 1076 CE1 HIS A 141 16.733 1.745 -21.205 1.00 0.00 ATOM 1077 NE2 HIS A 141 16.236 1.648 -19.985 1.00 0.00 ATOM 1078 O HIS A 141 14.304 6.439 -23.948 1.00 0.00 ATOM 1079 C HIS A 141 14.184 6.559 -22.737 1.00 0.00 ENDMDL EXPDTA 2hi6A MODEL 2 REMARK 44 REMARK 44 model 2 is called 2hi6A ATOM 1 N VAL 2 5.514 15.241 -11.173 1.00 0.00 ATOM 2 CA VAL 2 5.511 15.532 -9.748 1.00 0.00 ATOM 3 CB VAL 2 4.099 15.902 -9.243 1.00 0.00 ATOM 4 CG1 VAL 2 4.146 16.373 -7.796 1.00 0.00 ATOM 5 CG2 VAL 2 3.469 16.970 -10.124 1.00 0.00 ATOM 6 O VAL 2 5.685 13.194 -9.239 1.00 0.00 ATOM 7 C VAL 2 6.032 14.340 -8.958 1.00 0.00 ATOM 8 N LYS 3 6.875 14.619 -7.981 1.00 0.00 ATOM 9 CA LYS 3 7.428 13.586 -7.127 1.00 0.00 ATOM 10 CB LYS 3 8.897 13.333 -7.495 1.00 0.00 ATOM 11 CG LYS 3 9.741 14.598 -7.580 1.00 0.00 ATOM 12 CD LYS 3 11.076 14.334 -8.253 1.00 0.00 ATOM 13 CE LYS 3 11.943 15.583 -8.284 1.00 0.00 ATOM 14 NZ LYS 3 13.136 15.403 -9.151 1.00 0.00 ATOM 15 O LYS 3 7.875 14.974 -5.222 1.00 0.00 ATOM 16 C LYS 3 7.276 13.997 -5.667 1.00 0.00 ATOM 17 N PHE 4 6.450 13.267 -4.933 1.00 0.00 ATOM 18 CA PHE 4 6.156 13.621 -3.549 1.00 0.00 ATOM 19 CB PHE 4 4.706 13.284 -3.188 1.00 0.00 ATOM 20 CG PHE 4 3.673 14.062 -3.954 1.00 0.00 ATOM 21 CD1 PHE 4 3.005 13.485 -5.023 1.00 0.00 ATOM 22 CD2 PHE 4 3.359 15.364 -3.596 1.00 0.00 ATOM 23 CE1 PHE 4 2.044 14.193 -5.720 1.00 0.00 ATOM 24 CE2 PHE 4 2.401 16.077 -4.290 1.00 0.00 ATOM 25 CZ PHE 4 1.743 15.491 -5.353 1.00 0.00 ATOM 26 O PHE 4 7.579 11.809 -2.884 1.00 0.00 ATOM 27 C PHE 4 7.084 12.895 -2.587 1.00 0.00 ATOM 28 N ALA 5 7.308 13.505 -1.435 1.00 0.00 ATOM 29 CA ALA 5 8.083 12.884 -0.374 1.00 0.00 ATOM 30 CB ALA 5 9.068 13.880 0.221 1.00 0.00 ATOM 31 O ALA 5 6.333 13.105 1.244 1.00 0.00 ATOM 32 C ALA 5 7.147 12.355 0.701 1.00 0.00 ATOM 33 N CYS 6 7.255 11.074 1.006 1.00 0.00 ATOM 34 CA CYS 6 6.354 10.452 1.960 1.00 0.00 ATOM 35 CB CYS 6 5.561 9.336 1.279 1.00 0.00 ATOM 36 SG CYS 6 4.683 9.861 -0.209 1.00 0.00 ATOM 37 O CYS 6 8.358 9.895 3.162 1.00 0.00 ATOM 38 C CYS 6 7.126 9.894 3.150 1.00 0.00 ATOM 39 N ARG 7 6.396 9.414 4.140 1.00 0.00 ATOM 40 CA ARG 7 6.993 8.860 5.339 1.00 0.00 ATOM 41 CB ARG 7 6.114 9.191 6.545 1.00 0.00 ATOM 42 CG ARG 7 6.607 8.628 7.864 1.00 0.00 ATOM 43 CD ARG 7 5.733 9.107 9.013 1.00 0.00 ATOM 44 NE ARG 7 6.119 8.514 10.293 1.00 0.00 ATOM 45 CZ ARG 7 6.044 9.153 11.463 1.00 0.00 ATOM 46 NH1 ARG 7 5.628 10.417 11.508 1.00 0.00 ATOM 47 NH2 ARG 7 6.393 8.535 12.583 1.00 0.00 ATOM 48 O ARG 7 6.181 6.614 5.099 1.00 0.00 ATOM 49 C ARG 7 7.160 7.358 5.171 1.00 0.00 ATOM 50 N ALA 8 8.403 6.926 5.083 1.00 0.00 ATOM 51 CA ALA 8 8.714 5.545 4.744 1.00 0.00 ATOM 52 CB ALA 8 10.000 5.480 3.931 1.00 0.00 ATOM 53 O ALA 8 9.401 5.093 6.998 1.00 0.00 ATOM 54 C ALA 8 8.832 4.678 5.986 1.00 0.00 ATOM 55 N ILE 9 8.272 3.480 5.913 1.00 0.00 ATOM 56 CA ILE 9 8.406 2.518 6.989 1.00 0.00 ATOM 57 CB ILE 9 7.063 1.841 7.359 1.00 0.00 ATOM 58 CG1 ILE 9 6.020 2.872 7.811 1.00 0.00 ATOM 59 CG2 ILE 9 7.280 0.815 8.458 1.00 0.00 ATOM 60 CD1 ILE 9 5.327 3.595 6.675 1.00 0.00 ATOM 61 O ILE 9 10.375 1.183 7.318 1.00 0.00 ATOM 62 C ILE 9 9.419 1.454 6.590 1.00 0.00 ATOM 63 N THR 10 9.211 0.868 5.421 1.00 0.00 ATOM 64 CA THR 10 10.141 -0.103 4.876 1.00 0.00 ATOM 65 CB THR 10 9.401 -1.339 4.319 1.00 0.00 ATOM 66 CG2 THR 10 8.712 -2.101 5.438 1.00 0.00 ATOM 67 OG1 THR 10 8.426 -0.943 3.346 1.00 0.00 ATOM 68 O THR 10 10.771 1.714 3.448 1.00 0.00 ATOM 69 C THR 10 10.984 0.547 3.782 1.00 0.00 ATOM 70 N ARG 11 11.937 -0.192 3.231 1.00 0.00 ATOM 71 CA ARG 11 12.838 0.364 2.231 1.00 0.00 ATOM 72 CB ARG 11 14.270 0.397 2.770 1.00 0.00 ATOM 73 CG ARG 11 14.418 1.264 4.009 1.00 0.00 ATOM 74 CD ARG 11 15.854 1.321 4.496 1.00 0.00 ATOM 75 NE ARG 11 15.979 2.133 5.704 1.00 0.00 ATOM 76 CZ ARG 11 16.993 2.955 5.954 1.00 0.00 ATOM 77 NH1 ARG 11 17.984 3.083 5.079 1.00 0.00 ATOM 78 NH2 ARG 11 17.020 3.641 7.091 1.00 0.00 ATOM 79 O ARG 11 11.963 -1.349 0.798 1.00 0.00 ATOM 80 C ARG 11 12.772 -0.430 0.932 1.00 0.00 ATOM 81 N GLY 12 13.622 -0.071 -0.019 1.00 0.00 ATOM 82 CA GLY 12 13.575 -0.685 -1.329 1.00 0.00 ATOM 83 O GLY 12 12.347 1.254 -1.966 1.00 0.00 ATOM 84 C GLY 12 12.902 0.221 -2.336 1.00 0.00 ATOM 85 N ARG 13 12.941 -0.148 -3.603 1.00 0.00 ATOM 86 CA ARG 13 12.344 0.681 -4.639 1.00 0.00 ATOM 87 CB ARG 13 13.396 1.602 -5.290 1.00 0.00 ATOM 88 CG ARG 13 14.374 0.925 -6.250 1.00 0.00 ATOM 89 CD ARG 13 15.190 -0.186 -5.595 1.00 0.00 ATOM 90 NE ARG 13 15.917 0.257 -4.405 1.00 0.00 ATOM 91 CZ ARG 13 17.091 -0.244 -4.024 1.00 0.00 ATOM 92 NH1 ARG 13 17.730 -1.123 -4.789 1.00 0.00 ATOM 93 NH2 ARG 13 17.633 0.133 -2.874 1.00 0.00 ATOM 94 O ARG 13 12.131 -1.249 -6.056 1.00 0.00 ATOM 95 C ARG 13 11.638 -0.186 -5.677 1.00 0.00 ATOM 96 N ALA 14 10.477 0.264 -6.122 1.00 0.00 ATOM 97 CA ALA 14 9.651 -0.523 -7.023 1.00 0.00 ATOM 98 CB ALA 14 8.511 -1.166 -6.253 1.00 0.00 ATOM 99 O ALA 14 8.797 1.501 -7.990 1.00 0.00 ATOM 100 C ALA 14 9.103 0.321 -8.163 1.00 0.00 ATOM 101 N GLU 15 8.981 -0.297 -9.328 1.00 0.00 ATOM 102 CA GLU 15 8.459 0.370 -10.508 1.00 0.00 ATOM 103 CB GLU 15 9.564 0.540 -11.567 1.00 0.00 ATOM 104 CG GLU 15 10.085 -0.767 -12.175 1.00 0.00 ATOM 105 CD GLU 15 10.821 -1.656 -11.186 1.00 0.00 ATOM 106 OE1 GLU 15 12.062 -1.560 -11.109 1.00 0.00 ATOM 107 OE2 GLU 15 10.163 -2.462 -10.486 1.00 0.00 ATOM 108 O GLU 15 7.403 -1.610 -11.383 1.00 0.00 ATOM 109 C GLU 15 7.282 -0.420 -11.080 1.00 0.00 ATOM 110 N GLY 16 6.135 0.224 -11.204 1.00 0.00 ATOM 111 CA GLY 16 4.987 -0.459 -11.754 1.00 0.00 ATOM 112 O GLY 16 3.971 1.697 -11.889 1.00 0.00 ATOM 113 C GLY 16 3.871 0.487 -12.116 1.00 0.00 ATOM 114 N GLU 17 2.820 -0.065 -12.693 1.00 0.00 ATOM 115 CA GLU 17 1.647 0.707 -13.053 1.00 0.00 ATOM 116 CB GLU 17 0.819 -0.065 -14.078 1.00 0.00 ATOM 117 CG GLU 17 -0.400 0.686 -14.573 1.00 0.00 ATOM 118 CD GLU 17 -1.210 -0.133 -15.546 1.00 0.00 ATOM 119 OE1 GLU 17 -2.168 -0.799 -15.110 1.00 0.00 ATOM 120 OE2 GLU 17 -0.875 -0.133 -16.748 1.00 0.00 ATOM 121 O GLU 17 0.627 0.126 -10.963 1.00 0.00 ATOM 122 C GLU 17 0.817 1.000 -11.810 1.00 0.00 ATOM 123 N ALA 18 0.327 2.222 -11.708 1.00 0.00 ATOM 124 CA ALA 18 -0.424 2.651 -10.544 1.00 0.00 ATOM 125 CB ALA 18 -0.376 4.166 -10.412 1.00 0.00 ATOM 126 O ALA 18 -2.560 2.425 -11.607 1.00 0.00 ATOM 127 C ALA 18 -1.865 2.172 -10.624 1.00 0.00 ATOM 128 N LEU 19 -2.289 1.465 -9.593 1.00 0.00 ATOM 129 CA LEU 19 -3.652 0.979 -9.490 1.00 0.00 ATOM 130 CB LEU 19 -3.652 -0.557 -9.421 1.00 0.00 ATOM 131 CG LEU 19 -4.989 -1.257 -9.710 1.00 0.00 ATOM 132 CD1 LEU 19 -4.758 -2.741 -9.919 1.00 0.00 ATOM 133 CD2 LEU 19 -5.989 -1.048 -8.579 1.00 0.00 ATOM 134 O LEU 19 -3.805 1.392 -7.129 1.00 0.00 ATOM 135 C LEU 19 -4.298 1.575 -8.245 1.00 0.00 ATOM 136 N VAL 20 -5.389 2.294 -8.433 1.00 0.00 ATOM 137 CA VAL 20 -6.078 2.912 -7.321 1.00 0.00 ATOM 138 CB VAL 20 -6.224 4.444 -7.537 1.00 0.00 ATOM 139 CG1 VAL 20 -7.176 4.789 -8.674 1.00 0.00 ATOM 140 CG2 VAL 20 -6.648 5.123 -6.258 1.00 0.00 ATOM 141 O VAL 20 -8.272 2.180 -8.001 1.00 0.00 ATOM 142 C VAL 20 -7.435 2.237 -7.099 1.00 0.00 ATOM 143 N THR 21 -7.629 1.673 -5.910 1.00 0.00 ATOM 144 CA THR 21 -8.849 0.923 -5.624 1.00 0.00 ATOM 145 CB THR 21 -8.552 -0.304 -4.735 1.00 0.00 ATOM 146 CG2 THR 21 -8.135 0.136 -3.342 1.00 0.00 ATOM 147 OG1 THR 21 -9.701 -1.160 -4.639 1.00 0.00 ATOM 148 O THR 21 -11.046 1.392 -4.770 1.00 0.00 ATOM 149 C THR 21 -9.898 1.803 -4.961 1.00 0.00 ATOM 150 N LYS 22 -9.484 3.020 -4.638 1.00 0.00 ATOM 151 CA LYS 22 -10.370 4.056 -4.105 1.00 0.00 ATOM 152 CB LYS 22 -11.538 4.272 -5.079 1.00 0.00 ATOM 153 CG LYS 22 -12.709 5.052 -4.507 1.00 0.00 ATOM 154 CD LYS 22 -13.876 5.070 -5.483 1.00 0.00 ATOM 155 CE LYS 22 -15.129 5.649 -4.850 1.00 0.00 ATOM 156 NZ LYS 22 -16.262 5.702 -5.809 1.00 0.00 ATOM 157 O LYS 22 -10.625 4.521 -1.761 1.00 0.00 ATOM 158 C LYS 22 -10.887 3.755 -2.687 1.00 0.00 ATOM 159 N GLU 23 -11.613 2.655 -2.528 1.00 0.00 ATOM 160 CA GLU 23 -12.302 2.347 -1.275 1.00 0.00 ATOM 161 CB GLU 23 -13.328 1.233 -1.500 1.00 0.00 ATOM 162 CG GLU 23 -14.550 1.679 -2.291 1.00 0.00 ATOM 163 CD GLU 23 -15.366 2.722 -1.553 1.00 0.00 ATOM 164 OE1 GLU 23 -15.462 3.869 -2.042 1.00 0.00 ATOM 165 OE2 GLU 23 -15.911 2.404 -0.477 1.00 0.00 ATOM 166 O GLU 23 -10.178 1.609 -0.405 1.00 0.00 ATOM 167 C GLU 23 -11.338 1.947 -0.158 1.00 0.00 ATOM 168 N TYR 24 -11.844 1.984 1.073 1.00 0.00 ATOM 169 CA TYR 24 -11.060 1.631 2.248 1.00 0.00 ATOM 170 CB TYR 24 -11.640 2.268 3.516 1.00 0.00 ATOM 171 CG TYR 24 -11.642 3.780 3.547 1.00 0.00 ATOM 172 CD1 TYR 24 -10.542 4.486 4.017 1.00 0.00 ATOM 173 CD2 TYR 24 -12.760 4.500 3.140 1.00 0.00 ATOM 174 CE1 TYR 24 -10.559 5.866 4.082 1.00 0.00 ATOM 175 CE2 TYR 24 -12.779 5.880 3.197 1.00 0.00 ATOM 176 CZ TYR 24 -11.679 6.558 3.670 1.00 0.00 ATOM 177 OH TYR 24 -11.700 7.933 3.746 1.00 0.00 ATOM 178 O TYR 24 -11.767 -0.419 3.282 1.00 0.00 ATOM 179 C TYR 24 -11.037 0.118 2.444 1.00 0.00 ATOM 180 N ILE 25 -10.219 -0.574 1.673 1.00 0.00 ATOM 181 CA ILE 25 -10.108 -2.016 1.812 1.00 0.00 ATOM 182 CB ILE 25 -10.231 -2.756 0.459 1.00 0.00 ATOM 183 CG1 ILE 25 -9.177 -2.268 -0.540 1.00 0.00 ATOM 184 CG2 ILE 25 -11.630 -2.573 -0.114 1.00 0.00 ATOM 185 CD1 ILE 25 -9.159 -3.051 -1.837 1.00 0.00 ATOM 186 O ILE 25 -7.745 -1.826 2.176 1.00 0.00 ATOM 187 C ILE 25 -8.796 -2.384 2.488 1.00 0.00 ATOM 188 N SER 26 -8.869 -3.305 3.432 1.00 0.00 ATOM 189 CA SER 26 -7.694 -3.718 4.175 1.00 0.00 ATOM 190 CB SER 26 -7.956 -3.603 5.679 1.00 0.00 ATOM 191 OG SER 26 -6.763 -3.780 6.425 1.00 0.00 ATOM 192 O SER 26 -8.021 -5.799 3.028 1.00 0.00 ATOM 193 C SER 26 -7.319 -5.147 3.802 1.00 0.00 ATOM 194 N PHE 27 -6.235 -5.638 4.380 1.00 0.00 ATOM 195 CA PHE 27 -5.703 -6.945 4.028 1.00 0.00 ATOM 196 CB PHE 27 -4.187 -6.947 4.190 1.00 0.00 ATOM 197 CG PHE 27 -3.515 -5.938 3.308 1.00 0.00 ATOM 198 CD1 PHE 27 -2.970 -4.784 3.844 1.00 0.00 ATOM 199 CD2 PHE 27 -3.452 -6.135 1.938 1.00 0.00 ATOM 200 CE1 PHE 27 -2.371 -3.844 3.028 1.00 0.00 ATOM 201 CE2 PHE 27 -2.852 -5.200 1.118 1.00 0.00 ATOM 202 CZ PHE 27 -2.311 -4.054 1.665 1.00 0.00 ATOM 203 O PHE 27 -5.747 -9.092 5.108 1.00 0.00 ATOM 204 C PHE 27 -6.349 -8.049 4.854 1.00 0.00 ATOM 205 N LEU 28 -7.599 -7.811 5.245 1.00 0.00 ATOM 206 CA LEU 28 -8.428 -8.833 5.875 1.00 0.00 ATOM 207 CB LEU 28 -9.761 -8.214 6.322 1.00 0.00 ATOM 208 CG LEU 28 -10.180 -8.472 7.774 1.00 0.00 ATOM 209 CD1 LEU 28 -10.259 -9.963 8.066 1.00 0.00 ATOM 210 CD2 LEU 28 -9.225 -7.783 8.736 1.00 0.00 ATOM 211 O LEU 28 -9.009 -11.081 5.198 1.00 0.00 ATOM 212 C LEU 28 -8.692 -9.942 4.855 1.00 0.00 ATOM 213 N GLY 29 -8.551 -9.564 3.592 1.00 0.00 ATOM 214 CA GLY 29 -8.756 -10.465 2.483 1.00 0.00 ATOM 215 O GLY 29 -7.765 -8.969 0.913 1.00 0.00 ATOM 216 C GLY 29 -8.717 -9.702 1.176 1.00 0.00 ATOM 217 N GLY 30 -9.740 -9.873 0.357 1.00 0.00 ATOM 218 CA GLY 30 -9.874 -9.076 -0.844 1.00 0.00 ATOM 219 O GLY 30 -9.648 -9.701 -3.129 1.00 0.00 ATOM 220 C GLY 30 -9.130 -9.662 -2.024 1.00 0.00 ATOM 221 N ILE 31 -7.914 -10.112 -1.786 1.00 0.00 ATOM 222 CA ILE 31 -7.076 -10.677 -2.835 1.00 0.00 ATOM 223 CB ILE 31 -5.670 -10.032 -2.830 1.00 0.00 ATOM 224 CG1 ILE 31 -5.786 -8.507 -2.912 1.00 0.00 ATOM 225 CG2 ILE 31 -4.830 -10.565 -3.986 1.00 0.00 ATOM 226 CD1 ILE 31 -4.455 -7.789 -2.815 1.00 0.00 ATOM 227 O ILE 31 -6.780 -12.657 -1.513 1.00 0.00 ATOM 228 C ILE 31 -6.941 -12.185 -2.640 1.00 0.00 ATOM 229 N ASP 32 -7.042 -12.935 -3.731 1.00 0.00 ATOM 230 CA ASP 32 -6.861 -14.384 -3.685 1.00 0.00 ATOM 231 CB ASP 32 -7.223 -15.022 -5.026 1.00 0.00 ATOM 232 CG ASP 32 -7.177 -16.536 -4.973 1.00 0.00 ATOM 233 OD1 ASP 32 -6.064 -17.104 -4.987 1.00 0.00 ATOM 234 OD2 ASP 32 -8.256 -17.163 -4.935 1.00 0.00 ATOM 235 O ASP 32 -4.485 -14.196 -3.937 1.00 0.00 ATOM 236 C ASP 32 -5.419 -14.712 -3.320 1.00 0.00 ATOM 237 N LYS 33 -5.254 -15.587 -2.335 1.00 0.00 ATOM 238 CA LYS 33 -3.953 -15.855 -1.730 1.00 0.00 ATOM 239 CB LYS 33 -4.129 -16.792 -0.530 1.00 0.00 ATOM 240 CG LYS 33 -4.765 -18.132 -0.869 1.00 0.00 ATOM 241 CD LYS 33 -5.401 -18.769 0.357 1.00 0.00 ATOM 242 CE LYS 33 -5.975 -20.142 0.040 1.00 0.00 ATOM 243 NZ LYS 33 -4.908 -21.162 -0.133 1.00 0.00 ATOM 244 O LYS 33 -1.742 -16.139 -2.612 1.00 0.00 ATOM 245 C LYS 33 -2.932 -16.424 -2.722 1.00 0.00 ATOM 246 N GLU 34 -3.383 -17.213 -3.692 1.00 0.00 ATOM 247 CA GLU 34 -2.456 -17.813 -4.652 1.00 0.00 ATOM 248 CB GLU 34 -2.651 -19.327 -4.747 1.00 0.00 ATOM 249 CG GLU 34 -1.747 -20.124 -3.818 1.00 0.00 ATOM 250 CD GLU 34 -2.153 -20.040 -2.365 1.00 0.00 ATOM 251 OE1 GLU 34 -1.462 -19.357 -1.580 1.00 0.00 ATOM 252 OE2 GLU 34 -3.155 -20.682 -1.993 1.00 0.00 ATOM 253 O GLU 34 -1.614 -17.049 -6.764 1.00 0.00 ATOM 254 C GLU 34 -2.596 -17.196 -6.039 1.00 0.00 ATOM 255 N THR 35 -3.813 -16.839 -6.407 1.00 0.00 ATOM 256 CA THR 35 -4.086 -16.350 -7.748 1.00 0.00 ATOM 257 CB THR 35 -5.555 -16.571 -8.115 1.00 0.00 ATOM 258 CG2 THR 35 -5.743 -16.598 -9.622 1.00 0.00 ATOM 259 OG1 THR 35 -6.012 -17.814 -7.555 1.00 0.00 ATOM 260 O THR 35 -3.382 -14.405 -8.979 1.00 0.00 ATOM 261 C THR 35 -3.731 -14.867 -7.890 1.00 0.00 ATOM 262 N GLY 36 -3.814 -14.128 -6.788 1.00 0.00 ATOM 263 CA GLY 36 -3.479 -12.714 -6.811 1.00 0.00 ATOM 264 O GLY 36 -4.314 -10.741 -7.876 1.00 0.00 ATOM 265 C GLY 36 -4.562 -11.872 -7.453 1.00 0.00 ATOM 266 N ILE 37 -5.764 -12.425 -7.522 1.00 0.00 ATOM 267 CA ILE 37 -6.898 -11.728 -8.109 1.00 0.00 ATOM 268 CB ILE 37 -7.812 -12.699 -8.897 1.00 0.00 ATOM 269 CG1 ILE 37 -7.042 -13.359 -10.047 1.00 0.00 ATOM 270 CG2 ILE 37 -9.047 -11.978 -9.425 1.00 0.00 ATOM 271 CD1 ILE 37 -6.521 -12.384 -11.080 1.00 0.00 ATOM 272 O ILE 37 -8.028 -11.669 -6.000 1.00 0.00 ATOM 273 C ILE 37 -7.713 -11.049 -7.018 1.00 0.00 ATOM 274 N VAL 38 -8.028 -9.775 -7.216 1.00 0.00 ATOM 275 CA VAL 38 -8.883 -9.054 -6.286 1.00 0.00 ATOM 276 CB VAL 38 -8.819 -7.521 -6.496 1.00 0.00 ATOM 277 CG1 VAL 38 -7.478 -6.984 -6.036 1.00 0.00 ATOM 278 CG2 VAL 38 -9.063 -7.150 -7.949 1.00 0.00 ATOM 279 O VAL 38 -11.022 -9.304 -7.391 1.00 0.00 ATOM 280 C VAL 38 -10.326 -9.550 -6.401 1.00 0.00 ATOM 281 N LYS 39 -10.747 -10.276 -5.383 1.00 0.00 ATOM 282 CA LYS 39 -12.069 -10.870 -5.334 1.00 0.00 ATOM 283 CB LYS 39 -12.001 -12.205 -4.594 1.00 0.00 ATOM 284 CG LYS 39 -10.996 -13.176 -5.194 1.00 0.00 ATOM 285 CD LYS 39 -11.427 -13.648 -6.576 1.00 0.00 ATOM 286 CE LYS 39 -12.591 -14.624 -6.491 1.00 0.00 ATOM 287 NZ LYS 39 -12.187 -15.900 -5.842 1.00 0.00 ATOM 288 O LYS 39 -14.247 -10.154 -4.630 1.00 0.00 ATOM 289 C LYS 39 -13.037 -9.930 -4.634 1.00 0.00 ATOM 290 N GLU 40 -12.482 -8.888 -4.024 1.00 0.00 ATOM 291 CA GLU 40 -13.279 -7.866 -3.362 1.00 0.00 ATOM 292 CB GLU 40 -12.447 -7.146 -2.293 1.00 0.00 ATOM 293 CG GLU 40 -13.232 -6.131 -1.473 1.00 0.00 ATOM 294 CD GLU 40 -14.474 -6.724 -0.838 1.00 0.00 ATOM 295 OE1 GLU 40 -15.562 -6.624 -1.449 1.00 0.00 ATOM 296 OE2 GLU 40 -14.372 -7.284 0.269 1.00 0.00 ATOM 297 O GLU 40 -13.212 -6.689 -5.455 1.00 0.00 ATOM 298 C GLU 40 -13.811 -6.877 -4.394 1.00 0.00 ATOM 299 N ASP 41 -14.932 -6.255 -4.079 1.00 0.00 ATOM 300 CA ASP 41 -15.617 -5.384 -5.015 1.00 0.00 ATOM 301 CB ASP 41 -17.123 -5.634 -4.943 1.00 0.00 ATOM 302 CG ASP 41 -17.915 -4.713 -5.846 1.00 0.00 ATOM 303 OD1 ASP 41 -17.910 -4.935 -7.075 1.00 0.00 ATOM 304 OD2 ASP 41 -18.565 -3.780 -5.325 1.00 0.00 ATOM 305 O ASP 41 -15.276 -3.495 -3.574 1.00 0.00 ATOM 306 C ASP 41 -15.315 -3.919 -4.728 1.00 0.00 ATOM 307 N CYS 42 -15.089 -3.160 -5.789 1.00 0.00 ATOM 308 CA CYS 42 -14.860 -1.723 -5.693 1.00 0.00 ATOM 309 CB CYS 42 -13.437 -1.430 -5.191 1.00 0.00 ATOM 310 SG CYS 42 -12.126 -2.227 -6.147 1.00 0.00 ATOM 311 O CYS 42 -15.921 -0.178 -7.201 1.00 0.00 ATOM 312 C CYS 42 -15.095 -1.083 -7.055 1.00 0.00 ATOM 313 N GLU 43 -14.367 -1.583 -8.047 1.00 0.00 ATOM 314 CA GLU 43 -14.535 -1.175 -9.433 1.00 0.00 ATOM 315 CB GLU 43 -14.164 0.301 -9.624 1.00 0.00 ATOM 316 CG GLU 43 -14.325 0.782 -11.058 1.00 0.00 ATOM 317 CD GLU 43 -14.057 2.264 -11.217 1.00 0.00 ATOM 318 OE1 GLU 43 -15.023 3.029 -11.427 1.00 0.00 ATOM 319 OE2 GLU 43 -12.883 2.673 -11.139 1.00 0.00 ATOM 320 O GLU 43 -14.153 -2.655 -11.286 1.00 0.00 ATOM 321 C GLU 43 -13.670 -2.052 -10.329 1.00 0.00 ATOM 322 N ILE 44 -12.391 -2.151 -9.984 1.00 0.00 ATOM 323 CA ILE 44 -11.434 -2.924 -10.766 1.00 0.00 ATOM 324 CB ILE 44 -10.038 -2.260 -10.729 1.00 0.00 ATOM 325 CG1 ILE 44 -10.178 -0.743 -10.894 1.00 0.00 ATOM 326 CG2 ILE 44 -9.146 -2.828 -11.828 1.00 0.00 ATOM 327 CD1 ILE 44 -8.870 0.008 -10.780 1.00 0.00 ATOM 328 O ILE 44 -10.276 -4.932 -10.081 1.00 0.00 ATOM 329 C ILE 44 -11.352 -4.356 -10.233 1.00 0.00 ATOM 330 N LYS 45 -12.517 -4.927 -9.964 1.00 0.00 ATOM 331 CA LYS 45 -12.614 -6.288 -9.456 1.00 0.00 ATOM 332 CB LYS 45 -13.972 -6.485 -8.773 1.00 0.00 ATOM 333 CG LYS 45 -14.286 -7.924 -8.390 1.00 0.00 ATOM 334 CD LYS 45 -15.635 -8.020 -7.699 1.00 0.00 ATOM 335 CE LYS 45 -16.040 -9.463 -7.450 1.00 0.00 ATOM 336 NZ LYS 45 -17.345 -9.547 -6.746 1.00 0.00 ATOM 337 O LYS 45 -13.084 -7.182 -11.631 1.00 0.00 ATOM 338 C LYS 45 -12.437 -7.293 -10.590 1.00 0.00 ATOM 339 N GLY 46 -11.557 -8.263 -10.387 1.00 0.00 ATOM 340 CA GLY 46 -11.325 -9.277 -11.400 1.00 0.00 ATOM 341 O GLY 46 -9.462 -10.256 -12.527 1.00 0.00 ATOM 342 C GLY 46 -9.896 -9.284 -11.908 1.00 0.00 ATOM 343 N GLU 47 -9.162 -8.209 -11.650 1.00 0.00 ATOM 344 CA GLU 47 -7.777 -8.114 -12.100 1.00 0.00 ATOM 345 CB GLU 47 -7.426 -6.683 -12.501 1.00 0.00 ATOM 346 CG GLU 47 -7.910 -6.306 -13.886 1.00 0.00 ATOM 347 CD GLU 47 -7.259 -5.037 -14.386 1.00 0.00 ATOM 348 OE1 GLU 47 -7.984 -4.101 -14.771 1.00 0.00 ATOM 349 OE2 GLU 47 -6.008 -4.969 -14.386 1.00 0.00 ATOM 350 O GLU 47 -7.176 -8.872 -9.898 1.00 0.00 ATOM 351 C GLU 47 -6.799 -8.598 -11.039 1.00 0.00 ATOM 352 N SER 48 -5.538 -8.704 -11.434 1.00 0.00 ATOM 353 CA SER 48 -4.481 -9.131 -10.538 1.00 0.00 ATOM 354 CB SER 48 -3.627 -10.198 -11.227 1.00 0.00 ATOM 355 OG SER 48 -3.244 -9.783 -12.529 1.00 0.00 ATOM 356 O SER 48 -3.482 -6.966 -10.874 1.00 0.00 ATOM 357 C SER 48 -3.617 -7.942 -10.128 1.00 0.00 ATOM 358 N VAL 49 -3.041 -8.024 -8.939 1.00 0.00 ATOM 359 CA VAL 49 -2.163 -6.975 -8.429 1.00 0.00 ATOM 360 CB VAL 49 -2.483 -6.640 -6.956 1.00 0.00 ATOM 361 CG1 VAL 49 -3.864 -6.017 -6.839 1.00 0.00 ATOM 362 CG2 VAL 49 -2.388 -7.888 -6.087 1.00 0.00 ATOM 363 O VAL 49 0.186 -6.789 -7.941 1.00 0.00 ATOM 364 C VAL 49 -0.697 -7.388 -8.552 1.00 0.00 ATOM 365 N ALA 50 -0.453 -8.379 -9.398 1.00 0.00 ATOM 366 CA ALA 50 0.852 -8.997 -9.524 1.00 0.00 ATOM 367 CB ALA 50 0.726 -10.347 -10.211 1.00 0.00 ATOM 368 O ALA 50 1.837 -8.061 -11.506 1.00 0.00 ATOM 369 C ALA 50 1.827 -8.106 -10.275 1.00 0.00 ATOM 370 N GLY 51 2.604 -7.364 -9.517 1.00 0.00 ATOM 371 CA GLY 51 3.716 -6.629 -10.086 1.00 0.00 ATOM 372 O GLY 51 4.054 -4.585 -11.270 1.00 0.00 ATOM 373 C GLY 51 3.372 -5.202 -10.449 1.00 0.00 ATOM 374 N ARG 52 2.322 -4.670 -9.848 1.00 0.00 ATOM 375 CA ARG 52 1.942 -3.290 -10.083 1.00 0.00 ATOM 376 CB ARG 52 0.610 -3.225 -10.840 1.00 0.00 ATOM 377 CG ARG 52 -0.566 -3.855 -10.115 1.00 0.00 ATOM 378 CD ARG 52 -1.578 -4.448 -11.092 1.00 0.00 ATOM 379 NE ARG 52 -1.999 -3.504 -12.131 1.00 0.00 ATOM 380 CZ ARG 52 -3.084 -3.674 -12.900 1.00 0.00 ATOM 381 NH1 ARG 52 -3.875 -4.731 -12.723 1.00 0.00 ATOM 382 NH2 ARG 52 -3.371 -2.797 -13.856 1.00 0.00 ATOM 383 O ARG 52 2.081 -3.128 -7.692 1.00 0.00 ATOM 384 C ARG 52 1.890 -2.533 -8.758 1.00 0.00 ATOM 385 N ILE 53 1.656 -1.236 -8.825 1.00 0.00 ATOM 386 CA ILE 53 1.697 -0.386 -7.641 1.00 0.00 ATOM 387 CB ILE 53 2.387 0.969 -7.942 1.00 0.00 ATOM 388 CG1 ILE 53 3.819 0.747 -8.448 1.00 0.00 ATOM 389 CG2 ILE 53 2.391 1.863 -6.709 1.00 0.00 ATOM 390 CD1 ILE 53 4.711 0.010 -7.472 1.00 0.00 ATOM 391 O ILE 53 -0.597 0.231 -7.894 1.00 0.00 ATOM 392 C ILE 53 0.286 -0.140 -7.129 1.00 0.00 ATOM 393 N LEU 54 0.068 -0.360 -5.843 1.00 0.00 ATOM 394 CA LEU 54 -1.264 -0.225 -5.271 1.00 0.00 ATOM 395 CB LEU 54 -1.646 -1.499 -4.510 1.00 0.00 ATOM 396 CG LEU 54 -2.482 -2.515 -5.299 1.00 0.00 ATOM 397 CD1 LEU 54 -3.858 -1.945 -5.607 1.00 0.00 ATOM 398 CD2 LEU 54 -1.778 -2.920 -6.584 1.00 0.00 ATOM 399 O LEU 54 -0.505 1.196 -3.485 1.00 0.00 ATOM 400 C LEU 54 -1.354 0.990 -4.356 1.00 0.00 ATOM 401 N VAL 55 -2.384 1.796 -4.567 1.00 0.00 ATOM 402 CA VAL 55 -2.596 2.993 -3.770 1.00 0.00 ATOM 403 CB VAL 55 -2.598 4.261 -4.651 1.00 0.00 ATOM 404 CG1 VAL 55 -2.766 5.515 -3.804 1.00 0.00 ATOM 405 CG2 VAL 55 -1.326 4.343 -5.481 1.00 0.00 ATOM 406 O VAL 55 -4.973 2.669 -3.601 1.00 0.00 ATOM 407 C VAL 55 -3.916 2.906 -3.008 1.00 0.00 ATOM 408 N PHE 56 -3.843 3.085 -1.695 1.00 0.00 ATOM 409 CA PHE 56 -5.025 3.053 -0.836 1.00 0.00 ATOM 410 CB PHE 56 -5.036 1.799 0.061 1.00 0.00 ATOM 411 CG PHE 56 -4.825 0.486 -0.640 1.00 0.00 ATOM 412 CD1 PHE 56 -5.898 -0.339 -0.920 1.00 0.00 ATOM 413 CD2 PHE 56 -3.553 0.066 -0.990 1.00 0.00 ATOM 414 CE1 PHE 56 -5.708 -1.559 -1.540 1.00 0.00 ATOM 415 CE2 PHE 56 -3.357 -1.150 -1.614 1.00 0.00 ATOM 416 CZ PHE 56 -4.437 -1.964 -1.888 1.00 0.00 ATOM 417 O PHE 56 -3.949 4.687 0.539 1.00 0.00 ATOM 418 C PHE 56 -5.014 4.266 0.084 1.00 0.00 ATOM 419 N PRO 57 -6.184 4.842 0.382 1.00 0.00 ATOM 420 CA PRO 57 -6.293 5.885 1.399 1.00 0.00 ATOM 421 CB PRO 57 -7.696 6.455 1.185 1.00 0.00 ATOM 422 CG PRO 57 -8.468 5.350 0.548 1.00 0.00 ATOM 423 CD PRO 57 -7.483 4.542 -0.254 1.00 0.00 ATOM 424 O PRO 57 -5.446 5.821 3.658 1.00 0.00 ATOM 425 C PRO 57 -6.152 5.287 2.799 1.00 0.00 ATOM 426 N GLY 58 -6.808 4.150 2.992 1.00 0.00 ATOM 427 CA GLY 58 -6.771 3.441 4.249 1.00 0.00 ATOM 428 O GLY 58 -8.046 1.810 3.070 1.00 0.00 ATOM 429 C GLY 58 -7.535 2.137 4.143 1.00 0.00 ATOM 430 N GLY 59 -7.624 1.400 5.237 1.00 0.00 ATOM 431 CA GLY 59 -8.336 0.139 5.222 1.00 0.00 ATOM 432 O GLY 59 -8.610 0.094 7.591 1.00 0.00 ATOM 433 C GLY 59 -9.134 -0.073 6.488 1.00 0.00 ATOM 434 N LYS 60 -10.401 -0.434 6.335 1.00 0.00 ATOM 435 CA LYS 60 -11.272 -0.654 7.479 1.00 0.00 ATOM 436 CB LYS 60 -12.745 -0.629 7.045 1.00 0.00 ATOM 437 CG LYS 60 -13.140 -1.749 6.089 1.00 0.00 ATOM 438 CD LYS 60 -14.517 -1.515 5.485 1.00 0.00 ATOM 439 CE LYS 60 -15.589 -1.340 6.549 1.00 0.00 ATOM 440 NZ LYS 60 -15.834 -2.586 7.323 1.00 0.00 ATOM 441 O LYS 60 -10.624 -2.969 7.508 1.00 0.00 ATOM 442 C LYS 60 -10.925 -1.971 8.167 1.00 0.00 ATOM 443 N GLY 61 -10.942 -1.956 9.491 1.00 0.00 ATOM 444 CA GLY 61 -10.595 -3.132 10.256 1.00 0.00 ATOM 445 O GLY 61 -8.559 -2.848 11.474 1.00 0.00 ATOM 446 C GLY 61 -9.099 -3.257 10.446 1.00 0.00 ATOM 447 N SER 62 -8.436 -3.804 9.435 1.00 0.00 ATOM 448 CA SER 62 -6.988 -4.007 9.458 1.00 0.00 ATOM 449 CB SER 62 -6.269 -2.653 9.504 1.00 0.00 ATOM 450 OG SER 62 -6.625 -1.856 8.380 1.00 0.00 ATOM 451 O SER 62 -5.458 -4.767 11.148 1.00 0.00 ATOM 452 C SER 62 -6.564 -4.887 10.631 1.00 0.00 ATOM 453 N THR 63 -7.443 -5.800 11.016 1.00 0.00 ATOM 454 CA THR 63 -7.176 -6.693 12.127 1.00 0.00 ATOM 455 CB THR 63 -8.484 -7.329 12.624 1.00 0.00 ATOM 456 CG2 THR 63 -8.309 -7.908 14.017 1.00 0.00 ATOM 457 OG1 THR 63 -9.521 -6.337 12.648 1.00 0.00 ATOM 458 O THR 63 -5.492 -8.357 12.569 1.00 0.00 ATOM 459 C THR 63 -6.183 -7.786 11.725 1.00 0.00 ATOM 460 N VAL 64 -6.102 -8.064 10.432 1.00 0.00 ATOM 461 CA VAL 64 -5.187 -9.071 9.927 1.00 0.00 ATOM 462 CB VAL 64 -5.854 -10.468 9.839 1.00 0.00 ATOM 463 CG1 VAL 64 -6.810 -10.554 8.660 1.00 0.00 ATOM 464 CG2 VAL 64 -4.808 -11.571 9.766 1.00 0.00 ATOM 465 O VAL 64 -5.261 -7.815 7.887 1.00 0.00 ATOM 466 C VAL 64 -4.657 -8.651 8.559 1.00 0.00 ATOM 467 N GLY 65 -3.514 -9.204 8.174 1.00 0.00 ATOM 468 CA GLY 65 -2.936 -8.891 6.884 1.00 0.00 ATOM 469 O GLY 65 -0.811 -9.098 5.807 1.00 0.00 ATOM 470 C GLY 65 -1.430 -9.052 6.870 1.00 0.00 ATOM 471 N SER 66 -0.842 -9.169 8.055 1.00 0.00 ATOM 472 CA SER 66 0.607 -9.271 8.187 1.00 0.00 ATOM 473 CB SER 66 0.998 -9.196 9.667 1.00 0.00 ATOM 474 OG SER 66 2.406 -9.193 9.837 1.00 0.00 ATOM 475 O SER 66 2.311 -10.647 7.200 1.00 0.00 ATOM 476 C SER 66 1.138 -10.565 7.562 1.00 0.00 ATOM 477 N TYR 67 0.275 -11.568 7.433 1.00 0.00 ATOM 478 CA TYR 67 0.691 -12.858 6.892 1.00 0.00 ATOM 479 CB TYR 67 0.004 -14.004 7.638 1.00 0.00 ATOM 480 CG TYR 67 0.397 -14.121 9.096 1.00 0.00 ATOM 481 CD1 TYR 67 -0.510 -13.826 10.108 1.00 0.00 ATOM 482 CD2 TYR 67 1.677 -14.527 9.462 1.00 0.00 ATOM 483 CE1 TYR 67 -0.155 -13.939 11.440 1.00 0.00 ATOM 484 CE2 TYR 67 2.038 -14.640 10.792 1.00 0.00 ATOM 485 CZ TYR 67 1.118 -14.344 11.775 1.00 0.00 ATOM 486 OH TYR 67 1.470 -14.457 13.100 1.00 0.00 ATOM 487 O TYR 67 1.149 -13.602 4.654 1.00 0.00 ATOM 488 C TYR 67 0.391 -12.974 5.397 1.00 0.00 ATOM 489 N VAL 68 -0.709 -12.366 4.954 1.00 0.00 ATOM 490 CA VAL 68 -1.163 -12.532 3.574 1.00 0.00 ATOM 491 CB VAL 68 -2.609 -12.017 3.366 1.00 0.00 ATOM 492 CG1 VAL 68 -3.584 -12.808 4.227 1.00 0.00 ATOM 493 CG2 VAL 68 -2.721 -10.528 3.663 1.00 0.00 ATOM 494 O VAL 68 -0.033 -12.329 1.469 1.00 0.00 ATOM 495 C VAL 68 -0.222 -11.847 2.585 1.00 0.00 ATOM 496 N LEU 69 0.388 -10.744 3.010 1.00 0.00 ATOM 497 CA LEU 69 1.314 -10.001 2.159 1.00 0.00 ATOM 498 CB LEU 69 1.797 -8.738 2.875 1.00 0.00 ATOM 499 CG LEU 69 0.706 -7.706 3.171 1.00 0.00 ATOM 500 CD1 LEU 69 1.276 -6.530 3.949 1.00 0.00 ATOM 501 CD2 LEU 69 0.063 -7.228 1.878 1.00 0.00 ATOM 502 O LEU 69 2.970 -10.822 0.622 1.00 0.00 ATOM 503 C LEU 69 2.505 -10.869 1.761 1.00 0.00 ATOM 504 N LEU 70 2.976 -11.676 2.702 1.00 0.00 ATOM 505 CA LEU 70 4.110 -12.556 2.457 1.00 0.00 ATOM 506 CB LEU 70 4.643 -13.108 3.781 1.00 0.00 ATOM 507 CG LEU 70 5.878 -14.005 3.666 1.00 0.00 ATOM 508 CD1 LEU 70 7.057 -13.228 3.098 1.00 0.00 ATOM 509 CD2 LEU 70 6.231 -14.601 5.020 1.00 0.00 ATOM 510 O LEU 70 4.454 -14.075 0.625 1.00 0.00 ATOM 511 C LEU 70 3.708 -13.705 1.532 1.00 0.00 ATOM 512 N ASN 71 2.516 -14.254 1.758 1.00 0.00 ATOM 513 CA ASN 71 2.019 -15.377 0.959 1.00 0.00 ATOM 514 CB ASN 71 0.684 -15.882 1.507 1.00 0.00 ATOM 515 CG ASN 71 0.243 -17.179 0.853 1.00 0.00 ATOM 516 ND2 ASN 71 -0.502 -17.078 -0.234 1.00 0.00 ATOM 517 OD1 ASN 71 0.580 -18.266 1.321 1.00 0.00 ATOM 518 O ASN 71 2.252 -15.707 -1.411 1.00 0.00 ATOM 519 C ASN 71 1.860 -14.971 -0.501 1.00 0.00 ATOM 520 N LEU 72 1.295 -13.793 -0.717 1.00 0.00 ATOM 521 CA LEU 72 1.118 -13.263 -2.064 1.00 0.00 ATOM 522 CB LEU 72 0.347 -11.939 -2.018 1.00 0.00 ATOM 523 CG LEU 72 -1.078 -12.019 -1.465 1.00 0.00 ATOM 524 CD1 LEU 72 -1.673 -10.626 -1.327 1.00 0.00 ATOM 525 CD2 LEU 72 -1.949 -12.878 -2.365 1.00 0.00 ATOM 526 O LEU 72 2.645 -13.326 -3.928 1.00 0.00 ATOM 527 C LEU 72 2.470 -13.046 -2.738 1.00 0.00 ATOM 528 N ARG 73 3.431 -12.563 -1.962 1.00 0.00 ATOM 529 CA ARG 73 4.741 -12.212 -2.489 1.00 0.00 ATOM 530 CB ARG 73 5.543 -11.468 -1.430 1.00 0.00 ATOM 531 CG ARG 73 6.772 -10.764 -1.973 1.00 0.00 ATOM 532 CD ARG 73 6.402 -9.661 -2.956 1.00 0.00 ATOM 533 NE ARG 73 7.510 -8.729 -3.159 1.00 0.00 ATOM 534 CZ ARG 73 7.895 -8.258 -4.346 1.00 0.00 ATOM 535 NH1 ARG 73 7.252 -8.618 -5.454 1.00 0.00 ATOM 536 NH2 ARG 73 8.919 -7.416 -4.421 1.00 0.00 ATOM 537 O ARG 73 6.140 -13.434 -3.999 1.00 0.00 ATOM 538 C ARG 73 5.505 -13.449 -2.947 1.00 0.00 ATOM 539 N LYS 74 5.431 -14.526 -2.168 1.00 0.00 ATOM 540 CA LYS 74 6.136 -15.759 -2.514 1.00 0.00 ATOM 541 CB LYS 74 6.273 -16.675 -1.290 1.00 0.00 ATOM 542 CG LYS 74 4.950 -17.152 -0.713 1.00 0.00 ATOM 543 CD LYS 74 5.123 -17.847 0.635 1.00 0.00 ATOM 544 CE LYS 74 5.676 -19.266 0.509 1.00 0.00 ATOM 545 NZ LYS 74 7.096 -19.301 0.061 1.00 0.00 ATOM 546 O LYS 74 5.966 -17.445 -4.223 1.00 0.00 ATOM 547 C LYS 74 5.436 -16.483 -3.664 1.00 0.00 ATOM 548 N ASN 75 4.241 -16.021 -4.009 1.00 0.00 ATOM 549 CA ASN 75 3.536 -16.517 -5.179 1.00 0.00 ATOM 550 CB ASN 75 2.035 -16.598 -4.911 1.00 0.00 ATOM 551 CG ASN 75 1.619 -17.919 -4.299 1.00 0.00 ATOM 552 ND2 ASN 75 1.587 -17.977 -2.978 1.00 0.00 ATOM 553 OD1 ASN 75 1.331 -18.882 -5.012 1.00 0.00 ATOM 554 O ASN 75 3.560 -16.000 -7.523 1.00 0.00 ATOM 555 C ASN 75 3.802 -15.619 -6.379 1.00 0.00 ATOM 556 N GLY 76 4.299 -14.421 -6.102 1.00 0.00 ATOM 557 CA GLY 76 4.612 -13.480 -7.157 1.00 0.00 ATOM 558 O GLY 76 3.428 -12.026 -8.636 1.00 0.00 ATOM 559 C GLY 76 3.391 -12.721 -7.622 1.00 0.00 ATOM 560 N VAL 77 2.312 -12.841 -6.863 1.00 0.00 ATOM 561 CA VAL 77 1.049 -12.213 -7.221 1.00 0.00 ATOM 562 CB VAL 77 -0.119 -13.214 -7.128 1.00 0.00 ATOM 563 CG1 VAL 77 0.064 -14.332 -8.140 1.00 0.00 ATOM 564 CG2 VAL 77 -0.239 -13.780 -5.721 1.00 0.00 ATOM 565 O VAL 77 -0.348 -10.487 -6.303 1.00 0.00 ATOM 566 C VAL 77 0.764 -11.010 -6.328 1.00 0.00 ATOM 567 N ALA 78 1.786 -10.573 -5.607 1.00 0.00 ATOM 568 CA ALA 78 1.659 -9.431 -4.716 1.00 0.00 ATOM 569 CB ALA 78 2.537 -9.619 -3.489 1.00 0.00 ATOM 570 O ALA 78 2.785 -8.168 -6.415 1.00 0.00 ATOM 571 C ALA 78 2.039 -8.143 -5.430 1.00 0.00 ATOM 572 N PRO 79 1.518 -7.004 -4.953 1.00 0.00 ATOM 573 CA PRO 79 1.904 -5.692 -5.462 1.00 0.00 ATOM 574 CB PRO 79 0.967 -4.725 -4.728 1.00 0.00 ATOM 575 CG PRO 79 0.549 -5.456 -3.501 1.00 0.00 ATOM 576 CD PRO 79 0.509 -6.907 -3.882 1.00 0.00 ATOM 577 O PRO 79 3.873 -5.810 -4.101 1.00 0.00 ATOM 578 C PRO 79 3.358 -5.380 -5.134 1.00 0.00 ATOM 579 N LYS 80 4.021 -4.647 -6.014 1.00 0.00 ATOM 580 CA LYS 80 5.414 -4.294 -5.801 1.00 0.00 ATOM 581 CB LYS 80 6.004 -3.660 -7.054 1.00 0.00 ATOM 582 CG LYS 80 6.300 -4.634 -8.180 1.00 0.00 ATOM 583 CD LYS 80 7.077 -3.944 -9.287 1.00 0.00 ATOM 584 CE LYS 80 7.460 -4.899 -10.403 1.00 0.00 ATOM 585 NZ LYS 80 8.265 -4.212 -11.448 1.00 0.00 ATOM 586 O LYS 80 6.477 -3.458 -3.816 1.00 0.00 ATOM 587 C LYS 80 5.564 -3.327 -4.629 1.00 0.00 ATOM 588 N ALA 81 4.667 -2.352 -4.557 1.00 0.00 ATOM 589 CA ALA 81 4.720 -1.340 -3.510 1.00 0.00 ATOM 590 CB ALA 81 5.642 -0.201 -3.916 1.00 0.00 ATOM 591 O ALA 81 2.422 -0.890 -4.035 1.00 0.00 ATOM 592 C ALA 81 3.328 -0.812 -3.199 1.00 0.00 ATOM 593 N ILE 82 3.165 -0.280 -1.996 1.00 0.00 ATOM 594 CA ILE 82 1.873 0.208 -1.541 1.00 0.00 ATOM 595 CB ILE 82 1.247 -0.762 -0.511 1.00 0.00 ATOM 596 CG1 ILE 82 1.111 -2.164 -1.111 1.00 0.00 ATOM 597 CG2 ILE 82 -0.110 -0.248 -0.043 1.00 0.00 ATOM 598 CD1 ILE 82 0.692 -3.213 -0.108 1.00 0.00 ATOM 599 O ILE 82 2.871 1.803 -0.050 1.00 0.00 ATOM 600 C ILE 82 2.018 1.592 -0.914 1.00 0.00 ATOM 601 N ILE 83 1.202 2.539 -1.366 1.00 0.00 ATOM 602 CA ILE 83 1.226 3.891 -0.816 1.00 0.00 ATOM 603 CB ILE 83 1.399 4.976 -1.912 1.00 0.00 ATOM 604 CG1 ILE 83 2.205 4.440 -3.105 1.00 0.00 ATOM 605 CG2 ILE 83 2.087 6.214 -1.333 1.00 0.00 ATOM 606 CD1 ILE 83 3.632 4.070 -2.770 1.00 0.00 ATOM 607 O ILE 83 -1.166 3.926 -0.600 1.00 0.00 ATOM 608 C ILE 83 -0.075 4.154 -0.065 1.00 0.00 ATOM 609 N ASN 84 0.035 4.610 1.175 1.00 0.00 ATOM 610 CA ASN 84 -1.141 4.857 2.005 1.00 0.00 ATOM 611 CB ASN 84 -1.202 3.872 3.182 1.00 0.00 ATOM 612 CG ASN 84 -1.382 2.424 2.762 1.00 0.00 ATOM 613 ND2 ASN 84 -2.069 2.201 1.653 1.00 0.00 ATOM 614 OD1 ASN 84 -0.911 1.511 3.440 1.00 0.00 ATOM 615 O ASN 84 -0.083 6.915 2.602 1.00 0.00 ATOM 616 C ASN 84 -1.130 6.276 2.552 1.00 0.00 ATOM 617 N LYS 85 -2.297 6.759 2.953 1.00 0.00 ATOM 618 CA LYS 85 -2.400 8.049 3.626 1.00 0.00 ATOM 619 CB LYS 85 -3.710 8.757 3.242 1.00 0.00 ATOM 620 CG LYS 85 -3.648 10.279 3.339 1.00 0.00 ATOM 621 CD LYS 85 -3.642 10.772 4.776 1.00 0.00 ATOM 622 CE LYS 85 -3.346 12.261 4.847 1.00 0.00 ATOM 623 NZ LYS 85 -4.347 13.069 4.105 1.00 0.00 ATOM 624 O LYS 85 -1.775 8.606 5.886 1.00 0.00 ATOM 625 C LYS 85 -2.338 7.813 5.129 1.00 0.00 ATOM 626 N LYS 86 -2.926 6.703 5.545 1.00 0.00 ATOM 627 CA LYS 86 -2.858 6.256 6.924 1.00 0.00 ATOM 628 CB LYS 86 -4.099 6.714 7.695 1.00 0.00 ATOM 629 CG LYS 86 -4.041 6.421 9.185 1.00 0.00 ATOM 630 CD LYS 86 -5.317 6.852 9.885 1.00 0.00 ATOM 631 CE LYS 86 -5.244 6.600 11.382 1.00 0.00 ATOM 632 NZ LYS 86 -6.505 6.984 12.063 1.00 0.00 ATOM 633 O LYS 86 -3.728 4.030 6.722 1.00 0.00 ATOM 634 C LYS 86 -2.745 4.738 6.943 1.00 0.00 ATOM 635 N THR 87 -1.541 4.246 7.167 1.00 0.00 ATOM 636 CA THR 87 -1.285 2.820 7.096 1.00 0.00 ATOM 637 CB THR 87 0.092 2.531 6.452 1.00 0.00 ATOM 638 CG2 THR 87 1.235 2.869 7.401 1.00 0.00 ATOM 639 OG1 THR 87 0.178 1.152 6.069 1.00 0.00 ATOM 640 O THR 87 -1.629 2.865 9.482 1.00 0.00 ATOM 641 C THR 87 -1.368 2.184 8.483 1.00 0.00 ATOM 642 N GLU 88 -1.149 0.880 8.542 1.00 0.00 ATOM 643 CA GLU 88 -1.251 0.145 9.788 1.00 0.00 ATOM 644 CB GLU 88 -2.405 -0.862 9.718 1.00 0.00 ATOM 645 CG GLU 88 -3.241 -0.934 10.989 1.00 0.00 ATOM 646 CD GLU 88 -2.395 -1.093 12.231 1.00 0.00 ATOM 647 OE1 GLU 88 -2.143 -0.078 12.915 1.00 0.00 ATOM 648 OE2 GLU 88 -1.928 -2.219 12.497 1.00 0.00 ATOM 649 O GLU 88 0.787 -0.960 9.153 1.00 0.00 ATOM 650 C GLU 88 0.062 -0.580 10.074 1.00 0.00 ATOM 651 N THR 89 0.355 -0.771 11.353 1.00 0.00 ATOM 652 CA THR 89 1.576 -1.436 11.777 1.00 0.00 ATOM 653 CB THR 89 1.704 -1.409 13.311 1.00 0.00 ATOM 654 CG2 THR 89 3.095 -1.846 13.752 1.00 0.00 ATOM 655 OG1 THR 89 1.449 -0.082 13.791 1.00 0.00 ATOM 656 O THR 89 2.680 -3.369 10.882 1.00 0.00 ATOM 657 C THR 89 1.622 -2.880 11.281 1.00 0.00 ATOM 658 N ILE 90 0.475 -3.557 11.279 1.00 0.00 ATOM 659 CA ILE 90 0.414 -4.934 10.798 1.00 0.00 ATOM 660 CB ILE 90 -0.968 -5.587 11.065 1.00 0.00 ATOM 661 CG1 ILE 90 -2.114 -4.780 10.443 1.00 0.00 ATOM 662 CG2 ILE 90 -1.196 -5.755 12.556 1.00 0.00 ATOM 663 CD1 ILE 90 -2.530 -5.263 9.069 1.00 0.00 ATOM 664 O ILE 90 1.299 -6.014 8.836 1.00 0.00 ATOM 665 C ILE 90 0.756 -5.013 9.309 1.00 0.00 ATOM 666 N ILE 91 0.454 -3.941 8.584 1.00 0.00 ATOM 667 CA ILE 91 0.782 -3.856 7.169 1.00 0.00 ATOM 668 CB ILE 91 0.048 -2.677 6.487 1.00 0.00 ATOM 669 CG1 ILE 91 -1.467 -2.828 6.648 1.00 0.00 ATOM 670 CG2 ILE 91 0.424 -2.596 5.013 1.00 0.00 ATOM 671 CD1 ILE 91 -2.257 -1.672 6.074 1.00 0.00 ATOM 672 O ILE 91 2.915 -4.322 6.164 1.00 0.00 ATOM 673 C ILE 91 2.287 -3.683 7.008 1.00 0.00 ATOM 674 N ALA 92 2.855 -2.832 7.855 1.00 0.00 ATOM 675 CA ALA 92 4.283 -2.547 7.827 1.00 0.00 ATOM 676 CB ALA 92 4.625 -1.503 8.878 1.00 0.00 ATOM 677 O ALA 92 6.102 -4.040 7.368 1.00 0.00 ATOM 678 C ALA 92 5.103 -3.811 8.050 1.00 0.00 ATOM 679 N VAL 93 4.672 -4.630 9.004 1.00 0.00 ATOM 680 CA VAL 93 5.358 -5.882 9.308 1.00 0.00 ATOM 681 CB VAL 93 4.732 -6.593 10.531 1.00 0.00 ATOM 682 CG1 VAL 93 5.489 -7.870 10.859 1.00 0.00 ATOM 683 CG2 VAL 93 4.700 -5.668 11.740 1.00 0.00 ATOM 684 O VAL 93 6.353 -7.382 7.716 1.00 0.00 ATOM 685 C VAL 93 5.325 -6.824 8.108 1.00 0.00 ATOM 686 N GLY 94 4.144 -6.986 7.520 1.00 0.00 ATOM 687 CA GLY 94 4.005 -7.838 6.356 1.00 0.00 ATOM 688 O GLY 94 5.495 -8.125 4.503 1.00 0.00 ATOM 689 C GLY 94 4.824 -7.342 5.180 1.00 0.00 ATOM 690 N ALA 95 4.785 -6.035 4.950 1.00 0.00 ATOM 691 CA ALA 95 5.511 -5.416 3.849 1.00 0.00 ATOM 692 CB ALA 95 5.113 -3.954 3.720 1.00 0.00 ATOM 693 O ALA 95 7.771 -5.630 3.069 1.00 0.00 ATOM 694 C ALA 95 7.021 -5.542 4.038 1.00 0.00 ATOM 695 N ALA 96 7.461 -5.555 5.290 1.00 0.00 ATOM 696 CA ALA 96 8.882 -5.667 5.597 1.00 0.00 ATOM 697 CB ALA 96 9.135 -5.343 7.061 1.00 0.00 ATOM 698 O ALA 96 10.549 -7.210 4.829 1.00 0.00 ATOM 699 C ALA 96 9.410 -7.055 5.266 1.00 0.00 ATOM 700 N MET 97 8.573 -8.062 5.470 1.00 0.00 ATOM 701 CA MET 97 8.967 -9.444 5.226 1.00 0.00 ATOM 702 CB MET 97 8.104 -10.400 6.050 1.00 0.00 ATOM 703 CG MET 97 8.297 -10.265 7.554 1.00 0.00 ATOM 704 SD MET 97 7.287 -11.425 8.497 1.00 0.00 ATOM 705 CE MET 97 5.639 -10.911 8.019 1.00 0.00 ATOM 706 O MET 97 9.634 -10.589 3.227 1.00 0.00 ATOM 707 C MET 97 8.853 -9.795 3.748 1.00 0.00 ATOM 708 N ALA 98 7.872 -9.206 3.080 1.00 0.00 ATOM 709 CA ALA 98 7.623 -9.491 1.673 1.00 0.00 ATOM 710 CB ALA 98 6.134 -9.388 1.386 1.00 0.00 ATOM 711 O ALA 98 8.309 -8.660 -0.468 1.00 0.00 ATOM 712 C ALA 98 8.406 -8.554 0.751 1.00 0.00 ATOM 713 N GLU 99 9.184 -7.651 1.339 1.00 0.00 ATOM 714 CA GLU 99 9.923 -6.642 0.575 1.00 0.00 ATOM 715 CB GLU 99 11.044 -7.285 -0.254 1.00 0.00 ATOM 716 CG GLU 99 11.949 -6.279 -0.952 1.00 0.00 ATOM 717 CD GLU 99 13.096 -6.938 -1.686 1.00 0.00 ATOM 718 OE1 GLU 99 14.212 -6.985 -1.130 1.00 0.00 ATOM 719 OE2 GLU 99 12.892 -7.416 -2.820 1.00 0.00 ATOM 720 O GLU 99 9.038 -5.876 -1.547 1.00 0.00 ATOM 721 C GLU 99 8.961 -5.846 -0.315 1.00 0.00 ATOM 722 N ILE 100 8.031 -5.171 0.339 1.00 0.00 ATOM 723 CA ILE 100 7.040 -4.338 -0.330 1.00 0.00 ATOM 724 CB ILE 100 5.602 -4.887 -0.156 1.00 0.00 ATOM 725 CG1 ILE 100 5.498 -6.307 -0.725 1.00 0.00 ATOM 726 CG2 ILE 100 4.592 -3.970 -0.836 1.00 0.00 ATOM 727 CD1 ILE 100 4.135 -6.941 -0.543 1.00 0.00 ATOM 728 O ILE 100 6.517 -2.601 1.235 1.00 0.00 ATOM 729 C ILE 100 7.117 -2.912 0.206 1.00 0.00 ATOM 730 N PRO 101 7.952 -2.065 -0.429 1.00 0.00 ATOM 731 CA PRO 101 8.139 -0.664 -0.040 1.00 0.00 ATOM 732 CB PRO 101 8.729 -0.008 -1.302 1.00 0.00 ATOM 733 CG PRO 101 8.862 -1.094 -2.327 1.00 0.00 ATOM 734 CD PRO 101 8.774 -2.400 -1.591 1.00 0.00 ATOM 735 O PRO 101 5.960 0.275 -0.474 1.00 0.00 ATOM 736 C PRO 101 6.831 0.022 0.362 1.00 0.00 ATOM 737 N LEU 102 6.705 0.302 1.651 1.00 0.00 ATOM 738 CA LEU 102 5.503 0.902 2.203 1.00 0.00 ATOM 739 CB LEU 102 5.020 0.064 3.398 1.00 0.00 ATOM 740 CG LEU 102 3.536 0.191 3.783 1.00 0.00 ATOM 741 CD1 LEU 102 3.198 1.588 4.279 1.00 0.00 ATOM 742 CD2 LEU 102 2.647 -0.180 2.609 1.00 0.00 ATOM 743 O LEU 102 6.674 2.559 3.490 1.00 0.00 ATOM 744 C LEU 102 5.806 2.329 2.639 1.00 0.00 ATOM 745 N VAL 103 5.102 3.282 2.052 1.00 0.00 ATOM 746 CA VAL 103 5.275 4.679 2.408 1.00 0.00 ATOM 747 CB VAL 103 6.028 5.475 1.315 1.00 0.00 ATOM 748 CG1 VAL 103 7.469 5.000 1.187 1.00 0.00 ATOM 749 CG2 VAL 103 5.319 5.372 -0.023 1.00 0.00 ATOM 750 O VAL 103 2.920 5.011 2.047 1.00 0.00 ATOM 751 C VAL 103 3.925 5.335 2.683 1.00 0.00 ATOM 752 N GLU 104 3.911 6.241 3.645 1.00 0.00 ATOM 753 CA GLU 104 2.693 6.929 4.030 1.00 0.00 ATOM 754 CB GLU 104 2.490 6.806 5.542 1.00 0.00 ATOM 755 CG GLU 104 1.148 7.313 6.028 1.00 0.00 ATOM 756 CD GLU 104 0.941 7.052 7.501 1.00 0.00 ATOM 757 OE1 GLU 104 0.393 5.990 7.852 1.00 0.00 ATOM 758 OE2 GLU 104 1.337 7.907 8.324 1.00 0.00 ATOM 759 O GLU 104 3.687 9.116 3.981 1.00 0.00 ATOM 760 C GLU 104 2.764 8.394 3.607 1.00 0.00 ATOM 761 N VAL 105 1.797 8.819 2.815 1.00 0.00 ATOM 762 CA VAL 105 1.774 10.175 2.289 1.00 0.00 ATOM 763 CB VAL 105 1.362 10.183 0.797 1.00 0.00 ATOM 764 CG1 VAL 105 0.005 9.534 0.600 1.00 0.00 ATOM 765 CG2 VAL 105 1.376 11.594 0.229 1.00 0.00 ATOM 766 O VAL 105 -0.277 10.670 3.454 1.00 0.00 ATOM 767 C VAL 105 0.840 11.061 3.118 1.00 0.00 ATOM 768 N ARG 106 1.310 12.256 3.450 1.00 0.00 ATOM 769 CA ARG 106 0.576 13.151 4.338 1.00 0.00 ATOM 770 CB ARG 106 1.574 13.940 5.201 1.00 0.00 ATOM 771 CG ARG 106 1.116 14.203 6.632 1.00 0.00 ATOM 772 CD ARG 106 0.069 15.302 6.719 1.00 0.00 ATOM 773 NE ARG 106 -0.330 15.553 8.102 1.00 0.00 ATOM 774 CZ ARG 106 -0.944 16.662 8.524 1.00 0.00 ATOM 775 NH1 ARG 106 -1.256 17.628 7.669 1.00 0.00 ATOM 776 NH2 ARG 106 -1.244 16.799 9.807 1.00 0.00 ATOM 777 O ARG 106 -1.216 14.740 4.086 1.00 0.00 ATOM 778 C ARG 106 -0.312 14.108 3.538 1.00 0.00 ATOM 779 N ASP 107 -0.073 14.206 2.239 1.00 0.00 ATOM 780 CA ASP 107 -0.803 15.166 1.422 1.00 0.00 ATOM 781 CB ASP 107 0.159 16.030 0.617 1.00 0.00 ATOM 782 CG ASP 107 -0.480 17.340 0.219 1.00 0.00 ATOM 783 OD1 ASP 107 -1.258 17.364 -0.757 1.00 0.00 ATOM 784 OD2 ASP 107 -0.223 18.351 0.902 1.00 0.00 ATOM 785 O ASP 107 -1.457 13.445 -0.118 1.00 0.00 ATOM 786 C ASP 107 -1.780 14.467 0.490 1.00 0.00 ATOM 787 N GLU 108 -2.977 15.030 0.381 1.00 0.00 ATOM 788 CA GLU 108 -4.046 14.431 -0.410 1.00 0.00 ATOM 789 CB GLU 108 -5.389 15.078 -0.065 1.00 0.00 ATOM 790 CG GLU 108 -6.478 14.071 0.255 1.00 0.00 ATOM 791 CD GLU 108 -6.228 13.355 1.566 1.00 0.00 ATOM 792 OE1 GLU 108 -5.277 12.555 1.650 1.00 0.00 ATOM 793 OE2 GLU 108 -6.987 13.593 2.528 1.00 0.00 ATOM 794 O GLU 108 -4.367 13.833 -2.711 1.00 0.00 ATOM 795 C GLU 108 -3.787 14.565 -1.910 1.00 0.00 ATOM 796 N LYS 109 -2.913 15.500 -2.285 1.00 0.00 ATOM 797 CA LYS 109 -2.638 15.775 -3.690 1.00 0.00 ATOM 798 CB LYS 109 -1.627 16.909 -3.820 1.00 0.00 ATOM 799 CG LYS 109 -2.275 18.275 -3.931 1.00 0.00 ATOM 800 CD LYS 109 -3.128 18.367 -5.185 1.00 0.00 ATOM 801 CE LYS 109 -3.830 19.708 -5.302 1.00 0.00 ATOM 802 NZ LYS 109 -2.872 20.837 -5.424 1.00 0.00 ATOM 803 O LYS 109 -2.319 14.430 -5.645 1.00 0.00 ATOM 804 C LYS 109 -2.135 14.544 -4.433 1.00 0.00 ATOM 805 N PHE 110 -1.512 13.625 -3.712 1.00 0.00 ATOM 806 CA PHE 110 -1.029 12.397 -4.320 1.00 0.00 ATOM 807 CB PHE 110 -0.261 11.550 -3.301 1.00 0.00 ATOM 808 CG PHE 110 0.249 10.253 -3.866 1.00 0.00 ATOM 809 CD1 PHE 110 -0.316 9.045 -3.487 1.00 0.00 ATOM 810 CD2 PHE 110 1.286 10.243 -4.786 1.00 0.00 ATOM 811 CE1 PHE 110 0.145 7.856 -4.015 1.00 0.00 ATOM 812 CE2 PHE 110 1.751 9.055 -5.316 1.00 0.00 ATOM 813 CZ PHE 110 1.180 7.860 -4.929 1.00 0.00 ATOM 814 O PHE 110 -2.117 11.097 -6.014 1.00 0.00 ATOM 815 C PHE 110 -2.193 11.599 -4.897 1.00 0.00 ATOM 816 N PHE 111 -3.285 11.526 -4.144 1.00 0.00 ATOM 817 CA PHE 111 -4.443 10.724 -4.533 1.00 0.00 ATOM 818 CB PHE 111 -5.333 10.471 -3.317 1.00 0.00 ATOM 819 CG PHE 111 -4.606 9.781 -2.201 1.00 0.00 ATOM 820 CD1 PHE 111 -4.493 8.400 -2.177 1.00 0.00 ATOM 821 CD2 PHE 111 -4.023 10.515 -1.182 1.00 0.00 ATOM 822 CE1 PHE 111 -3.803 7.767 -1.161 1.00 0.00 ATOM 823 CE2 PHE 111 -3.339 9.889 -0.164 1.00 0.00 ATOM 824 CZ PHE 111 -3.227 8.513 -0.153 1.00 0.00 ATOM 825 O PHE 111 -5.944 10.744 -6.407 1.00 0.00 ATOM 826 C PHE 111 -5.235 11.401 -5.643 1.00 0.00 ATOM 827 N GLU 112 -5.116 12.716 -5.718 1.00 0.00 ATOM 828 CA GLU 112 -5.729 13.482 -6.788 1.00 0.00 ATOM 829 CB GLU 112 -5.759 14.959 -6.410 1.00 0.00 ATOM 830 CG GLU 112 -7.159 15.492 -6.171 1.00 0.00 ATOM 831 CD GLU 112 -8.004 15.480 -7.426 1.00 0.00 ATOM 832 OE1 GLU 112 -8.018 16.497 -8.149 1.00 0.00 ATOM 833 OE2 GLU 112 -8.666 14.458 -7.698 1.00 0.00 ATOM 834 O GLU 112 -5.536 13.275 -9.179 1.00 0.00 ATOM 835 C GLU 112 -4.957 13.292 -8.091 1.00 0.00 ATOM 836 N ALA 113 -3.647 13.128 -7.966 1.00 0.00 ATOM 837 CA ALA 113 -2.780 12.982 -9.126 1.00 0.00 ATOM 838 CB ALA 113 -1.377 13.470 -8.799 1.00 0.00 ATOM 839 O ALA 113 -2.756 11.291 -10.829 1.00 0.00 ATOM 840 C ALA 113 -2.737 11.539 -9.621 1.00 0.00 ATOM 841 N VAL 114 -2.679 10.590 -8.691 1.00 0.00 ATOM 842 CA VAL 114 -2.546 9.187 -9.055 1.00 0.00 ATOM 843 CB VAL 114 -1.945 8.333 -7.906 1.00 0.00 ATOM 844 CG1 VAL 114 -2.882 8.244 -6.710 1.00 0.00 ATOM 845 CG2 VAL 114 -1.588 6.943 -8.409 1.00 0.00 ATOM 846 O VAL 114 -4.896 8.676 -8.815 1.00 0.00 ATOM 847 C VAL 114 -3.881 8.601 -9.512 1.00 0.00 ATOM 848 N LYS 115 -3.872 8.048 -10.713 1.00 0.00 ATOM 849 CA LYS 115 -5.027 7.357 -11.259 1.00 0.00 ATOM 850 CB LYS 115 -5.703 8.201 -12.346 1.00 0.00 ATOM 851 CG LYS 115 -6.279 9.511 -11.827 1.00 0.00 ATOM 852 CD LYS 115 -7.401 9.266 -10.831 1.00 0.00 ATOM 853 CE LYS 115 -7.807 10.540 -10.105 1.00 0.00 ATOM 854 NZ LYS 115 -8.247 11.611 -11.039 1.00 0.00 ATOM 855 O LYS 115 -3.410 5.878 -12.203 1.00 0.00 ATOM 856 C LYS 115 -4.574 6.023 -11.824 1.00 0.00 ATOM 857 N THR 116 -5.475 5.052 -11.860 1.00 0.00 ATOM 858 CA THR 116 -5.136 3.726 -12.347 1.00 0.00 ATOM 859 CB THR 116 -6.325 2.754 -12.207 1.00 0.00 ATOM 860 CG2 THR 116 -5.938 1.352 -12.657 1.00 0.00 ATOM 861 OG1 THR 116 -6.762 2.713 -10.843 1.00 0.00 ATOM 862 O THR 116 -5.521 4.115 -14.685 1.00 0.00 ATOM 863 C THR 116 -4.713 3.775 -13.820 1.00 0.00 ATOM 864 N GLY 117 -3.454 3.454 -14.106 1.00 0.00 ATOM 865 CA GLY 117 -3.024 3.386 -15.490 1.00 0.00 ATOM 866 O GLY 117 -0.932 3.456 -16.631 1.00 0.00 ATOM 867 C GLY 117 -1.631 3.937 -15.742 1.00 0.00 ATOM 868 N ASP 118 -1.217 4.943 -14.980 1.00 0.00 ATOM 869 CA ASP 118 0.069 5.590 -15.240 1.00 0.00 ATOM 870 CB ASP 118 -0.018 7.093 -14.995 1.00 0.00 ATOM 871 CG ASP 118 0.713 7.863 -16.075 1.00 0.00 ATOM 872 OD1 ASP 118 0.042 8.365 -17.002 1.00 0.00 ATOM 873 OD2 ASP 118 1.957 7.943 -16.015 1.00 0.00 ATOM 874 O ASP 118 0.951 3.963 -13.720 1.00 0.00 ATOM 875 C ASP 118 1.175 4.970 -14.392 1.00 0.00 ATOM 876 N ARG 119 2.364 5.567 -14.408 1.00 0.00 ATOM 877 CA ARG 119 3.521 4.953 -13.771 1.00 0.00 ATOM 878 CB ARG 119 4.665 4.822 -14.777 1.00 0.00 ATOM 879 CG ARG 119 5.929 4.216 -14.189 1.00 0.00 ATOM 880 CD ARG 119 6.986 3.977 -15.255 1.00 0.00 ATOM 881 NE ARG 119 7.381 5.212 -15.933 1.00 0.00 ATOM 882 CZ ARG 119 8.149 5.245 -17.026 1.00 0.00 ATOM 883 NH1 ARG 119 8.553 4.112 -17.592 1.00 0.00 ATOM 884 NH2 ARG 119 8.500 6.410 -17.563 1.00 0.00 ATOM 885 O ARG 119 4.253 6.942 -12.628 1.00 0.00 ATOM 886 C ARG 119 3.984 5.742 -12.550 1.00 0.00 ATOM 887 N VAL 120 4.088 5.051 -11.424 1.00 0.00 ATOM 888 CA VAL 120 4.594 5.652 -10.200 1.00 0.00 ATOM 889 CB VAL 120 3.524 5.679 -9.082 1.00 0.00 ATOM 890 CG1 VAL 120 4.079 6.305 -7.811 1.00 0.00 ATOM 891 CG2 VAL 120 2.279 6.425 -9.541 1.00 0.00 ATOM 892 O VAL 120 5.746 3.683 -9.458 1.00 0.00 ATOM 893 C VAL 120 5.817 4.885 -9.713 1.00 0.00 ATOM 894 N VAL 121 6.941 5.578 -9.618 1.00 0.00 ATOM 895 CA VAL 121 8.164 4.983 -9.110 1.00 0.00 ATOM 896 CB VAL 121 9.419 5.607 -9.757 1.00 0.00 ATOM 897 CG1 VAL 121 10.684 4.938 -9.236 1.00 0.00 ATOM 898 CG2 VAL 121 9.346 5.506 -11.272 1.00 0.00 ATOM 899 O VAL 121 8.361 6.273 -7.095 1.00 0.00 ATOM 900 C VAL 121 8.231 5.155 -7.601 1.00 0.00 ATOM 901 N VAL 122 8.122 4.050 -6.886 1.00 0.00 ATOM 902 CA VAL 122 8.116 4.087 -5.437 1.00 0.00 ATOM 903 CB VAL 122 7.142 3.049 -4.849 1.00 0.00 ATOM 904 CG1 VAL 122 7.067 3.174 -3.333 1.00 0.00 ATOM 905 CG2 VAL 122 5.764 3.197 -5.474 1.00 0.00 ATOM 906 O VAL 122 10.022 2.715 -4.969 1.00 0.00 ATOM 907 C VAL 122 9.510 3.831 -4.891 1.00 0.00 ATOM 908 N ASN 123 10.123 4.865 -4.349 1.00 0.00 ATOM 909 CA ASN 123 11.447 4.745 -3.769 1.00 0.00 ATOM 910 CB ASN 123 12.385 5.805 -4.366 1.00 0.00 ATOM 911 CG ASN 123 13.832 5.646 -3.923 1.00 0.00 ATOM 912 ND2 ASN 123 14.762 5.917 -4.827 1.00 0.00 ATOM 913 OD1 ASN 123 14.114 5.278 -2.785 1.00 0.00 ATOM 914 O ASN 123 11.256 5.999 -1.734 1.00 0.00 ATOM 915 C ASN 123 11.350 4.889 -2.257 1.00 0.00 ATOM 916 N ALA 124 11.349 3.762 -1.560 1.00 0.00 ATOM 917 CA ALA 124 11.200 3.756 -0.111 1.00 0.00 ATOM 918 CB ALA 124 10.495 2.492 0.344 1.00 0.00 ATOM 919 O ALA 124 12.625 4.071 1.793 1.00 0.00 ATOM 920 C ALA 124 12.550 3.892 0.577 1.00 0.00 ATOM 921 N ASP 125 13.618 3.797 -0.208 1.00 0.00 ATOM 922 CA ASP 125 14.963 4.033 0.303 1.00 0.00 ATOM 923 CB ASP 125 16.021 3.768 -0.774 1.00 0.00 ATOM 924 CG ASP 125 15.937 2.380 -1.378 1.00 0.00 ATOM 925 OD1 ASP 125 16.413 1.418 -0.743 1.00 0.00 ATOM 926 OD2 ASP 125 15.428 2.250 -2.513 1.00 0.00 ATOM 927 O ASP 125 15.552 5.776 1.850 1.00 0.00 ATOM 928 C ASP 125 15.071 5.480 0.755 1.00 0.00 ATOM 929 N GLU 126 14.597 6.371 -0.104 1.00 0.00 ATOM 930 CA GLU 126 14.614 7.797 0.165 1.00 0.00 ATOM 931 CB GLU 126 14.835 8.563 -1.141 1.00 0.00 ATOM 932 CG GLU 126 16.091 8.146 -1.892 1.00 0.00 ATOM 933 CD GLU 126 17.366 8.571 -1.196 1.00 0.00 ATOM 934 OE1 GLU 126 17.888 7.801 -0.364 1.00 0.00 ATOM 935 OE2 GLU 126 17.864 9.675 -1.496 1.00 0.00 ATOM 936 O GLU 126 13.270 9.177 1.602 1.00 0.00 ATOM 937 C GLU 126 13.299 8.243 0.802 1.00 0.00 ATOM 938 N GLY 127 12.214 7.565 0.446 1.00 0.00 ATOM 939 CA GLY 127 10.899 7.967 0.911 1.00 0.00 ATOM 940 O GLY 127 9.888 10.039 0.267 1.00 0.00 ATOM 941 C GLY 127 10.243 8.911 -0.073 1.00 0.00 ATOM 942 N TYR 128 10.069 8.440 -1.297 1.00 0.00 ATOM 943 CA TYR 128 9.658 9.294 -2.395 1.00 0.00 ATOM 944 CB TYR 128 10.896 9.802 -3.140 1.00 0.00 ATOM 945 CG TYR 128 11.026 11.308 -3.178 1.00 0.00 ATOM 946 CD1 TYR 128 10.519 12.037 -4.244 1.00 0.00 ATOM 947 CD2 TYR 128 11.666 11.997 -2.155 1.00 0.00 ATOM 948 CE1 TYR 128 10.642 13.413 -4.289 1.00 0.00 ATOM 949 CE2 TYR 128 11.792 13.374 -2.191 1.00 0.00 ATOM 950 CZ TYR 128 11.280 14.075 -3.262 1.00 0.00 ATOM 951 OH TYR 128 11.398 15.447 -3.307 1.00 0.00 ATOM 952 O TYR 128 8.962 7.340 -3.596 1.00 0.00 ATOM 953 C TYR 128 8.764 8.533 -3.360 1.00 0.00 ATOM 954 N VAL 129 7.777 9.219 -3.905 1.00 0.00 ATOM 955 CA VAL 129 6.918 8.644 -4.926 1.00 0.00 ATOM 956 CB VAL 129 5.459 8.477 -4.438 1.00 0.00 ATOM 957 CG1 VAL 129 5.356 7.311 -3.466 1.00 0.00 ATOM 958 CG2 VAL 129 4.949 9.754 -3.782 1.00 0.00 ATOM 959 O VAL 129 6.421 10.605 -6.235 1.00 0.00 ATOM 960 C VAL 129 6.966 9.498 -6.188 1.00 0.00 ATOM 961 N GLU 130 7.646 8.991 -7.201 1.00 0.00 ATOM 962 CA GLU 130 7.865 9.741 -8.423 1.00 0.00 ATOM 963 CB GLU 130 9.275 9.474 -8.958 1.00 0.00 ATOM 964 CG GLU 130 10.374 9.712 -7.931 1.00 0.00 ATOM 965 CD GLU 130 11.759 9.433 -8.477 1.00 0.00 ATOM 966 OE1 GLU 130 12.538 10.393 -8.657 1.00 0.00 ATOM 967 OE2 GLU 130 12.084 8.255 -8.727 1.00 0.00 ATOM 968 O GLU 130 6.855 8.267 -10.020 1.00 0.00 ATOM 969 C GLU 130 6.830 9.370 -9.473 1.00 0.00 ATOM 970 N LEU 131 5.910 10.285 -9.740 1.00 0.00 ATOM 971 CA LEU 131 4.915 10.077 -10.778 1.00 0.00 ATOM 972 CB LEU 131 3.679 10.945 -10.530 1.00 0.00 ATOM 973 CG LEU 131 2.587 10.839 -11.599 1.00 0.00 ATOM 974 CD1 LEU 131 1.961 9.455 -11.595 1.00 0.00 ATOM 975 CD2 LEU 131 1.523 11.905 -11.385 1.00 0.00 ATOM 976 O LEU 131 5.793 11.573 -12.439 1.00 0.00 ATOM 977 C LEU 131 5.519 10.404 -12.133 1.00 0.00 ATOM 978 N ILE 132 5.732 9.380 -12.942 1.00 0.00 ATOM 979 CA ILE 132 6.366 9.560 -14.232 1.00 0.00 ATOM 980 CB ILE 132 7.592 8.653 -14.424 1.00 0.00 ATOM 981 CG1 ILE 132 8.510 8.696 -13.195 1.00 0.00 ATOM 982 CG2 ILE 132 8.362 9.065 -15.672 1.00 0.00 ATOM 983 CD1 ILE 132 9.112 10.060 -12.925 1.00 0.00 ATOM 984 O ILE 132 4.924 8.138 -15.495 1.00 0.00 ATOM 985 C ILE 132 5.366 9.273 -15.324 1.00 0.00 ATOM 986 N GLU 133 5.055 10.308 -16.068 1.00 0.00 ATOM 987 CA GLU 133 3.972 10.275 -17.031 1.00 0.00 ATOM 988 CB GLU 133 3.647 11.696 -17.475 1.00 0.00 ATOM 989 CG GLU 133 3.136 12.562 -16.335 1.00 0.00 ATOM 990 CD GLU 133 3.378 14.039 -16.555 1.00 0.00 ATOM 991 OE1 GLU 133 2.504 14.717 -17.131 1.00 0.00 ATOM 992 OE2 GLU 133 4.439 14.532 -16.124 1.00 0.00 ATOM 993 O GLU 133 5.109 9.762 -19.090 1.00 0.00 ATOM 994 C GLU 133 4.319 9.391 -18.216 1.00 0.00 ENDMDL # command:# Prefix for output files set to decoys/ # command:# request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_204118886.pdb -s /var/tmp/to_scwrl_204118886.seq -o /var/tmp/from_scwrl_204118886.pdb > /var/tmp/scwrl_204118886.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_204118886.pdb # conformation set from SCWRL output # command:# naming current conformation model1-scwrl # command:# ReadConformPDB reading from PDB file model2.ts-submitted looking for model 1 # Found a chain break before 42 # copying to AlignedFragments data structure # command:Warning: Couldn't open file decoys/model2.gdt for output # fraction of real conformation used = 1.000 # GDT_score = -33.333 # GDT_score(maxd=8.000,maxw=2.900)= -32.100 # GDT_score(maxd=8.000,maxw=3.200)= -30.477 # GDT_score(maxd=8.000,maxw=3.500)= -28.959 # GDT_score(maxd=10.000,maxw=3.800)= -31.928 # GDT_score(maxd=10.000,maxw=4.000)= -30.863 # GDT_score(maxd=10.000,maxw=4.200)= -29.863 # GDT_score(maxd=12.000,maxw=4.300)= -33.022 # GDT_score(maxd=12.000,maxw=4.500)= -31.980 # GDT_score(maxd=12.000,maxw=4.700)= -31.002 # GDT_score(maxd=14.000,maxw=5.200)= -31.695 # GDT_score(maxd=14.000,maxw=5.500)= -30.328 # command:# request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_2106145990.pdb -s /var/tmp/to_scwrl_2106145990.seq -o /var/tmp/from_scwrl_2106145990.pdb > /var/tmp/scwrl_2106145990.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2106145990.pdb # conformation set from SCWRL output # command:# naming current conformation model2-scwrl # command:# ReadConformPDB reading from PDB file model3.ts-submitted looking for model 1 # Found a chain break before 138 # copying to AlignedFragments data structure # command:Warning: Couldn't open file decoys/model3.gdt for output # fraction of real conformation used = 1.000 # GDT_score = -36.742 # GDT_score(maxd=8.000,maxw=2.900)= -35.905 # GDT_score(maxd=8.000,maxw=3.200)= -33.835 # GDT_score(maxd=8.000,maxw=3.500)= -31.889 # GDT_score(maxd=10.000,maxw=3.800)= -35.335 # GDT_score(maxd=10.000,maxw=4.000)= -34.022 # GDT_score(maxd=10.000,maxw=4.200)= -32.789 # GDT_score(maxd=12.000,maxw=4.300)= -36.252 # GDT_score(maxd=12.000,maxw=4.500)= -34.997 # GDT_score(maxd=12.000,maxw=4.700)= -33.830 # GDT_score(maxd=14.000,maxw=5.200)= -34.314 # GDT_score(maxd=14.000,maxw=5.500)= -32.826 # command:# request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_709248065.pdb -s /var/tmp/to_scwrl_709248065.seq -o /var/tmp/from_scwrl_709248065.pdb > /var/tmp/scwrl_709248065.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_709248065.pdb # conformation set from SCWRL output # command:# naming current conformation model3-scwrl # command:# ReadConformPDB reading from PDB file model4.ts-submitted looking for model 1 # Found a chain break before 109 # copying to AlignedFragments data structure # command:Warning: Couldn't open file decoys/model4.gdt for output # fraction of real conformation used = 1.000 # GDT_score = -31.250 # GDT_score(maxd=8.000,maxw=2.900)= -30.325 # GDT_score(maxd=8.000,maxw=3.200)= -28.872 # GDT_score(maxd=8.000,maxw=3.500)= -27.470 # GDT_score(maxd=10.000,maxw=3.800)= -29.958 # GDT_score(maxd=10.000,maxw=4.000)= -28.996 # GDT_score(maxd=10.000,maxw=4.200)= -28.071 # GDT_score(maxd=12.000,maxw=4.300)= -30.792 # GDT_score(maxd=12.000,maxw=4.500)= -29.843 # GDT_score(maxd=12.000,maxw=4.700)= -28.960 # GDT_score(maxd=14.000,maxw=5.200)= -29.491 # GDT_score(maxd=14.000,maxw=5.500)= -28.205 # command:# request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_1820001641.pdb -s /var/tmp/to_scwrl_1820001641.seq -o /var/tmp/from_scwrl_1820001641.pdb > /var/tmp/scwrl_1820001641.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1820001641.pdb # conformation set from SCWRL output # command:# naming current conformation model4-scwrl # command:# ReadConformPDB reading from PDB file model5.ts-submitted looking for model 1 # Found a chain break before 133 # copying to AlignedFragments data structure # command:Warning: Couldn't open file decoys/model5.gdt for output # fraction of real conformation used = 1.000 # GDT_score = -42.424 # GDT_score(maxd=8.000,maxw=2.900)= -42.970 # GDT_score(maxd=8.000,maxw=3.200)= -40.403 # GDT_score(maxd=8.000,maxw=3.500)= -37.965 # GDT_score(maxd=10.000,maxw=3.800)= -41.418 # GDT_score(maxd=10.000,maxw=4.000)= -39.848 # GDT_score(maxd=10.000,maxw=4.200)= -38.352 # GDT_score(maxd=12.000,maxw=4.300)= -42.132 # GDT_score(maxd=12.000,maxw=4.500)= -40.616 # GDT_score(maxd=12.000,maxw=4.700)= -39.197 # GDT_score(maxd=14.000,maxw=5.200)= -39.491 # GDT_score(maxd=14.000,maxw=5.500)= -37.667 # command:# request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_926253396.pdb -s /var/tmp/to_scwrl_926253396.seq -o /var/tmp/from_scwrl_926253396.pdb > /var/tmp/scwrl_926253396.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_926253396.pdb # conformation set from SCWRL output # command:# naming current conformation model5-scwrl # command:# Prefix for input files set to decoys/ # command:# ReadConformPDB reading from PDB file T0357.try1-opt2.pdb looking for model 1 # Found a chain break before 133 # 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 = -42.424 # GDT_score(maxd=8.000,maxw=2.900)= -42.982 # GDT_score(maxd=8.000,maxw=3.200)= -40.413 # GDT_score(maxd=8.000,maxw=3.500)= -37.974 # GDT_score(maxd=10.000,maxw=3.800)= -41.434 # GDT_score(maxd=10.000,maxw=4.000)= -39.859 # GDT_score(maxd=10.000,maxw=4.200)= -38.362 # GDT_score(maxd=12.000,maxw=4.300)= -42.143 # GDT_score(maxd=12.000,maxw=4.500)= -40.625 # GDT_score(maxd=12.000,maxw=4.700)= -39.206 # GDT_score(maxd=14.000,maxw=5.200)= -39.504 # GDT_score(maxd=14.000,maxw=5.500)= -37.680 # command:# Prefix for output files set to # command:Warning: Couldn't open file T0357.try1-real.pdb for output Error: Couldn't open file T0357.try1-real.pdb for output superimposing iter= 0 total_weight= 1522 rmsd (weighted)= 9.83395 (unweighted)= 14.3649 superimposing iter= 1 total_weight= 3929.8 rmsd (weighted)= 4.36708 (unweighted)= 14.803 superimposing iter= 2 total_weight= 2147.95 rmsd (weighted)= 2.84871 (unweighted)= 15.0418 superimposing iter= 3 total_weight= 1516.64 rmsd (weighted)= 2.2682 (unweighted)= 15.1459 superimposing iter= 4 total_weight= 1209.45 rmsd (weighted)= 2.03597 (unweighted)= 15.1995 superimposing iter= 5 total_weight= 1091.84 rmsd (weighted)= 1.92838 (unweighted)= 15.2311 EXPDTA T0357.try1-opt2.pdb MODEL 1 REMARK 44 REMARK 44 model 1 is called T0357.try1-opt2.pdb ATOM 1 N MET A 1 7.326 9.072 -11.997 1.00 0.00 ATOM 2 CA MET A 1 7.776 7.729 -11.539 1.00 0.00 ATOM 3 CB MET A 1 8.455 7.808 -10.163 1.00 0.00 ATOM 4 CG MET A 1 8.695 6.441 -9.532 1.00 0.00 ATOM 5 SD MET A 1 8.245 6.353 -7.791 1.00 0.00 ATOM 6 CE MET A 1 8.714 4.669 -7.395 1.00 0.00 ATOM 7 O MET A 1 6.780 5.566 -11.815 1.00 0.00 ATOM 8 C MET A 1 6.627 6.729 -11.448 1.00 0.00 ATOM 9 N VAL A 2 5.573 7.106 -10.736 1.00 0.00 ATOM 10 CA VAL A 2 4.430 6.219 -10.504 1.00 0.00 ATOM 11 CB VAL A 2 3.379 6.883 -9.609 1.00 0.00 ATOM 12 CG1 VAL A 2 2.099 6.065 -9.499 1.00 0.00 ATOM 13 CG2 VAL A 2 4.016 7.123 -8.238 1.00 0.00 ATOM 14 O VAL A 2 3.519 4.635 -12.037 1.00 0.00 ATOM 15 C VAL A 2 3.801 5.831 -11.829 1.00 0.00 ATOM 16 N LYS A 3 3.612 6.791 -12.729 1.00 0.00 ATOM 17 CA LYS A 3 3.017 6.506 -14.036 1.00 0.00 ATOM 18 CB LYS A 3 2.784 7.783 -14.831 1.00 0.00 ATOM 19 CG LYS A 3 2.285 7.531 -16.251 1.00 0.00 ATOM 20 CD LYS A 3 2.218 8.802 -17.098 1.00 0.00 ATOM 21 CE LYS A 3 1.790 8.458 -18.511 1.00 0.00 ATOM 22 NZ LYS A 3 0.371 7.929 -18.553 1.00 0.00 ATOM 23 O LYS A 3 3.402 4.670 -15.538 1.00 0.00 ATOM 24 C LYS A 3 3.899 5.578 -14.872 1.00 0.00 ATOM 25 N PHE A 4 5.246 5.993 -14.744 1.00 0.00 ATOM 26 CA PHE A 4 6.241 5.207 -15.469 1.00 0.00 ATOM 27 CB PHE A 4 7.634 5.802 -15.182 1.00 0.00 ATOM 28 CG PHE A 4 8.799 5.024 -15.760 1.00 0.00 ATOM 29 CD1 PHE A 4 9.375 3.972 -15.051 1.00 0.00 ATOM 30 CD2 PHE A 4 9.370 5.396 -16.981 1.00 0.00 ATOM 31 CE1 PHE A 4 10.508 3.310 -15.540 1.00 0.00 ATOM 32 CE2 PHE A 4 10.502 4.739 -17.477 1.00 0.00 ATOM 33 CZ PHE A 4 11.074 3.695 -16.754 1.00 0.00 ATOM 34 O PHE A 4 5.928 2.849 -15.835 1.00 0.00 ATOM 35 C PHE A 4 6.157 3.748 -15.024 1.00 0.00 ATOM 36 N ALA A 5 6.302 3.526 -13.722 1.00 0.00 ATOM 37 CA ALA A 5 6.269 2.181 -13.149 1.00 0.00 ATOM 38 CB ALA A 5 6.595 2.254 -11.655 1.00 0.00 ATOM 39 O ALA A 5 4.966 0.395 -14.084 1.00 0.00 ATOM 40 C ALA A 5 4.959 1.440 -13.435 1.00 0.00 ATOM 41 N CYS A 6 3.831 1.964 -12.953 1.00 0.00 ATOM 42 CA CYS A 6 2.579 1.280 -13.166 1.00 0.00 ATOM 43 CB CYS A 6 2.591 -0.093 -12.572 1.00 0.00 ATOM 44 SG CYS A 6 1.197 -1.174 -13.102 1.00 0.00 ATOM 45 O CYS A 6 1.568 3.415 -12.703 1.00 0.00 ATOM 46 C CYS A 6 1.414 2.204 -12.873 1.00 0.00 ATOM 47 N ARG A 7 0.245 1.599 -12.785 1.00 0.00 ATOM 48 CA ARG A 7 -0.980 2.327 -12.551 1.00 0.00 ATOM 49 CB ARG A 7 -2.121 1.596 -13.231 1.00 0.00 ATOM 50 CG ARG A 7 -3.510 2.136 -12.898 1.00 0.00 ATOM 51 CD ARG A 7 -4.540 1.437 -13.760 1.00 0.00 ATOM 52 NE ARG A 7 -4.570 -0.056 -13.617 1.00 0.00 ATOM 53 CZ ARG A 7 -5.307 -0.775 -12.813 1.00 0.00 ATOM 54 NH1 ARG A 7 -6.182 -0.263 -11.892 1.00 0.00 ATOM 55 NH2 ARG A 7 -5.218 -2.109 -12.858 1.00 0.00 ATOM 56 O ARG A 7 -1.113 1.347 -10.376 1.00 0.00 ATOM 57 C ARG A 7 -1.383 2.308 -11.096 1.00 0.00 ATOM 58 N ALA A 8 -1.962 3.495 -10.646 1.00 0.00 ATOM 59 CA ALA A 8 -2.466 3.625 -9.295 1.00 0.00 ATOM 60 CB ALA A 8 -2.568 5.093 -8.907 1.00 0.00 ATOM 61 O ALA A 8 -4.734 3.211 -9.999 1.00 0.00 ATOM 62 C ALA A 8 -3.853 3.002 -9.154 1.00 0.00 ATOM 63 N ILE A 9 -4.026 2.203 -8.107 1.00 0.00 ATOM 64 CA ILE A 9 -5.321 1.628 -7.773 1.00 0.00 ATOM 65 CB ILE A 9 -5.252 0.092 -7.690 1.00 0.00 ATOM 66 CG1 ILE A 9 -4.797 -0.495 -9.027 1.00 0.00 ATOM 67 CG2 ILE A 9 -6.618 -0.484 -7.350 1.00 0.00 ATOM 68 CD1 ILE A 9 -4.534 -1.984 -8.982 1.00 0.00 ATOM 69 O ILE A 9 -4.769 2.076 -5.483 1.00 0.00 ATOM 70 C ILE A 9 -5.499 2.335 -6.438 1.00 0.00 ATOM 71 N THR A 10 -6.447 3.253 -6.385 1.00 0.00 ATOM 72 CA THR A 10 -6.650 4.058 -5.185 1.00 0.00 ATOM 73 CB THR A 10 -7.048 5.507 -5.520 1.00 0.00 ATOM 74 CG2 THR A 10 -7.302 6.298 -4.246 1.00 0.00 ATOM 75 OG1 THR A 10 -5.991 6.137 -6.255 1.00 0.00 ATOM 76 O THR A 10 -8.794 3.050 -4.840 1.00 0.00 ATOM 77 C THR A 10 -7.746 3.475 -4.316 1.00 0.00 ATOM 78 N ARG A 11 -7.475 3.432 -2.986 1.00 0.00 ATOM 79 CA ARG A 11 -8.466 3.021 -2.004 1.00 0.00 ATOM 80 CB ARG A 11 -7.889 1.932 -1.110 1.00 0.00 ATOM 81 CG ARG A 11 -7.583 0.651 -1.872 1.00 0.00 ATOM 82 CD ARG A 11 -8.822 0.114 -2.537 1.00 0.00 ATOM 83 NE ARG A 11 -8.483 -0.742 -3.662 1.00 0.00 ATOM 84 CZ ARG A 11 -9.366 -1.185 -4.543 1.00 0.00 ATOM 85 NH1 ARG A 11 -10.649 -0.851 -4.422 1.00 0.00 ATOM 86 NH2 ARG A 11 -8.961 -1.933 -5.562 1.00 0.00 ATOM 87 O ARG A 11 -7.496 4.689 -0.566 1.00 0.00 ATOM 88 C ARG A 11 -8.507 4.051 -0.874 1.00 0.00 ATOM 89 N GLY A 12 -9.729 4.075 -0.105 1.00 0.00 ATOM 90 CA GLY A 12 -9.900 4.977 1.021 1.00 0.00 ATOM 91 O GLY A 12 -8.424 3.742 2.487 1.00 0.00 ATOM 92 C GLY A 12 -9.322 4.585 2.373 1.00 0.00 ATOM 93 N ARG A 13 -9.884 5.093 3.425 1.00 0.00 ATOM 94 CA ARG A 13 -9.366 4.873 4.796 1.00 0.00 ATOM 95 CB ARG A 13 -9.887 5.956 5.743 1.00 0.00 ATOM 96 CG ARG A 13 -9.413 7.360 5.402 1.00 0.00 ATOM 97 CD ARG A 13 -9.872 8.367 6.443 1.00 0.00 ATOM 98 NE ARG A 13 -9.509 9.734 6.080 1.00 0.00 ATOM 99 CZ ARG A 13 -9.839 10.810 6.789 1.00 0.00 ATOM 100 NH1 ARG A 13 -9.465 12.014 6.381 1.00 0.00 ATOM 101 NH2 ARG A 13 -10.542 10.676 7.905 1.00 0.00 ATOM 102 O ARG A 13 -10.772 2.941 4.980 1.00 0.00 ATOM 103 C ARG A 13 -9.775 3.543 5.382 1.00 0.00 ATOM 104 N ALA A 14 -9.009 3.121 6.374 1.00 0.00 ATOM 105 CA ALA A 14 -9.271 1.892 7.103 1.00 0.00 ATOM 106 CB ALA A 14 -10.541 2.028 7.931 1.00 0.00 ATOM 107 O ALA A 14 -10.324 -0.191 6.589 1.00 0.00 ATOM 108 C ALA A 14 -9.470 0.635 6.274 1.00 0.00 ATOM 109 N GLU A 15 -8.692 0.467 5.213 1.00 0.00 ATOM 110 CA GLU A 15 -8.827 -0.749 4.425 1.00 0.00 ATOM 111 CB GLU A 15 -8.286 -0.512 2.994 1.00 0.00 ATOM 112 CG GLU A 15 -9.051 0.490 2.149 1.00 0.00 ATOM 113 CD GLU A 15 -10.243 -0.096 1.424 1.00 0.00 ATOM 114 OE1 GLU A 15 -10.249 -1.292 1.070 1.00 0.00 ATOM 115 OE2 GLU A 15 -11.223 0.639 1.190 1.00 0.00 ATOM 116 O GLU A 15 -7.230 -1.821 5.872 1.00 0.00 ATOM 117 C GLU A 15 -8.343 -1.876 5.329 1.00 0.00 ATOM 118 N GLY A 16 -9.165 -2.893 5.521 1.00 0.00 ATOM 119 CA GLY A 16 -8.744 -3.994 6.377 1.00 0.00 ATOM 120 O GLY A 16 -8.306 -5.282 4.378 1.00 0.00 ATOM 121 C GLY A 16 -8.071 -5.110 5.575 1.00 0.00 ATOM 122 N GLU A 17 -7.232 -5.892 6.237 1.00 0.00 ATOM 123 CA GLU A 17 -6.575 -6.986 5.527 1.00 0.00 ATOM 124 CB GLU A 17 -5.466 -7.675 6.325 1.00 0.00 ATOM 125 CG GLU A 17 -4.587 -8.608 5.476 1.00 0.00 ATOM 126 CD GLU A 17 -5.032 -10.057 5.450 1.00 0.00 ATOM 127 OE1 GLU A 17 -5.863 -10.430 6.316 1.00 0.00 ATOM 128 OE2 GLU A 17 -4.628 -10.821 4.552 1.00 0.00 ATOM 129 O GLU A 17 -7.511 -8.601 4.013 1.00 0.00 ATOM 130 C GLU A 17 -7.651 -7.944 5.041 1.00 0.00 ATOM 131 N ALA A 18 -8.750 -8.002 5.783 1.00 0.00 ATOM 132 CA ALA A 18 -9.855 -8.878 5.428 1.00 0.00 ATOM 133 CB ALA A 18 -10.937 -8.824 6.494 1.00 0.00 ATOM 134 O ALA A 18 -10.883 -9.317 3.300 1.00 0.00 ATOM 135 C ALA A 18 -10.432 -8.467 4.074 1.00 0.00 ATOM 136 N LEU A 19 -10.447 -7.152 3.766 1.00 0.00 ATOM 137 CA LEU A 19 -10.964 -6.679 2.487 1.00 0.00 ATOM 138 CB LEU A 19 -11.168 -5.163 2.539 1.00 0.00 ATOM 139 CG LEU A 19 -12.241 -4.657 3.505 1.00 0.00 ATOM 140 CD1 LEU A 19 -12.249 -3.137 3.551 1.00 0.00 ATOM 141 CD2 LEU A 19 -13.621 -5.126 3.070 1.00 0.00 ATOM 142 O LEU A 19 -10.363 -7.308 0.272 1.00 0.00 ATOM 143 C LEU A 19 -9.959 -6.980 1.395 1.00 0.00 ATOM 144 N VAL A 20 -8.616 -6.830 1.721 1.00 0.00 ATOM 145 CA VAL A 20 -7.576 -7.181 0.741 1.00 0.00 ATOM 146 CB VAL A 20 -6.199 -6.822 1.262 1.00 0.00 ATOM 147 CG1 VAL A 20 -5.159 -7.349 0.305 1.00 0.00 ATOM 148 CG2 VAL A 20 -6.089 -5.297 1.394 1.00 0.00 ATOM 149 O VAL A 20 -7.810 -9.045 -0.741 1.00 0.00 ATOM 150 C VAL A 20 -7.715 -8.672 0.412 1.00 0.00 ATOM 151 N THR A 21 -7.727 -9.524 1.426 1.00 0.00 ATOM 152 CA THR A 21 -7.913 -10.954 1.199 1.00 0.00 ATOM 153 CB THR A 21 -6.587 -11.714 1.376 1.00 0.00 ATOM 154 CG2 THR A 21 -5.597 -11.319 0.289 1.00 0.00 ATOM 155 OG1 THR A 21 -6.021 -11.404 2.655 1.00 0.00 ATOM 156 O THR A 21 -8.628 -11.551 3.401 1.00 0.00 ATOM 157 C THR A 21 -8.929 -11.446 2.210 1.00 0.00 ATOM 158 N LYS A 22 -10.163 -11.727 1.750 1.00 0.00 ATOM 159 CA LYS A 22 -11.184 -12.213 2.679 1.00 0.00 ATOM 160 CB LYS A 22 -12.440 -12.636 1.916 1.00 0.00 ATOM 161 CG LYS A 22 -12.256 -13.878 1.058 1.00 0.00 ATOM 162 CD LYS A 22 -13.538 -14.237 0.323 1.00 0.00 ATOM 163 CE LYS A 22 -13.367 -15.501 -0.501 1.00 0.00 ATOM 164 NZ LYS A 22 -14.624 -15.880 -1.205 1.00 0.00 ATOM 165 O LYS A 22 -9.702 -14.035 3.137 1.00 0.00 ATOM 166 C LYS A 22 -10.598 -13.312 3.571 1.00 0.00 ATOM 167 N GLU A 23 -11.082 -13.547 4.897 1.00 0.00 ATOM 168 CA GLU A 23 -10.596 -14.601 5.796 1.00 0.00 ATOM 169 CB GLU A 23 -11.259 -14.482 7.170 1.00 0.00 ATOM 170 CG GLU A 23 -12.748 -14.786 7.168 1.00 0.00 ATOM 171 CD GLU A 23 -13.587 -13.588 6.768 1.00 0.00 ATOM 172 OE1 GLU A 23 -13.002 -12.570 6.338 1.00 0.00 ATOM 173 OE2 GLU A 23 -14.827 -13.666 6.883 1.00 0.00 ATOM 174 O GLU A 23 -10.329 -16.971 5.886 1.00 0.00 ATOM 175 C GLU A 23 -10.864 -16.018 5.328 1.00 0.00 ATOM 176 N TYR A 24 -11.719 -16.176 4.328 1.00 0.00 ATOM 177 CA TYR A 24 -12.005 -17.508 3.828 1.00 0.00 ATOM 178 CB TYR A 24 -13.408 -17.558 3.220 1.00 0.00 ATOM 179 CG TYR A 24 -14.519 -17.351 4.225 1.00 0.00 ATOM 180 CD1 TYR A 24 -15.149 -16.120 4.345 1.00 0.00 ATOM 181 CD2 TYR A 24 -14.933 -18.388 5.051 1.00 0.00 ATOM 182 CE1 TYR A 24 -16.166 -15.921 5.260 1.00 0.00 ATOM 183 CE2 TYR A 24 -15.947 -18.210 5.973 1.00 0.00 ATOM 184 CZ TYR A 24 -16.563 -16.962 6.071 1.00 0.00 ATOM 185 OH TYR A 24 -17.575 -16.768 6.984 1.00 0.00 ATOM 186 O TYR A 24 -11.259 -18.879 2.012 1.00 0.00 ATOM 187 C TYR A 24 -10.998 -17.923 2.745 1.00 0.00 ATOM 188 N ILE A 25 -9.850 -17.240 2.655 1.00 0.00 ATOM 189 CA ILE A 25 -8.871 -17.555 1.604 1.00 0.00 ATOM 190 CB ILE A 25 -8.742 -16.403 0.589 1.00 0.00 ATOM 191 CG1 ILE A 25 -8.264 -15.129 1.289 1.00 0.00 ATOM 192 CG2 ILE A 25 -10.086 -16.117 -0.066 1.00 0.00 ATOM 193 CD1 ILE A 25 -7.852 -14.028 0.336 1.00 0.00 ATOM 194 O ILE A 25 -6.751 -18.617 1.226 1.00 0.00 ATOM 195 C ILE A 25 -7.446 -17.945 2.001 1.00 0.00 ATOM 196 N SER A 26 -7.009 -17.570 3.196 1.00 0.00 ATOM 197 CA SER A 26 -5.645 -17.872 3.613 1.00 0.00 ATOM 198 CB SER A 26 -5.418 -17.408 5.053 1.00 0.00 ATOM 199 OG SER A 26 -6.144 -18.210 5.968 1.00 0.00 ATOM 200 O SER A 26 -3.958 -19.565 3.361 1.00 0.00 ATOM 201 C SER A 26 -5.150 -19.324 3.570 1.00 0.00 ATOM 202 N PHE A 27 -6.052 -20.285 3.752 1.00 0.00 ATOM 203 CA PHE A 27 -5.658 -21.685 3.729 1.00 0.00 ATOM 204 CB PHE A 27 -6.852 -22.584 4.055 1.00 0.00 ATOM 205 CG PHE A 27 -6.507 -24.044 4.133 1.00 0.00 ATOM 206 CD1 PHE A 27 -5.888 -24.565 5.254 1.00 0.00 ATOM 207 CD2 PHE A 27 -6.806 -24.896 3.082 1.00 0.00 ATOM 208 CE1 PHE A 27 -5.571 -25.909 5.325 1.00 0.00 ATOM 209 CE2 PHE A 27 -6.490 -26.240 3.154 1.00 0.00 ATOM 210 CZ PHE A 27 -5.875 -26.746 4.269 1.00 0.00 ATOM 211 O PHE A 27 -5.847 -22.679 1.547 1.00 0.00 ATOM 212 C PHE A 27 -5.128 -22.093 2.363 1.00 0.00 ATOM 213 N LEU A 28 -3.857 -21.774 2.127 1.00 0.00 ATOM 214 CA LEU A 28 -3.181 -22.083 0.868 1.00 0.00 ATOM 215 CB LEU A 28 -4.194 -21.791 -0.315 1.00 0.00 ATOM 216 CG LEU A 28 -4.428 -20.309 -0.635 1.00 0.00 ATOM 217 CD1 LEU A 28 -3.264 -19.759 -1.453 1.00 0.00 ATOM 218 CD2 LEU A 28 -5.728 -20.163 -1.424 1.00 0.00 ATOM 219 O LEU A 28 -1.685 -23.855 0.193 1.00 0.00 ATOM 220 C LEU A 28 -1.827 -22.665 0.586 1.00 0.00 ATOM 221 N GLY A 29 -0.745 -21.793 0.684 1.00 0.00 ATOM 222 CA GLY A 29 0.583 -22.263 0.381 1.00 0.00 ATOM 223 O GLY A 29 2.053 -21.316 -1.250 1.00 0.00 ATOM 224 C GLY A 29 0.890 -21.592 -0.948 1.00 0.00 ATOM 225 N GLY A 30 -0.153 -21.412 -1.780 1.00 0.00 ATOM 226 CA GLY A 30 0.087 -20.774 -3.068 1.00 0.00 ATOM 227 O GLY A 30 -1.530 -18.974 -3.238 1.00 0.00 ATOM 228 C GLY A 30 -0.340 -19.303 -3.140 1.00 0.00 ATOM 229 N ILE A 31 0.709 -18.390 -3.183 1.00 0.00 ATOM 230 CA ILE A 31 0.447 -16.950 -3.232 1.00 0.00 ATOM 231 CB ILE A 31 1.755 -16.138 -3.248 1.00 0.00 ATOM 232 CG1 ILE A 31 2.482 -16.272 -1.909 1.00 0.00 ATOM 233 CG2 ILE A 31 1.466 -14.665 -3.495 1.00 0.00 ATOM 234 CD1 ILE A 31 3.890 -15.721 -1.920 1.00 0.00 ATOM 235 O ILE A 31 -1.113 -15.626 -4.483 1.00 0.00 ATOM 236 C ILE A 31 -0.345 -16.578 -4.493 1.00 0.00 ATOM 237 N ASP A 32 -0.139 -17.328 -5.572 1.00 0.00 ATOM 238 CA ASP A 32 -0.848 -17.071 -6.824 1.00 0.00 ATOM 239 CB ASP A 32 -0.436 -18.086 -7.891 1.00 0.00 ATOM 240 CG ASP A 32 0.965 -17.842 -8.419 1.00 0.00 ATOM 241 OD1 ASP A 32 1.524 -16.761 -8.139 1.00 0.00 ATOM 242 OD2 ASP A 32 1.502 -18.731 -9.111 1.00 0.00 ATOM 243 O ASP A 32 -3.127 -16.429 -7.184 1.00 0.00 ATOM 244 C ASP A 32 -2.348 -17.179 -6.598 1.00 0.00 ATOM 245 N LYS A 33 -2.758 -18.099 -5.730 1.00 0.00 ATOM 246 CA LYS A 33 -4.179 -18.254 -5.461 1.00 0.00 ATOM 247 CB LYS A 33 -4.429 -19.487 -4.590 1.00 0.00 ATOM 248 CG LYS A 33 -4.190 -20.809 -5.305 1.00 0.00 ATOM 249 CD LYS A 33 -4.461 -21.989 -4.385 1.00 0.00 ATOM 250 CE LYS A 33 -4.190 -23.309 -5.087 1.00 0.00 ATOM 251 NZ LYS A 33 -4.427 -24.474 -4.191 1.00 0.00 ATOM 252 O LYS A 33 -5.810 -16.579 -5.002 1.00 0.00 ATOM 253 C LYS A 33 -4.704 -17.035 -4.735 1.00 0.00 ATOM 254 N GLU A 34 -3.902 -16.497 -3.822 1.00 0.00 ATOM 255 CA GLU A 34 -4.283 -15.298 -3.084 1.00 0.00 ATOM 256 CB GLU A 34 -3.244 -15.094 -1.925 1.00 0.00 ATOM 257 CG GLU A 34 -3.251 -16.198 -0.891 1.00 0.00 ATOM 258 CD GLU A 34 -4.588 -16.307 -0.196 1.00 0.00 ATOM 259 OE1 GLU A 34 -5.097 -17.442 -0.062 1.00 0.00 ATOM 260 OE2 GLU A 34 -5.137 -15.257 0.221 1.00 0.00 ATOM 261 O GLU A 34 -5.215 -13.226 -3.877 1.00 0.00 ATOM 262 C GLU A 34 -4.405 -14.134 -4.050 1.00 0.00 ATOM 263 N THR A 35 -3.482 -14.141 -5.080 1.00 0.00 ATOM 264 CA THR A 35 -3.402 -12.978 -5.958 1.00 0.00 ATOM 265 CB THR A 35 -2.353 -13.292 -7.024 1.00 0.00 ATOM 266 CG2 THR A 35 -2.291 -12.143 -8.040 1.00 0.00 ATOM 267 OG1 THR A 35 -1.051 -13.394 -6.395 1.00 0.00 ATOM 268 O THR A 35 -5.220 -11.634 -6.805 1.00 0.00 ATOM 269 C THR A 35 -4.776 -12.764 -6.580 1.00 0.00 ATOM 270 N GLY A 36 -5.442 -13.853 -6.897 1.00 0.00 ATOM 271 CA GLY A 36 -6.774 -13.752 -7.437 1.00 0.00 ATOM 272 O GLY A 36 -8.672 -12.281 -7.075 1.00 0.00 ATOM 273 C GLY A 36 -7.817 -13.036 -6.579 1.00 0.00 ATOM 274 N ILE A 37 -7.449 -10.929 -4.738 1.00 0.00 ATOM 275 CA ILE A 37 -7.136 -9.660 -4.093 1.00 0.00 ATOM 276 CB ILE A 37 -5.797 -9.087 -4.594 1.00 0.00 ATOM 277 CG1 ILE A 37 -5.362 -7.908 -3.722 1.00 0.00 ATOM 278 CG2 ILE A 37 -5.929 -8.604 -6.030 1.00 0.00 ATOM 279 CD1 ILE A 37 -3.956 -7.426 -4.003 1.00 0.00 ATOM 280 O ILE A 37 -8.554 -8.349 -5.546 1.00 0.00 ATOM 281 C ILE A 37 -8.233 -8.616 -4.383 1.00 0.00 ATOM 282 N VAL A 38 -8.796 -8.039 -3.321 1.00 0.00 ATOM 283 CA VAL A 38 -9.850 -7.023 -3.425 1.00 0.00 ATOM 284 CB VAL A 38 -9.258 -5.607 -3.852 1.00 0.00 ATOM 285 CG1 VAL A 38 -10.227 -4.451 -3.624 1.00 0.00 ATOM 286 CG2 VAL A 38 -7.922 -5.319 -3.193 1.00 0.00 ATOM 287 O VAL A 38 -11.491 -6.764 -5.202 1.00 0.00 ATOM 288 C VAL A 38 -10.997 -7.468 -4.328 1.00 0.00 ATOM 289 N LYS A 39 -11.337 -8.813 -4.168 1.00 0.00 ATOM 290 CA LYS A 39 -12.251 -9.450 -5.098 1.00 0.00 ATOM 291 CB LYS A 39 -12.327 -10.951 -4.811 1.00 0.00 ATOM 292 CG LYS A 39 -13.387 -11.684 -5.616 1.00 0.00 ATOM 293 CD LYS A 39 -13.357 -13.179 -5.340 1.00 0.00 ATOM 294 CE LYS A 39 -14.439 -13.907 -6.120 1.00 0.00 ATOM 295 NZ LYS A 39 -14.417 -15.373 -5.862 1.00 0.00 ATOM 296 O LYS A 39 -14.417 -8.693 -5.789 1.00 0.00 ATOM 297 C LYS A 39 -13.663 -8.905 -4.847 1.00 0.00 ATOM 298 N GLU A 40 -14.008 -8.629 -3.594 1.00 0.00 ATOM 299 CA GLU A 40 -15.355 -8.141 -3.291 1.00 0.00 ATOM 300 CB GLU A 40 -15.765 -8.546 -1.874 1.00 0.00 ATOM 301 CG GLU A 40 -15.896 -10.047 -1.671 1.00 0.00 ATOM 302 CD GLU A 40 -16.296 -10.410 -0.254 1.00 0.00 ATOM 303 OE1 GLU A 40 -16.495 -9.486 0.562 1.00 0.00 ATOM 304 OE2 GLU A 40 -16.409 -11.619 0.039 1.00 0.00 ATOM 305 O GLU A 40 -16.694 -6.195 -3.577 1.00 0.00 ATOM 306 C GLU A 40 -15.568 -6.639 -3.363 1.00 0.00 ATOM 307 N ASP A 41 -14.414 -5.854 -3.311 1.00 0.00 ATOM 308 CA ASP A 41 -14.565 -4.404 -3.366 1.00 0.00 ATOM 309 CB ASP A 41 -13.633 -3.735 -2.355 1.00 0.00 ATOM 310 CG ASP A 41 -13.964 -4.108 -0.923 1.00 0.00 ATOM 311 OD1 ASP A 41 -15.128 -3.917 -0.514 1.00 0.00 ATOM 312 OD2 ASP A 41 -13.058 -4.590 -0.210 1.00 0.00 ATOM 313 O ASP A 41 -14.768 -2.805 -5.161 1.00 0.00 ATOM 314 C ASP A 41 -14.234 -3.831 -4.754 1.00 0.00 ATOM 315 N CYS A 42 -13.352 -4.499 -5.484 1.00 0.00 ATOM 316 CA CYS A 42 -12.986 -4.040 -6.816 1.00 0.00 ATOM 317 CB CYS A 42 -11.807 -3.068 -6.742 1.00 0.00 ATOM 318 SG CYS A 42 -11.456 -2.201 -8.289 1.00 0.00 ATOM 319 O CYS A 42 -11.428 -5.604 -7.731 1.00 0.00 ATOM 320 C CYS A 42 -12.606 -5.271 -7.603 1.00 0.00 ATOM 321 N GLU A 43 -13.611 -5.974 -8.126 1.00 0.00 ATOM 322 CA GLU A 43 -13.429 -7.197 -8.901 1.00 0.00 ATOM 323 CB GLU A 43 -14.765 -7.666 -9.482 1.00 0.00 ATOM 324 CG GLU A 43 -14.697 -9.012 -10.185 1.00 0.00 ATOM 325 CD GLU A 43 -16.055 -9.488 -10.662 1.00 0.00 ATOM 326 OE1 GLU A 43 -17.044 -8.751 -10.471 1.00 0.00 ATOM 327 OE2 GLU A 43 -16.128 -10.600 -11.227 1.00 0.00 ATOM 328 O GLU A 43 -12.071 -8.255 -10.563 1.00 0.00 ATOM 329 C GLU A 43 -12.542 -7.202 -10.145 1.00 0.00 ATOM 330 N ILE A 44 -12.253 -6.065 -10.695 1.00 0.00 ATOM 331 CA ILE A 44 -11.401 -5.987 -11.878 1.00 0.00 ATOM 332 CB ILE A 44 -11.747 -4.825 -12.828 1.00 0.00 ATOM 333 CG1 ILE A 44 -11.504 -3.481 -12.139 1.00 0.00 ATOM 334 CG2 ILE A 44 -13.208 -4.895 -13.245 1.00 0.00 ATOM 335 CD1 ILE A 44 -11.621 -2.290 -13.065 1.00 0.00 ATOM 336 O ILE A 44 -9.037 -5.984 -12.337 1.00 0.00 ATOM 337 C ILE A 44 -9.926 -5.820 -11.497 1.00 0.00 ATOM 338 N LYS A 45 -9.661 -5.529 -10.226 1.00 0.00 ATOM 339 CA LYS A 45 -8.286 -5.340 -9.808 1.00 0.00 ATOM 340 CB LYS A 45 -8.216 -5.065 -8.303 1.00 0.00 ATOM 341 CG LYS A 45 -6.807 -4.851 -7.778 1.00 0.00 ATOM 342 CD LYS A 45 -6.815 -4.547 -6.289 1.00 0.00 ATOM 343 CE LYS A 45 -5.403 -4.350 -5.757 1.00 0.00 ATOM 344 NZ LYS A 45 -5.393 -4.083 -4.293 1.00 0.00 ATOM 345 O LYS A 45 -6.328 -6.387 -10.734 1.00 0.00 ATOM 346 C LYS A 45 -7.326 -6.534 -10.045 1.00 0.00 ATOM 347 N GLY A 46 -7.629 -7.709 -9.512 1.00 0.00 ATOM 348 CA GLY A 46 -6.726 -8.853 -9.655 1.00 0.00 ATOM 349 O GLY A 46 -5.187 -9.531 -11.383 1.00 0.00 ATOM 350 C GLY A 46 -6.352 -9.232 -11.093 1.00 0.00 ATOM 351 N GLU A 47 -7.448 -9.203 -11.975 1.00 0.00 ATOM 352 CA GLU A 47 -7.265 -9.538 -13.386 1.00 0.00 ATOM 353 CB GLU A 47 -8.615 -9.822 -14.049 1.00 0.00 ATOM 354 CG GLU A 47 -9.308 -11.073 -13.534 1.00 0.00 ATOM 355 CD GLU A 47 -10.671 -11.283 -14.162 1.00 0.00 ATOM 356 OE1 GLU A 47 -11.079 -10.442 -14.991 1.00 0.00 ATOM 357 OE2 GLU A 47 -11.333 -12.288 -13.825 1.00 0.00 ATOM 358 O GLU A 47 -5.842 -8.700 -15.122 1.00 0.00 ATOM 359 C GLU A 47 -6.592 -8.430 -14.184 1.00 0.00 ATOM 360 N SER A 48 -6.855 -7.181 -13.822 1.00 0.00 ATOM 361 CA SER A 48 -6.281 -6.072 -14.581 1.00 0.00 ATOM 362 CB SER A 48 -7.227 -4.870 -14.560 1.00 0.00 ATOM 363 OG SER A 48 -7.354 -4.343 -13.251 1.00 0.00 ATOM 364 O SER A 48 -4.228 -4.781 -14.833 1.00 0.00 ATOM 365 C SER A 48 -4.911 -5.518 -14.096 1.00 0.00 ATOM 366 N VAL A 49 -4.579 -5.867 -12.775 1.00 0.00 ATOM 367 CA VAL A 49 -3.359 -5.314 -12.204 1.00 0.00 ATOM 368 CB VAL A 49 -3.162 -5.675 -10.720 1.00 0.00 ATOM 369 CG1 VAL A 49 -1.775 -5.264 -10.252 1.00 0.00 ATOM 370 CG2 VAL A 49 -4.192 -4.962 -9.856 1.00 0.00 ATOM 371 O VAL A 49 -2.184 -7.071 -13.342 1.00 0.00 ATOM 372 C VAL A 49 -2.181 -5.899 -12.981 1.00 0.00 ATOM 373 N ALA A 50 -1.187 -5.064 -13.243 1.00 0.00 ATOM 374 CA ALA A 50 0.037 -5.501 -13.910 1.00 0.00 ATOM 375 CB ALA A 50 0.205 -4.757 -15.227 1.00 0.00 ATOM 376 O ALA A 50 1.010 -4.372 -12.031 1.00 0.00 ATOM 377 C ALA A 50 1.161 -5.217 -12.924 1.00 0.00 ATOM 378 N GLY A 51 2.290 -5.959 -13.103 1.00 0.00 ATOM 379 CA GLY A 51 3.424 -5.760 -12.215 1.00 0.00 ATOM 380 O GLY A 51 3.821 -3.798 -13.517 1.00 0.00 ATOM 381 C GLY A 51 3.843 -4.302 -12.405 1.00 0.00 ATOM 382 N ARG A 52 4.255 -3.668 -11.224 1.00 0.00 ATOM 383 CA ARG A 52 4.667 -2.281 -11.317 1.00 0.00 ATOM 384 CB ARG A 52 5.377 -2.019 -12.657 1.00 0.00 ATOM 385 CG ARG A 52 6.779 -2.652 -12.748 1.00 0.00 ATOM 386 CD ARG A 52 7.456 -2.302 -14.063 1.00 0.00 ATOM 387 NE ARG A 52 6.693 -2.803 -15.207 1.00 0.00 ATOM 388 CZ ARG A 52 6.105 -2.051 -16.138 1.00 0.00 ATOM 389 NH1 ARG A 52 6.228 -0.728 -16.125 1.00 0.00 ATOM 390 NH2 ARG A 52 5.430 -2.635 -17.113 1.00 0.00 ATOM 391 O ARG A 52 3.813 -0.224 -10.451 1.00 0.00 ATOM 392 C ARG A 52 3.552 -1.355 -10.854 1.00 0.00 ATOM 393 N ILE A 53 2.304 -1.818 -10.935 1.00 0.00 ATOM 394 CA ILE A 53 1.190 -0.994 -10.466 1.00 0.00 ATOM 395 CB ILE A 53 -0.165 -1.683 -10.714 1.00 0.00 ATOM 396 CG1 ILE A 53 -0.449 -1.777 -12.214 1.00 0.00 ATOM 397 CG2 ILE A 53 -1.290 -0.897 -10.058 1.00 0.00 ATOM 398 CD1 ILE A 53 -1.641 -2.644 -12.556 1.00 0.00 ATOM 399 O ILE A 53 2.069 -1.506 -8.280 1.00 0.00 ATOM 400 C ILE A 53 1.368 -0.749 -8.973 1.00 0.00 ATOM 401 N LEU A 54 0.741 0.309 -8.479 1.00 0.00 ATOM 402 CA LEU A 54 0.855 0.659 -7.076 1.00 0.00 ATOM 403 CB LEU A 54 1.587 1.992 -6.914 1.00 0.00 ATOM 404 CG LEU A 54 3.037 2.034 -7.401 1.00 0.00 ATOM 405 CD1 LEU A 54 3.580 3.454 -7.353 1.00 0.00 ATOM 406 CD2 LEU A 54 3.922 1.156 -6.530 1.00 0.00 ATOM 407 O LEU A 54 -1.455 1.283 -6.985 1.00 0.00 ATOM 408 C LEU A 54 -0.490 0.801 -6.395 1.00 0.00 ATOM 409 N VAL A 55 -0.556 0.319 -5.164 1.00 0.00 ATOM 410 CA VAL A 55 -1.760 0.454 -4.372 1.00 0.00 ATOM 411 CB VAL A 55 -1.941 -0.738 -3.414 1.00 0.00 ATOM 412 CG1 VAL A 55 -3.182 -0.547 -2.556 1.00 0.00 ATOM 413 CG2 VAL A 55 -2.094 -2.033 -4.197 1.00 0.00 ATOM 414 O VAL A 55 -0.542 1.949 -2.933 1.00 0.00 ATOM 415 C VAL A 55 -1.563 1.756 -3.595 1.00 0.00 ATOM 416 N PHE A 56 -2.505 2.676 -3.736 1.00 0.00 ATOM 417 CA PHE A 56 -2.433 3.955 -3.046 1.00 0.00 ATOM 418 CB PHE A 56 -2.914 5.036 -4.008 1.00 0.00 ATOM 419 CG PHE A 56 -1.725 5.523 -4.801 1.00 0.00 ATOM 420 CD1 PHE A 56 -0.910 6.534 -4.332 1.00 0.00 ATOM 421 CD2 PHE A 56 -1.463 4.984 -6.041 1.00 0.00 ATOM 422 CE1 PHE A 56 0.195 6.974 -5.116 1.00 0.00 ATOM 423 CE2 PHE A 56 -0.399 5.356 -6.746 1.00 0.00 ATOM 424 CZ PHE A 56 0.453 6.388 -6.290 1.00 0.00 ATOM 425 O PHE A 56 -4.794 3.790 -2.671 1.00 0.00 ATOM 426 C PHE A 56 -3.688 4.040 -2.191 1.00 0.00 ATOM 427 N PRO A 57 -3.527 4.392 -0.921 1.00 0.00 ATOM 428 CA PRO A 57 -4.676 4.465 -0.038 1.00 0.00 ATOM 429 CB PRO A 57 -4.393 3.467 1.068 1.00 0.00 ATOM 430 CG PRO A 57 -3.420 2.444 0.451 1.00 0.00 ATOM 431 CD PRO A 57 -2.688 3.133 -0.651 1.00 0.00 ATOM 432 O PRO A 57 -3.508 6.393 0.842 1.00 0.00 ATOM 433 C PRO A 57 -4.555 5.716 0.827 1.00 0.00 ATOM 434 N GLY A 58 -5.669 5.813 1.666 1.00 0.00 ATOM 435 CA GLY A 58 -5.716 6.861 2.663 1.00 0.00 ATOM 436 O GLY A 58 -4.018 5.863 4.004 1.00 0.00 ATOM 437 C GLY A 58 -5.095 6.452 3.976 1.00 0.00 ATOM 438 N GLY A 59 -5.767 6.734 5.082 1.00 0.00 ATOM 439 CA GLY A 59 -5.172 6.376 6.360 1.00 0.00 ATOM 440 O GLY A 59 -6.357 4.281 6.225 1.00 0.00 ATOM 441 C GLY A 59 -5.455 4.939 6.764 1.00 0.00 ATOM 442 N LYS A 60 -4.632 4.453 7.685 1.00 0.00 ATOM 443 CA LYS A 60 -4.773 3.126 8.246 1.00 0.00 ATOM 444 CB LYS A 60 -6.028 3.043 9.117 1.00 0.00 ATOM 445 CG LYS A 60 -5.999 3.952 10.335 1.00 0.00 ATOM 446 CD LYS A 60 -7.282 3.837 11.141 1.00 0.00 ATOM 447 CE LYS A 60 -7.267 4.771 12.340 1.00 0.00 ATOM 448 NZ LYS A 60 -8.561 4.750 13.076 1.00 0.00 ATOM 449 O LYS A 60 -5.829 1.213 7.306 1.00 0.00 ATOM 450 C LYS A 60 -4.913 2.030 7.232 1.00 0.00 ATOM 451 N GLY A 61 -4.001 1.991 6.278 1.00 0.00 ATOM 452 CA GLY A 61 -4.098 0.944 5.296 1.00 0.00 ATOM 453 O GLY A 61 -2.511 -0.375 6.534 1.00 0.00 ATOM 454 C GLY A 61 -3.592 -0.337 5.937 1.00 0.00 ATOM 455 N SER A 62 -4.383 -1.392 5.813 1.00 0.00 ATOM 456 CA SER A 62 -3.972 -2.676 6.330 1.00 0.00 ATOM 457 CB SER A 62 -3.234 -3.443 5.182 1.00 0.00 ATOM 458 OG SER A 62 -1.961 -2.875 4.915 1.00 0.00 ATOM 459 O SER A 62 -3.365 -3.509 8.501 1.00 0.00 ATOM 460 C SER A 62 -4.198 -2.926 7.834 1.00 0.00 ATOM 461 N THR A 63 -5.270 -2.532 8.308 1.00 0.00 ATOM 462 CA THR A 63 -5.664 -2.660 9.710 1.00 0.00 ATOM 463 CB THR A 63 -6.542 -1.553 10.325 1.00 0.00 ATOM 464 CG2 THR A 63 -5.836 -0.208 10.247 1.00 0.00 ATOM 465 OG1 THR A 63 -7.780 -1.470 9.609 1.00 0.00 ATOM 466 O THR A 63 -6.446 -4.715 8.739 1.00 0.00 ATOM 467 C THR A 63 -6.378 -4.011 9.749 1.00 0.00 ATOM 468 N VAL A 64 -6.858 -4.394 10.925 1.00 0.00 ATOM 469 CA VAL A 64 -7.568 -5.657 11.073 1.00 0.00 ATOM 470 CB VAL A 64 -8.382 -5.968 9.802 1.00 0.00 ATOM 471 CG1 VAL A 64 -9.082 -7.312 9.935 1.00 0.00 ATOM 472 CG2 VAL A 64 -9.436 -4.897 9.571 1.00 0.00 ATOM 473 O VAL A 64 -5.693 -6.786 12.037 1.00 0.00 ATOM 474 C VAL A 64 -6.688 -6.872 11.329 1.00 0.00 ATOM 475 N GLY A 65 -7.070 -8.009 10.772 1.00 0.00 ATOM 476 CA GLY A 65 -6.328 -9.259 10.945 1.00 0.00 ATOM 477 O GLY A 65 -4.383 -8.364 9.824 1.00 0.00 ATOM 478 C GLY A 65 -4.822 -9.114 10.699 1.00 0.00 ATOM 479 N SER A 66 -4.051 -9.855 11.479 1.00 0.00 ATOM 480 CA SER A 66 -2.603 -9.853 11.394 1.00 0.00 ATOM 481 CB SER A 66 -1.988 -10.253 12.736 1.00 0.00 ATOM 482 OG SER A 66 -2.301 -11.597 13.058 1.00 0.00 ATOM 483 O SER A 66 -0.859 -10.922 10.165 1.00 0.00 ATOM 484 C SER A 66 -2.073 -10.821 10.343 1.00 0.00 ATOM 485 N TYR A 67 -2.964 -11.541 9.665 1.00 0.00 ATOM 486 CA TYR A 67 -2.534 -12.501 8.654 1.00 0.00 ATOM 487 CB TYR A 67 -3.745 -13.101 7.937 1.00 0.00 ATOM 488 CG TYR A 67 -4.544 -14.063 8.786 1.00 0.00 ATOM 489 CD1 TYR A 67 -5.775 -13.692 9.313 1.00 0.00 ATOM 490 CD2 TYR A 67 -4.067 -15.338 9.058 1.00 0.00 ATOM 491 CE1 TYR A 67 -6.514 -14.564 10.090 1.00 0.00 ATOM 492 CE2 TYR A 67 -4.791 -16.224 9.835 1.00 0.00 ATOM 493 CZ TYR A 67 -6.024 -15.825 10.351 1.00 0.00 ATOM 494 OH TYR A 67 -6.758 -16.695 11.125 1.00 0.00 ATOM 495 O TYR A 67 -1.871 -10.739 7.153 1.00 0.00 ATOM 496 C TYR A 67 -1.635 -11.872 7.579 1.00 0.00 ATOM 497 N VAL A 68 -0.569 -12.633 7.085 1.00 0.00 ATOM 498 CA VAL A 68 0.354 -12.137 6.055 1.00 0.00 ATOM 499 CB VAL A 68 1.845 -12.942 6.683 1.00 0.00 ATOM 500 CG1 VAL A 68 1.856 -13.248 8.174 1.00 0.00 ATOM 501 CG2 VAL A 68 1.775 -14.207 5.879 1.00 0.00 ATOM 502 O VAL A 68 0.451 -11.892 3.732 1.00 0.00 ATOM 503 C VAL A 68 -0.214 -12.318 4.635 1.00 0.00 ATOM 504 N LEU A 69 -1.357 -12.975 4.498 1.00 0.00 ATOM 505 CA LEU A 69 -1.859 -13.190 3.131 1.00 0.00 ATOM 506 CB LEU A 69 -3.140 -14.030 3.251 1.00 0.00 ATOM 507 CG LEU A 69 -2.933 -15.453 3.793 1.00 0.00 ATOM 508 CD1 LEU A 69 -4.277 -16.150 3.931 1.00 0.00 ATOM 509 CD2 LEU A 69 -2.011 -16.251 2.854 1.00 0.00 ATOM 510 O LEU A 69 -1.899 -11.862 1.156 1.00 0.00 ATOM 511 C LEU A 69 -2.082 -11.893 2.368 1.00 0.00 ATOM 512 N LEU A 70 -2.461 -10.816 3.057 1.00 0.00 ATOM 513 CA LEU A 70 -2.696 -9.548 2.348 1.00 0.00 ATOM 514 CB LEU A 70 -3.104 -8.452 3.334 1.00 0.00 ATOM 515 CG LEU A 70 -3.330 -7.058 2.743 1.00 0.00 ATOM 516 CD1 LEU A 70 -4.481 -7.076 1.749 1.00 0.00 ATOM 517 CD2 LEU A 70 -3.662 -6.057 3.838 1.00 0.00 ATOM 518 O LEU A 70 -1.434 -8.769 0.473 1.00 0.00 ATOM 519 C LEU A 70 -1.423 -9.060 1.663 1.00 0.00 ATOM 520 N ASN A 71 -0.223 -8.904 2.395 1.00 0.00 ATOM 521 CA ASN A 71 1.040 -8.455 1.811 1.00 0.00 ATOM 522 CB ASN A 71 2.129 -8.263 2.853 1.00 0.00 ATOM 523 CG ASN A 71 1.875 -7.065 3.744 1.00 0.00 ATOM 524 ND2 ASN A 71 2.237 -7.187 5.018 1.00 0.00 ATOM 525 OD1 ASN A 71 1.379 -6.036 3.291 1.00 0.00 ATOM 526 O ASN A 71 2.009 -9.095 -0.283 1.00 0.00 ATOM 527 C ASN A 71 1.442 -9.468 0.750 1.00 0.00 ATOM 528 N LEU A 72 1.191 -10.752 1.015 1.00 0.00 ATOM 529 CA LEU A 72 1.543 -11.818 0.069 1.00 0.00 ATOM 530 CB LEU A 72 1.194 -13.188 0.655 1.00 0.00 ATOM 531 CG LEU A 72 2.048 -13.658 1.835 1.00 0.00 ATOM 532 CD1 LEU A 72 1.484 -14.939 2.430 1.00 0.00 ATOM 533 CD2 LEU A 72 3.477 -13.928 1.390 1.00 0.00 ATOM 534 O LEU A 72 1.344 -11.888 -2.312 1.00 0.00 ATOM 535 C LEU A 72 0.796 -11.668 -1.239 1.00 0.00 ATOM 536 N ARG A 73 -0.443 -11.327 -1.163 1.00 0.00 ATOM 537 CA ARG A 73 -1.254 -11.179 -2.361 1.00 0.00 ATOM 538 CB ARG A 73 -2.735 -10.896 -1.934 1.00 0.00 ATOM 539 CG ARG A 73 -3.603 -12.099 -1.559 1.00 0.00 ATOM 540 CD ARG A 73 -4.926 -11.615 -0.948 1.00 0.00 ATOM 541 NE ARG A 73 -5.924 -12.670 -0.763 1.00 0.00 ATOM 542 CZ ARG A 73 -6.751 -13.111 -1.712 1.00 0.00 ATOM 543 NH1 ARG A 73 -6.714 -12.597 -2.935 1.00 0.00 ATOM 544 NH2 ARG A 73 -7.629 -14.066 -1.431 1.00 0.00 ATOM 545 O ARG A 73 -0.642 -10.148 -4.466 1.00 0.00 ATOM 546 C ARG A 73 -0.746 -10.024 -3.237 1.00 0.00 ATOM 547 N LYS A 74 -0.432 -8.907 -2.599 1.00 0.00 ATOM 548 CA LYS A 74 0.039 -7.734 -3.322 1.00 0.00 ATOM 549 CB LYS A 74 0.227 -6.537 -2.436 1.00 0.00 ATOM 550 CG LYS A 74 -1.040 -6.011 -1.886 1.00 0.00 ATOM 551 CD LYS A 74 -0.801 -4.884 -0.900 1.00 0.00 ATOM 552 CE LYS A 74 -2.102 -4.280 -0.457 1.00 0.00 ATOM 553 NZ LYS A 74 -2.013 -3.816 0.912 1.00 0.00 ATOM 554 O LYS A 74 1.561 -7.751 -5.181 1.00 0.00 ATOM 555 C LYS A 74 1.370 -8.032 -3.995 1.00 0.00 ATOM 556 N ASN A 75 2.285 -8.634 -3.249 1.00 0.00 ATOM 557 CA ASN A 75 3.575 -8.972 -3.820 1.00 0.00 ATOM 558 CB ASN A 75 4.482 -9.600 -2.760 1.00 0.00 ATOM 559 CG ASN A 75 5.892 -9.836 -3.265 1.00 0.00 ATOM 560 ND2 ASN A 75 6.296 -11.099 -3.317 1.00 0.00 ATOM 561 OD1 ASN A 75 6.606 -8.893 -3.605 1.00 0.00 ATOM 562 O ASN A 75 4.109 -9.839 -5.992 1.00 0.00 ATOM 563 C ASN A 75 3.428 -9.966 -4.972 1.00 0.00 ATOM 564 N GLY A 76 2.535 -10.944 -4.826 1.00 0.00 ATOM 565 CA GLY A 76 2.334 -11.953 -5.868 1.00 0.00 ATOM 566 O GLY A 76 2.238 -11.654 -8.233 1.00 0.00 ATOM 567 C GLY A 76 1.838 -11.295 -7.135 1.00 0.00 ATOM 568 N VAL A 77 0.939 -10.333 -6.987 1.00 0.00 ATOM 569 CA VAL A 77 0.444 -9.589 -8.146 1.00 0.00 ATOM 570 CB VAL A 77 -0.994 -9.019 -7.815 1.00 0.00 ATOM 571 CG1 VAL A 77 -0.881 -7.742 -6.985 1.00 0.00 ATOM 572 CG2 VAL A 77 -1.779 -8.783 -9.099 1.00 0.00 ATOM 573 O VAL A 77 1.099 -7.917 -9.695 1.00 0.00 ATOM 574 C VAL A 77 1.459 -8.615 -8.751 1.00 0.00 ATOM 575 N ALA A 78 2.782 -8.596 -8.236 1.00 0.00 ATOM 576 CA ALA A 78 3.801 -7.663 -8.732 1.00 0.00 ATOM 577 CB ALA A 78 3.779 -7.758 -10.250 1.00 0.00 ATOM 578 O ALA A 78 4.181 -5.332 -8.936 1.00 0.00 ATOM 579 C ALA A 78 3.580 -6.212 -8.350 1.00 0.00 ATOM 580 N PRO A 79 2.702 -5.948 -7.386 1.00 0.00 ATOM 581 CA PRO A 79 2.473 -4.565 -6.955 1.00 0.00 ATOM 582 CB PRO A 79 1.432 -4.624 -5.856 1.00 0.00 ATOM 583 CG PRO A 79 0.663 -5.902 -6.209 1.00 0.00 ATOM 584 CD PRO A 79 1.760 -6.832 -6.684 1.00 0.00 ATOM 585 O PRO A 79 4.503 -4.608 -5.681 1.00 0.00 ATOM 586 C PRO A 79 3.823 -4.001 -6.505 1.00 0.00 ATOM 587 N LYS A 80 4.209 -2.853 -7.053 1.00 0.00 ATOM 588 CA LYS A 80 5.503 -2.242 -6.721 1.00 0.00 ATOM 589 CB LYS A 80 5.677 -1.064 -7.818 1.00 0.00 ATOM 590 CG LYS A 80 7.103 -0.530 -8.042 1.00 0.00 ATOM 591 CD LYS A 80 8.134 -1.664 -8.106 1.00 0.00 ATOM 592 CE LYS A 80 9.363 -1.282 -8.913 1.00 0.00 ATOM 593 NZ LYS A 80 9.074 -1.302 -10.378 1.00 0.00 ATOM 594 O LYS A 80 6.642 -2.140 -4.654 1.00 0.00 ATOM 595 C LYS A 80 5.629 -1.894 -5.265 1.00 0.00 ATOM 596 N ALA A 81 4.537 -1.539 -4.617 1.00 0.00 ATOM 597 CA ALA A 81 4.556 -1.182 -3.229 1.00 0.00 ATOM 598 CB ALA A 81 5.703 -0.223 -2.948 1.00 0.00 ATOM 599 O ALA A 81 2.309 -0.474 -3.661 1.00 0.00 ATOM 600 C ALA A 81 3.252 -0.509 -2.857 1.00 0.00 ATOM 601 N ILE A 82 3.195 0.025 -1.656 1.00 0.00 ATOM 602 CA ILE A 82 2.009 0.688 -1.154 1.00 0.00 ATOM 603 CB ILE A 82 1.455 -0.060 0.067 1.00 0.00 ATOM 604 CG1 ILE A 82 1.200 -1.523 -0.315 1.00 0.00 ATOM 605 CG2 ILE A 82 0.136 0.574 0.493 1.00 0.00 ATOM 606 CD1 ILE A 82 0.681 -2.394 0.845 1.00 0.00 ATOM 607 O ILE A 82 3.296 2.237 0.160 1.00 0.00 ATOM 608 C ILE A 82 2.352 2.065 -0.618 1.00 0.00 ATOM 609 N ILE A 83 1.581 3.049 -1.038 1.00 0.00 ATOM 610 CA ILE A 83 1.785 4.414 -0.573 1.00 0.00 ATOM 611 CB ILE A 83 1.968 5.390 -1.750 1.00 0.00 ATOM 612 CG1 ILE A 83 3.193 4.999 -2.580 1.00 0.00 ATOM 613 CG2 ILE A 83 2.163 6.810 -1.240 1.00 0.00 ATOM 614 CD1 ILE A 83 3.325 5.774 -3.874 1.00 0.00 ATOM 615 O ILE A 83 -0.568 4.668 -0.283 1.00 0.00 ATOM 616 C ILE A 83 0.541 4.748 0.236 1.00 0.00 ATOM 617 N ASN A 84 0.678 5.071 1.502 1.00 0.00 ATOM 618 CA ASN A 84 -0.488 5.374 2.312 1.00 0.00 ATOM 619 CB ASN A 84 -1.167 4.073 2.855 1.00 0.00 ATOM 620 CG ASN A 84 -0.164 3.448 3.814 1.00 0.00 ATOM 621 ND2 ASN A 84 0.083 2.225 3.404 1.00 0.00 ATOM 622 OD1 ASN A 84 0.210 3.977 4.893 1.00 0.00 ATOM 623 O ASN A 84 0.964 6.810 3.557 1.00 0.00 ATOM 624 C ASN A 84 -0.193 6.474 3.315 1.00 0.00 ATOM 625 N LYS A 85 -1.239 7.056 3.877 1.00 0.00 ATOM 626 CA LYS A 85 -1.041 8.114 4.856 1.00 0.00 ATOM 627 CB LYS A 85 -2.354 8.854 5.119 1.00 0.00 ATOM 628 CG LYS A 85 -2.224 10.028 6.074 1.00 0.00 ATOM 629 CD LYS A 85 -3.539 10.777 6.211 1.00 0.00 ATOM 630 CE LYS A 85 -3.409 11.955 7.163 1.00 0.00 ATOM 631 NZ LYS A 85 -4.687 12.708 7.295 1.00 0.00 ATOM 632 O LYS A 85 0.180 8.163 6.900 1.00 0.00 ATOM 633 C LYS A 85 -0.545 7.513 6.164 1.00 0.00 ATOM 634 N LYS A 86 -1.018 6.224 6.550 1.00 0.00 ATOM 635 CA LYS A 86 -0.567 5.469 7.716 1.00 0.00 ATOM 636 CB LYS A 86 -1.301 5.938 8.975 1.00 0.00 ATOM 637 CG LYS A 86 -0.817 5.281 10.257 1.00 0.00 ATOM 638 CD LYS A 86 -1.505 5.874 11.475 1.00 0.00 ATOM 639 CE LYS A 86 -0.970 5.267 12.762 1.00 0.00 ATOM 640 NZ LYS A 86 -1.658 5.816 13.963 1.00 0.00 ATOM 641 O LYS A 86 -1.746 3.655 6.668 1.00 0.00 ATOM 642 C LYS A 86 -0.868 3.997 7.461 1.00 0.00 ATOM 643 N THR A 87 -0.146 3.131 8.148 1.00 0.00 ATOM 644 CA THR A 87 -0.301 1.693 7.988 1.00 0.00 ATOM 645 CB THR A 87 0.993 1.040 7.470 1.00 0.00 ATOM 646 CG2 THR A 87 0.787 -0.452 7.253 1.00 0.00 ATOM 647 OG1 THR A 87 1.370 1.642 6.225 1.00 0.00 ATOM 648 O THR A 87 -0.200 1.368 10.349 1.00 0.00 ATOM 649 C THR A 87 -0.636 0.970 9.271 1.00 0.00 ATOM 650 N GLU A 88 -1.423 -0.172 9.160 1.00 0.00 ATOM 651 CA GLU A 88 -1.650 -0.956 10.353 1.00 0.00 ATOM 652 CB GLU A 88 -2.196 -2.293 9.906 1.00 0.00 ATOM 653 CG GLU A 88 -2.147 -3.409 10.942 1.00 0.00 ATOM 654 CD GLU A 88 -2.789 -3.025 12.260 1.00 0.00 ATOM 655 OE1 GLU A 88 -4.057 -3.073 12.385 1.00 0.00 ATOM 656 OE2 GLU A 88 -2.005 -2.664 13.156 1.00 0.00 ATOM 657 O GLU A 88 0.639 -1.555 9.814 1.00 0.00 ATOM 658 C GLU A 88 -0.224 -1.393 10.682 1.00 0.00 ATOM 659 N THR A 89 0.141 -1.499 11.947 1.00 0.00 ATOM 660 CA THR A 89 1.457 -1.870 12.424 1.00 0.00 ATOM 661 CB THR A 89 1.523 -1.945 13.961 1.00 0.00 ATOM 662 CG2 THR A 89 2.907 -2.389 14.413 1.00 0.00 ATOM 663 OG1 THR A 89 1.246 -0.655 14.519 1.00 0.00 ATOM 664 O THR A 89 2.976 -3.349 11.304 1.00 0.00 ATOM 665 C THR A 89 1.870 -3.212 11.852 1.00 0.00 ATOM 666 N ILE A 90 0.907 -4.263 11.943 1.00 0.00 ATOM 667 CA ILE A 90 1.205 -5.607 11.486 1.00 0.00 ATOM 668 CB ILE A 90 0.068 -6.580 11.852 1.00 0.00 ATOM 669 CG1 ILE A 90 -0.014 -6.756 13.370 1.00 0.00 ATOM 670 CG2 ILE A 90 0.307 -7.941 11.220 1.00 0.00 ATOM 671 CD1 ILE A 90 -1.259 -7.480 13.834 1.00 0.00 ATOM 672 O ILE A 90 2.273 -6.397 9.486 1.00 0.00 ATOM 673 C ILE A 90 1.400 -5.674 9.974 1.00 0.00 ATOM 674 N ILE A 91 0.585 -4.953 9.243 1.00 0.00 ATOM 675 CA ILE A 91 0.723 -4.960 7.793 1.00 0.00 ATOM 676 CB ILE A 91 -0.436 -4.250 7.166 1.00 0.00 ATOM 677 CG1 ILE A 91 -1.743 -4.903 7.623 1.00 0.00 ATOM 678 CG2 ILE A 91 -0.331 -4.240 5.642 1.00 0.00 ATOM 679 CD1 ILE A 91 -2.031 -6.247 6.974 1.00 0.00 ATOM 680 O ILE A 91 2.722 -4.864 6.466 1.00 0.00 ATOM 681 C ILE A 91 2.079 -4.378 7.398 1.00 0.00 ATOM 682 N ALA A 92 2.490 -3.336 8.094 1.00 0.00 ATOM 683 CA ALA A 92 3.788 -2.727 7.807 1.00 0.00 ATOM 684 CB ALA A 92 4.040 -1.590 8.786 1.00 0.00 ATOM 685 O ALA A 92 5.759 -3.894 7.130 1.00 0.00 ATOM 686 C ALA A 92 4.856 -3.780 7.980 1.00 0.00 ATOM 687 N VAL A 93 4.795 -4.544 9.087 1.00 0.00 ATOM 688 CA VAL A 93 5.746 -5.591 9.342 1.00 0.00 ATOM 689 CB VAL A 93 5.464 -6.260 10.701 1.00 0.00 ATOM 690 CG1 VAL A 93 6.343 -7.487 10.883 1.00 0.00 ATOM 691 CG2 VAL A 93 5.748 -5.291 11.839 1.00 0.00 ATOM 692 O VAL A 93 6.714 -7.064 7.665 1.00 0.00 ATOM 693 C VAL A 93 5.673 -6.647 8.229 1.00 0.00 ATOM 694 N GLY A 94 4.461 -7.102 7.916 1.00 0.00 ATOM 695 CA GLY A 94 4.285 -8.124 6.902 1.00 0.00 ATOM 696 O GLY A 94 5.333 -8.468 4.779 1.00 0.00 ATOM 697 C GLY A 94 4.771 -7.670 5.538 1.00 0.00 ATOM 698 N ALA A 95 4.548 -6.397 5.221 1.00 0.00 ATOM 699 CA ALA A 95 4.969 -5.841 3.940 1.00 0.00 ATOM 700 CB ALA A 95 4.598 -4.369 3.854 1.00 0.00 ATOM 701 O ALA A 95 6.992 -6.499 2.825 1.00 0.00 ATOM 702 C ALA A 95 6.486 -5.971 3.812 1.00 0.00 ATOM 703 N ALA A 96 7.205 -5.536 4.831 1.00 0.00 ATOM 704 CA ALA A 96 8.660 -5.616 4.833 1.00 0.00 ATOM 705 CB ALA A 96 9.245 -4.935 6.065 1.00 0.00 ATOM 706 O ALA A 96 9.937 -7.492 4.020 1.00 0.00 ATOM 707 C ALA A 96 9.061 -7.092 4.793 1.00 0.00 ATOM 708 N MET A 97 8.413 -7.902 5.627 1.00 0.00 ATOM 709 CA MET A 97 8.715 -9.325 5.655 1.00 0.00 ATOM 710 CB MET A 97 7.952 -10.014 6.790 1.00 0.00 ATOM 711 CG MET A 97 8.464 -9.662 8.189 1.00 0.00 ATOM 712 SD MET A 97 10.229 -10.025 8.430 1.00 0.00 ATOM 713 CE MET A 97 10.250 -11.785 8.143 1.00 0.00 ATOM 714 O MET A 97 9.141 -10.743 3.768 1.00 0.00 ATOM 715 C MET A 97 8.364 -9.965 4.319 1.00 0.00 ATOM 716 N ALA A 98 7.197 -9.627 3.784 1.00 0.00 ATOM 717 CA ALA A 98 6.799 -10.192 2.500 1.00 0.00 ATOM 718 CB ALA A 98 5.397 -9.719 2.123 1.00 0.00 ATOM 719 O ALA A 98 7.272 -9.910 0.140 1.00 0.00 ATOM 720 C ALA A 98 7.521 -9.540 1.300 1.00 0.00 ATOM 721 N GLU A 99 8.425 -8.482 1.491 1.00 0.00 ATOM 722 CA GLU A 99 9.171 -7.753 0.433 1.00 0.00 ATOM 723 CB GLU A 99 10.695 -8.287 0.331 1.00 0.00 ATOM 724 CG GLU A 99 11.483 -7.995 1.622 1.00 0.00 ATOM 725 CD GLU A 99 12.705 -8.818 1.772 1.00 0.00 ATOM 726 OE1 GLU A 99 12.917 -9.750 0.978 1.00 0.00 ATOM 727 OE2 GLU A 99 13.480 -8.509 2.727 1.00 0.00 ATOM 728 O GLU A 99 8.561 -6.761 -1.654 1.00 0.00 ATOM 729 C GLU A 99 8.427 -6.739 -0.438 1.00 0.00 ATOM 730 N ILE A 100 7.695 -5.820 0.186 1.00 0.00 ATOM 731 CA ILE A 100 6.971 -4.784 -0.550 1.00 0.00 ATOM 732 CB ILE A 100 5.448 -5.003 -0.482 1.00 0.00 ATOM 733 CG1 ILE A 100 5.078 -6.355 -1.096 1.00 0.00 ATOM 734 CG2 ILE A 100 4.719 -3.910 -1.248 1.00 0.00 ATOM 735 CD1 ILE A 100 3.623 -6.730 -0.911 1.00 0.00 ATOM 736 O ILE A 100 7.125 -3.258 1.273 1.00 0.00 ATOM 737 C ILE A 100 7.309 -3.441 0.072 1.00 0.00 ATOM 738 N PRO A 101 7.798 -2.484 -0.731 1.00 0.00 ATOM 739 CA PRO A 101 8.146 -1.167 -0.200 1.00 0.00 ATOM 740 CB PRO A 101 8.666 -0.419 -1.430 1.00 0.00 ATOM 741 CG PRO A 101 9.223 -1.518 -2.286 1.00 0.00 ATOM 742 CD PRO A 101 8.295 -2.681 -2.112 1.00 0.00 ATOM 743 O PRO A 101 5.838 -0.546 -0.417 1.00 0.00 ATOM 744 C PRO A 101 6.919 -0.330 0.128 1.00 0.00 ATOM 745 N LEU A 102 7.082 0.604 1.057 1.00 0.00 ATOM 746 CA LEU A 102 5.978 1.433 1.499 1.00 0.00 ATOM 747 CB LEU A 102 5.503 0.997 2.887 1.00 0.00 ATOM 748 CG LEU A 102 4.964 -0.431 3.002 1.00 0.00 ATOM 749 CD1 LEU A 102 4.695 -0.789 4.456 1.00 0.00 ATOM 750 CD2 LEU A 102 3.662 -0.576 2.228 1.00 0.00 ATOM 751 O LEU A 102 7.479 3.233 1.939 1.00 0.00 ATOM 752 C LEU A 102 6.349 2.892 1.604 1.00 0.00 ATOM 753 N VAL A 103 5.388 3.753 1.314 1.00 0.00 ATOM 754 CA VAL A 103 5.617 5.188 1.389 1.00 0.00 ATOM 755 CB VAL A 103 5.333 5.805 0.007 1.00 0.00 ATOM 756 CG1 VAL A 103 5.174 7.335 0.142 1.00 0.00 ATOM 757 CG2 VAL A 103 6.477 5.501 -0.972 1.00 0.00 ATOM 758 O VAL A 103 3.426 5.314 2.370 1.00 0.00 ATOM 759 C VAL A 103 4.582 5.771 2.336 1.00 0.00 ATOM 760 N GLU A 104 5.011 6.752 3.131 1.00 0.00 ATOM 761 CA GLU A 104 4.145 7.384 4.108 1.00 0.00 ATOM 762 CB GLU A 104 4.552 6.789 5.535 1.00 0.00 ATOM 763 CG GLU A 104 5.889 7.398 5.934 1.00 0.00 ATOM 764 CD GLU A 104 6.478 6.861 7.226 1.00 0.00 ATOM 765 OE1 GLU A 104 5.721 6.307 8.039 1.00 0.00 ATOM 766 OE2 GLU A 104 7.703 7.068 7.371 1.00 0.00 ATOM 767 O GLU A 104 4.981 9.605 3.785 1.00 0.00 ATOM 768 C GLU A 104 4.008 8.856 3.762 1.00 0.00 ATOM 769 N VAL A 105 2.642 9.240 3.712 1.00 0.00 ATOM 770 CA VAL A 105 2.390 10.661 3.499 1.00 0.00 ATOM 771 CB VAL A 105 3.312 11.203 2.390 1.00 0.00 ATOM 772 CG1 VAL A 105 4.770 11.093 2.809 1.00 0.00 ATOM 773 CG2 VAL A 105 3.120 10.414 1.104 1.00 0.00 ATOM 774 O VAL A 105 0.198 10.032 2.789 1.00 0.00 ATOM 775 C VAL A 105 0.973 10.954 3.048 1.00 0.00 ATOM 776 N ARG A 106 0.643 12.241 2.924 1.00 0.00 ATOM 777 CA ARG A 106 -0.694 12.647 2.499 1.00 0.00 ATOM 778 CB ARG A 106 -0.817 14.172 2.503 1.00 0.00 ATOM 779 CG ARG A 106 -2.216 14.684 2.201 1.00 0.00 ATOM 780 CD ARG A 106 -2.266 16.202 2.227 1.00 0.00 ATOM 781 NE ARG A 106 -1.940 16.740 3.545 1.00 0.00 ATOM 782 CZ ARG A 106 -2.807 16.829 4.549 1.00 0.00 ATOM 783 NH1 ARG A 106 -2.420 17.331 5.714 1.00 0.00 ATOM 784 NH2 ARG A 106 -4.057 16.419 4.387 1.00 0.00 ATOM 785 O ARG A 106 -0.139 12.250 0.207 1.00 0.00 ATOM 786 C ARG A 106 -0.973 12.137 1.093 1.00 0.00 ATOM 787 N ASP A 107 -2.145 11.547 0.904 1.00 0.00 ATOM 788 CA ASP A 107 -2.492 10.981 -0.384 1.00 0.00 ATOM 789 CB ASP A 107 -2.887 9.510 -0.236 1.00 0.00 ATOM 790 CG ASP A 107 -4.143 9.325 0.593 1.00 0.00 ATOM 791 OD1 ASP A 107 -4.202 9.877 1.713 1.00 0.00 ATOM 792 OD2 ASP A 107 -5.068 8.629 0.124 1.00 0.00 ATOM 793 O ASP A 107 -4.025 11.127 -2.184 1.00 0.00 ATOM 794 C ASP A 107 -3.645 11.623 -1.129 1.00 0.00 ATOM 795 N GLU A 108 -4.217 12.701 -0.598 1.00 0.00 ATOM 796 CA GLU A 108 -5.328 13.383 -1.254 1.00 0.00 ATOM 797 CB GLU A 108 -5.814 14.557 -0.403 1.00 0.00 ATOM 798 CG GLU A 108 -6.537 14.144 0.869 1.00 0.00 ATOM 799 CD GLU A 108 -6.895 15.328 1.745 1.00 0.00 ATOM 800 OE1 GLU A 108 -6.513 16.465 1.395 1.00 0.00 ATOM 801 OE2 GLU A 108 -7.559 15.120 2.783 1.00 0.00 ATOM 802 O GLU A 108 -5.564 13.706 -3.615 1.00 0.00 ATOM 803 C GLU A 108 -4.865 13.908 -2.618 1.00 0.00 ATOM 804 N LYS A 109 -3.699 14.495 -2.714 1.00 0.00 ATOM 805 CA LYS A 109 -3.197 14.979 -3.991 1.00 0.00 ATOM 806 CB LYS A 109 -1.936 15.850 -3.758 1.00 0.00 ATOM 807 CG LYS A 109 -1.513 16.753 -4.927 1.00 0.00 ATOM 808 CD LYS A 109 -2.583 17.792 -5.363 1.00 0.00 ATOM 809 CE LYS A 109 -2.661 19.035 -4.429 1.00 0.00 ATOM 810 NZ LYS A 109 -3.366 20.235 -5.050 1.00 0.00 ATOM 811 O LYS A 109 -3.091 13.901 -6.125 1.00 0.00 ATOM 812 C LYS A 109 -2.806 13.843 -4.928 1.00 0.00 ATOM 813 N PHE A 110 -2.150 12.795 -4.401 1.00 0.00 ATOM 814 CA PHE A 110 -1.757 11.662 -5.234 1.00 0.00 ATOM 815 CB PHE A 110 -1.104 10.564 -4.450 1.00 0.00 ATOM 816 CG PHE A 110 0.409 10.818 -4.322 1.00 0.00 ATOM 817 CD1 PHE A 110 1.193 10.977 -5.437 1.00 0.00 ATOM 818 CD2 PHE A 110 1.007 10.888 -3.064 1.00 0.00 ATOM 819 CE1 PHE A 110 2.562 11.204 -5.347 1.00 0.00 ATOM 820 CE2 PHE A 110 2.365 11.125 -2.956 1.00 0.00 ATOM 821 CZ PHE A 110 3.146 11.279 -4.081 1.00 0.00 ATOM 822 O PHE A 110 -2.857 10.463 -6.967 1.00 0.00 ATOM 823 C PHE A 110 -2.948 10.917 -5.839 1.00 0.00 ATOM 824 N PHE A 111 -4.027 10.860 -4.925 1.00 0.00 ATOM 825 CA PHE A 111 -5.254 10.232 -5.432 1.00 0.00 ATOM 826 CB PHE A 111 -6.380 10.346 -4.403 1.00 0.00 ATOM 827 CG PHE A 111 -7.686 9.768 -4.867 1.00 0.00 ATOM 828 CD1 PHE A 111 -7.916 8.404 -4.806 1.00 0.00 ATOM 829 CD2 PHE A 111 -8.684 10.588 -5.365 1.00 0.00 ATOM 830 CE1 PHE A 111 -9.119 7.872 -5.232 1.00 0.00 ATOM 831 CE2 PHE A 111 -9.887 10.056 -5.791 1.00 0.00 ATOM 832 CZ PHE A 111 -10.107 8.704 -5.728 1.00 0.00 ATOM 833 O PHE A 111 -5.904 10.301 -7.754 1.00 0.00 ATOM 834 C PHE A 111 -5.682 10.946 -6.728 1.00 0.00 ATOM 835 N GLU A 112 -5.679 12.278 -6.689 1.00 0.00 ATOM 836 CA GLU A 112 -6.026 13.049 -7.878 1.00 0.00 ATOM 837 CB GLU A 112 -6.090 14.541 -7.543 1.00 0.00 ATOM 838 CG GLU A 112 -7.301 14.940 -6.721 1.00 0.00 ATOM 839 CD GLU A 112 -7.373 16.432 -6.487 1.00 0.00 ATOM 840 OE1 GLU A 112 -6.995 17.192 -7.405 1.00 0.00 ATOM 841 OE2 GLU A 112 -7.817 16.846 -5.397 1.00 0.00 ATOM 842 O GLU A 112 -5.402 12.664 -10.164 1.00 0.00 ATOM 843 C GLU A 112 -5.024 12.822 -9.004 1.00 0.00 ATOM 844 N ALA A 113 -3.744 12.797 -8.647 1.00 0.00 ATOM 845 CA ALA A 113 -2.678 12.591 -9.621 1.00 0.00 ATOM 846 CB ALA A 113 -1.322 12.736 -8.947 1.00 0.00 ATOM 847 O ALA A 113 -2.479 11.051 -11.447 1.00 0.00 ATOM 848 C ALA A 113 -2.789 11.216 -10.268 1.00 0.00 ATOM 849 N VAL A 114 -3.221 10.228 -9.493 1.00 0.00 ATOM 850 CA VAL A 114 -3.372 8.878 -10.013 1.00 0.00 ATOM 851 CB VAL A 114 -3.642 7.868 -8.876 1.00 0.00 ATOM 852 CG1 VAL A 114 -3.895 6.489 -9.454 1.00 0.00 ATOM 853 CG2 VAL A 114 -2.460 7.834 -7.927 1.00 0.00 ATOM 854 O VAL A 114 -4.417 8.186 -12.062 1.00 0.00 ATOM 855 C VAL A 114 -4.521 8.825 -11.015 1.00 0.00 ATOM 856 N LYS A 115 -5.601 9.499 -10.685 1.00 0.00 ATOM 857 CA LYS A 115 -6.751 9.537 -11.568 1.00 0.00 ATOM 858 CB LYS A 115 -7.887 10.340 -10.934 1.00 0.00 ATOM 859 CG LYS A 115 -9.154 10.394 -11.774 1.00 0.00 ATOM 860 CD LYS A 115 -10.264 11.138 -11.052 1.00 0.00 ATOM 861 CE LYS A 115 -11.520 11.219 -11.904 1.00 0.00 ATOM 862 NZ LYS A 115 -12.614 11.959 -11.215 1.00 0.00 ATOM 863 O LYS A 115 -6.874 9.887 -13.932 1.00 0.00 ATOM 864 C LYS A 115 -6.336 10.201 -12.874 1.00 0.00 ATOM 865 N THR A 116 -5.327 11.128 -12.802 1.00 0.00 ATOM 866 CA THR A 116 -4.858 11.842 -13.986 1.00 0.00 ATOM 867 CB THR A 116 -4.407 13.271 -13.633 1.00 0.00 ATOM 868 CG2 THR A 116 -5.540 14.039 -12.968 1.00 0.00 ATOM 869 OG1 THR A 116 -3.293 13.217 -12.733 1.00 0.00 ATOM 870 O THR A 116 -3.268 11.695 -15.781 1.00 0.00 ATOM 871 C THR A 116 -3.674 11.216 -14.719 1.00 0.00 ATOM 872 N GLY A 117 -3.090 10.131 -14.183 1.00 0.00 ATOM 873 CA GLY A 117 -1.973 9.451 -14.815 1.00 0.00 ATOM 874 O GLY A 117 0.348 9.809 -15.310 1.00 0.00 ATOM 875 C GLY A 117 -0.625 10.121 -14.599 1.00 0.00 ATOM 876 N ASP A 118 -0.589 11.065 -13.653 1.00 0.00 ATOM 877 CA ASP A 118 0.639 11.824 -13.415 1.00 0.00 ATOM 878 CB ASP A 118 0.397 12.924 -12.380 1.00 0.00 ATOM 879 CG ASP A 118 -0.416 14.077 -12.933 1.00 0.00 ATOM 880 OD1 ASP A 118 -0.627 14.118 -14.163 1.00 0.00 ATOM 881 OD2 ASP A 118 -0.843 14.940 -12.138 1.00 0.00 ATOM 882 O ASP A 118 1.456 10.019 -12.067 1.00 0.00 ATOM 883 C ASP A 118 1.728 10.889 -12.896 1.00 0.00 ATOM 884 N ARG A 119 2.955 11.102 -13.349 1.00 0.00 ATOM 885 CA ARG A 119 4.094 10.305 -12.875 1.00 0.00 ATOM 886 CB ARG A 119 4.980 9.702 -14.007 1.00 0.00 ATOM 887 CG ARG A 119 5.937 10.678 -14.611 1.00 0.00 ATOM 888 CD ARG A 119 6.813 10.030 -15.696 1.00 0.00 ATOM 889 NE ARG A 119 7.788 10.983 -16.186 1.00 0.00 ATOM 890 CZ ARG A 119 8.671 10.696 -17.162 1.00 0.00 ATOM 891 NH1 ARG A 119 8.687 9.501 -17.696 1.00 0.00 ATOM 892 NH2 ARG A 119 9.499 11.612 -17.544 1.00 0.00 ATOM 893 O ARG A 119 5.085 12.213 -11.844 1.00 0.00 ATOM 894 C ARG A 119 4.736 11.033 -11.728 1.00 0.00 ATOM 895 N VAL A 120 4.835 10.391 -10.545 1.00 0.00 ATOM 896 CA VAL A 120 5.414 11.112 -9.383 1.00 0.00 ATOM 897 CB VAL A 120 4.231 11.624 -8.510 1.00 0.00 ATOM 898 CG1 VAL A 120 3.321 12.519 -9.340 1.00 0.00 ATOM 899 CG2 VAL A 120 3.405 10.445 -8.008 1.00 0.00 ATOM 900 O VAL A 120 6.359 9.023 -8.669 1.00 0.00 ATOM 901 C VAL A 120 6.405 10.254 -8.611 1.00 0.00 ATOM 902 N VAL A 121 7.397 10.915 -8.028 1.00 0.00 ATOM 903 CA VAL A 121 8.421 10.225 -7.249 1.00 0.00 ATOM 904 CB VAL A 121 9.838 10.598 -7.722 1.00 0.00 ATOM 905 CG1 VAL A 121 10.885 9.896 -6.873 1.00 0.00 ATOM 906 CG2 VAL A 121 10.041 10.187 -9.173 1.00 0.00 ATOM 907 O VAL A 121 8.291 11.923 -5.535 1.00 0.00 ATOM 908 C VAL A 121 8.148 10.729 -5.832 1.00 0.00 ATOM 909 N VAL A 122 7.777 9.806 -4.955 1.00 0.00 ATOM 910 CA VAL A 122 7.401 10.163 -3.602 1.00 0.00 ATOM 911 CB VAL A 122 5.926 9.830 -3.281 1.00 0.00 ATOM 912 CG1 VAL A 122 5.604 8.366 -3.495 1.00 0.00 ATOM 913 CG2 VAL A 122 5.529 10.259 -1.872 1.00 0.00 ATOM 914 O VAL A 122 8.747 8.411 -2.611 1.00 0.00 ATOM 915 C VAL A 122 8.390 9.611 -2.602 1.00 0.00 ATOM 916 N ASN A 123 8.820 10.504 -1.714 1.00 0.00 ATOM 917 CA ASN A 123 9.567 10.141 -0.511 1.00 0.00 ATOM 918 CB ASN A 123 10.658 11.186 -0.275 1.00 0.00 ATOM 919 CG ASN A 123 11.658 10.759 0.782 1.00 0.00 ATOM 920 ND2 ASN A 123 12.831 11.380 0.771 1.00 0.00 ATOM 921 OD1 ASN A 123 11.376 9.881 1.596 1.00 0.00 ATOM 922 O ASN A 123 8.226 11.032 1.285 1.00 0.00 ATOM 923 C ASN A 123 8.616 10.031 0.680 1.00 0.00 ATOM 924 N ALA A 124 8.229 8.803 1.014 1.00 0.00 ATOM 925 CA ALA A 124 7.276 8.589 2.098 1.00 0.00 ATOM 926 CB ALA A 124 7.092 7.152 2.320 1.00 0.00 ATOM 927 O ALA A 124 7.008 9.681 4.213 1.00 0.00 ATOM 928 C ALA A 124 7.783 9.129 3.430 1.00 0.00 ATOM 929 N ASP A 125 9.053 8.997 3.671 1.00 0.00 ATOM 930 CA ASP A 125 9.635 9.478 4.917 1.00 0.00 ATOM 931 CB ASP A 125 11.097 9.045 5.033 1.00 0.00 ATOM 932 CG ASP A 125 11.247 7.547 5.214 1.00 0.00 ATOM 933 OD1 ASP A 125 10.237 6.881 5.522 1.00 0.00 ATOM 934 OD2 ASP A 125 12.377 7.039 5.048 1.00 0.00 ATOM 935 O ASP A 125 9.251 11.467 6.181 1.00 0.00 ATOM 936 C ASP A 125 9.586 10.988 5.109 1.00 0.00 ATOM 937 N GLU A 126 9.886 11.748 4.064 1.00 0.00 ATOM 938 CA GLU A 126 9.889 13.206 4.188 1.00 0.00 ATOM 939 CB GLU A 126 11.269 13.747 3.610 1.00 0.00 ATOM 940 CG GLU A 126 12.561 13.044 4.116 1.00 0.00 ATOM 941 CD GLU A 126 12.554 12.702 5.622 1.00 0.00 ATOM 942 OE1 GLU A 126 12.464 11.478 5.980 1.00 0.00 ATOM 943 OE2 GLU A 126 12.632 13.654 6.449 1.00 0.00 ATOM 944 O GLU A 126 8.346 15.033 4.120 1.00 0.00 ATOM 945 C GLU A 126 8.594 13.883 3.763 1.00 0.00 ATOM 946 N GLY A 127 7.774 13.190 2.979 1.00 0.00 ATOM 947 CA GLY A 127 6.547 13.806 2.530 1.00 0.00 ATOM 948 O GLY A 127 5.981 15.603 1.014 1.00 0.00 ATOM 949 C GLY A 127 6.770 14.715 1.286 1.00 0.00 ATOM 950 N TYR A 128 8.025 14.431 0.616 1.00 0.00 ATOM 951 CA TYR A 128 8.362 15.189 -0.580 1.00 0.00 ATOM 952 CB TYR A 128 9.857 15.684 -0.554 1.00 0.00 ATOM 953 CG TYR A 128 10.238 16.621 0.560 1.00 0.00 ATOM 954 CD1 TYR A 128 9.743 17.915 0.572 1.00 0.00 ATOM 955 CD2 TYR A 128 11.104 16.225 1.577 1.00 0.00 ATOM 956 CE1 TYR A 128 10.113 18.819 1.591 1.00 0.00 ATOM 957 CE2 TYR A 128 11.438 17.106 2.622 1.00 0.00 ATOM 958 CZ TYR A 128 10.948 18.397 2.607 1.00 0.00 ATOM 959 OH TYR A 128 11.307 19.281 3.619 1.00 0.00 ATOM 960 O TYR A 128 8.281 13.324 -2.109 1.00 0.00 ATOM 961 C TYR A 128 7.872 14.448 -1.826 1.00 0.00 ATOM 962 N VAL A 129 6.988 15.097 -2.573 1.00 0.00 ATOM 963 CA VAL A 129 6.446 14.514 -3.791 1.00 0.00 ATOM 964 CB VAL A 129 4.907 14.547 -3.785 1.00 0.00 ATOM 965 CG1 VAL A 129 4.356 13.961 -5.076 1.00 0.00 ATOM 966 CG2 VAL A 129 4.361 13.738 -2.618 1.00 0.00 ATOM 967 O VAL A 129 6.557 16.463 -5.169 1.00 0.00 ATOM 968 C VAL A 129 6.932 15.276 -5.016 1.00 0.00 ATOM 969 N GLU A 130 7.716 14.629 -5.824 1.00 0.00 ATOM 970 CA GLU A 130 8.219 15.277 -7.045 1.00 0.00 ATOM 971 CB GLU A 130 9.647 14.801 -7.323 1.00 0.00 ATOM 972 CG GLU A 130 10.275 15.412 -8.564 1.00 0.00 ATOM 973 CD GLU A 130 11.682 14.906 -8.816 1.00 0.00 ATOM 974 OE1 GLU A 130 12.166 14.076 -8.018 1.00 0.00 ATOM 975 OE2 GLU A 130 12.301 15.341 -9.809 1.00 0.00 ATOM 976 O GLU A 130 7.106 13.767 -8.554 1.00 0.00 ATOM 977 C GLU A 130 7.325 14.939 -8.234 1.00 0.00 ATOM 978 N LEU A 131 6.824 15.974 -8.863 1.00 0.00 ATOM 979 CA LEU A 131 5.940 15.824 -10.018 1.00 0.00 ATOM 980 CB LEU A 131 4.527 16.346 -9.747 1.00 0.00 ATOM 981 CG LEU A 131 3.538 16.258 -10.909 1.00 0.00 ATOM 982 CD1 LEU A 131 3.331 14.812 -11.333 1.00 0.00 ATOM 983 CD2 LEU A 131 2.187 16.833 -10.510 1.00 0.00 ATOM 984 O LEU A 131 6.543 17.870 -11.109 1.00 0.00 ATOM 985 C LEU A 131 6.637 16.647 -11.098 1.00 0.00 ATOM 986 N ILE A 132 7.323 15.975 -12.017 1.00 0.00 ATOM 987 CA ILE A 132 8.049 16.706 -13.042 1.00 0.00 ATOM 988 CB ILE A 132 7.152 17.739 -13.746 1.00 0.00 ATOM 989 CG1 ILE A 132 5.998 17.041 -14.468 1.00 0.00 ATOM 990 CG2 ILE A 132 7.952 18.531 -14.769 1.00 0.00 ATOM 991 CD1 ILE A 132 4.959 17.990 -15.022 1.00 0.00 ATOM 992 O ILE A 132 9.911 16.742 -11.560 1.00 0.00 ATOM 993 C ILE A 132 9.182 17.392 -12.303 1.00 0.00 ATOM 994 N GLU A 133 9.354 18.692 -12.503 1.00 0.00 ATOM 995 CA GLU A 133 10.413 19.399 -11.786 1.00 0.00 ATOM 996 CB GLU A 133 11.191 20.308 -12.738 1.00 0.00 ATOM 997 CG GLU A 133 11.895 19.570 -13.865 1.00 0.00 ATOM 998 CD GLU A 133 12.671 20.501 -14.775 1.00 0.00 ATOM 999 OE1 GLU A 133 12.702 21.717 -14.495 1.00 0.00 ATOM 1000 OE2 GLU A 133 13.250 20.013 -15.769 1.00 0.00 ATOM 1001 O GLU A 133 10.501 20.769 -9.808 1.00 0.00 ATOM 1002 C GLU A 133 9.792 20.099 -10.578 1.00 0.00 ATOM 1003 N LEU A 134 8.441 19.949 -10.237 1.00 0.00 ATOM 1004 CA LEU A 134 7.763 20.595 -9.119 1.00 0.00 ATOM 1005 CB LEU A 134 6.296 20.737 -9.531 1.00 0.00 ATOM 1006 CG LEU A 134 6.023 21.565 -10.787 1.00 0.00 ATOM 1007 CD1 LEU A 134 4.538 21.553 -11.126 1.00 0.00 ATOM 1008 CD2 LEU A 134 6.452 23.010 -10.584 1.00 0.00 ATOM 1009 O LEU A 134 7.844 18.518 -7.908 1.00 0.00 ATOM 1010 C LEU A 134 7.843 19.751 -7.852 1.00 0.00 ATOM 1011 N GLU A 135 7.907 20.410 -6.707 1.00 0.00 ATOM 1012 CA GLU A 135 7.995 19.700 -5.448 1.00 0.00 ATOM 1013 CB GLU A 135 9.295 20.064 -4.729 1.00 0.00 ATOM 1014 CG GLU A 135 10.554 19.685 -5.492 1.00 0.00 ATOM 1015 CD GLU A 135 11.818 20.170 -4.809 1.00 0.00 ATOM 1016 OE1 GLU A 135 12.043 19.792 -3.640 1.00 0.00 ATOM 1017 OE2 GLU A 135 12.583 20.928 -5.441 1.00 0.00 ATOM 1018 O GLU A 135 6.480 21.154 -4.279 1.00 0.00 ATOM 1019 C GLU A 135 6.764 19.989 -4.582 1.00 0.00 ATOM 1020 N HIS A 136 6.078 18.955 -4.114 1.00 0.00 ATOM 1021 CA HIS A 136 4.900 19.195 -3.288 1.00 0.00 ATOM 1022 CB HIS A 136 3.628 18.708 -4.006 1.00 0.00 ATOM 1023 CG HIS A 136 3.274 19.451 -5.248 1.00 0.00 ATOM 1024 CD2 HIS A 136 3.342 19.088 -6.549 1.00 0.00 ATOM 1025 ND1 HIS A 136 2.703 20.704 -5.219 1.00 0.00 ATOM 1026 CE1 HIS A 136 2.416 21.076 -6.454 1.00 0.00 ATOM 1027 NE2 HIS A 136 2.798 20.116 -7.275 1.00 0.00 ATOM 1028 O HIS A 136 5.623 17.465 -1.801 1.00 0.00 ATOM 1029 C HIS A 136 5.203 18.611 -1.933 1.00 0.00 ATOM 1030 N HIS A 137 5.051 19.429 -0.921 1.00 0.00 ATOM 1031 CA HIS A 137 5.219 18.980 0.437 1.00 0.00 ATOM 1032 CB HIS A 137 5.866 20.108 1.276 1.00 0.00 ATOM 1033 CG HIS A 137 6.154 19.713 2.688 1.00 0.00 ATOM 1034 CD2 HIS A 137 5.361 19.170 3.644 1.00 0.00 ATOM 1035 ND1 HIS A 137 7.396 19.888 3.272 1.00 0.00 ATOM 1036 CE1 HIS A 137 7.348 19.480 4.534 1.00 0.00 ATOM 1037 NE2 HIS A 137 6.126 19.047 4.784 1.00 0.00 ATOM 1038 O HIS A 137 2.970 19.552 1.023 1.00 0.00 ATOM 1039 C HIS A 137 3.821 18.658 0.933 1.00 0.00 ATOM 1040 N HIS A 138 3.568 17.382 1.263 1.00 0.00 ATOM 1041 CA HIS A 138 2.247 17.013 1.760 1.00 0.00 ATOM 1042 CB HIS A 138 2.028 15.595 1.929 1.00 0.00 ATOM 1043 CG HIS A 138 1.954 14.927 0.583 1.00 0.00 ATOM 1044 CD2 HIS A 138 2.879 14.239 -0.093 1.00 0.00 ATOM 1045 ND1 HIS A 138 0.853 15.002 -0.272 1.00 0.00 ATOM 1046 CE1 HIS A 138 1.113 14.256 -1.346 1.00 0.00 ATOM 1047 NE2 HIS A 138 2.356 13.802 -1.267 1.00 0.00 ATOM 1048 O HIS A 138 0.849 18.160 3.394 1.00 0.00 ATOM 1049 C HIS A 138 1.941 17.668 3.142 1.00 0.00 ATOM 1050 N HIS A 139 2.930 17.709 4.009 1.00 0.00 ATOM 1051 CA HIS A 139 2.793 18.323 5.336 1.00 0.00 ATOM 1052 CB HIS A 139 3.993 18.129 6.175 1.00 0.00 ATOM 1053 CG HIS A 139 3.973 16.784 6.818 1.00 0.00 ATOM 1054 CD2 HIS A 139 4.451 15.586 6.402 1.00 0.00 ATOM 1055 ND1 HIS A 139 3.277 16.536 7.985 1.00 0.00 ATOM 1056 CE1 HIS A 139 3.374 15.251 8.283 1.00 0.00 ATOM 1057 NE2 HIS A 139 4.080 14.654 7.339 1.00 0.00 ATOM 1058 O HIS A 139 1.685 20.373 5.926 1.00 0.00 ATOM 1059 C HIS A 139 2.532 19.814 5.215 1.00 0.00 ATOM 1060 N HIS A 140 3.157 20.446 4.240 1.00 0.00 ATOM 1061 CA HIS A 140 2.951 21.875 4.013 1.00 0.00 ATOM 1062 CB HIS A 140 3.964 22.431 3.014 1.00 0.00 ATOM 1063 CG HIS A 140 4.011 23.920 2.968 1.00 0.00 ATOM 1064 CD2 HIS A 140 4.728 24.814 3.684 1.00 0.00 ATOM 1065 ND1 HIS A 140 3.214 24.656 2.120 1.00 0.00 ATOM 1066 CE1 HIS A 140 3.448 25.942 2.305 1.00 0.00 ATOM 1067 NE2 HIS A 140 4.368 26.064 3.243 1.00 0.00 ATOM 1068 O HIS A 140 0.836 23.048 3.980 1.00 0.00 ATOM 1069 C HIS A 140 1.509 22.138 3.521 1.00 0.00 ATOM 1070 N HIS A 141 1.010 21.333 2.554 1.00 0.00 ATOM 1071 CA HIS A 141 -0.359 21.551 2.062 1.00 0.00 ATOM 1072 CB HIS A 141 -0.554 20.443 0.958 1.00 0.00 ATOM 1073 CG HIS A 141 -1.855 20.629 0.267 1.00 0.00 ATOM 1074 CD2 HIS A 141 -2.383 21.596 -0.508 1.00 0.00 ATOM 1075 ND1 HIS A 141 -2.820 19.680 0.379 1.00 0.00 ATOM 1076 CE1 HIS A 141 -3.901 20.061 -0.284 1.00 0.00 ATOM 1077 NE2 HIS A 141 -3.671 21.246 -0.856 1.00 0.00 ATOM 1078 O HIS A 141 -2.361 22.262 3.165 1.00 0.00 ATOM 1079 C HIS A 141 -1.419 21.471 3.155 1.00 0.00 ENDMDL EXPDTA 2hi6A MODEL 2 REMARK 44 REMARK 44 model 2 is called 2hi6A ATOM 1 N VAL 2 5.514 15.241 -11.173 1.00 0.00 ATOM 2 CA VAL 2 5.511 15.532 -9.748 1.00 0.00 ATOM 3 CB VAL 2 4.099 15.902 -9.243 1.00 0.00 ATOM 4 CG1 VAL 2 4.146 16.373 -7.796 1.00 0.00 ATOM 5 CG2 VAL 2 3.469 16.970 -10.124 1.00 0.00 ATOM 6 O VAL 2 5.685 13.194 -9.239 1.00 0.00 ATOM 7 C VAL 2 6.032 14.340 -8.958 1.00 0.00 ATOM 8 N LYS 3 6.875 14.619 -7.981 1.00 0.00 ATOM 9 CA LYS 3 7.428 13.586 -7.127 1.00 0.00 ATOM 10 CB LYS 3 8.897 13.333 -7.495 1.00 0.00 ATOM 11 CG LYS 3 9.741 14.598 -7.580 1.00 0.00 ATOM 12 CD LYS 3 11.076 14.334 -8.253 1.00 0.00 ATOM 13 CE LYS 3 11.943 15.583 -8.284 1.00 0.00 ATOM 14 NZ LYS 3 13.136 15.403 -9.151 1.00 0.00 ATOM 15 O LYS 3 7.875 14.974 -5.222 1.00 0.00 ATOM 16 C LYS 3 7.276 13.997 -5.667 1.00 0.00 ATOM 17 N PHE 4 6.450 13.267 -4.933 1.00 0.00 ATOM 18 CA PHE 4 6.156 13.621 -3.549 1.00 0.00 ATOM 19 CB PHE 4 4.706 13.284 -3.188 1.00 0.00 ATOM 20 CG PHE 4 3.673 14.062 -3.954 1.00 0.00 ATOM 21 CD1 PHE 4 3.005 13.485 -5.023 1.00 0.00 ATOM 22 CD2 PHE 4 3.359 15.364 -3.596 1.00 0.00 ATOM 23 CE1 PHE 4 2.044 14.193 -5.720 1.00 0.00 ATOM 24 CE2 PHE 4 2.401 16.077 -4.290 1.00 0.00 ATOM 25 CZ PHE 4 1.743 15.491 -5.353 1.00 0.00 ATOM 26 O PHE 4 7.579 11.809 -2.884 1.00 0.00 ATOM 27 C PHE 4 7.084 12.895 -2.587 1.00 0.00 ATOM 28 N ALA 5 7.308 13.505 -1.435 1.00 0.00 ATOM 29 CA ALA 5 8.083 12.884 -0.374 1.00 0.00 ATOM 30 CB ALA 5 9.068 13.880 0.221 1.00 0.00 ATOM 31 O ALA 5 6.333 13.105 1.244 1.00 0.00 ATOM 32 C ALA 5 7.147 12.355 0.701 1.00 0.00 ATOM 33 N CYS 6 7.255 11.074 1.006 1.00 0.00 ATOM 34 CA CYS 6 6.354 10.452 1.960 1.00 0.00 ATOM 35 CB CYS 6 5.561 9.336 1.279 1.00 0.00 ATOM 36 SG CYS 6 4.683 9.861 -0.209 1.00 0.00 ATOM 37 O CYS 6 8.358 9.895 3.162 1.00 0.00 ATOM 38 C CYS 6 7.126 9.894 3.150 1.00 0.00 ATOM 39 N ARG 7 6.396 9.414 4.140 1.00 0.00 ATOM 40 CA ARG 7 6.993 8.860 5.339 1.00 0.00 ATOM 41 CB ARG 7 6.114 9.191 6.545 1.00 0.00 ATOM 42 CG ARG 7 6.607 8.628 7.864 1.00 0.00 ATOM 43 CD ARG 7 5.733 9.107 9.013 1.00 0.00 ATOM 44 NE ARG 7 6.119 8.514 10.293 1.00 0.00 ATOM 45 CZ ARG 7 6.044 9.153 11.463 1.00 0.00 ATOM 46 NH1 ARG 7 5.628 10.417 11.508 1.00 0.00 ATOM 47 NH2 ARG 7 6.393 8.535 12.583 1.00 0.00 ATOM 48 O ARG 7 6.181 6.614 5.099 1.00 0.00 ATOM 49 C ARG 7 7.160 7.358 5.171 1.00 0.00 ATOM 50 N ALA 8 8.403 6.926 5.083 1.00 0.00 ATOM 51 CA ALA 8 8.714 5.545 4.744 1.00 0.00 ATOM 52 CB ALA 8 10.000 5.480 3.931 1.00 0.00 ATOM 53 O ALA 8 9.401 5.093 6.998 1.00 0.00 ATOM 54 C ALA 8 8.832 4.678 5.986 1.00 0.00 ATOM 55 N ILE 9 8.272 3.480 5.913 1.00 0.00 ATOM 56 CA ILE 9 8.406 2.518 6.989 1.00 0.00 ATOM 57 CB ILE 9 7.063 1.841 7.359 1.00 0.00 ATOM 58 CG1 ILE 9 6.020 2.872 7.811 1.00 0.00 ATOM 59 CG2 ILE 9 7.280 0.815 8.458 1.00 0.00 ATOM 60 CD1 ILE 9 5.327 3.595 6.675 1.00 0.00 ATOM 61 O ILE 9 10.375 1.183 7.318 1.00 0.00 ATOM 62 C ILE 9 9.419 1.454 6.590 1.00 0.00 ATOM 63 N THR 10 9.211 0.868 5.421 1.00 0.00 ATOM 64 CA THR 10 10.141 -0.103 4.876 1.00 0.00 ATOM 65 CB THR 10 9.401 -1.339 4.319 1.00 0.00 ATOM 66 CG2 THR 10 8.712 -2.101 5.438 1.00 0.00 ATOM 67 OG1 THR 10 8.426 -0.943 3.346 1.00 0.00 ATOM 68 O THR 10 10.771 1.714 3.448 1.00 0.00 ATOM 69 C THR 10 10.984 0.547 3.782 1.00 0.00 ATOM 70 N ARG 11 11.937 -0.192 3.231 1.00 0.00 ATOM 71 CA ARG 11 12.838 0.364 2.231 1.00 0.00 ATOM 72 CB ARG 11 14.270 0.397 2.770 1.00 0.00 ATOM 73 CG ARG 11 14.418 1.264 4.009 1.00 0.00 ATOM 74 CD ARG 11 15.854 1.321 4.496 1.00 0.00 ATOM 75 NE ARG 11 15.979 2.133 5.704 1.00 0.00 ATOM 76 CZ ARG 11 16.993 2.955 5.954 1.00 0.00 ATOM 77 NH1 ARG 11 17.984 3.083 5.079 1.00 0.00 ATOM 78 NH2 ARG 11 17.020 3.641 7.091 1.00 0.00 ATOM 79 O ARG 11 11.963 -1.349 0.798 1.00 0.00 ATOM 80 C ARG 11 12.772 -0.430 0.932 1.00 0.00 ATOM 81 N GLY 12 13.622 -0.071 -0.019 1.00 0.00 ATOM 82 CA GLY 12 13.575 -0.685 -1.329 1.00 0.00 ATOM 83 O GLY 12 12.347 1.254 -1.966 1.00 0.00 ATOM 84 C GLY 12 12.902 0.221 -2.336 1.00 0.00 ATOM 85 N ARG 13 12.941 -0.148 -3.603 1.00 0.00 ATOM 86 CA ARG 13 12.344 0.681 -4.639 1.00 0.00 ATOM 87 CB ARG 13 13.396 1.602 -5.290 1.00 0.00 ATOM 88 CG ARG 13 14.374 0.925 -6.250 1.00 0.00 ATOM 89 CD ARG 13 15.190 -0.186 -5.595 1.00 0.00 ATOM 90 NE ARG 13 15.917 0.257 -4.405 1.00 0.00 ATOM 91 CZ ARG 13 17.091 -0.244 -4.024 1.00 0.00 ATOM 92 NH1 ARG 13 17.730 -1.123 -4.789 1.00 0.00 ATOM 93 NH2 ARG 13 17.633 0.133 -2.874 1.00 0.00 ATOM 94 O ARG 13 12.131 -1.249 -6.056 1.00 0.00 ATOM 95 C ARG 13 11.638 -0.186 -5.677 1.00 0.00 ATOM 96 N ALA 14 10.477 0.264 -6.122 1.00 0.00 ATOM 97 CA ALA 14 9.651 -0.523 -7.023 1.00 0.00 ATOM 98 CB ALA 14 8.511 -1.166 -6.253 1.00 0.00 ATOM 99 O ALA 14 8.797 1.501 -7.990 1.00 0.00 ATOM 100 C ALA 14 9.103 0.321 -8.163 1.00 0.00 ATOM 101 N GLU 15 8.981 -0.297 -9.328 1.00 0.00 ATOM 102 CA GLU 15 8.459 0.370 -10.508 1.00 0.00 ATOM 103 CB GLU 15 9.564 0.540 -11.567 1.00 0.00 ATOM 104 CG GLU 15 10.085 -0.767 -12.175 1.00 0.00 ATOM 105 CD GLU 15 10.821 -1.656 -11.186 1.00 0.00 ATOM 106 OE1 GLU 15 12.062 -1.560 -11.109 1.00 0.00 ATOM 107 OE2 GLU 15 10.163 -2.462 -10.486 1.00 0.00 ATOM 108 O GLU 15 7.403 -1.610 -11.383 1.00 0.00 ATOM 109 C GLU 15 7.282 -0.420 -11.080 1.00 0.00 ATOM 110 N GLY 16 6.135 0.224 -11.204 1.00 0.00 ATOM 111 CA GLY 16 4.987 -0.459 -11.754 1.00 0.00 ATOM 112 O GLY 16 3.971 1.697 -11.889 1.00 0.00 ATOM 113 C GLY 16 3.871 0.487 -12.116 1.00 0.00 ATOM 114 N GLU 17 2.820 -0.065 -12.693 1.00 0.00 ATOM 115 CA GLU 17 1.647 0.707 -13.053 1.00 0.00 ATOM 116 CB GLU 17 0.819 -0.065 -14.078 1.00 0.00 ATOM 117 CG GLU 17 -0.400 0.686 -14.573 1.00 0.00 ATOM 118 CD GLU 17 -1.210 -0.133 -15.546 1.00 0.00 ATOM 119 OE1 GLU 17 -2.168 -0.799 -15.110 1.00 0.00 ATOM 120 OE2 GLU 17 -0.875 -0.133 -16.748 1.00 0.00 ATOM 121 O GLU 17 0.627 0.126 -10.963 1.00 0.00 ATOM 122 C GLU 17 0.817 1.000 -11.810 1.00 0.00 ATOM 123 N ALA 18 0.327 2.222 -11.708 1.00 0.00 ATOM 124 CA ALA 18 -0.424 2.651 -10.544 1.00 0.00 ATOM 125 CB ALA 18 -0.376 4.166 -10.412 1.00 0.00 ATOM 126 O ALA 18 -2.560 2.425 -11.607 1.00 0.00 ATOM 127 C ALA 18 -1.865 2.172 -10.624 1.00 0.00 ATOM 128 N LEU 19 -2.289 1.465 -9.593 1.00 0.00 ATOM 129 CA LEU 19 -3.652 0.979 -9.490 1.00 0.00 ATOM 130 CB LEU 19 -3.652 -0.557 -9.421 1.00 0.00 ATOM 131 CG LEU 19 -4.989 -1.257 -9.710 1.00 0.00 ATOM 132 CD1 LEU 19 -4.758 -2.741 -9.919 1.00 0.00 ATOM 133 CD2 LEU 19 -5.989 -1.048 -8.579 1.00 0.00 ATOM 134 O LEU 19 -3.805 1.392 -7.129 1.00 0.00 ATOM 135 C LEU 19 -4.298 1.575 -8.245 1.00 0.00 ATOM 136 N VAL 20 -5.389 2.294 -8.433 1.00 0.00 ATOM 137 CA VAL 20 -6.078 2.912 -7.321 1.00 0.00 ATOM 138 CB VAL 20 -6.224 4.444 -7.537 1.00 0.00 ATOM 139 CG1 VAL 20 -7.176 4.789 -8.674 1.00 0.00 ATOM 140 CG2 VAL 20 -6.648 5.123 -6.258 1.00 0.00 ATOM 141 O VAL 20 -8.272 2.180 -8.001 1.00 0.00 ATOM 142 C VAL 20 -7.435 2.237 -7.099 1.00 0.00 ATOM 143 N THR 21 -7.629 1.673 -5.910 1.00 0.00 ATOM 144 CA THR 21 -8.849 0.923 -5.624 1.00 0.00 ATOM 145 CB THR 21 -8.552 -0.304 -4.735 1.00 0.00 ATOM 146 CG2 THR 21 -8.135 0.136 -3.342 1.00 0.00 ATOM 147 OG1 THR 21 -9.701 -1.160 -4.639 1.00 0.00 ATOM 148 O THR 21 -11.046 1.392 -4.770 1.00 0.00 ATOM 149 C THR 21 -9.898 1.803 -4.961 1.00 0.00 ATOM 150 N LYS 22 -9.484 3.020 -4.638 1.00 0.00 ATOM 151 CA LYS 22 -10.370 4.056 -4.105 1.00 0.00 ATOM 152 CB LYS 22 -11.538 4.272 -5.079 1.00 0.00 ATOM 153 CG LYS 22 -12.709 5.052 -4.507 1.00 0.00 ATOM 154 CD LYS 22 -13.876 5.070 -5.483 1.00 0.00 ATOM 155 CE LYS 22 -15.129 5.649 -4.850 1.00 0.00 ATOM 156 NZ LYS 22 -16.262 5.702 -5.809 1.00 0.00 ATOM 157 O LYS 22 -10.625 4.521 -1.761 1.00 0.00 ATOM 158 C LYS 22 -10.887 3.755 -2.687 1.00 0.00 ATOM 159 N GLU 23 -11.613 2.655 -2.528 1.00 0.00 ATOM 160 CA GLU 23 -12.302 2.347 -1.275 1.00 0.00 ATOM 161 CB GLU 23 -13.328 1.233 -1.500 1.00 0.00 ATOM 162 CG GLU 23 -14.550 1.679 -2.291 1.00 0.00 ATOM 163 CD GLU 23 -15.366 2.722 -1.553 1.00 0.00 ATOM 164 OE1 GLU 23 -15.462 3.869 -2.042 1.00 0.00 ATOM 165 OE2 GLU 23 -15.911 2.404 -0.477 1.00 0.00 ATOM 166 O GLU 23 -10.178 1.609 -0.405 1.00 0.00 ATOM 167 C GLU 23 -11.338 1.947 -0.158 1.00 0.00 ATOM 168 N TYR 24 -11.844 1.984 1.073 1.00 0.00 ATOM 169 CA TYR 24 -11.060 1.631 2.248 1.00 0.00 ATOM 170 CB TYR 24 -11.640 2.268 3.516 1.00 0.00 ATOM 171 CG TYR 24 -11.642 3.780 3.547 1.00 0.00 ATOM 172 CD1 TYR 24 -10.542 4.486 4.017 1.00 0.00 ATOM 173 CD2 TYR 24 -12.760 4.500 3.140 1.00 0.00 ATOM 174 CE1 TYR 24 -10.559 5.866 4.082 1.00 0.00 ATOM 175 CE2 TYR 24 -12.779 5.880 3.197 1.00 0.00 ATOM 176 CZ TYR 24 -11.679 6.558 3.670 1.00 0.00 ATOM 177 OH TYR 24 -11.700 7.933 3.746 1.00 0.00 ATOM 178 O TYR 24 -11.767 -0.419 3.282 1.00 0.00 ATOM 179 C TYR 24 -11.037 0.118 2.444 1.00 0.00 ATOM 180 N ILE 25 -10.219 -0.574 1.673 1.00 0.00 ATOM 181 CA ILE 25 -10.108 -2.016 1.812 1.00 0.00 ATOM 182 CB ILE 25 -10.231 -2.756 0.459 1.00 0.00 ATOM 183 CG1 ILE 25 -9.177 -2.268 -0.540 1.00 0.00 ATOM 184 CG2 ILE 25 -11.630 -2.573 -0.114 1.00 0.00 ATOM 185 CD1 ILE 25 -9.159 -3.051 -1.837 1.00 0.00 ATOM 186 O ILE 25 -7.745 -1.826 2.176 1.00 0.00 ATOM 187 C ILE 25 -8.796 -2.384 2.488 1.00 0.00 ATOM 188 N SER 26 -8.869 -3.305 3.432 1.00 0.00 ATOM 189 CA SER 26 -7.694 -3.718 4.175 1.00 0.00 ATOM 190 CB SER 26 -7.956 -3.603 5.679 1.00 0.00 ATOM 191 OG SER 26 -6.763 -3.780 6.425 1.00 0.00 ATOM 192 O SER 26 -8.021 -5.799 3.028 1.00 0.00 ATOM 193 C SER 26 -7.319 -5.147 3.802 1.00 0.00 ATOM 194 N PHE 27 -6.235 -5.638 4.380 1.00 0.00 ATOM 195 CA PHE 27 -5.703 -6.945 4.028 1.00 0.00 ATOM 196 CB PHE 27 -4.187 -6.947 4.190 1.00 0.00 ATOM 197 CG PHE 27 -3.515 -5.938 3.308 1.00 0.00 ATOM 198 CD1 PHE 27 -2.970 -4.784 3.844 1.00 0.00 ATOM 199 CD2 PHE 27 -3.452 -6.135 1.938 1.00 0.00 ATOM 200 CE1 PHE 27 -2.371 -3.844 3.028 1.00 0.00 ATOM 201 CE2 PHE 27 -2.852 -5.200 1.118 1.00 0.00 ATOM 202 CZ PHE 27 -2.311 -4.054 1.665 1.00 0.00 ATOM 203 O PHE 27 -5.747 -9.092 5.108 1.00 0.00 ATOM 204 C PHE 27 -6.349 -8.049 4.854 1.00 0.00 ATOM 205 N LEU 28 -7.599 -7.811 5.245 1.00 0.00 ATOM 206 CA LEU 28 -8.428 -8.833 5.875 1.00 0.00 ATOM 207 CB LEU 28 -9.761 -8.214 6.322 1.00 0.00 ATOM 208 CG LEU 28 -10.180 -8.472 7.774 1.00 0.00 ATOM 209 CD1 LEU 28 -10.259 -9.963 8.066 1.00 0.00 ATOM 210 CD2 LEU 28 -9.225 -7.783 8.736 1.00 0.00 ATOM 211 O LEU 28 -9.009 -11.081 5.198 1.00 0.00 ATOM 212 C LEU 28 -8.692 -9.942 4.855 1.00 0.00 ATOM 213 N GLY 29 -8.551 -9.564 3.592 1.00 0.00 ATOM 214 CA GLY 29 -8.756 -10.465 2.483 1.00 0.00 ATOM 215 O GLY 29 -7.765 -8.969 0.913 1.00 0.00 ATOM 216 C GLY 29 -8.717 -9.702 1.176 1.00 0.00 ATOM 217 N GLY 30 -9.740 -9.873 0.357 1.00 0.00 ATOM 218 CA GLY 30 -9.874 -9.076 -0.844 1.00 0.00 ATOM 219 O GLY 30 -9.648 -9.701 -3.129 1.00 0.00 ATOM 220 C GLY 30 -9.130 -9.662 -2.024 1.00 0.00 ATOM 221 N ILE 31 -7.914 -10.112 -1.786 1.00 0.00 ATOM 222 CA ILE 31 -7.076 -10.677 -2.835 1.00 0.00 ATOM 223 CB ILE 31 -5.670 -10.032 -2.830 1.00 0.00 ATOM 224 CG1 ILE 31 -5.786 -8.507 -2.912 1.00 0.00 ATOM 225 CG2 ILE 31 -4.830 -10.565 -3.986 1.00 0.00 ATOM 226 CD1 ILE 31 -4.455 -7.789 -2.815 1.00 0.00 ATOM 227 O ILE 31 -6.780 -12.657 -1.513 1.00 0.00 ATOM 228 C ILE 31 -6.941 -12.185 -2.640 1.00 0.00 ATOM 229 N ASP 32 -7.042 -12.935 -3.731 1.00 0.00 ATOM 230 CA ASP 32 -6.861 -14.384 -3.685 1.00 0.00 ATOM 231 CB ASP 32 -7.223 -15.022 -5.026 1.00 0.00 ATOM 232 CG ASP 32 -7.177 -16.536 -4.973 1.00 0.00 ATOM 233 OD1 ASP 32 -6.064 -17.104 -4.987 1.00 0.00 ATOM 234 OD2 ASP 32 -8.256 -17.163 -4.935 1.00 0.00 ATOM 235 O ASP 32 -4.485 -14.196 -3.937 1.00 0.00 ATOM 236 C ASP 32 -5.419 -14.712 -3.320 1.00 0.00 ATOM 237 N LYS 33 -5.254 -15.587 -2.335 1.00 0.00 ATOM 238 CA LYS 33 -3.953 -15.855 -1.730 1.00 0.00 ATOM 239 CB LYS 33 -4.129 -16.792 -0.530 1.00 0.00 ATOM 240 CG LYS 33 -4.765 -18.132 -0.869 1.00 0.00 ATOM 241 CD LYS 33 -5.401 -18.769 0.357 1.00 0.00 ATOM 242 CE LYS 33 -5.975 -20.142 0.040 1.00 0.00 ATOM 243 NZ LYS 33 -4.908 -21.162 -0.133 1.00 0.00 ATOM 244 O LYS 33 -1.742 -16.139 -2.612 1.00 0.00 ATOM 245 C LYS 33 -2.932 -16.424 -2.722 1.00 0.00 ATOM 246 N GLU 34 -3.383 -17.213 -3.692 1.00 0.00 ATOM 247 CA GLU 34 -2.456 -17.813 -4.652 1.00 0.00 ATOM 248 CB GLU 34 -2.651 -19.327 -4.747 1.00 0.00 ATOM 249 CG GLU 34 -1.747 -20.124 -3.818 1.00 0.00 ATOM 250 CD GLU 34 -2.153 -20.040 -2.365 1.00 0.00 ATOM 251 OE1 GLU 34 -1.462 -19.357 -1.580 1.00 0.00 ATOM 252 OE2 GLU 34 -3.155 -20.682 -1.993 1.00 0.00 ATOM 253 O GLU 34 -1.614 -17.049 -6.764 1.00 0.00 ATOM 254 C GLU 34 -2.596 -17.196 -6.039 1.00 0.00 ATOM 255 N THR 35 -3.813 -16.839 -6.407 1.00 0.00 ATOM 256 CA THR 35 -4.086 -16.350 -7.748 1.00 0.00 ATOM 257 CB THR 35 -5.555 -16.571 -8.115 1.00 0.00 ATOM 258 CG2 THR 35 -5.743 -16.598 -9.622 1.00 0.00 ATOM 259 OG1 THR 35 -6.012 -17.814 -7.555 1.00 0.00 ATOM 260 O THR 35 -3.382 -14.405 -8.979 1.00 0.00 ATOM 261 C THR 35 -3.731 -14.867 -7.890 1.00 0.00 ATOM 262 N GLY 36 -3.814 -14.128 -6.788 1.00 0.00 ATOM 263 CA GLY 36 -3.479 -12.714 -6.811 1.00 0.00 ATOM 264 O GLY 36 -4.314 -10.741 -7.876 1.00 0.00 ATOM 265 C GLY 36 -4.562 -11.872 -7.453 1.00 0.00 ATOM 266 N ILE 37 -5.764 -12.425 -7.522 1.00 0.00 ATOM 267 CA ILE 37 -6.898 -11.728 -8.109 1.00 0.00 ATOM 268 CB ILE 37 -7.812 -12.699 -8.897 1.00 0.00 ATOM 269 CG1 ILE 37 -7.042 -13.359 -10.047 1.00 0.00 ATOM 270 CG2 ILE 37 -9.047 -11.978 -9.425 1.00 0.00 ATOM 271 CD1 ILE 37 -6.521 -12.384 -11.080 1.00 0.00 ATOM 272 O ILE 37 -8.028 -11.669 -6.000 1.00 0.00 ATOM 273 C ILE 37 -7.713 -11.049 -7.018 1.00 0.00 ATOM 274 N VAL 38 -8.028 -9.775 -7.216 1.00 0.00 ATOM 275 CA VAL 38 -8.883 -9.054 -6.286 1.00 0.00 ATOM 276 CB VAL 38 -8.819 -7.521 -6.496 1.00 0.00 ATOM 277 CG1 VAL 38 -7.478 -6.984 -6.036 1.00 0.00 ATOM 278 CG2 VAL 38 -9.063 -7.150 -7.949 1.00 0.00 ATOM 279 O VAL 38 -11.022 -9.304 -7.391 1.00 0.00 ATOM 280 C VAL 38 -10.326 -9.550 -6.401 1.00 0.00 ATOM 281 N LYS 39 -10.747 -10.276 -5.383 1.00 0.00 ATOM 282 CA LYS 39 -12.069 -10.870 -5.334 1.00 0.00 ATOM 283 CB LYS 39 -12.001 -12.205 -4.594 1.00 0.00 ATOM 284 CG LYS 39 -10.996 -13.176 -5.194 1.00 0.00 ATOM 285 CD LYS 39 -11.427 -13.648 -6.576 1.00 0.00 ATOM 286 CE LYS 39 -12.591 -14.624 -6.491 1.00 0.00 ATOM 287 NZ LYS 39 -12.187 -15.900 -5.842 1.00 0.00 ATOM 288 O LYS 39 -14.247 -10.154 -4.630 1.00 0.00 ATOM 289 C LYS 39 -13.037 -9.930 -4.634 1.00 0.00 ATOM 290 N GLU 40 -12.482 -8.888 -4.024 1.00 0.00 ATOM 291 CA GLU 40 -13.279 -7.866 -3.362 1.00 0.00 ATOM 292 CB GLU 40 -12.447 -7.146 -2.293 1.00 0.00 ATOM 293 CG GLU 40 -13.232 -6.131 -1.473 1.00 0.00 ATOM 294 CD GLU 40 -14.474 -6.724 -0.838 1.00 0.00 ATOM 295 OE1 GLU 40 -15.562 -6.624 -1.449 1.00 0.00 ATOM 296 OE2 GLU 40 -14.372 -7.284 0.269 1.00 0.00 ATOM 297 O GLU 40 -13.212 -6.689 -5.455 1.00 0.00 ATOM 298 C GLU 40 -13.811 -6.877 -4.394 1.00 0.00 ATOM 299 N ASP 41 -14.932 -6.255 -4.079 1.00 0.00 ATOM 300 CA ASP 41 -15.617 -5.384 -5.015 1.00 0.00 ATOM 301 CB ASP 41 -17.123 -5.634 -4.943 1.00 0.00 ATOM 302 CG ASP 41 -17.915 -4.713 -5.846 1.00 0.00 ATOM 303 OD1 ASP 41 -17.910 -4.935 -7.075 1.00 0.00 ATOM 304 OD2 ASP 41 -18.565 -3.780 -5.325 1.00 0.00 ATOM 305 O ASP 41 -15.276 -3.495 -3.574 1.00 0.00 ATOM 306 C ASP 41 -15.315 -3.919 -4.728 1.00 0.00 ATOM 307 N CYS 42 -15.089 -3.160 -5.789 1.00 0.00 ATOM 308 CA CYS 42 -14.860 -1.723 -5.693 1.00 0.00 ATOM 309 CB CYS 42 -13.437 -1.430 -5.191 1.00 0.00 ATOM 310 SG CYS 42 -12.126 -2.227 -6.147 1.00 0.00 ATOM 311 O CYS 42 -15.921 -0.178 -7.201 1.00 0.00 ATOM 312 C CYS 42 -15.095 -1.083 -7.055 1.00 0.00 ATOM 313 N GLU 43 -14.367 -1.583 -8.047 1.00 0.00 ATOM 314 CA GLU 43 -14.535 -1.175 -9.433 1.00 0.00 ATOM 315 CB GLU 43 -14.164 0.301 -9.624 1.00 0.00 ATOM 316 CG GLU 43 -14.325 0.782 -11.058 1.00 0.00 ATOM 317 CD GLU 43 -14.057 2.264 -11.217 1.00 0.00 ATOM 318 OE1 GLU 43 -15.023 3.029 -11.427 1.00 0.00 ATOM 319 OE2 GLU 43 -12.883 2.673 -11.139 1.00 0.00 ATOM 320 O GLU 43 -14.153 -2.655 -11.286 1.00 0.00 ATOM 321 C GLU 43 -13.670 -2.052 -10.329 1.00 0.00 ATOM 322 N ILE 44 -12.391 -2.151 -9.984 1.00 0.00 ATOM 323 CA ILE 44 -11.434 -2.924 -10.766 1.00 0.00 ATOM 324 CB ILE 44 -10.038 -2.260 -10.729 1.00 0.00 ATOM 325 CG1 ILE 44 -10.178 -0.743 -10.894 1.00 0.00 ATOM 326 CG2 ILE 44 -9.146 -2.828 -11.828 1.00 0.00 ATOM 327 CD1 ILE 44 -8.870 0.008 -10.780 1.00 0.00 ATOM 328 O ILE 44 -10.276 -4.932 -10.081 1.00 0.00 ATOM 329 C ILE 44 -11.352 -4.356 -10.233 1.00 0.00 ATOM 330 N LYS 45 -12.517 -4.927 -9.964 1.00 0.00 ATOM 331 CA LYS 45 -12.614 -6.288 -9.456 1.00 0.00 ATOM 332 CB LYS 45 -13.972 -6.485 -8.773 1.00 0.00 ATOM 333 CG LYS 45 -14.286 -7.924 -8.390 1.00 0.00 ATOM 334 CD LYS 45 -15.635 -8.020 -7.699 1.00 0.00 ATOM 335 CE LYS 45 -16.040 -9.463 -7.450 1.00 0.00 ATOM 336 NZ LYS 45 -17.345 -9.547 -6.746 1.00 0.00 ATOM 337 O LYS 45 -13.084 -7.182 -11.631 1.00 0.00 ATOM 338 C LYS 45 -12.437 -7.293 -10.590 1.00 0.00 ATOM 339 N GLY 46 -11.557 -8.263 -10.387 1.00 0.00 ATOM 340 CA GLY 46 -11.325 -9.277 -11.400 1.00 0.00 ATOM 341 O GLY 46 -9.462 -10.256 -12.527 1.00 0.00 ATOM 342 C GLY 46 -9.896 -9.284 -11.908 1.00 0.00 ATOM 343 N GLU 47 -9.162 -8.209 -11.650 1.00 0.00 ATOM 344 CA GLU 47 -7.777 -8.114 -12.100 1.00 0.00 ATOM 345 CB GLU 47 -7.426 -6.683 -12.501 1.00 0.00 ATOM 346 CG GLU 47 -7.910 -6.306 -13.886 1.00 0.00 ATOM 347 CD GLU 47 -7.259 -5.037 -14.386 1.00 0.00 ATOM 348 OE1 GLU 47 -7.984 -4.101 -14.771 1.00 0.00 ATOM 349 OE2 GLU 47 -6.008 -4.969 -14.386 1.00 0.00 ATOM 350 O GLU 47 -7.176 -8.872 -9.898 1.00 0.00 ATOM 351 C GLU 47 -6.799 -8.598 -11.039 1.00 0.00 ATOM 352 N SER 48 -5.538 -8.704 -11.434 1.00 0.00 ATOM 353 CA SER 48 -4.481 -9.131 -10.538 1.00 0.00 ATOM 354 CB SER 48 -3.627 -10.198 -11.227 1.00 0.00 ATOM 355 OG SER 48 -3.244 -9.783 -12.529 1.00 0.00 ATOM 356 O SER 48 -3.482 -6.966 -10.874 1.00 0.00 ATOM 357 C SER 48 -3.617 -7.942 -10.128 1.00 0.00 ATOM 358 N VAL 49 -3.041 -8.024 -8.939 1.00 0.00 ATOM 359 CA VAL 49 -2.163 -6.975 -8.429 1.00 0.00 ATOM 360 CB VAL 49 -2.483 -6.640 -6.956 1.00 0.00 ATOM 361 CG1 VAL 49 -3.864 -6.017 -6.839 1.00 0.00 ATOM 362 CG2 VAL 49 -2.388 -7.888 -6.087 1.00 0.00 ATOM 363 O VAL 49 0.186 -6.789 -7.941 1.00 0.00 ATOM 364 C VAL 49 -0.697 -7.388 -8.552 1.00 0.00 ATOM 365 N ALA 50 -0.453 -8.379 -9.398 1.00 0.00 ATOM 366 CA ALA 50 0.852 -8.997 -9.524 1.00 0.00 ATOM 367 CB ALA 50 0.726 -10.347 -10.211 1.00 0.00 ATOM 368 O ALA 50 1.837 -8.061 -11.506 1.00 0.00 ATOM 369 C ALA 50 1.827 -8.106 -10.275 1.00 0.00 ATOM 370 N GLY 51 2.604 -7.364 -9.517 1.00 0.00 ATOM 371 CA GLY 51 3.716 -6.629 -10.086 1.00 0.00 ATOM 372 O GLY 51 4.054 -4.585 -11.270 1.00 0.00 ATOM 373 C GLY 51 3.372 -5.202 -10.449 1.00 0.00 ATOM 374 N ARG 52 2.322 -4.670 -9.848 1.00 0.00 ATOM 375 CA ARG 52 1.942 -3.290 -10.083 1.00 0.00 ATOM 376 CB ARG 52 0.610 -3.225 -10.840 1.00 0.00 ATOM 377 CG ARG 52 -0.566 -3.855 -10.115 1.00 0.00 ATOM 378 CD ARG 52 -1.578 -4.448 -11.092 1.00 0.00 ATOM 379 NE ARG 52 -1.999 -3.504 -12.131 1.00 0.00 ATOM 380 CZ ARG 52 -3.084 -3.674 -12.900 1.00 0.00 ATOM 381 NH1 ARG 52 -3.875 -4.731 -12.723 1.00 0.00 ATOM 382 NH2 ARG 52 -3.371 -2.797 -13.856 1.00 0.00 ATOM 383 O ARG 52 2.081 -3.128 -7.692 1.00 0.00 ATOM 384 C ARG 52 1.890 -2.533 -8.758 1.00 0.00 ATOM 385 N ILE 53 1.656 -1.236 -8.825 1.00 0.00 ATOM 386 CA ILE 53 1.697 -0.386 -7.641 1.00 0.00 ATOM 387 CB ILE 53 2.387 0.969 -7.942 1.00 0.00 ATOM 388 CG1 ILE 53 3.819 0.747 -8.448 1.00 0.00 ATOM 389 CG2 ILE 53 2.391 1.863 -6.709 1.00 0.00 ATOM 390 CD1 ILE 53 4.711 0.010 -7.472 1.00 0.00 ATOM 391 O ILE 53 -0.597 0.231 -7.894 1.00 0.00 ATOM 392 C ILE 53 0.286 -0.140 -7.129 1.00 0.00 ATOM 393 N LEU 54 0.068 -0.360 -5.843 1.00 0.00 ATOM 394 CA LEU 54 -1.264 -0.225 -5.271 1.00 0.00 ATOM 395 CB LEU 54 -1.646 -1.499 -4.510 1.00 0.00 ATOM 396 CG LEU 54 -2.482 -2.515 -5.299 1.00 0.00 ATOM 397 CD1 LEU 54 -3.858 -1.945 -5.607 1.00 0.00 ATOM 398 CD2 LEU 54 -1.778 -2.920 -6.584 1.00 0.00 ATOM 399 O LEU 54 -0.505 1.196 -3.485 1.00 0.00 ATOM 400 C LEU 54 -1.354 0.990 -4.356 1.00 0.00 ATOM 401 N VAL 55 -2.384 1.796 -4.567 1.00 0.00 ATOM 402 CA VAL 55 -2.596 2.993 -3.770 1.00 0.00 ATOM 403 CB VAL 55 -2.598 4.261 -4.651 1.00 0.00 ATOM 404 CG1 VAL 55 -2.766 5.515 -3.804 1.00 0.00 ATOM 405 CG2 VAL 55 -1.326 4.343 -5.481 1.00 0.00 ATOM 406 O VAL 55 -4.973 2.669 -3.601 1.00 0.00 ATOM 407 C VAL 55 -3.916 2.906 -3.008 1.00 0.00 ATOM 408 N PHE 56 -3.843 3.085 -1.695 1.00 0.00 ATOM 409 CA PHE 56 -5.025 3.053 -0.836 1.00 0.00 ATOM 410 CB PHE 56 -5.036 1.799 0.061 1.00 0.00 ATOM 411 CG PHE 56 -4.825 0.486 -0.640 1.00 0.00 ATOM 412 CD1 PHE 56 -5.898 -0.339 -0.920 1.00 0.00 ATOM 413 CD2 PHE 56 -3.553 0.066 -0.990 1.00 0.00 ATOM 414 CE1 PHE 56 -5.708 -1.559 -1.540 1.00 0.00 ATOM 415 CE2 PHE 56 -3.357 -1.150 -1.614 1.00 0.00 ATOM 416 CZ PHE 56 -4.437 -1.964 -1.888 1.00 0.00 ATOM 417 O PHE 56 -3.949 4.687 0.539 1.00 0.00 ATOM 418 C PHE 56 -5.014 4.266 0.084 1.00 0.00 ATOM 419 N PRO 57 -6.184 4.842 0.382 1.00 0.00 ATOM 420 CA PRO 57 -6.293 5.885 1.399 1.00 0.00 ATOM 421 CB PRO 57 -7.696 6.455 1.185 1.00 0.00 ATOM 422 CG PRO 57 -8.468 5.350 0.548 1.00 0.00 ATOM 423 CD PRO 57 -7.483 4.542 -0.254 1.00 0.00 ATOM 424 O PRO 57 -5.446 5.821 3.658 1.00 0.00 ATOM 425 C PRO 57 -6.152 5.287 2.799 1.00 0.00 ATOM 426 N GLY 58 -6.808 4.150 2.992 1.00 0.00 ATOM 427 CA GLY 58 -6.771 3.441 4.249 1.00 0.00 ATOM 428 O GLY 58 -8.046 1.810 3.070 1.00 0.00 ATOM 429 C GLY 58 -7.535 2.137 4.143 1.00 0.00 ATOM 430 N GLY 59 -7.624 1.400 5.237 1.00 0.00 ATOM 431 CA GLY 59 -8.336 0.139 5.222 1.00 0.00 ATOM 432 O GLY 59 -8.610 0.094 7.591 1.00 0.00 ATOM 433 C GLY 59 -9.134 -0.073 6.488 1.00 0.00 ATOM 434 N LYS 60 -10.401 -0.434 6.335 1.00 0.00 ATOM 435 CA LYS 60 -11.272 -0.654 7.479 1.00 0.00 ATOM 436 CB LYS 60 -12.745 -0.629 7.045 1.00 0.00 ATOM 437 CG LYS 60 -13.140 -1.749 6.089 1.00 0.00 ATOM 438 CD LYS 60 -14.517 -1.515 5.485 1.00 0.00 ATOM 439 CE LYS 60 -15.589 -1.340 6.549 1.00 0.00 ATOM 440 NZ LYS 60 -15.834 -2.586 7.323 1.00 0.00 ATOM 441 O LYS 60 -10.624 -2.969 7.508 1.00 0.00 ATOM 442 C LYS 60 -10.925 -1.971 8.167 1.00 0.00 ATOM 443 N GLY 61 -10.942 -1.956 9.491 1.00 0.00 ATOM 444 CA GLY 61 -10.595 -3.132 10.256 1.00 0.00 ATOM 445 O GLY 61 -8.559 -2.848 11.474 1.00 0.00 ATOM 446 C GLY 61 -9.099 -3.257 10.446 1.00 0.00 ATOM 447 N SER 62 -8.436 -3.804 9.435 1.00 0.00 ATOM 448 CA SER 62 -6.988 -4.007 9.458 1.00 0.00 ATOM 449 CB SER 62 -6.269 -2.653 9.504 1.00 0.00 ATOM 450 OG SER 62 -6.625 -1.856 8.380 1.00 0.00 ATOM 451 O SER 62 -5.458 -4.767 11.148 1.00 0.00 ATOM 452 C SER 62 -6.564 -4.887 10.631 1.00 0.00 ATOM 453 N THR 63 -7.443 -5.800 11.016 1.00 0.00 ATOM 454 CA THR 63 -7.176 -6.693 12.127 1.00 0.00 ATOM 455 CB THR 63 -8.484 -7.329 12.624 1.00 0.00 ATOM 456 CG2 THR 63 -8.309 -7.908 14.017 1.00 0.00 ATOM 457 OG1 THR 63 -9.521 -6.337 12.648 1.00 0.00 ATOM 458 O THR 63 -5.492 -8.357 12.569 1.00 0.00 ATOM 459 C THR 63 -6.183 -7.786 11.725 1.00 0.00 ATOM 460 N VAL 64 -6.102 -8.064 10.432 1.00 0.00 ATOM 461 CA VAL 64 -5.187 -9.071 9.927 1.00 0.00 ATOM 462 CB VAL 64 -5.854 -10.468 9.839 1.00 0.00 ATOM 463 CG1 VAL 64 -6.810 -10.554 8.660 1.00 0.00 ATOM 464 CG2 VAL 64 -4.808 -11.571 9.766 1.00 0.00 ATOM 465 O VAL 64 -5.261 -7.815 7.887 1.00 0.00 ATOM 466 C VAL 64 -4.657 -8.651 8.559 1.00 0.00 ATOM 467 N GLY 65 -3.514 -9.204 8.174 1.00 0.00 ATOM 468 CA GLY 65 -2.936 -8.891 6.884 1.00 0.00 ATOM 469 O GLY 65 -0.811 -9.098 5.807 1.00 0.00 ATOM 470 C GLY 65 -1.430 -9.052 6.870 1.00 0.00 ATOM 471 N SER 66 -0.842 -9.169 8.055 1.00 0.00 ATOM 472 CA SER 66 0.607 -9.271 8.187 1.00 0.00 ATOM 473 CB SER 66 0.998 -9.196 9.667 1.00 0.00 ATOM 474 OG SER 66 2.406 -9.193 9.837 1.00 0.00 ATOM 475 O SER 66 2.311 -10.647 7.200 1.00 0.00 ATOM 476 C SER 66 1.138 -10.565 7.562 1.00 0.00 ATOM 477 N TYR 67 0.275 -11.568 7.433 1.00 0.00 ATOM 478 CA TYR 67 0.691 -12.858 6.892 1.00 0.00 ATOM 479 CB TYR 67 0.004 -14.004 7.638 1.00 0.00 ATOM 480 CG TYR 67 0.397 -14.121 9.096 1.00 0.00 ATOM 481 CD1 TYR 67 -0.510 -13.826 10.108 1.00 0.00 ATOM 482 CD2 TYR 67 1.677 -14.527 9.462 1.00 0.00 ATOM 483 CE1 TYR 67 -0.155 -13.939 11.440 1.00 0.00 ATOM 484 CE2 TYR 67 2.038 -14.640 10.792 1.00 0.00 ATOM 485 CZ TYR 67 1.118 -14.344 11.775 1.00 0.00 ATOM 486 OH TYR 67 1.470 -14.457 13.100 1.00 0.00 ATOM 487 O TYR 67 1.149 -13.602 4.654 1.00 0.00 ATOM 488 C TYR 67 0.391 -12.974 5.397 1.00 0.00 ATOM 489 N VAL 68 -0.709 -12.366 4.954 1.00 0.00 ATOM 490 CA VAL 68 -1.163 -12.532 3.574 1.00 0.00 ATOM 491 CB VAL 68 -2.609 -12.017 3.366 1.00 0.00 ATOM 492 CG1 VAL 68 -3.584 -12.808 4.227 1.00 0.00 ATOM 493 CG2 VAL 68 -2.721 -10.528 3.663 1.00 0.00 ATOM 494 O VAL 68 -0.033 -12.329 1.469 1.00 0.00 ATOM 495 C VAL 68 -0.222 -11.847 2.585 1.00 0.00 ATOM 496 N LEU 69 0.388 -10.744 3.010 1.00 0.00 ATOM 497 CA LEU 69 1.314 -10.001 2.159 1.00 0.00 ATOM 498 CB LEU 69 1.797 -8.738 2.875 1.00 0.00 ATOM 499 CG LEU 69 0.706 -7.706 3.171 1.00 0.00 ATOM 500 CD1 LEU 69 1.276 -6.530 3.949 1.00 0.00 ATOM 501 CD2 LEU 69 0.063 -7.228 1.878 1.00 0.00 ATOM 502 O LEU 69 2.970 -10.822 0.622 1.00 0.00 ATOM 503 C LEU 69 2.505 -10.869 1.761 1.00 0.00 ATOM 504 N LEU 70 2.976 -11.676 2.702 1.00 0.00 ATOM 505 CA LEU 70 4.110 -12.556 2.457 1.00 0.00 ATOM 506 CB LEU 70 4.643 -13.108 3.781 1.00 0.00 ATOM 507 CG LEU 70 5.878 -14.005 3.666 1.00 0.00 ATOM 508 CD1 LEU 70 7.057 -13.228 3.098 1.00 0.00 ATOM 509 CD2 LEU 70 6.231 -14.601 5.020 1.00 0.00 ATOM 510 O LEU 70 4.454 -14.075 0.625 1.00 0.00 ATOM 511 C LEU 70 3.708 -13.705 1.532 1.00 0.00 ATOM 512 N ASN 71 2.516 -14.254 1.758 1.00 0.00 ATOM 513 CA ASN 71 2.019 -15.377 0.959 1.00 0.00 ATOM 514 CB ASN 71 0.684 -15.882 1.507 1.00 0.00 ATOM 515 CG ASN 71 0.243 -17.179 0.853 1.00 0.00 ATOM 516 ND2 ASN 71 -0.502 -17.078 -0.234 1.00 0.00 ATOM 517 OD1 ASN 71 0.580 -18.266 1.321 1.00 0.00 ATOM 518 O ASN 71 2.252 -15.707 -1.411 1.00 0.00 ATOM 519 C ASN 71 1.860 -14.971 -0.501 1.00 0.00 ATOM 520 N LEU 72 1.295 -13.793 -0.717 1.00 0.00 ATOM 521 CA LEU 72 1.118 -13.263 -2.064 1.00 0.00 ATOM 522 CB LEU 72 0.347 -11.939 -2.018 1.00 0.00 ATOM 523 CG LEU 72 -1.078 -12.019 -1.465 1.00 0.00 ATOM 524 CD1 LEU 72 -1.673 -10.626 -1.327 1.00 0.00 ATOM 525 CD2 LEU 72 -1.949 -12.878 -2.365 1.00 0.00 ATOM 526 O LEU 72 2.645 -13.326 -3.928 1.00 0.00 ATOM 527 C LEU 72 2.470 -13.046 -2.738 1.00 0.00 ATOM 528 N ARG 73 3.431 -12.563 -1.962 1.00 0.00 ATOM 529 CA ARG 73 4.741 -12.212 -2.489 1.00 0.00 ATOM 530 CB ARG 73 5.543 -11.468 -1.430 1.00 0.00 ATOM 531 CG ARG 73 6.772 -10.764 -1.973 1.00 0.00 ATOM 532 CD ARG 73 6.402 -9.661 -2.956 1.00 0.00 ATOM 533 NE ARG 73 7.510 -8.729 -3.159 1.00 0.00 ATOM 534 CZ ARG 73 7.895 -8.258 -4.346 1.00 0.00 ATOM 535 NH1 ARG 73 7.252 -8.618 -5.454 1.00 0.00 ATOM 536 NH2 ARG 73 8.919 -7.416 -4.421 1.00 0.00 ATOM 537 O ARG 73 6.140 -13.434 -3.999 1.00 0.00 ATOM 538 C ARG 73 5.505 -13.449 -2.947 1.00 0.00 ATOM 539 N LYS 74 5.431 -14.526 -2.168 1.00 0.00 ATOM 540 CA LYS 74 6.136 -15.759 -2.514 1.00 0.00 ATOM 541 CB LYS 74 6.273 -16.675 -1.290 1.00 0.00 ATOM 542 CG LYS 74 4.950 -17.152 -0.713 1.00 0.00 ATOM 543 CD LYS 74 5.123 -17.847 0.635 1.00 0.00 ATOM 544 CE LYS 74 5.676 -19.266 0.509 1.00 0.00 ATOM 545 NZ LYS 74 7.096 -19.301 0.061 1.00 0.00 ATOM 546 O LYS 74 5.966 -17.445 -4.223 1.00 0.00 ATOM 547 C LYS 74 5.436 -16.483 -3.664 1.00 0.00 ATOM 548 N ASN 75 4.241 -16.021 -4.009 1.00 0.00 ATOM 549 CA ASN 75 3.536 -16.517 -5.179 1.00 0.00 ATOM 550 CB ASN 75 2.035 -16.598 -4.911 1.00 0.00 ATOM 551 CG ASN 75 1.619 -17.919 -4.299 1.00 0.00 ATOM 552 ND2 ASN 75 1.587 -17.977 -2.978 1.00 0.00 ATOM 553 OD1 ASN 75 1.331 -18.882 -5.012 1.00 0.00 ATOM 554 O ASN 75 3.560 -16.000 -7.523 1.00 0.00 ATOM 555 C ASN 75 3.802 -15.619 -6.379 1.00 0.00 ATOM 556 N GLY 76 4.299 -14.421 -6.102 1.00 0.00 ATOM 557 CA GLY 76 4.612 -13.480 -7.157 1.00 0.00 ATOM 558 O GLY 76 3.428 -12.026 -8.636 1.00 0.00 ATOM 559 C GLY 76 3.391 -12.721 -7.622 1.00 0.00 ATOM 560 N VAL 77 2.312 -12.841 -6.863 1.00 0.00 ATOM 561 CA VAL 77 1.049 -12.213 -7.221 1.00 0.00 ATOM 562 CB VAL 77 -0.119 -13.214 -7.128 1.00 0.00 ATOM 563 CG1 VAL 77 0.064 -14.332 -8.140 1.00 0.00 ATOM 564 CG2 VAL 77 -0.239 -13.780 -5.721 1.00 0.00 ATOM 565 O VAL 77 -0.348 -10.487 -6.303 1.00 0.00 ATOM 566 C VAL 77 0.764 -11.010 -6.328 1.00 0.00 ATOM 567 N ALA 78 1.786 -10.573 -5.607 1.00 0.00 ATOM 568 CA ALA 78 1.659 -9.431 -4.716 1.00 0.00 ATOM 569 CB ALA 78 2.537 -9.619 -3.489 1.00 0.00 ATOM 570 O ALA 78 2.785 -8.168 -6.415 1.00 0.00 ATOM 571 C ALA 78 2.039 -8.143 -5.430 1.00 0.00 ATOM 572 N PRO 79 1.518 -7.004 -4.953 1.00 0.00 ATOM 573 CA PRO 79 1.904 -5.692 -5.462 1.00 0.00 ATOM 574 CB PRO 79 0.967 -4.725 -4.728 1.00 0.00 ATOM 575 CG PRO 79 0.549 -5.456 -3.501 1.00 0.00 ATOM 576 CD PRO 79 0.509 -6.907 -3.882 1.00 0.00 ATOM 577 O PRO 79 3.873 -5.810 -4.101 1.00 0.00 ATOM 578 C PRO 79 3.358 -5.380 -5.134 1.00 0.00 ATOM 579 N LYS 80 4.021 -4.647 -6.014 1.00 0.00 ATOM 580 CA LYS 80 5.414 -4.294 -5.801 1.00 0.00 ATOM 581 CB LYS 80 6.004 -3.660 -7.054 1.00 0.00 ATOM 582 CG LYS 80 6.300 -4.634 -8.180 1.00 0.00 ATOM 583 CD LYS 80 7.077 -3.944 -9.287 1.00 0.00 ATOM 584 CE LYS 80 7.460 -4.899 -10.403 1.00 0.00 ATOM 585 NZ LYS 80 8.265 -4.212 -11.448 1.00 0.00 ATOM 586 O LYS 80 6.477 -3.458 -3.816 1.00 0.00 ATOM 587 C LYS 80 5.564 -3.327 -4.629 1.00 0.00 ATOM 588 N ALA 81 4.667 -2.352 -4.557 1.00 0.00 ATOM 589 CA ALA 81 4.720 -1.340 -3.510 1.00 0.00 ATOM 590 CB ALA 81 5.642 -0.201 -3.916 1.00 0.00 ATOM 591 O ALA 81 2.422 -0.890 -4.035 1.00 0.00 ATOM 592 C ALA 81 3.328 -0.812 -3.199 1.00 0.00 ATOM 593 N ILE 82 3.165 -0.280 -1.996 1.00 0.00 ATOM 594 CA ILE 82 1.873 0.208 -1.541 1.00 0.00 ATOM 595 CB ILE 82 1.247 -0.762 -0.511 1.00 0.00 ATOM 596 CG1 ILE 82 1.111 -2.164 -1.111 1.00 0.00 ATOM 597 CG2 ILE 82 -0.110 -0.248 -0.043 1.00 0.00 ATOM 598 CD1 ILE 82 0.692 -3.213 -0.108 1.00 0.00 ATOM 599 O ILE 82 2.871 1.803 -0.050 1.00 0.00 ATOM 600 C ILE 82 2.018 1.592 -0.914 1.00 0.00 ATOM 601 N ILE 83 1.202 2.539 -1.366 1.00 0.00 ATOM 602 CA ILE 83 1.226 3.891 -0.816 1.00 0.00 ATOM 603 CB ILE 83 1.399 4.976 -1.912 1.00 0.00 ATOM 604 CG1 ILE 83 2.205 4.440 -3.105 1.00 0.00 ATOM 605 CG2 ILE 83 2.087 6.214 -1.333 1.00 0.00 ATOM 606 CD1 ILE 83 3.632 4.070 -2.770 1.00 0.00 ATOM 607 O ILE 83 -1.166 3.926 -0.600 1.00 0.00 ATOM 608 C ILE 83 -0.075 4.154 -0.065 1.00 0.00 ATOM 609 N ASN 84 0.035 4.610 1.175 1.00 0.00 ATOM 610 CA ASN 84 -1.141 4.857 2.005 1.00 0.00 ATOM 611 CB ASN 84 -1.202 3.872 3.182 1.00 0.00 ATOM 612 CG ASN 84 -1.382 2.424 2.762 1.00 0.00 ATOM 613 ND2 ASN 84 -2.069 2.201 1.653 1.00 0.00 ATOM 614 OD1 ASN 84 -0.911 1.511 3.440 1.00 0.00 ATOM 615 O ASN 84 -0.083 6.915 2.602 1.00 0.00 ATOM 616 C ASN 84 -1.130 6.276 2.552 1.00 0.00 ATOM 617 N LYS 85 -2.297 6.759 2.953 1.00 0.00 ATOM 618 CA LYS 85 -2.400 8.049 3.626 1.00 0.00 ATOM 619 CB LYS 85 -3.710 8.757 3.242 1.00 0.00 ATOM 620 CG LYS 85 -3.648 10.279 3.339 1.00 0.00 ATOM 621 CD LYS 85 -3.642 10.772 4.776 1.00 0.00 ATOM 622 CE LYS 85 -3.346 12.261 4.847 1.00 0.00 ATOM 623 NZ LYS 85 -4.347 13.069 4.105 1.00 0.00 ATOM 624 O LYS 85 -1.775 8.606 5.886 1.00 0.00 ATOM 625 C LYS 85 -2.338 7.813 5.129 1.00 0.00 ATOM 626 N LYS 86 -2.926 6.703 5.545 1.00 0.00 ATOM 627 CA LYS 86 -2.858 6.256 6.924 1.00 0.00 ATOM 628 CB LYS 86 -4.099 6.714 7.695 1.00 0.00 ATOM 629 CG LYS 86 -4.041 6.421 9.185 1.00 0.00 ATOM 630 CD LYS 86 -5.317 6.852 9.885 1.00 0.00 ATOM 631 CE LYS 86 -5.244 6.600 11.382 1.00 0.00 ATOM 632 NZ LYS 86 -6.505 6.984 12.063 1.00 0.00 ATOM 633 O LYS 86 -3.728 4.030 6.722 1.00 0.00 ATOM 634 C LYS 86 -2.745 4.738 6.943 1.00 0.00 ATOM 635 N THR 87 -1.541 4.246 7.167 1.00 0.00 ATOM 636 CA THR 87 -1.285 2.820 7.096 1.00 0.00 ATOM 637 CB THR 87 0.092 2.531 6.452 1.00 0.00 ATOM 638 CG2 THR 87 1.235 2.869 7.401 1.00 0.00 ATOM 639 OG1 THR 87 0.178 1.152 6.069 1.00 0.00 ATOM 640 O THR 87 -1.629 2.865 9.482 1.00 0.00 ATOM 641 C THR 87 -1.368 2.184 8.483 1.00 0.00 ATOM 642 N GLU 88 -1.149 0.880 8.542 1.00 0.00 ATOM 643 CA GLU 88 -1.251 0.145 9.788 1.00 0.00 ATOM 644 CB GLU 88 -2.405 -0.862 9.718 1.00 0.00 ATOM 645 CG GLU 88 -3.241 -0.934 10.989 1.00 0.00 ATOM 646 CD GLU 88 -2.395 -1.093 12.231 1.00 0.00 ATOM 647 OE1 GLU 88 -2.143 -0.078 12.915 1.00 0.00 ATOM 648 OE2 GLU 88 -1.928 -2.219 12.497 1.00 0.00 ATOM 649 O GLU 88 0.787 -0.960 9.153 1.00 0.00 ATOM 650 C GLU 88 0.062 -0.580 10.074 1.00 0.00 ATOM 651 N THR 89 0.355 -0.771 11.353 1.00 0.00 ATOM 652 CA THR 89 1.576 -1.436 11.777 1.00 0.00 ATOM 653 CB THR 89 1.704 -1.409 13.311 1.00 0.00 ATOM 654 CG2 THR 89 3.095 -1.846 13.752 1.00 0.00 ATOM 655 OG1 THR 89 1.449 -0.082 13.791 1.00 0.00 ATOM 656 O THR 89 2.680 -3.369 10.882 1.00 0.00 ATOM 657 C THR 89 1.622 -2.880 11.281 1.00 0.00 ATOM 658 N ILE 90 0.475 -3.557 11.279 1.00 0.00 ATOM 659 CA ILE 90 0.414 -4.934 10.798 1.00 0.00 ATOM 660 CB ILE 90 -0.968 -5.587 11.065 1.00 0.00 ATOM 661 CG1 ILE 90 -2.114 -4.780 10.443 1.00 0.00 ATOM 662 CG2 ILE 90 -1.196 -5.755 12.556 1.00 0.00 ATOM 663 CD1 ILE 90 -2.530 -5.263 9.069 1.00 0.00 ATOM 664 O ILE 90 1.299 -6.014 8.836 1.00 0.00 ATOM 665 C ILE 90 0.756 -5.013 9.309 1.00 0.00 ATOM 666 N ILE 91 0.454 -3.941 8.584 1.00 0.00 ATOM 667 CA ILE 91 0.782 -3.856 7.169 1.00 0.00 ATOM 668 CB ILE 91 0.048 -2.677 6.487 1.00 0.00 ATOM 669 CG1 ILE 91 -1.467 -2.828 6.648 1.00 0.00 ATOM 670 CG2 ILE 91 0.424 -2.596 5.013 1.00 0.00 ATOM 671 CD1 ILE 91 -2.257 -1.672 6.074 1.00 0.00 ATOM 672 O ILE 91 2.915 -4.322 6.164 1.00 0.00 ATOM 673 C ILE 91 2.287 -3.683 7.008 1.00 0.00 ATOM 674 N ALA 92 2.855 -2.832 7.855 1.00 0.00 ATOM 675 CA ALA 92 4.283 -2.547 7.827 1.00 0.00 ATOM 676 CB ALA 92 4.625 -1.503 8.878 1.00 0.00 ATOM 677 O ALA 92 6.102 -4.040 7.368 1.00 0.00 ATOM 678 C ALA 92 5.103 -3.811 8.050 1.00 0.00 ATOM 679 N VAL 93 4.672 -4.630 9.004 1.00 0.00 ATOM 680 CA VAL 93 5.358 -5.882 9.308 1.00 0.00 ATOM 681 CB VAL 93 4.732 -6.593 10.531 1.00 0.00 ATOM 682 CG1 VAL 93 5.489 -7.870 10.859 1.00 0.00 ATOM 683 CG2 VAL 93 4.700 -5.668 11.740 1.00 0.00 ATOM 684 O VAL 93 6.353 -7.382 7.716 1.00 0.00 ATOM 685 C VAL 93 5.325 -6.824 8.108 1.00 0.00 ATOM 686 N GLY 94 4.144 -6.986 7.520 1.00 0.00 ATOM 687 CA GLY 94 4.005 -7.838 6.356 1.00 0.00 ATOM 688 O GLY 94 5.495 -8.125 4.503 1.00 0.00 ATOM 689 C GLY 94 4.824 -7.342 5.180 1.00 0.00 ATOM 690 N ALA 95 4.785 -6.035 4.950 1.00 0.00 ATOM 691 CA ALA 95 5.511 -5.416 3.849 1.00 0.00 ATOM 692 CB ALA 95 5.113 -3.954 3.720 1.00 0.00 ATOM 693 O ALA 95 7.771 -5.630 3.069 1.00 0.00 ATOM 694 C ALA 95 7.021 -5.542 4.038 1.00 0.00 ATOM 695 N ALA 96 7.461 -5.555 5.290 1.00 0.00 ATOM 696 CA ALA 96 8.882 -5.667 5.597 1.00 0.00 ATOM 697 CB ALA 96 9.135 -5.343 7.061 1.00 0.00 ATOM 698 O ALA 96 10.549 -7.210 4.829 1.00 0.00 ATOM 699 C ALA 96 9.410 -7.055 5.266 1.00 0.00 ATOM 700 N MET 97 8.573 -8.062 5.470 1.00 0.00 ATOM 701 CA MET 97 8.967 -9.444 5.226 1.00 0.00 ATOM 702 CB MET 97 8.104 -10.400 6.050 1.00 0.00 ATOM 703 CG MET 97 8.297 -10.265 7.554 1.00 0.00 ATOM 704 SD MET 97 7.287 -11.425 8.497 1.00 0.00 ATOM 705 CE MET 97 5.639 -10.911 8.019 1.00 0.00 ATOM 706 O MET 97 9.634 -10.589 3.227 1.00 0.00 ATOM 707 C MET 97 8.853 -9.795 3.748 1.00 0.00 ATOM 708 N ALA 98 7.872 -9.206 3.080 1.00 0.00 ATOM 709 CA ALA 98 7.623 -9.491 1.673 1.00 0.00 ATOM 710 CB ALA 98 6.134 -9.388 1.386 1.00 0.00 ATOM 711 O ALA 98 8.309 -8.660 -0.468 1.00 0.00 ATOM 712 C ALA 98 8.406 -8.554 0.751 1.00 0.00 ATOM 713 N GLU 99 9.184 -7.651 1.339 1.00 0.00 ATOM 714 CA GLU 99 9.923 -6.642 0.575 1.00 0.00 ATOM 715 CB GLU 99 11.044 -7.285 -0.254 1.00 0.00 ATOM 716 CG GLU 99 11.949 -6.279 -0.952 1.00 0.00 ATOM 717 CD GLU 99 13.096 -6.938 -1.686 1.00 0.00 ATOM 718 OE1 GLU 99 14.212 -6.985 -1.130 1.00 0.00 ATOM 719 OE2 GLU 99 12.892 -7.416 -2.820 1.00 0.00 ATOM 720 O GLU 99 9.038 -5.876 -1.547 1.00 0.00 ATOM 721 C GLU 99 8.961 -5.846 -0.315 1.00 0.00 ATOM 722 N ILE 100 8.031 -5.171 0.339 1.00 0.00 ATOM 723 CA ILE 100 7.040 -4.338 -0.330 1.00 0.00 ATOM 724 CB ILE 100 5.602 -4.887 -0.156 1.00 0.00 ATOM 725 CG1 ILE 100 5.498 -6.307 -0.725 1.00 0.00 ATOM 726 CG2 ILE 100 4.592 -3.970 -0.836 1.00 0.00 ATOM 727 CD1 ILE 100 4.135 -6.941 -0.543 1.00 0.00 ATOM 728 O ILE 100 6.517 -2.601 1.235 1.00 0.00 ATOM 729 C ILE 100 7.117 -2.912 0.206 1.00 0.00 ATOM 730 N PRO 101 7.952 -2.065 -0.429 1.00 0.00 ATOM 731 CA PRO 101 8.139 -0.664 -0.040 1.00 0.00 ATOM 732 CB PRO 101 8.729 -0.008 -1.302 1.00 0.00 ATOM 733 CG PRO 101 8.862 -1.094 -2.327 1.00 0.00 ATOM 734 CD PRO 101 8.774 -2.400 -1.591 1.00 0.00 ATOM 735 O PRO 101 5.960 0.275 -0.474 1.00 0.00 ATOM 736 C PRO 101 6.831 0.022 0.362 1.00 0.00 ATOM 737 N LEU 102 6.705 0.302 1.651 1.00 0.00 ATOM 738 CA LEU 102 5.503 0.902 2.203 1.00 0.00 ATOM 739 CB LEU 102 5.020 0.064 3.398 1.00 0.00 ATOM 740 CG LEU 102 3.536 0.191 3.783 1.00 0.00 ATOM 741 CD1 LEU 102 3.198 1.588 4.279 1.00 0.00 ATOM 742 CD2 LEU 102 2.647 -0.180 2.609 1.00 0.00 ATOM 743 O LEU 102 6.674 2.559 3.490 1.00 0.00 ATOM 744 C LEU 102 5.806 2.329 2.639 1.00 0.00 ATOM 745 N VAL 103 5.102 3.282 2.052 1.00 0.00 ATOM 746 CA VAL 103 5.275 4.679 2.408 1.00 0.00 ATOM 747 CB VAL 103 6.028 5.475 1.315 1.00 0.00 ATOM 748 CG1 VAL 103 7.469 5.000 1.187 1.00 0.00 ATOM 749 CG2 VAL 103 5.319 5.372 -0.023 1.00 0.00 ATOM 750 O VAL 103 2.920 5.011 2.047 1.00 0.00 ATOM 751 C VAL 103 3.925 5.335 2.683 1.00 0.00 ATOM 752 N GLU 104 3.911 6.241 3.645 1.00 0.00 ATOM 753 CA GLU 104 2.693 6.929 4.030 1.00 0.00 ATOM 754 CB GLU 104 2.490 6.806 5.542 1.00 0.00 ATOM 755 CG GLU 104 1.148 7.313 6.028 1.00 0.00 ATOM 756 CD GLU 104 0.941 7.052 7.501 1.00 0.00 ATOM 757 OE1 GLU 104 0.393 5.990 7.852 1.00 0.00 ATOM 758 OE2 GLU 104 1.337 7.907 8.324 1.00 0.00 ATOM 759 O GLU 104 3.687 9.116 3.981 1.00 0.00 ATOM 760 C GLU 104 2.764 8.394 3.607 1.00 0.00 ATOM 761 N VAL 105 1.797 8.819 2.815 1.00 0.00 ATOM 762 CA VAL 105 1.774 10.175 2.289 1.00 0.00 ATOM 763 CB VAL 105 1.362 10.183 0.797 1.00 0.00 ATOM 764 CG1 VAL 105 0.005 9.534 0.600 1.00 0.00 ATOM 765 CG2 VAL 105 1.376 11.594 0.229 1.00 0.00 ATOM 766 O VAL 105 -0.277 10.670 3.454 1.00 0.00 ATOM 767 C VAL 105 0.840 11.061 3.118 1.00 0.00 ATOM 768 N ARG 106 1.310 12.256 3.450 1.00 0.00 ATOM 769 CA ARG 106 0.576 13.151 4.338 1.00 0.00 ATOM 770 CB ARG 106 1.574 13.940 5.201 1.00 0.00 ATOM 771 CG ARG 106 1.116 14.203 6.632 1.00 0.00 ATOM 772 CD ARG 106 0.069 15.302 6.719 1.00 0.00 ATOM 773 NE ARG 106 -0.330 15.553 8.102 1.00 0.00 ATOM 774 CZ ARG 106 -0.944 16.662 8.524 1.00 0.00 ATOM 775 NH1 ARG 106 -1.256 17.628 7.669 1.00 0.00 ATOM 776 NH2 ARG 106 -1.244 16.799 9.807 1.00 0.00 ATOM 777 O ARG 106 -1.216 14.740 4.086 1.00 0.00 ATOM 778 C ARG 106 -0.312 14.108 3.538 1.00 0.00 ATOM 779 N ASP 107 -0.073 14.206 2.239 1.00 0.00 ATOM 780 CA ASP 107 -0.803 15.166 1.422 1.00 0.00 ATOM 781 CB ASP 107 0.159 16.030 0.617 1.00 0.00 ATOM 782 CG ASP 107 -0.480 17.340 0.219 1.00 0.00 ATOM 783 OD1 ASP 107 -1.258 17.364 -0.757 1.00 0.00 ATOM 784 OD2 ASP 107 -0.223 18.351 0.902 1.00 0.00 ATOM 785 O ASP 107 -1.457 13.445 -0.118 1.00 0.00 ATOM 786 C ASP 107 -1.780 14.467 0.490 1.00 0.00 ATOM 787 N GLU 108 -2.977 15.030 0.381 1.00 0.00 ATOM 788 CA GLU 108 -4.046 14.431 -0.410 1.00 0.00 ATOM 789 CB GLU 108 -5.389 15.078 -0.065 1.00 0.00 ATOM 790 CG GLU 108 -6.478 14.071 0.255 1.00 0.00 ATOM 791 CD GLU 108 -6.228 13.355 1.566 1.00 0.00 ATOM 792 OE1 GLU 108 -5.277 12.555 1.650 1.00 0.00 ATOM 793 OE2 GLU 108 -6.987 13.593 2.528 1.00 0.00 ATOM 794 O GLU 108 -4.367 13.833 -2.711 1.00 0.00 ATOM 795 C GLU 108 -3.787 14.565 -1.910 1.00 0.00 ATOM 796 N LYS 109 -2.913 15.500 -2.285 1.00 0.00 ATOM 797 CA LYS 109 -2.638 15.775 -3.690 1.00 0.00 ATOM 798 CB LYS 109 -1.627 16.909 -3.820 1.00 0.00 ATOM 799 CG LYS 109 -2.275 18.275 -3.931 1.00 0.00 ATOM 800 CD LYS 109 -3.128 18.367 -5.185 1.00 0.00 ATOM 801 CE LYS 109 -3.830 19.708 -5.302 1.00 0.00 ATOM 802 NZ LYS 109 -2.872 20.837 -5.424 1.00 0.00 ATOM 803 O LYS 109 -2.319 14.430 -5.645 1.00 0.00 ATOM 804 C LYS 109 -2.135 14.544 -4.433 1.00 0.00 ATOM 805 N PHE 110 -1.512 13.625 -3.712 1.00 0.00 ATOM 806 CA PHE 110 -1.029 12.397 -4.320 1.00 0.00 ATOM 807 CB PHE 110 -0.261 11.550 -3.301 1.00 0.00 ATOM 808 CG PHE 110 0.249 10.253 -3.866 1.00 0.00 ATOM 809 CD1 PHE 110 -0.316 9.045 -3.487 1.00 0.00 ATOM 810 CD2 PHE 110 1.286 10.243 -4.786 1.00 0.00 ATOM 811 CE1 PHE 110 0.145 7.856 -4.015 1.00 0.00 ATOM 812 CE2 PHE 110 1.751 9.055 -5.316 1.00 0.00 ATOM 813 CZ PHE 110 1.180 7.860 -4.929 1.00 0.00 ATOM 814 O PHE 110 -2.117 11.097 -6.014 1.00 0.00 ATOM 815 C PHE 110 -2.193 11.599 -4.897 1.00 0.00 ATOM 816 N PHE 111 -3.285 11.526 -4.144 1.00 0.00 ATOM 817 CA PHE 111 -4.443 10.724 -4.533 1.00 0.00 ATOM 818 CB PHE 111 -5.333 10.471 -3.317 1.00 0.00 ATOM 819 CG PHE 111 -4.606 9.781 -2.201 1.00 0.00 ATOM 820 CD1 PHE 111 -4.493 8.400 -2.177 1.00 0.00 ATOM 821 CD2 PHE 111 -4.023 10.515 -1.182 1.00 0.00 ATOM 822 CE1 PHE 111 -3.803 7.767 -1.161 1.00 0.00 ATOM 823 CE2 PHE 111 -3.339 9.889 -0.164 1.00 0.00 ATOM 824 CZ PHE 111 -3.227 8.513 -0.153 1.00 0.00 ATOM 825 O PHE 111 -5.944 10.744 -6.407 1.00 0.00 ATOM 826 C PHE 111 -5.235 11.401 -5.643 1.00 0.00 ATOM 827 N GLU 112 -5.116 12.716 -5.718 1.00 0.00 ATOM 828 CA GLU 112 -5.729 13.482 -6.788 1.00 0.00 ATOM 829 CB GLU 112 -5.759 14.959 -6.410 1.00 0.00 ATOM 830 CG GLU 112 -7.159 15.492 -6.171 1.00 0.00 ATOM 831 CD GLU 112 -8.004 15.480 -7.426 1.00 0.00 ATOM 832 OE1 GLU 112 -8.018 16.497 -8.149 1.00 0.00 ATOM 833 OE2 GLU 112 -8.666 14.458 -7.698 1.00 0.00 ATOM 834 O GLU 112 -5.536 13.275 -9.179 1.00 0.00 ATOM 835 C GLU 112 -4.957 13.292 -8.091 1.00 0.00 ATOM 836 N ALA 113 -3.647 13.128 -7.966 1.00 0.00 ATOM 837 CA ALA 113 -2.780 12.982 -9.126 1.00 0.00 ATOM 838 CB ALA 113 -1.377 13.470 -8.799 1.00 0.00 ATOM 839 O ALA 113 -2.756 11.291 -10.829 1.00 0.00 ATOM 840 C ALA 113 -2.737 11.539 -9.621 1.00 0.00 ATOM 841 N VAL 114 -2.679 10.590 -8.691 1.00 0.00 ATOM 842 CA VAL 114 -2.546 9.187 -9.055 1.00 0.00 ATOM 843 CB VAL 114 -1.945 8.333 -7.906 1.00 0.00 ATOM 844 CG1 VAL 114 -2.882 8.244 -6.710 1.00 0.00 ATOM 845 CG2 VAL 114 -1.588 6.943 -8.409 1.00 0.00 ATOM 846 O VAL 114 -4.896 8.676 -8.815 1.00 0.00 ATOM 847 C VAL 114 -3.881 8.601 -9.512 1.00 0.00 ATOM 848 N LYS 115 -3.872 8.048 -10.713 1.00 0.00 ATOM 849 CA LYS 115 -5.027 7.357 -11.259 1.00 0.00 ATOM 850 CB LYS 115 -5.703 8.201 -12.346 1.00 0.00 ATOM 851 CG LYS 115 -6.279 9.511 -11.827 1.00 0.00 ATOM 852 CD LYS 115 -7.401 9.266 -10.831 1.00 0.00 ATOM 853 CE LYS 115 -7.807 10.540 -10.105 1.00 0.00 ATOM 854 NZ LYS 115 -8.247 11.611 -11.039 1.00 0.00 ATOM 855 O LYS 115 -3.410 5.878 -12.203 1.00 0.00 ATOM 856 C LYS 115 -4.574 6.023 -11.824 1.00 0.00 ATOM 857 N THR 116 -5.475 5.052 -11.860 1.00 0.00 ATOM 858 CA THR 116 -5.136 3.726 -12.347 1.00 0.00 ATOM 859 CB THR 116 -6.325 2.754 -12.207 1.00 0.00 ATOM 860 CG2 THR 116 -5.938 1.352 -12.657 1.00 0.00 ATOM 861 OG1 THR 116 -6.762 2.713 -10.843 1.00 0.00 ATOM 862 O THR 116 -5.521 4.115 -14.685 1.00 0.00 ATOM 863 C THR 116 -4.713 3.775 -13.820 1.00 0.00 ATOM 864 N GLY 117 -3.454 3.454 -14.106 1.00 0.00 ATOM 865 CA GLY 117 -3.024 3.386 -15.490 1.00 0.00 ATOM 866 O GLY 117 -0.932 3.456 -16.631 1.00 0.00 ATOM 867 C GLY 117 -1.631 3.937 -15.742 1.00 0.00 ATOM 868 N ASP 118 -1.217 4.943 -14.980 1.00 0.00 ATOM 869 CA ASP 118 0.069 5.590 -15.240 1.00 0.00 ATOM 870 CB ASP 118 -0.018 7.093 -14.995 1.00 0.00 ATOM 871 CG ASP 118 0.713 7.863 -16.075 1.00 0.00 ATOM 872 OD1 ASP 118 0.042 8.365 -17.002 1.00 0.00 ATOM 873 OD2 ASP 118 1.957 7.943 -16.015 1.00 0.00 ATOM 874 O ASP 118 0.951 3.963 -13.720 1.00 0.00 ATOM 875 C ASP 118 1.175 4.970 -14.392 1.00 0.00 ATOM 876 N ARG 119 2.364 5.567 -14.408 1.00 0.00 ATOM 877 CA ARG 119 3.521 4.953 -13.771 1.00 0.00 ATOM 878 CB ARG 119 4.665 4.822 -14.777 1.00 0.00 ATOM 879 CG ARG 119 5.929 4.216 -14.189 1.00 0.00 ATOM 880 CD ARG 119 6.986 3.977 -15.255 1.00 0.00 ATOM 881 NE ARG 119 7.381 5.212 -15.933 1.00 0.00 ATOM 882 CZ ARG 119 8.149 5.245 -17.026 1.00 0.00 ATOM 883 NH1 ARG 119 8.553 4.112 -17.592 1.00 0.00 ATOM 884 NH2 ARG 119 8.500 6.410 -17.563 1.00 0.00 ATOM 885 O ARG 119 4.253 6.942 -12.628 1.00 0.00 ATOM 886 C ARG 119 3.984 5.742 -12.550 1.00 0.00 ATOM 887 N VAL 120 4.088 5.051 -11.424 1.00 0.00 ATOM 888 CA VAL 120 4.594 5.652 -10.200 1.00 0.00 ATOM 889 CB VAL 120 3.524 5.679 -9.082 1.00 0.00 ATOM 890 CG1 VAL 120 4.079 6.305 -7.811 1.00 0.00 ATOM 891 CG2 VAL 120 2.279 6.425 -9.541 1.00 0.00 ATOM 892 O VAL 120 5.746 3.683 -9.458 1.00 0.00 ATOM 893 C VAL 120 5.817 4.885 -9.713 1.00 0.00 ATOM 894 N VAL 121 6.941 5.578 -9.618 1.00 0.00 ATOM 895 CA VAL 121 8.164 4.983 -9.110 1.00 0.00 ATOM 896 CB VAL 121 9.419 5.607 -9.757 1.00 0.00 ATOM 897 CG1 VAL 121 10.684 4.938 -9.236 1.00 0.00 ATOM 898 CG2 VAL 121 9.346 5.506 -11.272 1.00 0.00 ATOM 899 O VAL 121 8.361 6.273 -7.095 1.00 0.00 ATOM 900 C VAL 121 8.231 5.155 -7.601 1.00 0.00 ATOM 901 N VAL 122 8.122 4.050 -6.886 1.00 0.00 ATOM 902 CA VAL 122 8.116 4.087 -5.437 1.00 0.00 ATOM 903 CB VAL 122 7.142 3.049 -4.849 1.00 0.00 ATOM 904 CG1 VAL 122 7.067 3.174 -3.333 1.00 0.00 ATOM 905 CG2 VAL 122 5.764 3.197 -5.474 1.00 0.00 ATOM 906 O VAL 122 10.022 2.715 -4.969 1.00 0.00 ATOM 907 C VAL 122 9.510 3.831 -4.891 1.00 0.00 ATOM 908 N ASN 123 10.123 4.865 -4.349 1.00 0.00 ATOM 909 CA ASN 123 11.447 4.745 -3.769 1.00 0.00 ATOM 910 CB ASN 123 12.385 5.805 -4.366 1.00 0.00 ATOM 911 CG ASN 123 13.832 5.646 -3.923 1.00 0.00 ATOM 912 ND2 ASN 123 14.762 5.917 -4.827 1.00 0.00 ATOM 913 OD1 ASN 123 14.114 5.278 -2.785 1.00 0.00 ATOM 914 O ASN 123 11.256 5.999 -1.734 1.00 0.00 ATOM 915 C ASN 123 11.350 4.889 -2.257 1.00 0.00 ATOM 916 N ALA 124 11.349 3.762 -1.560 1.00 0.00 ATOM 917 CA ALA 124 11.200 3.756 -0.111 1.00 0.00 ATOM 918 CB ALA 124 10.495 2.492 0.344 1.00 0.00 ATOM 919 O ALA 124 12.625 4.071 1.793 1.00 0.00 ATOM 920 C ALA 124 12.550 3.892 0.577 1.00 0.00 ATOM 921 N ASP 125 13.618 3.797 -0.208 1.00 0.00 ATOM 922 CA ASP 125 14.963 4.033 0.303 1.00 0.00 ATOM 923 CB ASP 125 16.021 3.768 -0.774 1.00 0.00 ATOM 924 CG ASP 125 15.937 2.380 -1.378 1.00 0.00 ATOM 925 OD1 ASP 125 16.413 1.418 -0.743 1.00 0.00 ATOM 926 OD2 ASP 125 15.428 2.250 -2.513 1.00 0.00 ATOM 927 O ASP 125 15.552 5.776 1.850 1.00 0.00 ATOM 928 C ASP 125 15.071 5.480 0.755 1.00 0.00 ATOM 929 N GLU 126 14.597 6.371 -0.104 1.00 0.00 ATOM 930 CA GLU 126 14.614 7.797 0.165 1.00 0.00 ATOM 931 CB GLU 126 14.835 8.563 -1.141 1.00 0.00 ATOM 932 CG GLU 126 16.091 8.146 -1.892 1.00 0.00 ATOM 933 CD GLU 126 17.366 8.571 -1.196 1.00 0.00 ATOM 934 OE1 GLU 126 17.888 7.801 -0.364 1.00 0.00 ATOM 935 OE2 GLU 126 17.864 9.675 -1.496 1.00 0.00 ATOM 936 O GLU 126 13.270 9.177 1.602 1.00 0.00 ATOM 937 C GLU 126 13.299 8.243 0.802 1.00 0.00 ATOM 938 N GLY 127 12.214 7.565 0.446 1.00 0.00 ATOM 939 CA GLY 127 10.899 7.967 0.911 1.00 0.00 ATOM 940 O GLY 127 9.888 10.039 0.267 1.00 0.00 ATOM 941 C GLY 127 10.243 8.911 -0.073 1.00 0.00 ATOM 942 N TYR 128 10.069 8.440 -1.297 1.00 0.00 ATOM 943 CA TYR 128 9.658 9.294 -2.395 1.00 0.00 ATOM 944 CB TYR 128 10.896 9.802 -3.140 1.00 0.00 ATOM 945 CG TYR 128 11.026 11.308 -3.178 1.00 0.00 ATOM 946 CD1 TYR 128 10.519 12.037 -4.244 1.00 0.00 ATOM 947 CD2 TYR 128 11.666 11.997 -2.155 1.00 0.00 ATOM 948 CE1 TYR 128 10.642 13.413 -4.289 1.00 0.00 ATOM 949 CE2 TYR 128 11.792 13.374 -2.191 1.00 0.00 ATOM 950 CZ TYR 128 11.280 14.075 -3.262 1.00 0.00 ATOM 951 OH TYR 128 11.398 15.447 -3.307 1.00 0.00 ATOM 952 O TYR 128 8.962 7.340 -3.596 1.00 0.00 ATOM 953 C TYR 128 8.764 8.533 -3.360 1.00 0.00 ATOM 954 N VAL 129 7.777 9.219 -3.905 1.00 0.00 ATOM 955 CA VAL 129 6.918 8.644 -4.926 1.00 0.00 ATOM 956 CB VAL 129 5.459 8.477 -4.438 1.00 0.00 ATOM 957 CG1 VAL 129 5.356 7.311 -3.466 1.00 0.00 ATOM 958 CG2 VAL 129 4.949 9.754 -3.782 1.00 0.00 ATOM 959 O VAL 129 6.421 10.605 -6.235 1.00 0.00 ATOM 960 C VAL 129 6.966 9.498 -6.188 1.00 0.00 ATOM 961 N GLU 130 7.646 8.991 -7.201 1.00 0.00 ATOM 962 CA GLU 130 7.865 9.741 -8.423 1.00 0.00 ATOM 963 CB GLU 130 9.275 9.474 -8.958 1.00 0.00 ATOM 964 CG GLU 130 10.374 9.712 -7.931 1.00 0.00 ATOM 965 CD GLU 130 11.759 9.433 -8.477 1.00 0.00 ATOM 966 OE1 GLU 130 12.538 10.393 -8.657 1.00 0.00 ATOM 967 OE2 GLU 130 12.084 8.255 -8.727 1.00 0.00 ATOM 968 O GLU 130 6.855 8.267 -10.020 1.00 0.00 ATOM 969 C GLU 130 6.830 9.370 -9.473 1.00 0.00 ATOM 970 N LEU 131 5.910 10.285 -9.740 1.00 0.00 ATOM 971 CA LEU 131 4.915 10.077 -10.778 1.00 0.00 ATOM 972 CB LEU 131 3.679 10.945 -10.530 1.00 0.00 ATOM 973 CG LEU 131 2.587 10.839 -11.599 1.00 0.00 ATOM 974 CD1 LEU 131 1.961 9.455 -11.595 1.00 0.00 ATOM 975 CD2 LEU 131 1.523 11.905 -11.385 1.00 0.00 ATOM 976 O LEU 131 5.793 11.573 -12.439 1.00 0.00 ATOM 977 C LEU 131 5.519 10.404 -12.133 1.00 0.00 ATOM 978 N ILE 132 5.732 9.380 -12.942 1.00 0.00 ATOM 979 CA ILE 132 6.366 9.560 -14.232 1.00 0.00 ATOM 980 CB ILE 132 7.592 8.653 -14.424 1.00 0.00 ATOM 981 CG1 ILE 132 8.510 8.696 -13.195 1.00 0.00 ATOM 982 CG2 ILE 132 8.362 9.065 -15.672 1.00 0.00 ATOM 983 CD1 ILE 132 9.112 10.060 -12.925 1.00 0.00 ATOM 984 O ILE 132 4.924 8.138 -15.495 1.00 0.00 ATOM 985 C ILE 132 5.366 9.273 -15.324 1.00 0.00 ATOM 986 N GLU 133 5.055 10.308 -16.068 1.00 0.00 ATOM 987 CA GLU 133 3.972 10.275 -17.031 1.00 0.00 ATOM 988 CB GLU 133 3.647 11.696 -17.475 1.00 0.00 ATOM 989 CG GLU 133 3.136 12.562 -16.335 1.00 0.00 ATOM 990 CD GLU 133 3.378 14.039 -16.555 1.00 0.00 ATOM 991 OE1 GLU 133 2.504 14.717 -17.131 1.00 0.00 ATOM 992 OE2 GLU 133 4.439 14.532 -16.124 1.00 0.00 ATOM 993 O GLU 133 5.109 9.762 -19.090 1.00 0.00 ATOM 994 C GLU 133 4.319 9.391 -18.216 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 T0357.undertaker-align.pdb looking for model 1 WARNING: atoms too close: (T0357)L72.C and (T0357)N75.C only 0 apart, marking (T0357)N75.C as missing WARNING: atoms too close: (T0357)R73.N and (T0357)G76.N only 0 apart, marking (T0357)R73.N as missing WARNING: atoms too close: (T0357)R73.CA and (T0357)G76.CA only 0 apart, marking (T0357)R73.CA as missing WARNING: atoms too close: (T0357)A78.C and (T0357)G94.C only 0 apart, marking (T0357)G94.C as missing WARNING: atoms too close: (T0357)P79.N and (T0357)A95.N only 0 apart, marking (T0357)P79.N as missing WARNING: atoms too close: (T0357)P79.CA and (T0357)A95.CA only 0 apart, marking (T0357)P79.CA as missing WARNING: atoms too close: (T0357)E108.C and (T0357)E112.C only 0 apart, marking (T0357)E112.C as missing WARNING: atoms too close: (T0357)K109.N and (T0357)A113.N only 0 apart, marking (T0357)K109.N as missing WARNING: atoms too close: (T0357)K109.CA and (T0357)A113.CA only 0 apart, marking (T0357)K109.CA as missing # WARNING: incomplete conformation T0357 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 = 0.462 # GDT_score = -28.030 # GDT_score(maxd=8.000,maxw=2.900)= -28.971 # GDT_score(maxd=8.000,maxw=3.200)= -27.258 # GDT_score(maxd=8.000,maxw=3.500)= -25.654 # GDT_score(maxd=10.000,maxw=3.800)= -27.193 # GDT_score(maxd=10.000,maxw=4.000)= -26.179 # GDT_score(maxd=10.000,maxw=4.200)= -25.221 # GDT_score(maxd=12.000,maxw=4.300)= -27.051 # GDT_score(maxd=12.000,maxw=4.500)= -26.118 # GDT_score(maxd=12.000,maxw=4.700)= -25.254 # GDT_score(maxd=14.000,maxw=5.200)= -25.002 # GDT_score(maxd=14.000,maxw=5.500)= -23.886 # command:# ReadConformPDB reading from PDB file T0357.undertaker-align.pdb looking for model 2 WARNING: atoms too close: (T0357)F56.C and (T0357)G58.C only 0 apart, marking (T0357)G58.C as missing WARNING: atoms too close: (T0357)P57.N and (T0357)G59.N only 0 apart, marking (T0357)P57.N as missing WARNING: atoms too close: (T0357)P57.CA and (T0357)G59.CA only 0 apart, marking (T0357)P57.CA as missing # WARNING: incomplete conformation T0357 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 = 0.409 # GDT_score = -22.159 # GDT_score(maxd=8.000,maxw=2.900)= -22.363 # GDT_score(maxd=8.000,maxw=3.200)= -21.190 # GDT_score(maxd=8.000,maxw=3.500)= -20.149 # GDT_score(maxd=10.000,maxw=3.800)= -21.774 # GDT_score(maxd=10.000,maxw=4.000)= -21.074 # GDT_score(maxd=10.000,maxw=4.200)= -20.395 # GDT_score(maxd=12.000,maxw=4.300)= -22.072 # GDT_score(maxd=12.000,maxw=4.500)= -21.390 # GDT_score(maxd=12.000,maxw=4.700)= -20.738 # GDT_score(maxd=14.000,maxw=5.200)= -20.785 # GDT_score(maxd=14.000,maxw=5.500)= -19.946 # command:# ReadConformPDB reading from PDB file T0357.undertaker-align.pdb looking for model 3 WARNING: atoms too close: (T0357)F110.C and (T0357)F111.C only 0 apart, marking (T0357)F111.C as missing WARNING: atoms too close: (T0357)F111.N and (T0357)E112.N only 0 apart, marking (T0357)F111.N as missing WARNING: atoms too close: (T0357)F111.CA and (T0357)E112.CA only 0 apart, marking (T0357)F111.CA as missing # WARNING: incomplete conformation T0357 can't currently be optimized by undertaker # copying to AlignedFragments data structure # command:# naming current conformation align3 # command:# ReadConformPDB reading from PDB file T0357.undertaker-align.pdb looking for model 4 WARNING: atoms too close: (T0357)R13.C and (T0357)A14.C only 0 apart, marking (T0357)A14.C as missing WARNING: atoms too close: (T0357)A14.N and (T0357)E15.N only 0 apart, marking (T0357)A14.N as missing WARNING: atoms too close: (T0357)A14.CA and (T0357)E15.CA only 0 apart, marking (T0357)A14.CA as missing WARNING: atoms too close: (T0357)E40.C and (T0357)S48.C only 0 apart, marking (T0357)S48.C as missing WARNING: atoms too close: (T0357)D41.N and (T0357)V49.N only 0 apart, marking (T0357)D41.N as missing WARNING: atoms too close: (T0357)D41.CA and (T0357)V49.CA only 0 apart, marking (T0357)D41.CA as missing WARNING: atoms too close: (T0357)A50.C and (T0357)N75.C only 0 apart, marking (T0357)N75.C as missing WARNING: atoms too close: (T0357)G51.N and (T0357)G76.N only 0 apart, marking (T0357)G51.N as missing WARNING: atoms too close: (T0357)G51.CA and (T0357)G76.CA only 0 apart, marking (T0357)G51.CA as missing WARNING: atoms too close: (T0357)A92.C and (T0357)A95.C only 0 apart, marking (T0357)A95.C as missing WARNING: atoms too close: (T0357)V93.N and (T0357)A96.N only 0 apart, marking (T0357)V93.N as missing WARNING: atoms too close: (T0357)V93.CA and (T0357)A96.CA only 0 apart, marking (T0357)V93.CA as missing # WARNING: incomplete conformation T0357 can't currently be optimized by undertaker # command:# naming current conformation align4 # command:# ReadConformPDB reading from PDB file T0357.undertaker-align.pdb looking for model 5 WARNING: atoms too close: (T0357)V38.C and (T0357)E40.C only 0 apart, marking (T0357)E40.C as missing WARNING: atoms too close: (T0357)K39.N and (T0357)D41.N only 0 apart, marking (T0357)K39.N as missing WARNING: atoms too close: (T0357)K39.CA and (T0357)D41.CA only 0 apart, marking (T0357)K39.CA as missing # WARNING: incomplete conformation T0357 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 137 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file ../model2.ts-submitted looking for model 1 # Found a chain break before 42 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file ../model3.ts-submitted looking for model 1 # Found a chain break before 138 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file ../model4.ts-submitted looking for model 1 # Found a chain break before 109 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file ../model5.ts-submitted looking for model 1 # Found a chain break before 133 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0357.try1-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 133 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0357.try1-opt1.pdb.gz looking for model 1 # Found a chain break before 133 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0357.try1-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 98 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0357.try1-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 98 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0357.try1-opt2.pdb.gz looking for model 1 # Found a chain break before 133 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0357.try1-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 133 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0357.try10-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 131 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0357.try10-opt1.pdb.gz looking for model 1 # Found a chain break before 131 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0357.try10-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 111 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0357.try10-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 111 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0357.try10-opt2.pdb.gz looking for model 1 # Found a chain break before 139 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0357.try10-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 139 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0357.try11-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 138 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0357.try11-opt1.pdb.gz looking for model 1 # Found a chain break before 138 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0357.try11-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 126 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0357.try11-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 126 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0357.try11-opt2.pdb.gz looking for model 1 # Found a chain break before 138 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0357.try11-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 138 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0357.try12-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 137 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0357.try12-opt1.pdb.gz looking for model 1 # Found a chain break before 137 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0357.try12-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 116 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0357.try12-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 116 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0357.try12-opt2.pdb.gz looking for model 1 # Found a chain break before 137 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0357.try12-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 137 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0357.try13-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 137 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0357.try13-opt1.pdb.gz looking for model 1 # Found a chain break before 137 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0357.try13-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 125 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0357.try13-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 125 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0357.try13-opt2.pdb.gz looking for model 1 # Found a chain break before 137 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0357.try13-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 137 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0357.try14-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 129 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0357.try14-opt1.pdb.gz looking for model 1 # Found a chain break before 129 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0357.try14-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 109 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0357.try14-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 109 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0357.try14-opt2.pdb.gz looking for model 1 # Found a chain break before 129 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0357.try14-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 129 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0357.try2-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 130 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0357.try2-opt1.pdb.gz looking for model 1 # Found a chain break before 130 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0357.try2-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 98 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0357.try2-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 98 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0357.try2-opt2.pdb.gz looking for model 1 # Found a chain break before 138 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0357.try2-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 138 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0357.try3-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 133 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0357.try3-opt1.pdb.gz looking for model 1 # Found a chain break before 133 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0357.try3-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 107 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0357.try3-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 107 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0357.try3-opt2.pdb.gz looking for model 1 # Found a chain break before 136 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0357.try3-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 136 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0357.try4-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 131 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0357.try4-opt1.pdb.gz looking for model 1 # Found a chain break before 131 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0357.try4-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 56 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0357.try4-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 56 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0357.try4-opt2.pdb.gz looking for model 1 # Found a chain break before 131 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0357.try4-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 131 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0357.try5-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 125 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0357.try5-opt1.pdb.gz looking for model 1 # Found a chain break before 125 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0357.try5-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 125 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0357.try5-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 125 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0357.try5-opt2.pdb.gz looking for model 1 # Found a chain break before 139 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0357.try5-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 139 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0357.try6-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 128 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0357.try6-opt1.pdb.gz looking for model 1 # Found a chain break before 128 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0357.try6-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 98 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0357.try6-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 98 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0357.try6-opt2.pdb.gz looking for model 1 # Found a chain break before 138 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0357.try6-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 138 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0357.try8-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 134 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0357.try8-opt1.pdb.gz looking for model 1 # Found a chain break before 134 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0357.try8-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 106 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0357.try8-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 98 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0357.try8-opt2.pdb.gz looking for model 1 # Found a chain break before 134 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0357.try9-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 133 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0357.try9-opt1.pdb.gz looking for model 1 # Found a chain break before 133 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0357.try9-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 42 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0357.try9-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 42 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0357.try9-opt2.pdb.gz looking for model 1 # Found a chain break before 133 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0357.try9-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 133 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file servers/3D-JIGSAW_POPULUS_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0357 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_POPULUS_TS1 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_1100925818.pdb -s /var/tmp/to_scwrl_1100925818.seq -o /var/tmp/from_scwrl_1100925818.pdb > /var/tmp/scwrl_1100925818.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1100925818.pdb # conformation set from SCWRL output # naming current conformation 3D-JIGSAW_POPULUS_TS1-scwrl # ReadConformPDB reading from PDB file servers/3D-JIGSAW_POPULUS_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0357 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_POPULUS_TS2 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_332415440.pdb -s /var/tmp/to_scwrl_332415440.seq -o /var/tmp/from_scwrl_332415440.pdb > /var/tmp/scwrl_332415440.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_332415440.pdb # conformation set from SCWRL output # naming current conformation 3D-JIGSAW_POPULUS_TS2-scwrl # ReadConformPDB reading from PDB file servers/3D-JIGSAW_POPULUS_TS3.pdb.gz looking for model 1 # Found a chain break before 131 # copying to AlignedFragments data structure # naming current conformation 3D-JIGSAW_POPULUS_TS3 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_902849814.pdb -s /var/tmp/to_scwrl_902849814.seq -o /var/tmp/from_scwrl_902849814.pdb > /var/tmp/scwrl_902849814.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_902849814.pdb # conformation set from SCWRL output # naming current conformation 3D-JIGSAW_POPULUS_TS3-scwrl # ReadConformPDB reading from PDB file servers/3D-JIGSAW_POPULUS_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0357 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_POPULUS_TS4 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_955450134.pdb -s /var/tmp/to_scwrl_955450134.seq -o /var/tmp/from_scwrl_955450134.pdb > /var/tmp/scwrl_955450134.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_955450134.pdb # conformation set from SCWRL output # naming current conformation 3D-JIGSAW_POPULUS_TS4-scwrl # ReadConformPDB reading from PDB file servers/3D-JIGSAW_POPULUS_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0357 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_POPULUS_TS5 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_1358542011.pdb -s /var/tmp/to_scwrl_1358542011.seq -o /var/tmp/from_scwrl_1358542011.pdb > /var/tmp/scwrl_1358542011.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1358542011.pdb # conformation set from SCWRL output # naming current conformation 3D-JIGSAW_POPULUS_TS5-scwrl # ReadConformPDB reading from PDB file servers/3D-JIGSAW_RECOM_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0357 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS1 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_1273947210.pdb -s /var/tmp/to_scwrl_1273947210.seq -o /var/tmp/from_scwrl_1273947210.pdb > /var/tmp/scwrl_1273947210.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1273947210.pdb # conformation set from SCWRL output # naming current conformation 3D-JIGSAW_RECOM_TS1-scwrl # ReadConformPDB reading from PDB file servers/3D-JIGSAW_RECOM_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0357 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS2 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_267409509.pdb -s /var/tmp/to_scwrl_267409509.seq -o /var/tmp/from_scwrl_267409509.pdb > /var/tmp/scwrl_267409509.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_267409509.pdb # conformation set from SCWRL output # naming current conformation 3D-JIGSAW_RECOM_TS2-scwrl # ReadConformPDB reading from PDB file servers/3D-JIGSAW_RECOM_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0357 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS3 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_1892259163.pdb -s /var/tmp/to_scwrl_1892259163.seq -o /var/tmp/from_scwrl_1892259163.pdb > /var/tmp/scwrl_1892259163.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1892259163.pdb # conformation set from SCWRL output # naming current conformation 3D-JIGSAW_RECOM_TS3-scwrl # ReadConformPDB reading from PDB file servers/3D-JIGSAW_RECOM_TS4.pdb.gz looking for model 1 # Found a chain break before 136 # copying to AlignedFragments data structure # naming current conformation 3D-JIGSAW_RECOM_TS4 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_958389862.pdb -s /var/tmp/to_scwrl_958389862.seq -o /var/tmp/from_scwrl_958389862.pdb > /var/tmp/scwrl_958389862.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_958389862.pdb # conformation set from SCWRL output # naming current conformation 3D-JIGSAW_RECOM_TS4-scwrl # ReadConformPDB reading from PDB file servers/3D-JIGSAW_RECOM_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0357 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS5 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_1391068354.pdb -s /var/tmp/to_scwrl_1391068354.seq -o /var/tmp/from_scwrl_1391068354.pdb > /var/tmp/scwrl_1391068354.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1391068354.pdb # conformation set from SCWRL output # naming current conformation 3D-JIGSAW_RECOM_TS5-scwrl # ReadConformPDB reading from PDB file servers/3D-JIGSAW_TS1.pdb.gz looking for model 1 # Found a chain break before 136 # copying to AlignedFragments data structure # naming current conformation 3D-JIGSAW_TS1 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_347367112.pdb -s /var/tmp/to_scwrl_347367112.seq -o /var/tmp/from_scwrl_347367112.pdb > /var/tmp/scwrl_347367112.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_347367112.pdb # conformation set from SCWRL output # naming current conformation 3D-JIGSAW_TS1-scwrl # ReadConformPDB reading from PDB file servers/3D-JIGSAW_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0357 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_TS2 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_523737557.pdb -s /var/tmp/to_scwrl_523737557.seq -o /var/tmp/from_scwrl_523737557.pdb > /var/tmp/scwrl_523737557.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_523737557.pdb # conformation set from SCWRL output # naming current conformation 3D-JIGSAW_TS2-scwrl # ReadConformPDB reading from PDB file servers/3D-JIGSAW_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0357 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation 3D-JIGSAW_TS3 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_295431493.pdb -s /var/tmp/to_scwrl_295431493.seq -o /var/tmp/from_scwrl_295431493.pdb > /var/tmp/scwrl_295431493.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_295431493.pdb # conformation set from SCWRL output # naming current conformation 3D-JIGSAW_TS3-scwrl # ReadConformPDB reading from PDB file servers/3D-JIGSAW_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0357 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_TS4 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_1243530177.pdb -s /var/tmp/to_scwrl_1243530177.seq -o /var/tmp/from_scwrl_1243530177.pdb > /var/tmp/scwrl_1243530177.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1243530177.pdb # conformation set from SCWRL output # naming current conformation 3D-JIGSAW_TS4-scwrl # ReadConformPDB reading from PDB file servers/3D-JIGSAW_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0357 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_TS5 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_585802290.pdb -s /var/tmp/to_scwrl_585802290.seq -o /var/tmp/from_scwrl_585802290.pdb > /var/tmp/scwrl_585802290.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_585802290.pdb # conformation set from SCWRL output # naming current conformation 3D-JIGSAW_TS5-scwrl # ReadConformPDB reading from PDB file servers/3Dpro_TS1.pdb.gz looking for model 1 # Found a chain break before 104 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS1 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_1474999438.pdb -s /var/tmp/to_scwrl_1474999438.seq -o /var/tmp/from_scwrl_1474999438.pdb > /var/tmp/scwrl_1474999438.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1474999438.pdb # conformation set from SCWRL output # naming current conformation 3Dpro_TS1-scwrl # ReadConformPDB reading from PDB file servers/3Dpro_TS2.pdb.gz looking for model 1 # Found a chain break before 110 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS2 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_1201032305.pdb -s /var/tmp/to_scwrl_1201032305.seq -o /var/tmp/from_scwrl_1201032305.pdb > /var/tmp/scwrl_1201032305.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1201032305.pdb # conformation set from SCWRL output # naming current conformation 3Dpro_TS2-scwrl # ReadConformPDB reading from PDB file servers/3Dpro_TS3.pdb.gz looking for model 1 # Found a chain break before 103 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS3 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_790675063.pdb -s /var/tmp/to_scwrl_790675063.seq -o /var/tmp/from_scwrl_790675063.pdb > /var/tmp/scwrl_790675063.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_790675063.pdb # conformation set from SCWRL output # naming current conformation 3Dpro_TS3-scwrl # ReadConformPDB reading from PDB file servers/3Dpro_TS4.pdb.gz looking for model 1 # Found a chain break before 26 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS4 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_89687967.pdb -s /var/tmp/to_scwrl_89687967.seq -o /var/tmp/from_scwrl_89687967.pdb > /var/tmp/scwrl_89687967.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_89687967.pdb # conformation set from SCWRL output # naming current conformation 3Dpro_TS4-scwrl # ReadConformPDB reading from PDB file servers/3Dpro_TS5.pdb.gz looking for model 1 # Found a chain break before 131 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS5 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_835611709.pdb -s /var/tmp/to_scwrl_835611709.seq -o /var/tmp/from_scwrl_835611709.pdb > /var/tmp/scwrl_835611709.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_835611709.pdb # conformation set from SCWRL output # naming current conformation 3Dpro_TS5-scwrl # ReadConformPDB reading from PDB file servers/ABIpro_TS1.pdb.gz looking for model 1 # Found a chain break before 131 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS1 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_2000307005.pdb -s /var/tmp/to_scwrl_2000307005.seq -o /var/tmp/from_scwrl_2000307005.pdb > /var/tmp/scwrl_2000307005.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2000307005.pdb # conformation set from SCWRL output # naming current conformation ABIpro_TS1-scwrl # ReadConformPDB reading from PDB file servers/ABIpro_TS2.pdb.gz looking for model 1 # Found a chain break before 121 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS2 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_209408619.pdb -s /var/tmp/to_scwrl_209408619.seq -o /var/tmp/from_scwrl_209408619.pdb > /var/tmp/scwrl_209408619.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_209408619.pdb # conformation set from SCWRL output # naming current conformation ABIpro_TS2-scwrl # ReadConformPDB reading from PDB file servers/ABIpro_TS3.pdb.gz looking for model 1 # Found a chain break before 129 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS3 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_1262503232.pdb -s /var/tmp/to_scwrl_1262503232.seq -o /var/tmp/from_scwrl_1262503232.pdb > /var/tmp/scwrl_1262503232.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1262503232.pdb # conformation set from SCWRL output # naming current conformation ABIpro_TS3-scwrl # ReadConformPDB reading from PDB file servers/ABIpro_TS4.pdb.gz looking for model 1 # Found a chain break before 129 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS4 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_1775183439.pdb -s /var/tmp/to_scwrl_1775183439.seq -o /var/tmp/from_scwrl_1775183439.pdb > /var/tmp/scwrl_1775183439.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1775183439.pdb # conformation set from SCWRL output # naming current conformation ABIpro_TS4-scwrl # ReadConformPDB reading from PDB file servers/ABIpro_TS5.pdb.gz looking for model 1 # Found a chain break before 133 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS5 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_656017969.pdb -s /var/tmp/to_scwrl_656017969.seq -o /var/tmp/from_scwrl_656017969.pdb > /var/tmp/scwrl_656017969.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_656017969.pdb # conformation set from SCWRL output # naming current conformation ABIpro_TS5-scwrl # ReadConformPDB reading from PDB file servers/BayesHH_TS1.pdb.gz looking for model 1 # Found a chain break before 73 # copying to AlignedFragments data structure # naming current conformation BayesHH_TS1 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_1589751053.pdb -s /var/tmp/to_scwrl_1589751053.seq -o /var/tmp/from_scwrl_1589751053.pdb > /var/tmp/scwrl_1589751053.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1589751053.pdb # conformation set from SCWRL output # naming current conformation BayesHH_TS1-scwrl # ReadConformPDB reading from PDB file servers/Bilab-ENABLE_TS1.pdb.gz looking for model 1 # Found a chain break before 132 # copying to AlignedFragments data structure # naming current conformation Bilab-ENABLE_TS1 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_1979302325.pdb -s /var/tmp/to_scwrl_1979302325.seq -o /var/tmp/from_scwrl_1979302325.pdb > /var/tmp/scwrl_1979302325.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1979302325.pdb # conformation set from SCWRL output # naming current conformation Bilab-ENABLE_TS1-scwrl # ReadConformPDB reading from PDB file servers/CIRCLE_TS1.pdb.gz looking for model 1 # Found a chain break before 125 # copying to AlignedFragments data structure # naming current conformation CIRCLE_TS1 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_614680312.pdb -s /var/tmp/to_scwrl_614680312.seq -o /var/tmp/from_scwrl_614680312.pdb > /var/tmp/scwrl_614680312.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_614680312.pdb # conformation set from SCWRL output # naming current conformation CIRCLE_TS1-scwrl # ReadConformPDB reading from PDB file servers/CIRCLE_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0357 can't currently be optimized by undertaker # naming current conformation CIRCLE_TS2 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_151515471.pdb -s /var/tmp/to_scwrl_151515471.seq -o /var/tmp/from_scwrl_151515471.pdb > /var/tmp/scwrl_151515471.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_151515471.pdb # conformation set from SCWRL output # naming current conformation CIRCLE_TS2-scwrl # ReadConformPDB reading from PDB file servers/CIRCLE_TS3.pdb.gz looking for model 1 # Found a chain break before 138 # copying to AlignedFragments data structure # naming current conformation CIRCLE_TS3 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_1651820320.pdb -s /var/tmp/to_scwrl_1651820320.seq -o /var/tmp/from_scwrl_1651820320.pdb > /var/tmp/scwrl_1651820320.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1651820320.pdb # conformation set from SCWRL output # naming current conformation CIRCLE_TS3-scwrl # ReadConformPDB reading from PDB file servers/CIRCLE_TS4.pdb.gz looking for model 1 # Found a chain break before 106 # copying to AlignedFragments data structure # naming current conformation CIRCLE_TS4 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_1540933707.pdb -s /var/tmp/to_scwrl_1540933707.seq -o /var/tmp/from_scwrl_1540933707.pdb > /var/tmp/scwrl_1540933707.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1540933707.pdb # conformation set from SCWRL output # naming current conformation CIRCLE_TS4-scwrl # ReadConformPDB reading from PDB file servers/CIRCLE_TS5.pdb.gz looking for model 1 # Found a chain break before 126 # copying to AlignedFragments data structure # naming current conformation CIRCLE_TS5 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_1252441290.pdb -s /var/tmp/to_scwrl_1252441290.seq -o /var/tmp/from_scwrl_1252441290.pdb > /var/tmp/scwrl_1252441290.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1252441290.pdb # conformation set from SCWRL output # naming current conformation CIRCLE_TS5-scwrl # ReadConformPDB reading from PDB file servers/CaspIta-FOX_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0357 can't currently be optimized by undertaker # naming current conformation CaspIta-FOX_TS1 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_1984235760.pdb -s /var/tmp/to_scwrl_1984235760.seq -o /var/tmp/from_scwrl_1984235760.pdb > /var/tmp/scwrl_1984235760.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1984235760.pdb # conformation set from SCWRL output # naming current conformation CaspIta-FOX_TS1-scwrl # ReadConformPDB reading from PDB file servers/CaspIta-FOX_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0357 can't currently be optimized by undertaker # naming current conformation CaspIta-FOX_TS2 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_296299874.pdb -s /var/tmp/to_scwrl_296299874.seq -o /var/tmp/from_scwrl_296299874.pdb > /var/tmp/scwrl_296299874.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_296299874.pdb # conformation set from SCWRL output # naming current conformation CaspIta-FOX_TS2-scwrl # ReadConformPDB reading from PDB file servers/CaspIta-FOX_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0357 can't currently be optimized by undertaker # naming current conformation CaspIta-FOX_TS3 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_60407777.pdb -s /var/tmp/to_scwrl_60407777.seq -o /var/tmp/from_scwrl_60407777.pdb > /var/tmp/scwrl_60407777.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_60407777.pdb # conformation set from SCWRL output # naming current conformation CaspIta-FOX_TS3-scwrl # ReadConformPDB reading from PDB file servers/CaspIta-FOX_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0357 can't currently be optimized by undertaker # naming current conformation CaspIta-FOX_TS4 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_1195294124.pdb -s /var/tmp/to_scwrl_1195294124.seq -o /var/tmp/from_scwrl_1195294124.pdb > /var/tmp/scwrl_1195294124.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1195294124.pdb # conformation set from SCWRL output # naming current conformation CaspIta-FOX_TS4-scwrl # ReadConformPDB reading from PDB file servers/CaspIta-FOX_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0357 can't currently be optimized by undertaker # naming current conformation CaspIta-FOX_TS5 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_1570247084.pdb -s /var/tmp/to_scwrl_1570247084.seq -o /var/tmp/from_scwrl_1570247084.pdb > /var/tmp/scwrl_1570247084.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1570247084.pdb # conformation set from SCWRL output # naming current conformation CaspIta-FOX_TS5-scwrl # ReadConformPDB reading from PDB file servers/Distill_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0357 can't currently be optimized by undertaker # naming current conformation Distill_TS1 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_327817286.pdb -s /var/tmp/to_scwrl_327817286.seq -o /var/tmp/from_scwrl_327817286.pdb > /var/tmp/scwrl_327817286.log Error: Couldn't open file /var/tmp/from_scwrl_327817286.pdb or /var/tmp/from_scwrl_327817286.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_327817286_b.pdb or decoys//var/tmp/from_scwrl_327817286_b.pdb.gz for input Trying /var/tmp/from_scwrl_327817286_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_327817286_b.pdb or /var/tmp/from_scwrl_327817286_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_327817286_a.pdb or decoys//var/tmp/from_scwrl_327817286_a.pdb.gz for input Trying /var/tmp/from_scwrl_327817286_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_327817286_a.pdb or /var/tmp/from_scwrl_327817286_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_327817286.pdb or /var/tmp/from_scwrl_327817286_b.pdb or /var/tmp/from_scwrl_327817286_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 T0357 can't currently be optimized by undertaker # naming current conformation Distill_TS2 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_940069641.pdb -s /var/tmp/to_scwrl_940069641.seq -o /var/tmp/from_scwrl_940069641.pdb > /var/tmp/scwrl_940069641.log Error: Couldn't open file /var/tmp/from_scwrl_940069641.pdb or /var/tmp/from_scwrl_940069641.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_940069641_b.pdb or decoys//var/tmp/from_scwrl_940069641_b.pdb.gz for input Trying /var/tmp/from_scwrl_940069641_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_940069641_b.pdb or /var/tmp/from_scwrl_940069641_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_940069641_a.pdb or decoys//var/tmp/from_scwrl_940069641_a.pdb.gz for input Trying /var/tmp/from_scwrl_940069641_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_940069641_a.pdb or /var/tmp/from_scwrl_940069641_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_940069641.pdb or /var/tmp/from_scwrl_940069641_b.pdb or /var/tmp/from_scwrl_940069641_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 T0357 can't currently be optimized by undertaker # naming current conformation Distill_TS3 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_381153299.pdb -s /var/tmp/to_scwrl_381153299.seq -o /var/tmp/from_scwrl_381153299.pdb > /var/tmp/scwrl_381153299.log Error: Couldn't open file /var/tmp/from_scwrl_381153299.pdb or /var/tmp/from_scwrl_381153299.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_381153299_b.pdb or decoys//var/tmp/from_scwrl_381153299_b.pdb.gz for input Trying /var/tmp/from_scwrl_381153299_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_381153299_b.pdb or /var/tmp/from_scwrl_381153299_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_381153299_a.pdb or decoys//var/tmp/from_scwrl_381153299_a.pdb.gz for input Trying /var/tmp/from_scwrl_381153299_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_381153299_a.pdb or /var/tmp/from_scwrl_381153299_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_381153299.pdb or /var/tmp/from_scwrl_381153299_b.pdb or /var/tmp/from_scwrl_381153299_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 T0357 can't currently be optimized by undertaker # naming current conformation Distill_TS4 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_1718885640.pdb -s /var/tmp/to_scwrl_1718885640.seq -o /var/tmp/from_scwrl_1718885640.pdb > /var/tmp/scwrl_1718885640.log Error: Couldn't open file /var/tmp/from_scwrl_1718885640.pdb or /var/tmp/from_scwrl_1718885640.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1718885640_b.pdb or decoys//var/tmp/from_scwrl_1718885640_b.pdb.gz for input Trying /var/tmp/from_scwrl_1718885640_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1718885640_b.pdb or /var/tmp/from_scwrl_1718885640_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1718885640_a.pdb or decoys//var/tmp/from_scwrl_1718885640_a.pdb.gz for input Trying /var/tmp/from_scwrl_1718885640_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1718885640_a.pdb or /var/tmp/from_scwrl_1718885640_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1718885640.pdb or /var/tmp/from_scwrl_1718885640_b.pdb or /var/tmp/from_scwrl_1718885640_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 T0357 can't currently be optimized by undertaker # naming current conformation Distill_TS5 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_1287436752.pdb -s /var/tmp/to_scwrl_1287436752.seq -o /var/tmp/from_scwrl_1287436752.pdb > /var/tmp/scwrl_1287436752.log Error: Couldn't open file /var/tmp/from_scwrl_1287436752.pdb or /var/tmp/from_scwrl_1287436752.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1287436752_b.pdb or decoys//var/tmp/from_scwrl_1287436752_b.pdb.gz for input Trying /var/tmp/from_scwrl_1287436752_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1287436752_b.pdb or /var/tmp/from_scwrl_1287436752_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1287436752_a.pdb or decoys//var/tmp/from_scwrl_1287436752_a.pdb.gz for input Trying /var/tmp/from_scwrl_1287436752_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1287436752_a.pdb or /var/tmp/from_scwrl_1287436752_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1287436752.pdb or /var/tmp/from_scwrl_1287436752_b.pdb or /var/tmp/from_scwrl_1287436752_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 139 # copying to AlignedFragments data structure # naming current conformation FAMSD_TS1 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_904890856.pdb -s /var/tmp/to_scwrl_904890856.seq -o /var/tmp/from_scwrl_904890856.pdb > /var/tmp/scwrl_904890856.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_904890856.pdb # conformation set from SCWRL output # naming current conformation FAMSD_TS1-scwrl # ReadConformPDB reading from PDB file servers/FAMSD_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0357 can't currently be optimized by undertaker # naming current conformation FAMSD_TS2 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_2014317134.pdb -s /var/tmp/to_scwrl_2014317134.seq -o /var/tmp/from_scwrl_2014317134.pdb > /var/tmp/scwrl_2014317134.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2014317134.pdb # conformation set from SCWRL output # naming current conformation FAMSD_TS2-scwrl # ReadConformPDB reading from PDB file servers/FAMSD_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0357 can't currently be optimized by undertaker # naming current conformation FAMSD_TS3 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_383483283.pdb -s /var/tmp/to_scwrl_383483283.seq -o /var/tmp/from_scwrl_383483283.pdb > /var/tmp/scwrl_383483283.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_383483283.pdb # conformation set from SCWRL output # naming current conformation FAMSD_TS3-scwrl # ReadConformPDB reading from PDB file servers/FAMSD_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0357 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FAMSD_TS4 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_1490693145.pdb -s /var/tmp/to_scwrl_1490693145.seq -o /var/tmp/from_scwrl_1490693145.pdb > /var/tmp/scwrl_1490693145.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1490693145.pdb # conformation set from SCWRL output # naming current conformation FAMSD_TS4-scwrl # ReadConformPDB reading from PDB file servers/FAMSD_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0357 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FAMSD_TS5 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_1341832925.pdb -s /var/tmp/to_scwrl_1341832925.seq -o /var/tmp/from_scwrl_1341832925.pdb > /var/tmp/scwrl_1341832925.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1341832925.pdb # conformation set from SCWRL output # naming current conformation FAMSD_TS5-scwrl # ReadConformPDB reading from PDB file servers/FAMS_TS1.pdb.gz looking for model 1 # Found a chain break before 136 # copying to AlignedFragments data structure # naming current conformation FAMS_TS1 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_1584515589.pdb -s /var/tmp/to_scwrl_1584515589.seq -o /var/tmp/from_scwrl_1584515589.pdb > /var/tmp/scwrl_1584515589.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1584515589.pdb # conformation set from SCWRL output # naming current conformation FAMS_TS1-scwrl # ReadConformPDB reading from PDB file servers/FAMS_TS2.pdb.gz looking for model 1 # Found a chain break before 125 # copying to AlignedFragments data structure # naming current conformation FAMS_TS2 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_133884561.pdb -s /var/tmp/to_scwrl_133884561.seq -o /var/tmp/from_scwrl_133884561.pdb > /var/tmp/scwrl_133884561.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_133884561.pdb # conformation set from SCWRL output # naming current conformation FAMS_TS2-scwrl # ReadConformPDB reading from PDB file servers/FAMS_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0357 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FAMS_TS3 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_1431520892.pdb -s /var/tmp/to_scwrl_1431520892.seq -o /var/tmp/from_scwrl_1431520892.pdb > /var/tmp/scwrl_1431520892.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1431520892.pdb # conformation set from SCWRL output # naming current conformation FAMS_TS3-scwrl # ReadConformPDB reading from PDB file servers/FAMS_TS4.pdb.gz looking for model 1 # Found a chain break before 126 # copying to AlignedFragments data structure # naming current conformation FAMS_TS4 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_272643651.pdb -s /var/tmp/to_scwrl_272643651.seq -o /var/tmp/from_scwrl_272643651.pdb > /var/tmp/scwrl_272643651.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_272643651.pdb # conformation set from SCWRL output # naming current conformation FAMS_TS4-scwrl # ReadConformPDB reading from PDB file servers/FAMS_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0357 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FAMS_TS5 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_2134191566.pdb -s /var/tmp/to_scwrl_2134191566.seq -o /var/tmp/from_scwrl_2134191566.pdb > /var/tmp/scwrl_2134191566.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2134191566.pdb # conformation set from SCWRL output # naming current conformation FAMS_TS5-scwrl # ReadConformPDB reading from PDB file servers/FOLDpro_TS1.pdb.gz looking for model 1 # Found a chain break before 104 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS1 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_1640929512.pdb -s /var/tmp/to_scwrl_1640929512.seq -o /var/tmp/from_scwrl_1640929512.pdb > /var/tmp/scwrl_1640929512.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1640929512.pdb # conformation set from SCWRL output # naming current conformation FOLDpro_TS1-scwrl # ReadConformPDB reading from PDB file servers/FOLDpro_TS2.pdb.gz looking for model 1 # Found a chain break before 100 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS2 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_1535146883.pdb -s /var/tmp/to_scwrl_1535146883.seq -o /var/tmp/from_scwrl_1535146883.pdb > /var/tmp/scwrl_1535146883.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1535146883.pdb # conformation set from SCWRL output # naming current conformation FOLDpro_TS2-scwrl # ReadConformPDB reading from PDB file servers/FOLDpro_TS3.pdb.gz looking for model 1 # Found a chain break before 55 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS3 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_1761891359.pdb -s /var/tmp/to_scwrl_1761891359.seq -o /var/tmp/from_scwrl_1761891359.pdb > /var/tmp/scwrl_1761891359.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1761891359.pdb # conformation set from SCWRL output # naming current conformation FOLDpro_TS3-scwrl # ReadConformPDB reading from PDB file servers/FOLDpro_TS4.pdb.gz looking for model 1 # Found a chain break before 81 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS4 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_149463834.pdb -s /var/tmp/to_scwrl_149463834.seq -o /var/tmp/from_scwrl_149463834.pdb > /var/tmp/scwrl_149463834.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_149463834.pdb # conformation set from SCWRL output # naming current conformation FOLDpro_TS4-scwrl # ReadConformPDB reading from PDB file servers/FOLDpro_TS5.pdb.gz looking for model 1 # Found a chain break before 112 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS5 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_977414290.pdb -s /var/tmp/to_scwrl_977414290.seq -o /var/tmp/from_scwrl_977414290.pdb > /var/tmp/scwrl_977414290.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_977414290.pdb # conformation set from SCWRL output # naming current conformation FOLDpro_TS5-scwrl # ReadConformPDB reading from PDB file servers/FORTE1_AL1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0357 can't currently be optimized by undertaker # naming current conformation FORTE1_AL1 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_1593710037.pdb -s /var/tmp/to_scwrl_1593710037.seq -o /var/tmp/from_scwrl_1593710037.pdb > /var/tmp/scwrl_1593710037.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1593710037.pdb # conformation set from SCWRL output # naming current conformation FORTE1_AL1-scwrl # ReadConformPDB reading from PDB file servers/FORTE1_AL2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0357 can't currently be optimized by undertaker # naming current conformation FORTE1_AL2 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_764144146.pdb -s /var/tmp/to_scwrl_764144146.seq -o /var/tmp/from_scwrl_764144146.pdb > /var/tmp/scwrl_764144146.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_764144146.pdb # conformation set from SCWRL output # naming current conformation FORTE1_AL2-scwrl # ReadConformPDB reading from PDB file servers/FORTE1_AL3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0357 can't currently be optimized by undertaker # naming current conformation FORTE1_AL3 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_1128929761.pdb -s /var/tmp/to_scwrl_1128929761.seq -o /var/tmp/from_scwrl_1128929761.pdb > /var/tmp/scwrl_1128929761.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1128929761.pdb # conformation set from SCWRL output # naming current conformation FORTE1_AL3-scwrl # ReadConformPDB reading from PDB file servers/FORTE1_AL4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0357 can't currently be optimized by undertaker # naming current conformation FORTE1_AL4 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_1098046710.pdb -s /var/tmp/to_scwrl_1098046710.seq -o /var/tmp/from_scwrl_1098046710.pdb > /var/tmp/scwrl_1098046710.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1098046710.pdb # conformation set from SCWRL output # naming current conformation FORTE1_AL4-scwrl # ReadConformPDB reading from PDB file servers/FORTE1_AL5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0357 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FORTE1_AL5 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_157594206.pdb -s /var/tmp/to_scwrl_157594206.seq -o /var/tmp/from_scwrl_157594206.pdb > /var/tmp/scwrl_157594206.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_157594206.pdb # conformation set from SCWRL output # naming current conformation FORTE1_AL5-scwrl # ReadConformPDB reading from PDB file servers/FORTE2_AL1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0357 can't currently be optimized by undertaker # naming current conformation FORTE2_AL1 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_233887405.pdb -s /var/tmp/to_scwrl_233887405.seq -o /var/tmp/from_scwrl_233887405.pdb > /var/tmp/scwrl_233887405.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_233887405.pdb # conformation set from SCWRL output # naming current conformation FORTE2_AL1-scwrl # ReadConformPDB reading from PDB file servers/FORTE2_AL2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0357 can't currently be optimized by undertaker # naming current conformation FORTE2_AL2 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_934798824.pdb -s /var/tmp/to_scwrl_934798824.seq -o /var/tmp/from_scwrl_934798824.pdb > /var/tmp/scwrl_934798824.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_934798824.pdb # conformation set from SCWRL output # naming current conformation FORTE2_AL2-scwrl # ReadConformPDB reading from PDB file servers/FORTE2_AL3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0357 can't currently be optimized by undertaker # naming current conformation FORTE2_AL3 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_453894080.pdb -s /var/tmp/to_scwrl_453894080.seq -o /var/tmp/from_scwrl_453894080.pdb > /var/tmp/scwrl_453894080.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_453894080.pdb # conformation set from SCWRL output # naming current conformation FORTE2_AL3-scwrl # ReadConformPDB reading from PDB file servers/FORTE2_AL4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0357 can't currently be optimized by undertaker # naming current conformation FORTE2_AL4 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_294295182.pdb -s /var/tmp/to_scwrl_294295182.seq -o /var/tmp/from_scwrl_294295182.pdb > /var/tmp/scwrl_294295182.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_294295182.pdb # conformation set from SCWRL output # naming current conformation FORTE2_AL4-scwrl # ReadConformPDB reading from PDB file servers/FORTE2_AL5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0357 can't currently be optimized by undertaker # naming current conformation FORTE2_AL5 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_2130092948.pdb -s /var/tmp/to_scwrl_2130092948.seq -o /var/tmp/from_scwrl_2130092948.pdb > /var/tmp/scwrl_2130092948.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2130092948.pdb # conformation set from SCWRL output # naming current conformation FORTE2_AL5-scwrl # ReadConformPDB reading from PDB file servers/FPSOLVER-SERVER_TS1.pdb.gz looking for model 1 # Found a chain break before 140 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS1 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_2024141164.pdb -s /var/tmp/to_scwrl_2024141164.seq -o /var/tmp/from_scwrl_2024141164.pdb > /var/tmp/scwrl_2024141164.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2024141164.pdb # conformation set from SCWRL output # naming current conformation FPSOLVER-SERVER_TS1-scwrl # ReadConformPDB reading from PDB file servers/FPSOLVER-SERVER_TS2.pdb.gz looking for model 1 # naming current conformation FPSOLVER-SERVER_TS2 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_622112468.pdb -s /var/tmp/to_scwrl_622112468.seq -o /var/tmp/from_scwrl_622112468.pdb > /var/tmp/scwrl_622112468.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_622112468.pdb # conformation set from SCWRL output # naming current conformation FPSOLVER-SERVER_TS2-scwrl # ReadConformPDB reading from PDB file servers/FPSOLVER-SERVER_TS3.pdb.gz looking for model 1 # Found a chain break before 87 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS3 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_922678943.pdb -s /var/tmp/to_scwrl_922678943.seq -o /var/tmp/from_scwrl_922678943.pdb > /var/tmp/scwrl_922678943.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_922678943.pdb # conformation set from SCWRL output # naming current conformation FPSOLVER-SERVER_TS3-scwrl # ReadConformPDB reading from PDB file servers/FPSOLVER-SERVER_TS4.pdb.gz looking for model 1 # Found a chain break before 105 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS4 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_257810816.pdb -s /var/tmp/to_scwrl_257810816.seq -o /var/tmp/from_scwrl_257810816.pdb > /var/tmp/scwrl_257810816.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_257810816.pdb # conformation set from SCWRL output # naming current conformation FPSOLVER-SERVER_TS4-scwrl # ReadConformPDB reading from PDB file servers/FPSOLVER-SERVER_TS5.pdb.gz looking for model 1 # Found a chain break before 123 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS5 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_193514462.pdb -s /var/tmp/to_scwrl_193514462.seq -o /var/tmp/from_scwrl_193514462.pdb > /var/tmp/scwrl_193514462.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_193514462.pdb # conformation set from SCWRL output # naming current conformation FPSOLVER-SERVER_TS5-scwrl # ReadConformPDB reading from PDB file servers/FUGMOD_TS1.pdb.gz looking for model 1 # Found a chain break before 132 # copying to AlignedFragments data structure # naming current conformation FUGMOD_TS1 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_62632048.pdb -s /var/tmp/to_scwrl_62632048.seq -o /var/tmp/from_scwrl_62632048.pdb > /var/tmp/scwrl_62632048.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_62632048.pdb # conformation set from SCWRL output # naming current conformation FUGMOD_TS1-scwrl # ReadConformPDB reading from PDB file servers/FUGMOD_TS2.pdb.gz looking for model 1 # Found a chain break before 89 # copying to AlignedFragments data structure # naming current conformation FUGMOD_TS2 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_1162701671.pdb -s /var/tmp/to_scwrl_1162701671.seq -o /var/tmp/from_scwrl_1162701671.pdb > /var/tmp/scwrl_1162701671.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1162701671.pdb # conformation set from SCWRL output # naming current conformation FUGMOD_TS2-scwrl # ReadConformPDB reading from PDB file servers/FUGMOD_TS3.pdb.gz looking for model 1 # naming current conformation FUGMOD_TS3 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_60347949.pdb -s /var/tmp/to_scwrl_60347949.seq -o /var/tmp/from_scwrl_60347949.pdb > /var/tmp/scwrl_60347949.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_60347949.pdb # conformation set from SCWRL output # naming current conformation FUGMOD_TS3-scwrl # ReadConformPDB reading from PDB file servers/FUGMOD_TS4.pdb.gz looking for model 1 # Found a chain break before 65 # copying to AlignedFragments data structure # naming current conformation FUGMOD_TS4 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_446115332.pdb -s /var/tmp/to_scwrl_446115332.seq -o /var/tmp/from_scwrl_446115332.pdb > /var/tmp/scwrl_446115332.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_446115332.pdb # conformation set from SCWRL output # naming current conformation FUGMOD_TS4-scwrl # ReadConformPDB reading from PDB file servers/FUGMOD_TS5.pdb.gz looking for model 1 # Found a chain break before 128 # copying to AlignedFragments data structure # naming current conformation FUGMOD_TS5 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_505911171.pdb -s /var/tmp/to_scwrl_505911171.seq -o /var/tmp/from_scwrl_505911171.pdb > /var/tmp/scwrl_505911171.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_505911171.pdb # conformation set from SCWRL output # naming current conformation FUGMOD_TS5-scwrl # ReadConformPDB reading from PDB file servers/FUGUE_AL1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0357 can't currently be optimized by undertaker # naming current conformation FUGUE_AL1 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_1402180874.pdb -s /var/tmp/to_scwrl_1402180874.seq -o /var/tmp/from_scwrl_1402180874.pdb > /var/tmp/scwrl_1402180874.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1402180874.pdb # conformation set from SCWRL output # naming current conformation FUGUE_AL1-scwrl # ReadConformPDB reading from PDB file servers/FUGUE_AL2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0357 can't currently be optimized by undertaker # naming current conformation FUGUE_AL2 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_2030630921.pdb -s /var/tmp/to_scwrl_2030630921.seq -o /var/tmp/from_scwrl_2030630921.pdb > /var/tmp/scwrl_2030630921.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2030630921.pdb # conformation set from SCWRL output # naming current conformation FUGUE_AL2-scwrl # ReadConformPDB reading from PDB file servers/FUGUE_AL3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0357 can't currently be optimized by undertaker # naming current conformation FUGUE_AL3 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_639795732.pdb -s /var/tmp/to_scwrl_639795732.seq -o /var/tmp/from_scwrl_639795732.pdb > /var/tmp/scwrl_639795732.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_639795732.pdb # conformation set from SCWRL output # naming current conformation FUGUE_AL3-scwrl # ReadConformPDB reading from PDB file servers/FUGUE_AL4.pdb.gz looking for model 1 Skipped atom 399, because occupancy 1 <= existing 1.000 in servers/FUGUE_AL4.pdb.gz Skipped atom 401, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL4.pdb.gz Skipped atom 403, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL4.pdb.gz Skipped atom 405, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL4.pdb.gz Skipped atom 407, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL4.pdb.gz # WARNING: incomplete conformation T0357 can't currently be optimized by undertaker # naming current conformation FUGUE_AL4 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_686218120.pdb -s /var/tmp/to_scwrl_686218120.seq -o /var/tmp/from_scwrl_686218120.pdb > /var/tmp/scwrl_686218120.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_686218120.pdb # conformation set from SCWRL output # naming current conformation FUGUE_AL4-scwrl # ReadConformPDB reading from PDB file servers/FUGUE_AL5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0357 can't currently be optimized by undertaker # naming current conformation FUGUE_AL5 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_155790925.pdb -s /var/tmp/to_scwrl_155790925.seq -o /var/tmp/from_scwrl_155790925.pdb > /var/tmp/scwrl_155790925.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_155790925.pdb # conformation set from SCWRL output # naming current conformation FUGUE_AL5-scwrl # ReadConformPDB reading from PDB file servers/FUNCTION_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0357 can't currently be optimized by undertaker # naming current conformation FUNCTION_TS1 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_626503652.pdb -s /var/tmp/to_scwrl_626503652.seq -o /var/tmp/from_scwrl_626503652.pdb > /var/tmp/scwrl_626503652.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_626503652.pdb # conformation set from SCWRL output # naming current conformation FUNCTION_TS1-scwrl # ReadConformPDB reading from PDB file servers/FUNCTION_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0357 can't currently be optimized by undertaker # naming current conformation FUNCTION_TS2 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_179663985.pdb -s /var/tmp/to_scwrl_179663985.seq -o /var/tmp/from_scwrl_179663985.pdb > /var/tmp/scwrl_179663985.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_179663985.pdb # conformation set from SCWRL output # naming current conformation FUNCTION_TS2-scwrl # ReadConformPDB reading from PDB file servers/FUNCTION_TS3.pdb.gz looking for model 1 # Found a chain break before 136 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS3 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_1690937808.pdb -s /var/tmp/to_scwrl_1690937808.seq -o /var/tmp/from_scwrl_1690937808.pdb > /var/tmp/scwrl_1690937808.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1690937808.pdb # conformation set from SCWRL output # naming current conformation FUNCTION_TS3-scwrl # ReadConformPDB reading from PDB file servers/FUNCTION_TS4.pdb.gz looking for model 1 # Found a chain break before 136 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS4 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_240911364.pdb -s /var/tmp/to_scwrl_240911364.seq -o /var/tmp/from_scwrl_240911364.pdb > /var/tmp/scwrl_240911364.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_240911364.pdb # conformation set from SCWRL output # naming current conformation FUNCTION_TS4-scwrl # ReadConformPDB reading from PDB file servers/FUNCTION_TS5.pdb.gz looking for model 1 # Found a chain break before 138 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS5 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_329127819.pdb -s /var/tmp/to_scwrl_329127819.seq -o /var/tmp/from_scwrl_329127819.pdb > /var/tmp/scwrl_329127819.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_329127819.pdb # conformation set from SCWRL output # naming current conformation FUNCTION_TS5-scwrl # ReadConformPDB reading from PDB file servers/GeneSilicoMetaServer_TS1.pdb.gz looking for model 1 # Found a chain break before 79 # copying to AlignedFragments data structure # naming current conformation GeneSilicoMetaServer_TS1 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_520868451.pdb -s /var/tmp/to_scwrl_520868451.seq -o /var/tmp/from_scwrl_520868451.pdb > /var/tmp/scwrl_520868451.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_520868451.pdb # conformation set from SCWRL output # naming current conformation GeneSilicoMetaServer_TS1-scwrl # ReadConformPDB reading from PDB file servers/GeneSilicoMetaServer_TS2.pdb.gz looking for model 1 # Found a chain break before 79 # copying to AlignedFragments data structure # naming current conformation GeneSilicoMetaServer_TS2 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_1834621401.pdb -s /var/tmp/to_scwrl_1834621401.seq -o /var/tmp/from_scwrl_1834621401.pdb > /var/tmp/scwrl_1834621401.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1834621401.pdb # conformation set from SCWRL output # naming current conformation GeneSilicoMetaServer_TS2-scwrl # ReadConformPDB reading from PDB file servers/GeneSilicoMetaServer_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0357 can't currently be optimized by undertaker # naming current conformation GeneSilicoMetaServer_TS3 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_1093271964.pdb -s /var/tmp/to_scwrl_1093271964.seq -o /var/tmp/from_scwrl_1093271964.pdb > /var/tmp/scwrl_1093271964.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1093271964.pdb # conformation set from SCWRL output # naming current conformation GeneSilicoMetaServer_TS3-scwrl # ReadConformPDB reading from PDB file servers/GeneSilicoMetaServer_TS4.pdb.gz looking for model 1 # Found a chain break before 133 # copying to AlignedFragments data structure # naming current conformation GeneSilicoMetaServer_TS4 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_1649798212.pdb -s /var/tmp/to_scwrl_1649798212.seq -o /var/tmp/from_scwrl_1649798212.pdb > /var/tmp/scwrl_1649798212.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1649798212.pdb # conformation set from SCWRL output # naming current conformation GeneSilicoMetaServer_TS4-scwrl # ReadConformPDB reading from PDB file servers/GeneSilicoMetaServer_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0357 can't currently be optimized by undertaker # naming current conformation GeneSilicoMetaServer_TS5 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_785184466.pdb -s /var/tmp/to_scwrl_785184466.seq -o /var/tmp/from_scwrl_785184466.pdb > /var/tmp/scwrl_785184466.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_785184466.pdb # conformation set from SCWRL output # naming current conformation GeneSilicoMetaServer_TS5-scwrl # ReadConformPDB reading from PDB file servers/HHpred1_TS1.pdb.gz looking for model 1 # Found a chain break before 46 # copying to AlignedFragments data structure # naming current conformation HHpred1_TS1 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_1250866170.pdb -s /var/tmp/to_scwrl_1250866170.seq -o /var/tmp/from_scwrl_1250866170.pdb > /var/tmp/scwrl_1250866170.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1250866170.pdb # conformation set from SCWRL output # naming current conformation HHpred1_TS1-scwrl # ReadConformPDB reading from PDB file servers/HHpred2_TS1.pdb.gz looking for model 1 # naming current conformation HHpred2_TS1 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_1883685617.pdb -s /var/tmp/to_scwrl_1883685617.seq -o /var/tmp/from_scwrl_1883685617.pdb > /var/tmp/scwrl_1883685617.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1883685617.pdb # conformation set from SCWRL output # naming current conformation HHpred2_TS1-scwrl # ReadConformPDB reading from PDB file servers/HHpred3_TS1.pdb.gz looking for model 1 # naming current conformation HHpred3_TS1 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_1719983289.pdb -s /var/tmp/to_scwrl_1719983289.seq -o /var/tmp/from_scwrl_1719983289.pdb > /var/tmp/scwrl_1719983289.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1719983289.pdb # conformation set from SCWRL output # naming current conformation HHpred3_TS1-scwrl # ReadConformPDB reading from PDB file servers/Huber-Torda-Server_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0357 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS1 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_1704760250.pdb -s /var/tmp/to_scwrl_1704760250.seq -o /var/tmp/from_scwrl_1704760250.pdb > /var/tmp/scwrl_1704760250.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1704760250.pdb # conformation set from SCWRL output # naming current conformation Huber-Torda-Server_TS1-scwrl # ReadConformPDB reading from PDB file servers/Huber-Torda-Server_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0357 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS2 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_30497152.pdb -s /var/tmp/to_scwrl_30497152.seq -o /var/tmp/from_scwrl_30497152.pdb > /var/tmp/scwrl_30497152.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_30497152.pdb # conformation set from SCWRL output # naming current conformation Huber-Torda-Server_TS2-scwrl # ReadConformPDB reading from PDB file servers/Huber-Torda-Server_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0357 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS3 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_1702592591.pdb -s /var/tmp/to_scwrl_1702592591.seq -o /var/tmp/from_scwrl_1702592591.pdb > /var/tmp/scwrl_1702592591.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1702592591.pdb # conformation set from SCWRL output # naming current conformation Huber-Torda-Server_TS3-scwrl # ReadConformPDB reading from PDB file servers/Huber-Torda-Server_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0357 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS4 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_1581417767.pdb -s /var/tmp/to_scwrl_1581417767.seq -o /var/tmp/from_scwrl_1581417767.pdb > /var/tmp/scwrl_1581417767.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1581417767.pdb # conformation set from SCWRL output # naming current conformation Huber-Torda-Server_TS4-scwrl # ReadConformPDB reading from PDB file servers/Huber-Torda-Server_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0357 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS5 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_652609621.pdb -s /var/tmp/to_scwrl_652609621.seq -o /var/tmp/from_scwrl_652609621.pdb > /var/tmp/scwrl_652609621.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_652609621.pdb # conformation set from SCWRL output # naming current conformation Huber-Torda-Server_TS5-scwrl # ReadConformPDB reading from PDB file servers/LOOPP_TS1.pdb.gz looking for model 1 # Found a chain break before 131 # copying to AlignedFragments data structure # naming current conformation LOOPP_TS1 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_477787887.pdb -s /var/tmp/to_scwrl_477787887.seq -o /var/tmp/from_scwrl_477787887.pdb > /var/tmp/scwrl_477787887.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_477787887.pdb # conformation set from SCWRL output # naming current conformation LOOPP_TS1-scwrl # ReadConformPDB reading from PDB file servers/LOOPP_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0357 can't currently be optimized by undertaker # naming current conformation LOOPP_TS2 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_1839228583.pdb -s /var/tmp/to_scwrl_1839228583.seq -o /var/tmp/from_scwrl_1839228583.pdb > /var/tmp/scwrl_1839228583.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1839228583.pdb # conformation set from SCWRL output # naming current conformation LOOPP_TS2-scwrl # ReadConformPDB reading from PDB file servers/LOOPP_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0357 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation LOOPP_TS3 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_846124083.pdb -s /var/tmp/to_scwrl_846124083.seq -o /var/tmp/from_scwrl_846124083.pdb > /var/tmp/scwrl_846124083.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_846124083.pdb # conformation set from SCWRL output # naming current conformation LOOPP_TS3-scwrl # ReadConformPDB reading from PDB file servers/LOOPP_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0357 can't currently be optimized by undertaker # naming current conformation LOOPP_TS4 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_540419935.pdb -s /var/tmp/to_scwrl_540419935.seq -o /var/tmp/from_scwrl_540419935.pdb > /var/tmp/scwrl_540419935.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_540419935.pdb # conformation set from SCWRL output # naming current conformation LOOPP_TS4-scwrl # ReadConformPDB reading from PDB file servers/LOOPP_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0357 can't currently be optimized by undertaker # naming current conformation LOOPP_TS5 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_854446609.pdb -s /var/tmp/to_scwrl_854446609.seq -o /var/tmp/from_scwrl_854446609.pdb > /var/tmp/scwrl_854446609.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_854446609.pdb # conformation set from SCWRL output # naming current conformation LOOPP_TS5-scwrl # ReadConformPDB reading from PDB file servers/MIG_FROST_AL1.pdb.gz looking for model 1 Error: Reading chain from PDB file servers/MIG_FROST_AL1.pdb.gz failed. # naming current conformation MIG_FROST_AL1 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_906472032.pdb -s /var/tmp/to_scwrl_906472032.seq -o /var/tmp/from_scwrl_906472032.pdb > /var/tmp/scwrl_906472032.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_906472032.pdb # conformation set from SCWRL output # naming current conformation MIG_FROST_AL1-scwrl # ReadConformPDB reading from PDB file servers/Ma-OPUS-server2_TS1.pdb.gz looking for model 1 # Found a chain break before 111 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server2_TS1 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_986535267.pdb -s /var/tmp/to_scwrl_986535267.seq -o /var/tmp/from_scwrl_986535267.pdb > /var/tmp/scwrl_986535267.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_986535267.pdb # conformation set from SCWRL output # naming current conformation Ma-OPUS-server2_TS1-scwrl # ReadConformPDB reading from PDB file servers/Ma-OPUS-server2_TS2.pdb.gz looking for model 1 # naming current conformation Ma-OPUS-server2_TS2 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_1360357779.pdb -s /var/tmp/to_scwrl_1360357779.seq -o /var/tmp/from_scwrl_1360357779.pdb > /var/tmp/scwrl_1360357779.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1360357779.pdb # conformation set from SCWRL output # naming current conformation Ma-OPUS-server2_TS2-scwrl # ReadConformPDB reading from PDB file servers/Ma-OPUS-server2_TS3.pdb.gz looking for model 1 # Found a chain break before 119 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server2_TS3 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_161169259.pdb -s /var/tmp/to_scwrl_161169259.seq -o /var/tmp/from_scwrl_161169259.pdb > /var/tmp/scwrl_161169259.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_161169259.pdb # conformation set from SCWRL output # naming current conformation Ma-OPUS-server2_TS3-scwrl # ReadConformPDB reading from PDB file servers/Ma-OPUS-server2_TS4.pdb.gz looking for model 1 # Found a chain break before 61 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server2_TS4 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_869682541.pdb -s /var/tmp/to_scwrl_869682541.seq -o /var/tmp/from_scwrl_869682541.pdb > /var/tmp/scwrl_869682541.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_869682541.pdb # conformation set from SCWRL output # naming current conformation Ma-OPUS-server2_TS4-scwrl # ReadConformPDB reading from PDB file servers/Ma-OPUS-server2_TS5.pdb.gz looking for model 1 # Found a chain break before 129 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server2_TS5 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_2000153511.pdb -s /var/tmp/to_scwrl_2000153511.seq -o /var/tmp/from_scwrl_2000153511.pdb > /var/tmp/scwrl_2000153511.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2000153511.pdb # conformation set from SCWRL output # naming current conformation Ma-OPUS-server2_TS5-scwrl # ReadConformPDB reading from PDB file servers/Ma-OPUS-server_TS1.pdb.gz looking for model 1 # Found a chain break before 47 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS1 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_847387379.pdb -s /var/tmp/to_scwrl_847387379.seq -o /var/tmp/from_scwrl_847387379.pdb > /var/tmp/scwrl_847387379.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_847387379.pdb # conformation set from SCWRL output # naming current conformation Ma-OPUS-server_TS1-scwrl # ReadConformPDB reading from PDB file servers/Ma-OPUS-server_TS2.pdb.gz looking for model 1 # Found a chain break before 76 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS2 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_1025473466.pdb -s /var/tmp/to_scwrl_1025473466.seq -o /var/tmp/from_scwrl_1025473466.pdb > /var/tmp/scwrl_1025473466.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1025473466.pdb # conformation set from SCWRL output # naming current conformation Ma-OPUS-server_TS2-scwrl # ReadConformPDB reading from PDB file servers/Ma-OPUS-server_TS3.pdb.gz looking for model 1 # Found a chain break before 123 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS3 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_479173516.pdb -s /var/tmp/to_scwrl_479173516.seq -o /var/tmp/from_scwrl_479173516.pdb > /var/tmp/scwrl_479173516.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_479173516.pdb # conformation set from SCWRL output # naming current conformation Ma-OPUS-server_TS3-scwrl # ReadConformPDB reading from PDB file servers/Ma-OPUS-server_TS4.pdb.gz looking for model 1 # Found a chain break before 133 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS4 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_1027051365.pdb -s /var/tmp/to_scwrl_1027051365.seq -o /var/tmp/from_scwrl_1027051365.pdb > /var/tmp/scwrl_1027051365.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1027051365.pdb # conformation set from SCWRL output # naming current conformation Ma-OPUS-server_TS4-scwrl # ReadConformPDB reading from PDB file servers/Ma-OPUS-server_TS5.pdb.gz looking for model 1 # Found a chain break before 129 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS5 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_568927627.pdb -s /var/tmp/to_scwrl_568927627.seq -o /var/tmp/from_scwrl_568927627.pdb > /var/tmp/scwrl_568927627.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_568927627.pdb # conformation set from SCWRL output # naming current conformation Ma-OPUS-server_TS5-scwrl # ReadConformPDB reading from PDB file servers/MetaTasser_TS1.pdb.gz looking for model 1 # Found a chain break before 138 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS1 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_720084880.pdb -s /var/tmp/to_scwrl_720084880.seq -o /var/tmp/from_scwrl_720084880.pdb > /var/tmp/scwrl_720084880.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_720084880.pdb # conformation set from SCWRL output # naming current conformation MetaTasser_TS1-scwrl # ReadConformPDB reading from PDB file servers/MetaTasser_TS2.pdb.gz looking for model 1 # Found a chain break before 139 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS2 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_1356179183.pdb -s /var/tmp/to_scwrl_1356179183.seq -o /var/tmp/from_scwrl_1356179183.pdb > /var/tmp/scwrl_1356179183.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1356179183.pdb # conformation set from SCWRL output # naming current conformation MetaTasser_TS2-scwrl # ReadConformPDB reading from PDB file servers/MetaTasser_TS3.pdb.gz looking for model 1 # Found a chain break before 139 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS3 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_1089796078.pdb -s /var/tmp/to_scwrl_1089796078.seq -o /var/tmp/from_scwrl_1089796078.pdb > /var/tmp/scwrl_1089796078.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1089796078.pdb # conformation set from SCWRL output # naming current conformation MetaTasser_TS3-scwrl # ReadConformPDB reading from PDB file servers/MetaTasser_TS4.pdb.gz looking for model 1 # Found a chain break before 139 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS4 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_407222635.pdb -s /var/tmp/to_scwrl_407222635.seq -o /var/tmp/from_scwrl_407222635.pdb > /var/tmp/scwrl_407222635.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_407222635.pdb # conformation set from SCWRL output # naming current conformation MetaTasser_TS4-scwrl # ReadConformPDB reading from PDB file servers/MetaTasser_TS5.pdb.gz looking for model 1 # Found a chain break before 139 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS5 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_301967502.pdb -s /var/tmp/to_scwrl_301967502.seq -o /var/tmp/from_scwrl_301967502.pdb > /var/tmp/scwrl_301967502.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_301967502.pdb # conformation set from SCWRL output # naming current conformation MetaTasser_TS5-scwrl # ReadConformPDB reading from PDB file servers/NN_PUT_lab_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0357 can't currently be optimized by undertaker # naming current conformation NN_PUT_lab_TS1 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_592110644.pdb -s /var/tmp/to_scwrl_592110644.seq -o /var/tmp/from_scwrl_592110644.pdb > /var/tmp/scwrl_592110644.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_592110644.pdb # conformation set from SCWRL output # naming current conformation NN_PUT_lab_TS1-scwrl # ReadConformPDB reading from PDB file servers/POMYSL_TS1.pdb.gz looking for model 1 # Found a chain break before 138 # copying to AlignedFragments data structure # naming current conformation POMYSL_TS1 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_1192407100.pdb -s /var/tmp/to_scwrl_1192407100.seq -o /var/tmp/from_scwrl_1192407100.pdb > /var/tmp/scwrl_1192407100.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1192407100.pdb # conformation set from SCWRL output # naming current conformation POMYSL_TS1-scwrl # ReadConformPDB reading from PDB file servers/POMYSL_TS2.pdb.gz looking for model 1 # Found a chain break before 111 # copying to AlignedFragments data structure # naming current conformation POMYSL_TS2 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_1552833672.pdb -s /var/tmp/to_scwrl_1552833672.seq -o /var/tmp/from_scwrl_1552833672.pdb > /var/tmp/scwrl_1552833672.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1552833672.pdb # conformation set from SCWRL output # naming current conformation POMYSL_TS2-scwrl # ReadConformPDB reading from PDB file servers/POMYSL_TS3.pdb.gz looking for model 1 # Found a chain break before 128 # copying to AlignedFragments data structure # naming current conformation POMYSL_TS3 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_328312615.pdb -s /var/tmp/to_scwrl_328312615.seq -o /var/tmp/from_scwrl_328312615.pdb > /var/tmp/scwrl_328312615.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_328312615.pdb # conformation set from SCWRL output # naming current conformation POMYSL_TS3-scwrl # ReadConformPDB reading from PDB file servers/POMYSL_TS4.pdb.gz looking for model 1 # Found a chain break before 113 # copying to AlignedFragments data structure # naming current conformation POMYSL_TS4 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_764906743.pdb -s /var/tmp/to_scwrl_764906743.seq -o /var/tmp/from_scwrl_764906743.pdb > /var/tmp/scwrl_764906743.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_764906743.pdb # conformation set from SCWRL output # naming current conformation POMYSL_TS4-scwrl # ReadConformPDB reading from PDB file servers/POMYSL_TS5.pdb.gz looking for model 1 # Found a chain break before 84 # copying to AlignedFragments data structure # naming current conformation POMYSL_TS5 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_1110110276.pdb -s /var/tmp/to_scwrl_1110110276.seq -o /var/tmp/from_scwrl_1110110276.pdb > /var/tmp/scwrl_1110110276.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1110110276.pdb # conformation set from SCWRL output # naming current conformation POMYSL_TS5-scwrl # ReadConformPDB reading from PDB file servers/PROTINFO-AB_TS1.pdb.gz looking for model 1 # naming current conformation PROTINFO-AB_TS1 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_358809767.pdb -s /var/tmp/to_scwrl_358809767.seq -o /var/tmp/from_scwrl_358809767.pdb > /var/tmp/scwrl_358809767.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_358809767.pdb # conformation set from SCWRL output # naming current conformation PROTINFO-AB_TS1-scwrl # ReadConformPDB reading from PDB file servers/PROTINFO-AB_TS2.pdb.gz looking for model 1 # Found a chain break before 51 # copying to AlignedFragments data structure # naming current conformation PROTINFO-AB_TS2 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_320015687.pdb -s /var/tmp/to_scwrl_320015687.seq -o /var/tmp/from_scwrl_320015687.pdb > /var/tmp/scwrl_320015687.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_320015687.pdb # conformation set from SCWRL output # naming current conformation PROTINFO-AB_TS2-scwrl # ReadConformPDB reading from PDB file servers/PROTINFO-AB_TS3.pdb.gz looking for model 1 # Found a chain break before 47 # copying to AlignedFragments data structure # naming current conformation PROTINFO-AB_TS3 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_544044397.pdb -s /var/tmp/to_scwrl_544044397.seq -o /var/tmp/from_scwrl_544044397.pdb > /var/tmp/scwrl_544044397.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_544044397.pdb # conformation set from SCWRL output # naming current conformation PROTINFO-AB_TS3-scwrl # ReadConformPDB reading from PDB file servers/PROTINFO-AB_TS4.pdb.gz looking for model 1 # naming current conformation PROTINFO-AB_TS4 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_1011419388.pdb -s /var/tmp/to_scwrl_1011419388.seq -o /var/tmp/from_scwrl_1011419388.pdb > /var/tmp/scwrl_1011419388.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1011419388.pdb # conformation set from SCWRL output # naming current conformation PROTINFO-AB_TS4-scwrl # ReadConformPDB reading from PDB file servers/PROTINFO-AB_TS5.pdb.gz looking for model 1 # Found a chain break before 50 # copying to AlignedFragments data structure # naming current conformation PROTINFO-AB_TS5 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_797803574.pdb -s /var/tmp/to_scwrl_797803574.seq -o /var/tmp/from_scwrl_797803574.pdb > /var/tmp/scwrl_797803574.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_797803574.pdb # conformation set from SCWRL output # naming current conformation PROTINFO-AB_TS5-scwrl # ReadConformPDB reading from PDB file servers/PROTINFO_TS1.pdb.gz looking for model 1 # naming current conformation PROTINFO_TS1 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_235789334.pdb -s /var/tmp/to_scwrl_235789334.seq -o /var/tmp/from_scwrl_235789334.pdb > /var/tmp/scwrl_235789334.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_235789334.pdb # conformation set from SCWRL output # naming current conformation PROTINFO_TS1-scwrl # ReadConformPDB reading from PDB file servers/PROTINFO_TS2.pdb.gz looking for model 1 # Found a chain break before 111 # copying to AlignedFragments data structure # naming current conformation PROTINFO_TS2 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_1857543470.pdb -s /var/tmp/to_scwrl_1857543470.seq -o /var/tmp/from_scwrl_1857543470.pdb > /var/tmp/scwrl_1857543470.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1857543470.pdb # conformation set from SCWRL output # naming current conformation PROTINFO_TS2-scwrl # ReadConformPDB reading from PDB file servers/PROTINFO_TS3.pdb.gz looking for model 1 # naming current conformation PROTINFO_TS3 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_1338223509.pdb -s /var/tmp/to_scwrl_1338223509.seq -o /var/tmp/from_scwrl_1338223509.pdb > /var/tmp/scwrl_1338223509.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1338223509.pdb # conformation set from SCWRL output # naming current conformation PROTINFO_TS3-scwrl # ReadConformPDB reading from PDB file servers/PROTINFO_TS4.pdb.gz looking for model 1 # Found a chain break before 140 # copying to AlignedFragments data structure # naming current conformation PROTINFO_TS4 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_1090235942.pdb -s /var/tmp/to_scwrl_1090235942.seq -o /var/tmp/from_scwrl_1090235942.pdb > /var/tmp/scwrl_1090235942.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1090235942.pdb # conformation set from SCWRL output # naming current conformation PROTINFO_TS4-scwrl # ReadConformPDB reading from PDB file servers/PROTINFO_TS5.pdb.gz looking for model 1 # Found a chain break before 51 # copying to AlignedFragments data structure # naming current conformation PROTINFO_TS5 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_616531855.pdb -s /var/tmp/to_scwrl_616531855.seq -o /var/tmp/from_scwrl_616531855.pdb > /var/tmp/scwrl_616531855.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_616531855.pdb # conformation set from SCWRL output # naming current conformation PROTINFO_TS5-scwrl # ReadConformPDB reading from PDB file servers/Pcons6_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0357 can't currently be optimized by undertaker # naming current conformation Pcons6_TS1 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_177275129.pdb -s /var/tmp/to_scwrl_177275129.seq -o /var/tmp/from_scwrl_177275129.pdb > /var/tmp/scwrl_177275129.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_177275129.pdb # conformation set from SCWRL output # naming current conformation Pcons6_TS1-scwrl # ReadConformPDB reading from PDB file servers/Pcons6_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0357 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation Pcons6_TS2 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_303110075.pdb -s /var/tmp/to_scwrl_303110075.seq -o /var/tmp/from_scwrl_303110075.pdb > /var/tmp/scwrl_303110075.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_303110075.pdb # conformation set from SCWRL output # naming current conformation Pcons6_TS2-scwrl # ReadConformPDB reading from PDB file servers/Pcons6_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0357 can't currently be optimized by undertaker # naming current conformation Pcons6_TS3 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_777701114.pdb -s /var/tmp/to_scwrl_777701114.seq -o /var/tmp/from_scwrl_777701114.pdb > /var/tmp/scwrl_777701114.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_777701114.pdb # conformation set from SCWRL output # naming current conformation Pcons6_TS3-scwrl # ReadConformPDB reading from PDB file servers/Pcons6_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0357 can't currently be optimized by undertaker # naming current conformation Pcons6_TS4 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_1046957671.pdb -s /var/tmp/to_scwrl_1046957671.seq -o /var/tmp/from_scwrl_1046957671.pdb > /var/tmp/scwrl_1046957671.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1046957671.pdb # conformation set from SCWRL output # naming current conformation Pcons6_TS4-scwrl # ReadConformPDB reading from PDB file servers/Pcons6_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0357 can't currently be optimized by undertaker # naming current conformation Pcons6_TS5 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_155779939.pdb -s /var/tmp/to_scwrl_155779939.seq -o /var/tmp/from_scwrl_155779939.pdb > /var/tmp/scwrl_155779939.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_155779939.pdb # conformation set from SCWRL output # naming current conformation Pcons6_TS5-scwrl # ReadConformPDB reading from PDB file servers/Phyre-1_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0357 can't currently be optimized by undertaker # naming current conformation Phyre-1_TS1 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_1625088493.pdb -s /var/tmp/to_scwrl_1625088493.seq -o /var/tmp/from_scwrl_1625088493.pdb > /var/tmp/scwrl_1625088493.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1625088493.pdb # conformation set from SCWRL output # naming current conformation Phyre-1_TS1-scwrl # ReadConformPDB reading from PDB file servers/Phyre-2_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0357 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation Phyre-2_TS1 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_2072431136.pdb -s /var/tmp/to_scwrl_2072431136.seq -o /var/tmp/from_scwrl_2072431136.pdb > /var/tmp/scwrl_2072431136.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2072431136.pdb # conformation set from SCWRL output # naming current conformation Phyre-2_TS1-scwrl # ReadConformPDB reading from PDB file servers/Phyre-2_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0357 can't currently be optimized by undertaker # naming current conformation Phyre-2_TS2 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_634953456.pdb -s /var/tmp/to_scwrl_634953456.seq -o /var/tmp/from_scwrl_634953456.pdb > /var/tmp/scwrl_634953456.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_634953456.pdb # conformation set from SCWRL output # naming current conformation Phyre-2_TS2-scwrl # ReadConformPDB reading from PDB file servers/Phyre-2_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0357 can't currently be optimized by undertaker # naming current conformation Phyre-2_TS3 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_504656211.pdb -s /var/tmp/to_scwrl_504656211.seq -o /var/tmp/from_scwrl_504656211.pdb > /var/tmp/scwrl_504656211.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_504656211.pdb # conformation set from SCWRL output # naming current conformation Phyre-2_TS3-scwrl # ReadConformPDB reading from PDB file servers/Phyre-2_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0357 can't currently be optimized by undertaker # naming current conformation Phyre-2_TS4 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_493875117.pdb -s /var/tmp/to_scwrl_493875117.seq -o /var/tmp/from_scwrl_493875117.pdb > /var/tmp/scwrl_493875117.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_493875117.pdb # conformation set from SCWRL output # naming current conformation Phyre-2_TS4-scwrl # ReadConformPDB reading from PDB file servers/Phyre-2_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0357 can't currently be optimized by undertaker # naming current conformation Phyre-2_TS5 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_1355038335.pdb -s /var/tmp/to_scwrl_1355038335.seq -o /var/tmp/from_scwrl_1355038335.pdb > /var/tmp/scwrl_1355038335.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1355038335.pdb # conformation set from SCWRL output # naming current conformation Phyre-2_TS5-scwrl # ReadConformPDB reading from PDB file servers/Pmodeller6_TS1.pdb.gz looking for model 1 # Found a chain break before 113 # copying to AlignedFragments data structure # naming current conformation Pmodeller6_TS1 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_1860835394.pdb -s /var/tmp/to_scwrl_1860835394.seq -o /var/tmp/from_scwrl_1860835394.pdb > /var/tmp/scwrl_1860835394.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1860835394.pdb # conformation set from SCWRL output # naming current conformation Pmodeller6_TS1-scwrl # ReadConformPDB reading from PDB file servers/Pmodeller6_TS2.pdb.gz looking for model 1 # Found a chain break before 109 # copying to AlignedFragments data structure # naming current conformation Pmodeller6_TS2 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_1583671195.pdb -s /var/tmp/to_scwrl_1583671195.seq -o /var/tmp/from_scwrl_1583671195.pdb > /var/tmp/scwrl_1583671195.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1583671195.pdb # conformation set from SCWRL output # naming current conformation Pmodeller6_TS2-scwrl # ReadConformPDB reading from PDB file servers/Pmodeller6_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0357 can't currently be optimized by undertaker # naming current conformation Pmodeller6_TS3 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_1762260970.pdb -s /var/tmp/to_scwrl_1762260970.seq -o /var/tmp/from_scwrl_1762260970.pdb > /var/tmp/scwrl_1762260970.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1762260970.pdb # conformation set from SCWRL output # naming current conformation Pmodeller6_TS3-scwrl # ReadConformPDB reading from PDB file servers/Pmodeller6_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0357 can't currently be optimized by undertaker # naming current conformation Pmodeller6_TS4 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_15319249.pdb -s /var/tmp/to_scwrl_15319249.seq -o /var/tmp/from_scwrl_15319249.pdb > /var/tmp/scwrl_15319249.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_15319249.pdb # conformation set from SCWRL output # naming current conformation Pmodeller6_TS4-scwrl # ReadConformPDB reading from PDB file servers/Pmodeller6_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0357 can't currently be optimized by undertaker # naming current conformation Pmodeller6_TS5 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_28298192.pdb -s /var/tmp/to_scwrl_28298192.seq -o /var/tmp/from_scwrl_28298192.pdb > /var/tmp/scwrl_28298192.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_28298192.pdb # conformation set from SCWRL output # naming current conformation Pmodeller6_TS5-scwrl # ReadConformPDB reading from PDB file servers/RAPTOR-ACE_TS1.pdb.gz looking for model 1 # Found a chain break before 128 # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS1 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_807184424.pdb -s /var/tmp/to_scwrl_807184424.seq -o /var/tmp/from_scwrl_807184424.pdb > /var/tmp/scwrl_807184424.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_807184424.pdb # conformation set from SCWRL output # naming current conformation RAPTOR-ACE_TS1-scwrl # ReadConformPDB reading from PDB file servers/RAPTOR-ACE_TS2.pdb.gz looking for model 1 # Found a chain break before 132 # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS2 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_1568152922.pdb -s /var/tmp/to_scwrl_1568152922.seq -o /var/tmp/from_scwrl_1568152922.pdb > /var/tmp/scwrl_1568152922.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1568152922.pdb # conformation set from SCWRL output # naming current conformation RAPTOR-ACE_TS2-scwrl # ReadConformPDB reading from PDB file servers/RAPTOR-ACE_TS3.pdb.gz looking for model 1 # naming current conformation RAPTOR-ACE_TS3 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_356610807.pdb -s /var/tmp/to_scwrl_356610807.seq -o /var/tmp/from_scwrl_356610807.pdb > /var/tmp/scwrl_356610807.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_356610807.pdb # conformation set from SCWRL output # naming current conformation RAPTOR-ACE_TS3-scwrl # ReadConformPDB reading from PDB file servers/RAPTOR-ACE_TS4.pdb.gz looking for model 1 # Found a chain break before 121 # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS4 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_1572091167.pdb -s /var/tmp/to_scwrl_1572091167.seq -o /var/tmp/from_scwrl_1572091167.pdb > /var/tmp/scwrl_1572091167.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1572091167.pdb # conformation set from SCWRL output # naming current conformation RAPTOR-ACE_TS4-scwrl # ReadConformPDB reading from PDB file servers/RAPTOR-ACE_TS5.pdb.gz looking for model 1 # Found a chain break before 78 # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS5 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_530779552.pdb -s /var/tmp/to_scwrl_530779552.seq -o /var/tmp/from_scwrl_530779552.pdb > /var/tmp/scwrl_530779552.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_530779552.pdb # conformation set from SCWRL output # naming current conformation RAPTOR-ACE_TS5-scwrl # ReadConformPDB reading from PDB file servers/RAPTORESS_TS1.pdb.gz looking for model 1 # Found a chain break before 140 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS1 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_715420575.pdb -s /var/tmp/to_scwrl_715420575.seq -o /var/tmp/from_scwrl_715420575.pdb > /var/tmp/scwrl_715420575.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_715420575.pdb # conformation set from SCWRL output # naming current conformation RAPTORESS_TS1-scwrl # ReadConformPDB reading from PDB file servers/RAPTORESS_TS2.pdb.gz looking for model 1 # Found a chain break before 138 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS2 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_1892106854.pdb -s /var/tmp/to_scwrl_1892106854.seq -o /var/tmp/from_scwrl_1892106854.pdb > /var/tmp/scwrl_1892106854.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1892106854.pdb # conformation set from SCWRL output # naming current conformation RAPTORESS_TS2-scwrl # ReadConformPDB reading from PDB file servers/RAPTORESS_TS3.pdb.gz looking for model 1 # Found a chain break before 136 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS3 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_1074823948.pdb -s /var/tmp/to_scwrl_1074823948.seq -o /var/tmp/from_scwrl_1074823948.pdb > /var/tmp/scwrl_1074823948.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1074823948.pdb # conformation set from SCWRL output # naming current conformation RAPTORESS_TS3-scwrl # ReadConformPDB reading from PDB file servers/RAPTORESS_TS4.pdb.gz looking for model 1 # Found a chain break before 79 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS4 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_1726839962.pdb -s /var/tmp/to_scwrl_1726839962.seq -o /var/tmp/from_scwrl_1726839962.pdb > /var/tmp/scwrl_1726839962.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1726839962.pdb # conformation set from SCWRL output # naming current conformation RAPTORESS_TS4-scwrl # ReadConformPDB reading from PDB file servers/RAPTORESS_TS5.pdb.gz looking for model 1 # Found a chain break before 100 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS5 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_542426782.pdb -s /var/tmp/to_scwrl_542426782.seq -o /var/tmp/from_scwrl_542426782.pdb > /var/tmp/scwrl_542426782.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_542426782.pdb # conformation set from SCWRL output # naming current conformation RAPTORESS_TS5-scwrl # ReadConformPDB reading from PDB file servers/RAPTOR_TS1.pdb.gz looking for model 1 # Found a chain break before 128 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS1 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_1310613282.pdb -s /var/tmp/to_scwrl_1310613282.seq -o /var/tmp/from_scwrl_1310613282.pdb > /var/tmp/scwrl_1310613282.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1310613282.pdb # conformation set from SCWRL output # naming current conformation RAPTOR_TS1-scwrl # ReadConformPDB reading from PDB file servers/RAPTOR_TS2.pdb.gz looking for model 1 # Found a chain break before 131 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS2 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_1436899786.pdb -s /var/tmp/to_scwrl_1436899786.seq -o /var/tmp/from_scwrl_1436899786.pdb > /var/tmp/scwrl_1436899786.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1436899786.pdb # conformation set from SCWRL output # naming current conformation RAPTOR_TS2-scwrl # ReadConformPDB reading from PDB file servers/RAPTOR_TS3.pdb.gz looking for model 1 # Found a chain break before 57 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS3 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_1880650291.pdb -s /var/tmp/to_scwrl_1880650291.seq -o /var/tmp/from_scwrl_1880650291.pdb > /var/tmp/scwrl_1880650291.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1880650291.pdb # conformation set from SCWRL output # naming current conformation RAPTOR_TS3-scwrl # ReadConformPDB reading from PDB file servers/RAPTOR_TS4.pdb.gz looking for model 1 # Found a chain break before 106 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS4 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_253365578.pdb -s /var/tmp/to_scwrl_253365578.seq -o /var/tmp/from_scwrl_253365578.pdb > /var/tmp/scwrl_253365578.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_253365578.pdb # conformation set from SCWRL output # naming current conformation RAPTOR_TS4-scwrl # ReadConformPDB reading from PDB file servers/RAPTOR_TS5.pdb.gz looking for model 1 # Found a chain break before 79 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS5 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_2053431641.pdb -s /var/tmp/to_scwrl_2053431641.seq -o /var/tmp/from_scwrl_2053431641.pdb > /var/tmp/scwrl_2053431641.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2053431641.pdb # conformation set from SCWRL output # naming current conformation RAPTOR_TS5-scwrl # ReadConformPDB reading from PDB file servers/ROBETTA_TS1.pdb.gz looking for model 1 # Found a chain break before 106 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS1 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_2057925420.pdb -s /var/tmp/to_scwrl_2057925420.seq -o /var/tmp/from_scwrl_2057925420.pdb > /var/tmp/scwrl_2057925420.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2057925420.pdb # conformation set from SCWRL output # naming current conformation ROBETTA_TS1-scwrl # ReadConformPDB reading from PDB file servers/ROBETTA_TS2.pdb.gz looking for model 1 # Found a chain break before 129 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS2 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_556475653.pdb -s /var/tmp/to_scwrl_556475653.seq -o /var/tmp/from_scwrl_556475653.pdb > /var/tmp/scwrl_556475653.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_556475653.pdb # conformation set from SCWRL output # naming current conformation ROBETTA_TS2-scwrl # ReadConformPDB reading from PDB file servers/ROBETTA_TS3.pdb.gz looking for model 1 # Found a chain break before 109 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS3 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_683649109.pdb -s /var/tmp/to_scwrl_683649109.seq -o /var/tmp/from_scwrl_683649109.pdb > /var/tmp/scwrl_683649109.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_683649109.pdb # conformation set from SCWRL output # naming current conformation ROBETTA_TS3-scwrl # ReadConformPDB reading from PDB file servers/ROBETTA_TS4.pdb.gz looking for model 1 # Found a chain break before 113 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS4 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_957399444.pdb -s /var/tmp/to_scwrl_957399444.seq -o /var/tmp/from_scwrl_957399444.pdb > /var/tmp/scwrl_957399444.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_957399444.pdb # conformation set from SCWRL output # naming current conformation ROBETTA_TS4-scwrl # ReadConformPDB reading from PDB file servers/ROBETTA_TS5.pdb.gz looking for model 1 # Found a chain break before 113 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS5 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_712255593.pdb -s /var/tmp/to_scwrl_712255593.seq -o /var/tmp/from_scwrl_712255593.pdb > /var/tmp/scwrl_712255593.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_712255593.pdb # conformation set from SCWRL output # naming current conformation ROBETTA_TS5-scwrl # ReadConformPDB reading from PDB file servers/ROKKY_TS1.pdb.gz looking for model 1 # Found a chain break before 110 # copying to AlignedFragments data structure # naming current conformation ROKKY_TS1 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_161253955.pdb -s /var/tmp/to_scwrl_161253955.seq -o /var/tmp/from_scwrl_161253955.pdb > /var/tmp/scwrl_161253955.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_161253955.pdb # conformation set from SCWRL output # naming current conformation ROKKY_TS1-scwrl # ReadConformPDB reading from PDB file servers/ROKKY_TS2.pdb.gz looking for model 1 # Found a chain break before 79 # copying to AlignedFragments data structure # naming current conformation ROKKY_TS2 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_882346934.pdb -s /var/tmp/to_scwrl_882346934.seq -o /var/tmp/from_scwrl_882346934.pdb > /var/tmp/scwrl_882346934.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_882346934.pdb # conformation set from SCWRL output # naming current conformation ROKKY_TS2-scwrl # ReadConformPDB reading from PDB file servers/ROKKY_TS3.pdb.gz looking for model 1 # Found a chain break before 122 # copying to AlignedFragments data structure # naming current conformation ROKKY_TS3 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_1347209048.pdb -s /var/tmp/to_scwrl_1347209048.seq -o /var/tmp/from_scwrl_1347209048.pdb > /var/tmp/scwrl_1347209048.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1347209048.pdb # conformation set from SCWRL output # naming current conformation ROKKY_TS3-scwrl # ReadConformPDB reading from PDB file servers/ROKKY_TS4.pdb.gz looking for model 1 # Found a chain break before 123 # copying to AlignedFragments data structure # naming current conformation ROKKY_TS4 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_665910166.pdb -s /var/tmp/to_scwrl_665910166.seq -o /var/tmp/from_scwrl_665910166.pdb > /var/tmp/scwrl_665910166.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_665910166.pdb # conformation set from SCWRL output # naming current conformation ROKKY_TS4-scwrl # ReadConformPDB reading from PDB file servers/ROKKY_TS5.pdb.gz looking for model 1 # Found a chain break before 59 # copying to AlignedFragments data structure # naming current conformation ROKKY_TS5 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_1376222050.pdb -s /var/tmp/to_scwrl_1376222050.seq -o /var/tmp/from_scwrl_1376222050.pdb > /var/tmp/scwrl_1376222050.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1376222050.pdb # conformation set from SCWRL output # naming current conformation ROKKY_TS5-scwrl # ReadConformPDB reading from PDB file servers/SAM-T02_AL1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0357 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL1 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_554763737.pdb -s /var/tmp/to_scwrl_554763737.seq -o /var/tmp/from_scwrl_554763737.pdb > /var/tmp/scwrl_554763737.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_554763737.pdb # conformation set from SCWRL output # naming current conformation SAM-T02_AL1-scwrl # ReadConformPDB reading from PDB file servers/SAM-T02_AL2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0357 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL2 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_379261913.pdb -s /var/tmp/to_scwrl_379261913.seq -o /var/tmp/from_scwrl_379261913.pdb > /var/tmp/scwrl_379261913.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_379261913.pdb # conformation set from SCWRL output # naming current conformation SAM-T02_AL2-scwrl # ReadConformPDB reading from PDB file servers/SAM-T02_AL3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0357 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL3 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_812409599.pdb -s /var/tmp/to_scwrl_812409599.seq -o /var/tmp/from_scwrl_812409599.pdb > /var/tmp/scwrl_812409599.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_812409599.pdb # conformation set from SCWRL output # naming current conformation SAM-T02_AL3-scwrl # ReadConformPDB reading from PDB file servers/SAM-T02_AL4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0357 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL4 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_169541061.pdb -s /var/tmp/to_scwrl_169541061.seq -o /var/tmp/from_scwrl_169541061.pdb > /var/tmp/scwrl_169541061.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_169541061.pdb # conformation set from SCWRL output # naming current conformation SAM-T02_AL4-scwrl # ReadConformPDB reading from PDB file servers/SAM-T02_AL5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0357 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL5 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_394581163.pdb -s /var/tmp/to_scwrl_394581163.seq -o /var/tmp/from_scwrl_394581163.pdb > /var/tmp/scwrl_394581163.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_394581163.pdb # conformation set from SCWRL output # naming current conformation SAM-T02_AL5-scwrl # ReadConformPDB reading from PDB file servers/SAM-T99_AL1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0357 can't currently be optimized by undertaker # naming current conformation SAM-T99_AL1 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_840707791.pdb -s /var/tmp/to_scwrl_840707791.seq -o /var/tmp/from_scwrl_840707791.pdb > /var/tmp/scwrl_840707791.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_840707791.pdb # conformation set from SCWRL output # naming current conformation SAM-T99_AL1-scwrl # ReadConformPDB reading from PDB file servers/SAM-T99_AL2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0357 can't currently be optimized by undertaker # naming current conformation SAM-T99_AL2 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_976725485.pdb -s /var/tmp/to_scwrl_976725485.seq -o /var/tmp/from_scwrl_976725485.pdb > /var/tmp/scwrl_976725485.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_976725485.pdb # conformation set from SCWRL output # naming current conformation SAM-T99_AL2-scwrl # ReadConformPDB reading from PDB file servers/SAM-T99_AL3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0357 can't currently be optimized by undertaker # naming current conformation SAM-T99_AL3 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_1962734085.pdb -s /var/tmp/to_scwrl_1962734085.seq -o /var/tmp/from_scwrl_1962734085.pdb > /var/tmp/scwrl_1962734085.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1962734085.pdb # conformation set from SCWRL output # naming current conformation SAM-T99_AL3-scwrl # ReadConformPDB reading from PDB file servers/SAM_T06_server_TS1.pdb.gz looking for model 1 # Found a chain break before 139 # copying to AlignedFragments data structure # naming current conformation SAM_T06_server_TS1 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_1197318598.pdb -s /var/tmp/to_scwrl_1197318598.seq -o /var/tmp/from_scwrl_1197318598.pdb > /var/tmp/scwrl_1197318598.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1197318598.pdb # conformation set from SCWRL output # naming current conformation SAM_T06_server_TS1-scwrl # ReadConformPDB reading from PDB file servers/SAM_T06_server_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0357 can't currently be optimized by undertaker # naming current conformation SAM_T06_server_TS2 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_401333005.pdb -s /var/tmp/to_scwrl_401333005.seq -o /var/tmp/from_scwrl_401333005.pdb > /var/tmp/scwrl_401333005.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_401333005.pdb # conformation set from SCWRL output # naming current conformation SAM_T06_server_TS2-scwrl # ReadConformPDB reading from PDB file servers/SAM_T06_server_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0357 can't currently be optimized by undertaker # naming current conformation SAM_T06_server_TS3 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_346029990.pdb -s /var/tmp/to_scwrl_346029990.seq -o /var/tmp/from_scwrl_346029990.pdb > /var/tmp/scwrl_346029990.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_346029990.pdb # conformation set from SCWRL output # naming current conformation SAM_T06_server_TS3-scwrl # ReadConformPDB reading from PDB file servers/SAM_T06_server_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0357 can't currently be optimized by undertaker # naming current conformation SAM_T06_server_TS4 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_1912739173.pdb -s /var/tmp/to_scwrl_1912739173.seq -o /var/tmp/from_scwrl_1912739173.pdb > /var/tmp/scwrl_1912739173.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1912739173.pdb # conformation set from SCWRL output # naming current conformation SAM_T06_server_TS4-scwrl # ReadConformPDB reading from PDB file servers/SAM_T06_server_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0357 can't currently be optimized by undertaker # naming current conformation SAM_T06_server_TS5 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_145956213.pdb -s /var/tmp/to_scwrl_145956213.seq -o /var/tmp/from_scwrl_145956213.pdb > /var/tmp/scwrl_145956213.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_145956213.pdb # conformation set from SCWRL output # naming current conformation SAM_T06_server_TS5-scwrl # ReadConformPDB reading from PDB file servers/SP3_TS1.pdb.gz looking for model 1 # naming current conformation SP3_TS1 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_1420853938.pdb -s /var/tmp/to_scwrl_1420853938.seq -o /var/tmp/from_scwrl_1420853938.pdb > /var/tmp/scwrl_1420853938.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1420853938.pdb # conformation set from SCWRL output # naming current conformation SP3_TS1-scwrl # ReadConformPDB reading from PDB file servers/SP3_TS2.pdb.gz looking for model 1 # Found a chain break before 78 # copying to AlignedFragments data structure # naming current conformation SP3_TS2 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_1492095488.pdb -s /var/tmp/to_scwrl_1492095488.seq -o /var/tmp/from_scwrl_1492095488.pdb > /var/tmp/scwrl_1492095488.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1492095488.pdb # conformation set from SCWRL output # naming current conformation SP3_TS2-scwrl # ReadConformPDB reading from PDB file servers/SP3_TS3.pdb.gz looking for model 1 # Found a chain break before 102 # copying to AlignedFragments data structure # naming current conformation SP3_TS3 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_688382995.pdb -s /var/tmp/to_scwrl_688382995.seq -o /var/tmp/from_scwrl_688382995.pdb > /var/tmp/scwrl_688382995.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_688382995.pdb # conformation set from SCWRL output # naming current conformation SP3_TS3-scwrl # ReadConformPDB reading from PDB file servers/SP3_TS4.pdb.gz looking for model 1 # Found a chain break before 89 # copying to AlignedFragments data structure # naming current conformation SP3_TS4 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_583983575.pdb -s /var/tmp/to_scwrl_583983575.seq -o /var/tmp/from_scwrl_583983575.pdb > /var/tmp/scwrl_583983575.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_583983575.pdb # conformation set from SCWRL output # naming current conformation SP3_TS4-scwrl # ReadConformPDB reading from PDB file servers/SP3_TS5.pdb.gz looking for model 1 # Found a chain break before 121 # copying to AlignedFragments data structure # naming current conformation SP3_TS5 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_781511628.pdb -s /var/tmp/to_scwrl_781511628.seq -o /var/tmp/from_scwrl_781511628.pdb > /var/tmp/scwrl_781511628.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_781511628.pdb # conformation set from SCWRL output # naming current conformation SP3_TS5-scwrl # ReadConformPDB reading from PDB file servers/SP4_TS1.pdb.gz looking for model 1 # Found a chain break before 132 # copying to AlignedFragments data structure # naming current conformation SP4_TS1 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_421549639.pdb -s /var/tmp/to_scwrl_421549639.seq -o /var/tmp/from_scwrl_421549639.pdb > /var/tmp/scwrl_421549639.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_421549639.pdb # conformation set from SCWRL output # naming current conformation SP4_TS1-scwrl # ReadConformPDB reading from PDB file servers/SP4_TS2.pdb.gz looking for model 1 # Found a chain break before 87 # copying to AlignedFragments data structure # naming current conformation SP4_TS2 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_837349153.pdb -s /var/tmp/to_scwrl_837349153.seq -o /var/tmp/from_scwrl_837349153.pdb > /var/tmp/scwrl_837349153.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_837349153.pdb # conformation set from SCWRL output # naming current conformation SP4_TS2-scwrl # ReadConformPDB reading from PDB file servers/SP4_TS3.pdb.gz looking for model 1 # naming current conformation SP4_TS3 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_687459623.pdb -s /var/tmp/to_scwrl_687459623.seq -o /var/tmp/from_scwrl_687459623.pdb > /var/tmp/scwrl_687459623.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_687459623.pdb # conformation set from SCWRL output # naming current conformation SP4_TS3-scwrl # ReadConformPDB reading from PDB file servers/SP4_TS4.pdb.gz looking for model 1 # naming current conformation SP4_TS4 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_331991412.pdb -s /var/tmp/to_scwrl_331991412.seq -o /var/tmp/from_scwrl_331991412.pdb > /var/tmp/scwrl_331991412.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_331991412.pdb # conformation set from SCWRL output # naming current conformation SP4_TS4-scwrl # ReadConformPDB reading from PDB file servers/SP4_TS5.pdb.gz looking for model 1 # Found a chain break before 36 # copying to AlignedFragments data structure # naming current conformation SP4_TS5 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_1393824806.pdb -s /var/tmp/to_scwrl_1393824806.seq -o /var/tmp/from_scwrl_1393824806.pdb > /var/tmp/scwrl_1393824806.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1393824806.pdb # conformation set from SCWRL output # naming current conformation SP4_TS5-scwrl # ReadConformPDB reading from PDB file servers/SPARKS2_TS1.pdb.gz looking for model 1 # Found a chain break before 99 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS1 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_1371108731.pdb -s /var/tmp/to_scwrl_1371108731.seq -o /var/tmp/from_scwrl_1371108731.pdb > /var/tmp/scwrl_1371108731.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1371108731.pdb # conformation set from SCWRL output # naming current conformation SPARKS2_TS1-scwrl # ReadConformPDB reading from PDB file servers/SPARKS2_TS2.pdb.gz looking for model 1 # Found a chain break before 132 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS2 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_1289390856.pdb -s /var/tmp/to_scwrl_1289390856.seq -o /var/tmp/from_scwrl_1289390856.pdb > /var/tmp/scwrl_1289390856.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1289390856.pdb # conformation set from SCWRL output # naming current conformation SPARKS2_TS2-scwrl # ReadConformPDB reading from PDB file servers/SPARKS2_TS3.pdb.gz looking for model 1 # Found a chain break before 102 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS3 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_2106080399.pdb -s /var/tmp/to_scwrl_2106080399.seq -o /var/tmp/from_scwrl_2106080399.pdb > /var/tmp/scwrl_2106080399.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2106080399.pdb # conformation set from SCWRL output # naming current conformation SPARKS2_TS3-scwrl # ReadConformPDB reading from PDB file servers/SPARKS2_TS4.pdb.gz looking for model 1 # Found a chain break before 55 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS4 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_1532362686.pdb -s /var/tmp/to_scwrl_1532362686.seq -o /var/tmp/from_scwrl_1532362686.pdb > /var/tmp/scwrl_1532362686.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1532362686.pdb # conformation set from SCWRL output # naming current conformation SPARKS2_TS4-scwrl # ReadConformPDB reading from PDB file servers/SPARKS2_TS5.pdb.gz looking for model 1 # naming current conformation SPARKS2_TS5 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_24254143.pdb -s /var/tmp/to_scwrl_24254143.seq -o /var/tmp/from_scwrl_24254143.pdb > /var/tmp/scwrl_24254143.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_24254143.pdb # conformation set from SCWRL output # naming current conformation SPARKS2_TS5-scwrl # ReadConformPDB reading from PDB file servers/UNI-EID_bnmx_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0357 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS1 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_1305805800.pdb -s /var/tmp/to_scwrl_1305805800.seq -o /var/tmp/from_scwrl_1305805800.pdb > /var/tmp/scwrl_1305805800.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1305805800.pdb # conformation set from SCWRL output # naming current conformation UNI-EID_bnmx_TS1-scwrl # ReadConformPDB reading from PDB file servers/UNI-EID_bnmx_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0357 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS2 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_50789205.pdb -s /var/tmp/to_scwrl_50789205.seq -o /var/tmp/from_scwrl_50789205.pdb > /var/tmp/scwrl_50789205.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_50789205.pdb # conformation set from SCWRL output # naming current conformation UNI-EID_bnmx_TS2-scwrl # ReadConformPDB reading from PDB file servers/UNI-EID_bnmx_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0357 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS3 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_1400476193.pdb -s /var/tmp/to_scwrl_1400476193.seq -o /var/tmp/from_scwrl_1400476193.pdb > /var/tmp/scwrl_1400476193.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1400476193.pdb # conformation set from SCWRL output # naming current conformation UNI-EID_bnmx_TS3-scwrl # ReadConformPDB reading from PDB file servers/UNI-EID_bnmx_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0357 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS4 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_1860569537.pdb -s /var/tmp/to_scwrl_1860569537.seq -o /var/tmp/from_scwrl_1860569537.pdb > /var/tmp/scwrl_1860569537.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1860569537.pdb # conformation set from SCWRL output # naming current conformation UNI-EID_bnmx_TS4-scwrl # ReadConformPDB reading from PDB file servers/UNI-EID_bnmx_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0357 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS5 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_430051118.pdb -s /var/tmp/to_scwrl_430051118.seq -o /var/tmp/from_scwrl_430051118.pdb > /var/tmp/scwrl_430051118.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_430051118.pdb # conformation set from SCWRL output # naming current conformation UNI-EID_bnmx_TS5-scwrl # ReadConformPDB reading from PDB file servers/UNI-EID_expm_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0357 can't currently be optimized by undertaker # naming current conformation UNI-EID_expm_TS1 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_65402145.pdb -s /var/tmp/to_scwrl_65402145.seq -o /var/tmp/from_scwrl_65402145.pdb > /var/tmp/scwrl_65402145.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_65402145.pdb # conformation set from SCWRL output # naming current conformation UNI-EID_expm_TS1-scwrl # ReadConformPDB reading from PDB file servers/UNI-EID_sfst_AL1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0357 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL1 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_2030110598.pdb -s /var/tmp/to_scwrl_2030110598.seq -o /var/tmp/from_scwrl_2030110598.pdb > /var/tmp/scwrl_2030110598.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2030110598.pdb # conformation set from SCWRL output # naming current conformation UNI-EID_sfst_AL1-scwrl # ReadConformPDB reading from PDB file servers/UNI-EID_sfst_AL2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0357 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL2 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_824632281.pdb -s /var/tmp/to_scwrl_824632281.seq -o /var/tmp/from_scwrl_824632281.pdb > /var/tmp/scwrl_824632281.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_824632281.pdb # conformation set from SCWRL output # naming current conformation UNI-EID_sfst_AL2-scwrl # ReadConformPDB reading from PDB file servers/UNI-EID_sfst_AL3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0357 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL3 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_906109936.pdb -s /var/tmp/to_scwrl_906109936.seq -o /var/tmp/from_scwrl_906109936.pdb > /var/tmp/scwrl_906109936.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_906109936.pdb # conformation set from SCWRL output # naming current conformation UNI-EID_sfst_AL3-scwrl # ReadConformPDB reading from PDB file servers/Zhang-Server_TS1.pdb.gz looking for model 1 # Found a chain break before 116 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS1 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_859352437.pdb -s /var/tmp/to_scwrl_859352437.seq -o /var/tmp/from_scwrl_859352437.pdb > /var/tmp/scwrl_859352437.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_859352437.pdb # conformation set from SCWRL output # naming current conformation Zhang-Server_TS1-scwrl # ReadConformPDB reading from PDB file servers/Zhang-Server_TS2.pdb.gz looking for model 1 # Found a chain break before 136 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS2 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_639882719.pdb -s /var/tmp/to_scwrl_639882719.seq -o /var/tmp/from_scwrl_639882719.pdb > /var/tmp/scwrl_639882719.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_639882719.pdb # conformation set from SCWRL output # naming current conformation Zhang-Server_TS2-scwrl # ReadConformPDB reading from PDB file servers/Zhang-Server_TS3.pdb.gz looking for model 1 # Found a chain break before 136 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS3 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_2103428534.pdb -s /var/tmp/to_scwrl_2103428534.seq -o /var/tmp/from_scwrl_2103428534.pdb > /var/tmp/scwrl_2103428534.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2103428534.pdb # conformation set from SCWRL output # naming current conformation Zhang-Server_TS3-scwrl # ReadConformPDB reading from PDB file servers/Zhang-Server_TS4.pdb.gz looking for model 1 # Found a chain break before 105 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS4 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_1260685441.pdb -s /var/tmp/to_scwrl_1260685441.seq -o /var/tmp/from_scwrl_1260685441.pdb > /var/tmp/scwrl_1260685441.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1260685441.pdb # conformation set from SCWRL output # naming current conformation Zhang-Server_TS4-scwrl # ReadConformPDB reading from PDB file servers/Zhang-Server_TS5.pdb.gz looking for model 1 # Found a chain break before 115 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS5 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_985912709.pdb -s /var/tmp/to_scwrl_985912709.seq -o /var/tmp/from_scwrl_985912709.pdb > /var/tmp/scwrl_985912709.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_985912709.pdb # conformation set from SCWRL output # naming current conformation Zhang-Server_TS5-scwrl # ReadConformPDB reading from PDB file servers/beautshot_TS1.pdb.gz looking for model 1 # Found a chain break before 136 # copying to AlignedFragments data structure # naming current conformation beautshot_TS1 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_1868684060.pdb -s /var/tmp/to_scwrl_1868684060.seq -o /var/tmp/from_scwrl_1868684060.pdb > /var/tmp/scwrl_1868684060.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1868684060.pdb # conformation set from SCWRL output # naming current conformation beautshot_TS1-scwrl # ReadConformPDB reading from PDB file servers/beautshotbase_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0357 can't currently be optimized by undertaker # naming current conformation beautshotbase_TS1 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_1406641654.pdb -s /var/tmp/to_scwrl_1406641654.seq -o /var/tmp/from_scwrl_1406641654.pdb > /var/tmp/scwrl_1406641654.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1406641654.pdb # conformation set from SCWRL output # naming current conformation beautshotbase_TS1-scwrl # ReadConformPDB reading from PDB file servers/forecast-s_AL1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0357 can't currently be optimized by undertaker # naming current conformation forecast-s_AL1 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_259283001.pdb -s /var/tmp/to_scwrl_259283001.seq -o /var/tmp/from_scwrl_259283001.pdb > /var/tmp/scwrl_259283001.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_259283001.pdb # conformation set from SCWRL output # naming current conformation forecast-s_AL1-scwrl # ReadConformPDB reading from PDB file servers/forecast-s_AL2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0357 can't currently be optimized by undertaker # naming current conformation forecast-s_AL2 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_1213295902.pdb -s /var/tmp/to_scwrl_1213295902.seq -o /var/tmp/from_scwrl_1213295902.pdb > /var/tmp/scwrl_1213295902.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1213295902.pdb # conformation set from SCWRL output # naming current conformation forecast-s_AL2-scwrl # ReadConformPDB reading from PDB file servers/forecast-s_AL3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0357 can't currently be optimized by undertaker # naming current conformation forecast-s_AL3 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_2095024649.pdb -s /var/tmp/to_scwrl_2095024649.seq -o /var/tmp/from_scwrl_2095024649.pdb > /var/tmp/scwrl_2095024649.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2095024649.pdb # conformation set from SCWRL output # naming current conformation forecast-s_AL3-scwrl # ReadConformPDB reading from PDB file servers/forecast-s_AL4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0357 can't currently be optimized by undertaker # naming current conformation forecast-s_AL4 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_843266576.pdb -s /var/tmp/to_scwrl_843266576.seq -o /var/tmp/from_scwrl_843266576.pdb > /var/tmp/scwrl_843266576.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_843266576.pdb # conformation set from SCWRL output # naming current conformation forecast-s_AL4-scwrl # ReadConformPDB reading from PDB file servers/forecast-s_AL5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0357 can't currently be optimized by undertaker # naming current conformation forecast-s_AL5 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_1994807530.pdb -s /var/tmp/to_scwrl_1994807530.seq -o /var/tmp/from_scwrl_1994807530.pdb > /var/tmp/scwrl_1994807530.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1994807530.pdb # conformation set from SCWRL output # naming current conformation forecast-s_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 127 ; scwrl3 -i /var/tmp/to_scwrl_369090641.pdb -s /var/tmp/to_scwrl_369090641.seq -o /var/tmp/from_scwrl_369090641.pdb > /var/tmp/scwrl_369090641.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_369090641.pdb # conformation set from SCWRL output # naming current conformation karypis.srv.2_TS1-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv.2_TS2.pdb.gz looking for model 1 # Found a chain break before 51 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS2 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_1680615728.pdb -s /var/tmp/to_scwrl_1680615728.seq -o /var/tmp/from_scwrl_1680615728.pdb > /var/tmp/scwrl_1680615728.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1680615728.pdb # conformation set from SCWRL output # naming current conformation karypis.srv.2_TS2-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv.2_TS3.pdb.gz looking for model 1 # Found a chain break before 81 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS3 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_534783506.pdb -s /var/tmp/to_scwrl_534783506.seq -o /var/tmp/from_scwrl_534783506.pdb > /var/tmp/scwrl_534783506.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_534783506.pdb # conformation set from SCWRL output # naming current conformation karypis.srv.2_TS3-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv.2_TS4.pdb.gz looking for model 1 # Found a chain break before 64 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS4 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_701082054.pdb -s /var/tmp/to_scwrl_701082054.seq -o /var/tmp/from_scwrl_701082054.pdb > /var/tmp/scwrl_701082054.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_701082054.pdb # conformation set from SCWRL output # naming current conformation karypis.srv.2_TS4-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv.2_TS5.pdb.gz looking for model 1 # Found a chain break before 6 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS5 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_926956888.pdb -s /var/tmp/to_scwrl_926956888.seq -o /var/tmp/from_scwrl_926956888.pdb > /var/tmp/scwrl_926956888.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_926956888.pdb # conformation set from SCWRL output # naming current conformation karypis.srv.2_TS5-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv.4_TS1.pdb.gz looking for model 1 WARNING: atoms too close: (T0357)V64.O and (T0357)G65.N only 0.000 apart, marking (T0357)G65.N as missing # WARNING: incomplete conformation T0357 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS1 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_1905892237.pdb -s /var/tmp/to_scwrl_1905892237.seq -o /var/tmp/from_scwrl_1905892237.pdb > /var/tmp/scwrl_1905892237.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1905892237.pdb # conformation set from SCWRL output # naming current conformation karypis.srv.4_TS1-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv.4_TS2.pdb.gz looking for model 1 WARNING: atoms too close: (T0357)P57.O and (T0357)G58.N only 0.000 apart, marking (T0357)G58.N as missing WARNING: atoms too close: (T0357)L134.O and (T0357)E135.N only 0.000 apart, marking (T0357)E135.N as missing # WARNING: incomplete conformation T0357 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS2 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_1990472910.pdb -s /var/tmp/to_scwrl_1990472910.seq -o /var/tmp/from_scwrl_1990472910.pdb > /var/tmp/scwrl_1990472910.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1990472910.pdb # conformation set from SCWRL output # naming current conformation karypis.srv.4_TS2-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv.4_TS3.pdb.gz looking for model 1 WARNING: atoms too close: (T0357)K85.O and (T0357)K86.N only 0.000 apart, marking (T0357)K86.N as missing # WARNING: incomplete conformation T0357 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS3 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_885553640.pdb -s /var/tmp/to_scwrl_885553640.seq -o /var/tmp/from_scwrl_885553640.pdb > /var/tmp/scwrl_885553640.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_885553640.pdb # conformation set from SCWRL output # naming current conformation karypis.srv.4_TS3-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv.4_TS4.pdb.gz looking for model 1 WARNING: atoms too close: (T0357)P57.O and (T0357)G58.N only 0.000 apart, marking (T0357)G58.N as missing # WARNING: incomplete conformation T0357 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS4 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_1290771276.pdb -s /var/tmp/to_scwrl_1290771276.seq -o /var/tmp/from_scwrl_1290771276.pdb > /var/tmp/scwrl_1290771276.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1290771276.pdb # conformation set from SCWRL output # naming current conformation karypis.srv.4_TS4-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv.4_TS5.pdb.gz looking for model 1 # Found a chain break before 138 # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS5 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_2014727053.pdb -s /var/tmp/to_scwrl_2014727053.seq -o /var/tmp/from_scwrl_2014727053.pdb > /var/tmp/scwrl_2014727053.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2014727053.pdb # conformation set from SCWRL output # naming current conformation karypis.srv.4_TS5-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0357 can't currently be optimized by undertaker # naming current conformation karypis.srv_TS1 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_43875793.pdb -s /var/tmp/to_scwrl_43875793.seq -o /var/tmp/from_scwrl_43875793.pdb > /var/tmp/scwrl_43875793.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_43875793.pdb # conformation set from SCWRL output # naming current conformation karypis.srv_TS1-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0357 can't currently be optimized by undertaker # naming current conformation karypis.srv_TS2 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_1341560481.pdb -s /var/tmp/to_scwrl_1341560481.seq -o /var/tmp/from_scwrl_1341560481.pdb > /var/tmp/scwrl_1341560481.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1341560481.pdb # conformation set from SCWRL output # naming current conformation karypis.srv_TS2-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0357 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 127 ; scwrl3 -i /var/tmp/to_scwrl_1267719599.pdb -s /var/tmp/to_scwrl_1267719599.seq -o /var/tmp/from_scwrl_1267719599.pdb > /var/tmp/scwrl_1267719599.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1267719599.pdb # conformation set from SCWRL output # naming current conformation karypis.srv_TS3-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0357 can't currently be optimized by undertaker # naming current conformation karypis.srv_TS4 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_1904445331.pdb -s /var/tmp/to_scwrl_1904445331.seq -o /var/tmp/from_scwrl_1904445331.pdb > /var/tmp/scwrl_1904445331.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1904445331.pdb # conformation set from SCWRL output # naming current conformation karypis.srv_TS4-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0357 can't currently be optimized by undertaker # naming current conformation karypis.srv_TS5 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_1771611600.pdb -s /var/tmp/to_scwrl_1771611600.seq -o /var/tmp/from_scwrl_1771611600.pdb > /var/tmp/scwrl_1771611600.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1771611600.pdb # conformation set from SCWRL output # naming current conformation karypis.srv_TS5-scwrl # ReadConformPDB reading from PDB file servers/keasar-server_TS1.pdb.gz looking for model 1 # naming current conformation keasar-server_TS1 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_1333121744.pdb -s /var/tmp/to_scwrl_1333121744.seq -o /var/tmp/from_scwrl_1333121744.pdb > /var/tmp/scwrl_1333121744.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1333121744.pdb # conformation set from SCWRL output # naming current conformation keasar-server_TS1-scwrl # ReadConformPDB reading from PDB file servers/keasar-server_TS2.pdb.gz looking for model 1 # Found a chain break before 8 # copying to AlignedFragments data structure # naming current conformation keasar-server_TS2 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_1787072282.pdb -s /var/tmp/to_scwrl_1787072282.seq -o /var/tmp/from_scwrl_1787072282.pdb > /var/tmp/scwrl_1787072282.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1787072282.pdb # conformation set from SCWRL output # naming current conformation keasar-server_TS2-scwrl # ReadConformPDB reading from PDB file servers/keasar-server_TS3.pdb.gz looking for model 1 # naming current conformation keasar-server_TS3 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_448760234.pdb -s /var/tmp/to_scwrl_448760234.seq -o /var/tmp/from_scwrl_448760234.pdb > /var/tmp/scwrl_448760234.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_448760234.pdb # conformation set from SCWRL output # naming current conformation keasar-server_TS3-scwrl # ReadConformPDB reading from PDB file servers/keasar-server_TS4.pdb.gz looking for model 1 # naming current conformation keasar-server_TS4 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_91748033.pdb -s /var/tmp/to_scwrl_91748033.seq -o /var/tmp/from_scwrl_91748033.pdb > /var/tmp/scwrl_91748033.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_91748033.pdb # conformation set from SCWRL output # naming current conformation keasar-server_TS4-scwrl # ReadConformPDB reading from PDB file servers/keasar-server_TS5.pdb.gz looking for model 1 # naming current conformation keasar-server_TS5 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_498941072.pdb -s /var/tmp/to_scwrl_498941072.seq -o /var/tmp/from_scwrl_498941072.pdb > /var/tmp/scwrl_498941072.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_498941072.pdb # conformation set from SCWRL output # naming current conformation keasar-server_TS5-scwrl # ReadConformPDB reading from PDB file servers/mGen-3D_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0357 can't currently be optimized by undertaker # naming current conformation mGen-3D_TS1 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_1088642953.pdb -s /var/tmp/to_scwrl_1088642953.seq -o /var/tmp/from_scwrl_1088642953.pdb > /var/tmp/scwrl_1088642953.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1088642953.pdb # conformation set from SCWRL output # naming current conformation mGen-3D_TS1-scwrl # ReadConformPDB reading from PDB file servers/nFOLD_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0357 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation nFOLD_TS1 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_47692921.pdb -s /var/tmp/to_scwrl_47692921.seq -o /var/tmp/from_scwrl_47692921.pdb > /var/tmp/scwrl_47692921.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_47692921.pdb # conformation set from SCWRL output # naming current conformation nFOLD_TS1-scwrl # ReadConformPDB reading from PDB file servers/nFOLD_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0357 can't currently be optimized by undertaker # naming current conformation nFOLD_TS2 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_1759626514.pdb -s /var/tmp/to_scwrl_1759626514.seq -o /var/tmp/from_scwrl_1759626514.pdb > /var/tmp/scwrl_1759626514.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1759626514.pdb # conformation set from SCWRL output # naming current conformation nFOLD_TS2-scwrl # ReadConformPDB reading from PDB file servers/nFOLD_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0357 can't currently be optimized by undertaker # naming current conformation nFOLD_TS3 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_2074555662.pdb -s /var/tmp/to_scwrl_2074555662.seq -o /var/tmp/from_scwrl_2074555662.pdb > /var/tmp/scwrl_2074555662.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2074555662.pdb # conformation set from SCWRL output # naming current conformation nFOLD_TS3-scwrl # ReadConformPDB reading from PDB file servers/nFOLD_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0357 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation nFOLD_TS4 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_1916376981.pdb -s /var/tmp/to_scwrl_1916376981.seq -o /var/tmp/from_scwrl_1916376981.pdb > /var/tmp/scwrl_1916376981.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1916376981.pdb # conformation set from SCWRL output # naming current conformation nFOLD_TS4-scwrl # ReadConformPDB reading from PDB file servers/nFOLD_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0357 can't currently be optimized by undertaker # naming current conformation nFOLD_TS5 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_1018784522.pdb -s /var/tmp/to_scwrl_1018784522.seq -o /var/tmp/from_scwrl_1018784522.pdb > /var/tmp/scwrl_1018784522.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1018784522.pdb # conformation set from SCWRL output # naming current conformation nFOLD_TS5-scwrl # ReadConformPDB reading from PDB file servers/panther2_TS1.pdb.gz looking for model 1 WARNING: atoms too close: (T0357)Y67.N and (T0357)V68.N only 0.000 apart, marking (T0357)V68.N as missing WARNING: atoms too close: (T0357)Y67.CA and (T0357)V68.CA only 0.000 apart, marking (T0357)V68.CA as missing WARNING: atoms too close: (T0357)Y67.CB and (T0357)V68.CB only 0.000 apart, marking (T0357)V68.CB as missing WARNING: atoms too close: (T0357)Y67.CG and (T0357)V68.CG1 only 0.000 apart, marking (T0357)V68.CG1 as missing WARNING: atoms too close: (T0357)Y67.O and (T0357)V68.O only 0.000 apart, marking (T0357)V68.O as missing WARNING: atoms too close: (T0357)Y67.C and (T0357)V68.C only 0.000 apart, marking (T0357)V68.C as missing WARNING: atoms too close: (T0357)V68.N and (T0357)L69.N only 0.000 apart, marking (T0357)V68.N as missing WARNING: atoms too close: (T0357)Y67.N and (T0357)L69.N only 0.000 apart, marking (T0357)L69.N as missing WARNING: atoms too close: (T0357)V68.CA and (T0357)L69.CA only 0.000 apart, marking (T0357)L69.CA as missing WARNING: atoms too close: (T0357)Y67.CA and (T0357)L69.CA only 0.000 apart, marking (T0357)L69.CA as missing WARNING: atoms too close: (T0357)V68.CB and (T0357)L69.CB only 0.000 apart, marking (T0357)L69.CB as missing WARNING: atoms too close: (T0357)Y67.CB and (T0357)L69.CB only 0.000 apart, marking (T0357)L69.CB as missing WARNING: atoms too close: (T0357)V68.CG1 and (T0357)L69.CG only 0.000 apart, marking (T0357)L69.CG as missing WARNING: atoms too close: (T0357)Y67.CG and (T0357)L69.CG only 0.000 apart, marking (T0357)L69.CG as missing WARNING: atoms too close: (T0357)V68.O and (T0357)L69.O only 0.000 apart, marking (T0357)L69.O as missing WARNING: atoms too close: (T0357)Y67.O and (T0357)L69.O only 0.000 apart, marking (T0357)L69.O as missing WARNING: atoms too close: (T0357)V68.C and (T0357)L69.C only 0.000 apart, marking (T0357)L69.C as missing WARNING: atoms too close: (T0357)Y67.C and (T0357)L69.C only 0.000 apart, marking (T0357)L69.C as missing WARNING: atoms too close: (T0357)L69.N and (T0357)E108.N only 0.000 apart, marking (T0357)L69.N as missing WARNING: atoms too close: (T0357)V68.N and (T0357)E108.N only 0.000 apart, marking (T0357)V68.N as missing WARNING: atoms too close: (T0357)Y67.N and (T0357)E108.N only 0.000 apart, marking (T0357)E108.N as missing WARNING: atoms too close: (T0357)L69.CA and (T0357)E108.CA only 0.000 apart, marking (T0357)E108.CA as missing WARNING: atoms too close: (T0357)V68.CA and (T0357)E108.CA only 0.000 apart, marking (T0357)E108.CA as missing WARNING: atoms too close: (T0357)Y67.CA and (T0357)E108.CA only 0.000 apart, marking (T0357)E108.CA as missing WARNING: atoms too close: (T0357)L69.CB and (T0357)E108.CB only 0.000 apart, marking (T0357)E108.CB as missing WARNING: atoms too close: (T0357)V68.CB and (T0357)E108.CB only 0.000 apart, marking (T0357)E108.CB as missing WARNING: atoms too close: (T0357)Y67.CB and (T0357)E108.CB only 0.000 apart, marking (T0357)E108.CB as missing WARNING: atoms too close: (T0357)L69.CG and (T0357)E108.CG only 0.000 apart, marking (T0357)E108.CG as missing WARNING: atoms too close: (T0357)V68.CG1 and (T0357)E108.CG only 0.000 apart, marking (T0357)E108.CG as missing WARNING: atoms too close: (T0357)Y67.CG and (T0357)E108.CG only 0.000 apart, marking (T0357)E108.CG as missing WARNING: atoms too close: (T0357)L69.O and (T0357)E108.O only 0.000 apart, marking (T0357)E108.O as missing WARNING: atoms too close: (T0357)V68.O and (T0357)E108.O only 0.000 apart, marking (T0357)E108.O as missing WARNING: atoms too close: (T0357)Y67.O and (T0357)E108.O only 0.000 apart, marking (T0357)E108.O as missing WARNING: atoms too close: (T0357)L69.C and (T0357)E108.C only 0.000 apart, marking (T0357)E108.C as missing WARNING: atoms too close: (T0357)V68.C and (T0357)E108.C only 0.000 apart, marking (T0357)E108.C as missing WARNING: atoms too close: (T0357)Y67.C and (T0357)E108.C only 0.000 apart, marking (T0357)E108.C as missing WARNING: atoms too close: (T0357)E108.N and (T0357)K109.N only 0.000 apart, marking (T0357)E108.N as missing WARNING: atoms too close: (T0357)L69.N and (T0357)K109.N only 0.000 apart, marking (T0357)L69.N as missing WARNING: atoms too close: (T0357)V68.N and (T0357)K109.N only 0.000 apart, marking (T0357)V68.N as missing WARNING: atoms too close: (T0357)Y67.N and (T0357)K109.N only 0.000 apart, marking (T0357)K109.N as missing WARNING: atoms too close: (T0357)E108.CA and (T0357)K109.CA only 0.000 apart, marking (T0357)K109.CA as missing WARNING: atoms too close: (T0357)L69.CA and (T0357)K109.CA only 0.000 apart, marking (T0357)K109.CA as missing WARNING: atoms too close: (T0357)V68.CA and (T0357)K109.CA only 0.000 apart, marking (T0357)K109.CA as missing WARNING: atoms too close: (T0357)Y67.CA and (T0357)K109.CA only 0.000 apart, marking (T0357)K109.CA as missing WARNING: atoms too close: (T0357)E108.CB and (T0357)K109.CB only 0.000 apart, marking (T0357)K109.CB as missing WARNING: atoms too close: (T0357)L69.CB and (T0357)K109.CB only 0.000 apart, marking (T0357)K109.CB as missing WARNING: atoms too close: (T0357)V68.CB and (T0357)K109.CB only 0.000 apart, marking (T0357)K109.CB as missing WARNING: atoms too close: (T0357)Y67.CB and (T0357)K109.CB only 0.000 apart, marking (T0357)K109.CB as missing WARNING: atoms too close: (T0357)E108.CG and (T0357)K109.CG only 0.000 apart, marking (T0357)K109.CG as missing WARNING: atoms too close: (T0357)L69.CG and (T0357)K109.CG only 0.000 apart, marking (T0357)K109.CG as missing WARNING: atoms too close: (T0357)V68.CG1 and (T0357)K109.CG only 0.000 apart, marking (T0357)K109.CG as missing WARNING: atoms too close: (T0357)Y67.CG and (T0357)K109.CG only 0.000 apart, marking (T0357)K109.CG as missing WARNING: atoms too close: (T0357)E108.O and (T0357)K109.O only 0.000 apart, marking (T0357)K109.O as missing WARNING: atoms too close: (T0357)L69.O and (T0357)K109.O only 0.000 apart, marking (T0357)K109.O as missing WARNING: atoms too close: (T0357)V68.O and (T0357)K109.O only 0.000 apart, marking (T0357)K109.O as missing WARNING: atoms too close: (T0357)Y67.O and (T0357)K109.O only 0.000 apart, marking (T0357)K109.O as missing WARNING: atoms too close: (T0357)E108.C and (T0357)K109.C only 0.000 apart, marking (T0357)K109.C as missing WARNING: atoms too close: (T0357)L69.C and (T0357)K109.C only 0.000 apart, marking (T0357)K109.C as missing WARNING: atoms too close: (T0357)V68.C and (T0357)K109.C only 0.000 apart, marking (T0357)K109.C as missing WARNING: atoms too close: (T0357)Y67.C and (T0357)K109.C only 0.000 apart, marking (T0357)K109.C as missing WARNING: atoms too close: (T0357)K109.N and (T0357)F110.N only 0.000 apart, marking (T0357)K109.N as missing WARNING: atoms too close: (T0357)E108.N and (T0357)F110.N only 0.000 apart, marking (T0357)E108.N as missing WARNING: atoms too close: (T0357)L69.N and (T0357)F110.N only 0.000 apart, marking (T0357)L69.N as missing WARNING: atoms too close: (T0357)V68.N and (T0357)F110.N only 0.000 apart, marking (T0357)V68.N as missing WARNING: atoms too close: (T0357)Y67.N and (T0357)F110.N only 0.000 apart, marking (T0357)F110.N as missing WARNING: atoms too close: (T0357)K109.CA and (T0357)F110.CA only 0.000 apart, marking (T0357)F110.CA as missing WARNING: atoms too close: (T0357)E108.CA and (T0357)F110.CA only 0.000 apart, marking (T0357)F110.CA as missing WARNING: atoms too close: (T0357)L69.CA and (T0357)F110.CA only 0.000 apart, marking (T0357)F110.CA as missing WARNING: atoms too close: (T0357)V68.CA and (T0357)F110.CA only 0.000 apart, marking (T0357)F110.CA as missing WARNING: atoms too close: (T0357)Y67.CA and (T0357)F110.CA only 0.000 apart, marking (T0357)F110.CA as missing WARNING: atoms too close: (T0357)K109.CB and (T0357)F110.CB only 0.000 apart, marking (T0357)F110.CB as missing WARNING: atoms too close: (T0357)E108.CB and (T0357)F110.CB only 0.000 apart, marking (T0357)F110.CB as missing WARNING: atoms too close: (T0357)L69.CB and (T0357)F110.CB only 0.000 apart, marking (T0357)F110.CB as missing WARNING: atoms too close: (T0357)V68.CB and (T0357)F110.CB only 0.000 apart, marking (T0357)F110.CB as missing WARNING: atoms too close: (T0357)Y67.CB and (T0357)F110.CB only 0.000 apart, marking (T0357)F110.CB as missing WARNING: atoms too close: (T0357)K109.CG and (T0357)F110.CG only 0.000 apart, marking (T0357)F110.CG as missing WARNING: atoms too close: (T0357)E108.CG and (T0357)F110.CG only 0.000 apart, marking (T0357)F110.CG as missing WARNING: atoms too close: (T0357)L69.CG and (T0357)F110.CG only 0.000 apart, marking (T0357)F110.CG as missing WARNING: atoms too close: (T0357)V68.CG1 and (T0357)F110.CG only 0.000 apart, marking (T0357)F110.CG as missing WARNING: atoms too close: (T0357)Y67.CG and (T0357)F110.CG only 0.000 apart, marking (T0357)F110.CG as missing WARNING: atoms too close: (T0357)K109.O and (T0357)F110.O only 0.000 apart, marking (T0357)F110.O as missing WARNING: atoms too close: (T0357)E108.O and (T0357)F110.O only 0.000 apart, marking (T0357)F110.O as missing WARNING: atoms too close: (T0357)L69.O and (T0357)F110.O only 0.000 apart, marking (T0357)F110.O as missing WARNING: atoms too close: (T0357)V68.O and (T0357)F110.O only 0.000 apart, marking (T0357)F110.O as missing WARNING: atoms too close: (T0357)Y67.O and (T0357)F110.O only 0.000 apart, marking (T0357)F110.O as missing WARNING: atoms too close: (T0357)K109.C and (T0357)F110.C only 0.000 apart, marking (T0357)F110.C as missing WARNING: atoms too close: (T0357)E108.C and (T0357)F110.C only 0.000 apart, marking (T0357)F110.C as missing WARNING: atoms too close: (T0357)L69.C and (T0357)F110.C only 0.000 apart, marking (T0357)F110.C as missing WARNING: atoms too close: (T0357)V68.C and (T0357)F110.C only 0.000 apart, marking (T0357)F110.C as missing WARNING: atoms too close: (T0357)Y67.C and (T0357)F110.C only 0.000 apart, marking (T0357)F110.C as missing WARNING: atoms too close: (T0357)F110.N and (T0357)F111.N only 0.000 apart, marking (T0357)F110.N as missing WARNING: atoms too close: (T0357)K109.N and (T0357)F111.N only 0.000 apart, marking (T0357)K109.N as missing WARNING: atoms too close: (T0357)E108.N and (T0357)F111.N only 0.000 apart, marking (T0357)E108.N as missing WARNING: atoms too close: (T0357)L69.N and (T0357)F111.N only 0.000 apart, marking (T0357)L69.N as missing WARNING: atoms too close: (T0357)V68.N and (T0357)F111.N only 0.000 apart, marking (T0357)V68.N as missing WARNING: atoms too close: (T0357)Y67.N and (T0357)F111.N only 0.000 apart, marking (T0357)F111.N as missing WARNING: atoms too close: (T0357)F110.CA and (T0357)F111.CA only 0.000 apart, marking (T0357)F111.CA as missing WARNING: atoms too close: (T0357)K109.CA and (T0357)F111.CA only 0.000 apart, marking (T0357)F111.CA as missing WARNING: atoms too close: (T0357)E108.CA and (T0357)F111.CA only 0.000 apart, marking (T0357)F111.CA as missing WARNING: atoms too close: (T0357)L69.CA and (T0357)F111.CA only 0.000 apart, marking (T0357)F111.CA as missing WARNING: atoms too close: (T0357)V68.CA and (T0357)F111.CA only 0.000 apart, marking (T0357)F111.CA as missing WARNING: atoms too close: (T0357)Y67.CA and (T0357)F111.CA only 0.000 apart, marking (T0357)F111.CA as missing WARNING: atoms too close: (T0357)F110.CB and (T0357)F111.CB only 0.000 apart, marking (T0357)F111.CB as missing WARNING: atoms too close: (T0357)K109.CB and (T0357)F111.CB only 0.000 apart, marking (T0357)F111.CB as missing WARNING: atoms too close: (T0357)E108.CB and (T0357)F111.CB only 0.000 apart, marking (T0357)F111.CB as missing WARNING: atoms too close: (T0357)L69.CB and (T0357)F111.CB only 0.000 apart, marking (T0357)F111.CB as missing WARNING: atoms too close: (T0357)V68.CB and (T0357)F111.CB only 0.000 apart, marking (T0357)F111.CB as missing WARNING: atoms too close: (T0357)Y67.CB and (T0357)F111.CB only 0.000 apart, marking (T0357)F111.CB as missing WARNING: atoms too close: (T0357)F110.CG and (T0357)F111.CG only 0.000 apart, marking (T0357)F111.CG as missing WARNING: atoms too close: (T0357)K109.CG and (T0357)F111.CG only 0.000 apart, marking (T0357)F111.CG as missing WARNING: atoms too close: (T0357)E108.CG and (T0357)F111.CG only 0.000 apart, marking (T0357)F111.CG as missing WARNING: atoms too close: (T0357)L69.CG and (T0357)F111.CG only 0.000 apart, marking (T0357)F111.CG as missing WARNING: atoms too close: (T0357)V68.CG1 and (T0357)F111.CG only 0.000 apart, marking (T0357)F111.CG as missing WARNING: atoms too close: (T0357)Y67.CG and (T0357)F111.CG only 0.000 apart, marking (T0357)F111.CG as missing WARNING: atoms too close: (T0357)F110.O and (T0357)F111.O only 0.000 apart, marking (T0357)F111.O as missing WARNING: atoms too close: (T0357)K109.O and (T0357)F111.O only 0.000 apart, marking (T0357)F111.O as missing WARNING: atoms too close: (T0357)E108.O and (T0357)F111.O only 0.000 apart, marking (T0357)F111.O as missing WARNING: atoms too close: (T0357)L69.O and (T0357)F111.O only 0.000 apart, marking (T0357)F111.O as missing WARNING: atoms too close: (T0357)V68.O and (T0357)F111.O only 0.000 apart, marking (T0357)F111.O as missing WARNING: atoms too close: (T0357)Y67.O and (T0357)F111.O only 0.000 apart, marking (T0357)F111.O as missing WARNING: atoms too close: (T0357)F110.C and (T0357)F111.C only 0.000 apart, marking (T0357)F111.C as missing WARNING: atoms too close: (T0357)K109.C and (T0357)F111.C only 0.000 apart, marking (T0357)F111.C as missing WARNING: atoms too close: (T0357)E108.C and (T0357)F111.C only 0.000 apart, marking (T0357)F111.C as missing WARNING: atoms too close: (T0357)L69.C and (T0357)F111.C only 0.000 apart, marking (T0357)F111.C as missing WARNING: atoms too close: (T0357)V68.C and (T0357)F111.C only 0.000 apart, marking (T0357)F111.C as missing WARNING: atoms too close: (T0357)Y67.C and (T0357)F111.C only 0.000 apart, marking (T0357)F111.C as missing # WARNING: incomplete conformation T0357 can't currently be optimized by undertaker # naming current conformation panther2_TS1 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_186355016.pdb -s /var/tmp/to_scwrl_186355016.seq -o /var/tmp/from_scwrl_186355016.pdb > /var/tmp/scwrl_186355016.log Error: Couldn't open file /var/tmp/from_scwrl_186355016.pdb or /var/tmp/from_scwrl_186355016.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_186355016_b.pdb or decoys//var/tmp/from_scwrl_186355016_b.pdb.gz for input Trying /var/tmp/from_scwrl_186355016_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_186355016_b.pdb or /var/tmp/from_scwrl_186355016_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_186355016_a.pdb or decoys//var/tmp/from_scwrl_186355016_a.pdb.gz for input Trying /var/tmp/from_scwrl_186355016_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_186355016_a.pdb or /var/tmp/from_scwrl_186355016_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_186355016.pdb or /var/tmp/from_scwrl_186355016_b.pdb or /var/tmp/from_scwrl_186355016_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 T0357 can't currently be optimized by undertaker # naming current conformation shub_TS1 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_982189237.pdb -s /var/tmp/to_scwrl_982189237.seq -o /var/tmp/from_scwrl_982189237.pdb > /var/tmp/scwrl_982189237.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_982189237.pdb # conformation set from SCWRL output # naming current conformation shub_TS1-scwrl # command:CPU_time= 53.241 sec, elapsed time= 436.222 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 100.227 real_cost = 159.086 shub_TS1 costs 100.235 real_cost = 164.370 panther2_TS1-scwrl costs 99.905 real_cost = 246.946 nFOLD_TS5-scwrl costs 102.569 real_cost = 288.917 nFOLD_TS5 costs 102.576 real_cost = 347.636 nFOLD_TS4-scwrl costs 82.827 real_cost = 314.919 nFOLD_TS4 costs 82.827 real_cost = 386.360 nFOLD_TS3-scwrl costs 103.011 real_cost = 332.608 nFOLD_TS3 costs 102.885 real_cost = 382.486 nFOLD_TS2-scwrl costs 110.919 real_cost = 283.175 nFOLD_TS2 costs 110.972 real_cost = 345.559 nFOLD_TS1-scwrl costs 109.802 real_cost = 348.138 nFOLD_TS1 costs 109.802 real_cost = 422.033 mGen-3D_TS1-scwrl costs 122.394 real_cost = 290.307 mGen-3D_TS1 costs 122.449 real_cost = 345.014 keasar-server_TS5-scwrl costs 112.107 real_cost = 142.501 keasar-server_TS5 costs 112.107 real_cost = 147.095 keasar-server_TS4-scwrl costs 90.755 real_cost = 142.259 keasar-server_TS4 costs 90.755 real_cost = 144.640 keasar-server_TS3-scwrl costs 121.832 real_cost = 187.505 keasar-server_TS3 costs 121.832 real_cost = 189.726 keasar-server_TS2-scwrl costs 120.568 real_cost = 233.822 keasar-server_TS2 costs 120.568 real_cost = 235.506 keasar-server_TS1-scwrl costs 111.986 real_cost = 169.605 keasar-server_TS1 costs 111.986 real_cost = 170.977 karypis.srv_TS5-scwrl costs 95.903 real_cost = 259.332 karypis.srv_TS5 costs 95.907 real_cost = 256.491 karypis.srv_TS4-scwrl costs 87.350 real_cost = 179.983 karypis.srv_TS4 costs 87.361 real_cost = 174.852 karypis.srv_TS3-scwrl costs 90.217 real_cost = 229.669 karypis.srv_TS3 costs 90.217 real_cost = 229.666 karypis.srv_TS2-scwrl costs 114.977 real_cost = 244.943 karypis.srv_TS2 costs 114.968 real_cost = 242.232 karypis.srv_TS1-scwrl costs 91.104 real_cost = 180.627 karypis.srv_TS1 costs 91.173 real_cost = 177.637 karypis.srv.4_TS5-scwrl costs 127.993 real_cost = 333.082 karypis.srv.4_TS5 costs 127.993 real_cost = 333.082 karypis.srv.4_TS4-scwrl costs 173.131 real_cost = 334.639 karypis.srv.4_TS4 costs 173.131 real_cost = 334.619 karypis.srv.4_TS3-scwrl costs 150.058 real_cost = 343.799 karypis.srv.4_TS3 costs 150.058 real_cost = 344.534 karypis.srv.4_TS2-scwrl costs 159.076 real_cost = 337.708 karypis.srv.4_TS2 costs 159.076 real_cost = 337.830 karypis.srv.4_TS1-scwrl costs 133.113 real_cost = 349.510 karypis.srv.4_TS1 costs 133.113 real_cost = 349.469 karypis.srv.2_TS5-scwrl costs 91.136 real_cost = 285.735 karypis.srv.2_TS5 costs 91.136 real_cost = 285.732 karypis.srv.2_TS4-scwrl costs 107.122 real_cost = 275.683 karypis.srv.2_TS4 costs 107.122 real_cost = 275.683 karypis.srv.2_TS3-scwrl costs 89.695 real_cost = 210.867 karypis.srv.2_TS3 costs 89.695 real_cost = 210.878 karypis.srv.2_TS2-scwrl costs 91.358 real_cost = 204.091 karypis.srv.2_TS2 costs 91.358 real_cost = 204.091 karypis.srv.2_TS1-scwrl costs 87.419 real_cost = 123.083 karypis.srv.2_TS1 costs 87.419 real_cost = 123.083 forecast-s_AL5-scwrl costs 132.243 real_cost = 420.365 forecast-s_AL5 costs 132.183 real_cost = 475.575 forecast-s_AL4-scwrl costs 118.507 real_cost = 477.936 forecast-s_AL4 costs 118.552 real_cost = 510.654 forecast-s_AL3-scwrl costs 134.299 real_cost = 432.610 forecast-s_AL3 costs 134.388 real_cost = 471.780 forecast-s_AL2-scwrl costs 125.490 real_cost = 435.147 forecast-s_AL2 costs 125.521 real_cost = 470.443 forecast-s_AL1-scwrl costs 111.088 real_cost = 174.976 forecast-s_AL1 costs 111.316 real_cost = 238.584 beautshotbase_TS1-scwrl costs 120.478 real_cost = 233.800 beautshotbase_TS1 costs 120.443 real_cost = 234.388 beautshot_TS1-scwrl costs 113.086 real_cost = 85.885 beautshot_TS1 costs 113.086 real_cost = 80.487 Zhang-Server_TS5-scwrl costs 95.844 real_cost = 0.782 Zhang-Server_TS5 costs 95.844 real_cost = 0.488 Zhang-Server_TS4-scwrl costs 86.697 real_cost = 70.637 Zhang-Server_TS4 costs 86.697 real_cost = 70.637 Zhang-Server_TS3-scwrl costs 88.927 real_cost = 9.809 Zhang-Server_TS3 costs 88.927 real_cost = 9.877 Zhang-Server_TS2-scwrl costs 87.541 real_cost = 14.611 Zhang-Server_TS2 costs 87.541 real_cost = 14.611 Zhang-Server_TS1-scwrl costs 100.542 real_cost = -12.207 Zhang-Server_TS1 costs 100.542 real_cost = -12.207 UNI-EID_sfst_AL3-scwrl costs 117.997 real_cost = 259.618 UNI-EID_sfst_AL3 costs 118.025 real_cost = 303.780 UNI-EID_sfst_AL2-scwrl costs 113.865 real_cost = 276.728 UNI-EID_sfst_AL2 costs 114.027 real_cost = 316.020 UNI-EID_sfst_AL1-scwrl costs 122.328 real_cost = 237.085 UNI-EID_sfst_AL1 costs 122.458 real_cost = 275.346 UNI-EID_expm_TS1-scwrl costs 127.971 real_cost = 169.842 UNI-EID_expm_TS1 costs 128.154 real_cost = 208.438 UNI-EID_bnmx_TS5-scwrl costs 118.675 real_cost = 280.819 UNI-EID_bnmx_TS5 costs 119.013 real_cost = 326.124 UNI-EID_bnmx_TS4-scwrl costs 119.576 real_cost = 283.660 UNI-EID_bnmx_TS4 costs 119.660 real_cost = 342.991 UNI-EID_bnmx_TS3-scwrl costs 116.853 real_cost = 251.629 UNI-EID_bnmx_TS3 costs 116.883 real_cost = 300.131 UNI-EID_bnmx_TS2-scwrl costs 108.189 real_cost = 175.875 UNI-EID_bnmx_TS2 costs 108.208 real_cost = 249.066 UNI-EID_bnmx_TS1-scwrl costs 111.592 real_cost = 152.178 UNI-EID_bnmx_TS1 costs 111.696 real_cost = 221.871 SPARKS2_TS5-scwrl costs 91.803 real_cost = 339.803 SPARKS2_TS5 costs 91.803 real_cost = 341.095 SPARKS2_TS4-scwrl costs 83.584 real_cost = 299.488 SPARKS2_TS4 costs 83.584 real_cost = 304.485 SPARKS2_TS3-scwrl costs 97.509 real_cost = 300.906 SPARKS2_TS3 costs 97.509 real_cost = 299.774 SPARKS2_TS2-scwrl costs 78.655 real_cost = 128.855 SPARKS2_TS2 costs 78.655 real_cost = 129.073 SPARKS2_TS1-scwrl costs 87.618 real_cost = 62.481 SPARKS2_TS1 costs 87.618 real_cost = 55.839 SP4_TS5-scwrl costs 83.151 real_cost = 271.764 SP4_TS5 costs 83.151 real_cost = 268.196 SP4_TS4-scwrl costs 80.505 real_cost = 251.952 SP4_TS4 costs 80.505 real_cost = 252.922 SP4_TS3-scwrl costs 83.941 real_cost = 117.195 SP4_TS3 costs 83.941 real_cost = 120.270 SP4_TS2-scwrl costs 81.421 real_cost = 60.200 SP4_TS2 costs 81.421 real_cost = 51.801 SP4_TS1-scwrl costs 87.243 real_cost = 96.629 SP4_TS1 costs 87.243 real_cost = 101.765 SP3_TS5-scwrl costs 85.116 real_cost = 71.477 SP3_TS5 costs 85.116 real_cost = 79.364 SP3_TS4-scwrl costs 91.049 real_cost = 276.076 SP3_TS4 costs 91.049 real_cost = 279.310 SP3_TS3-scwrl costs 87.892 real_cost = 206.429 SP3_TS3 costs 87.892 real_cost = 207.238 SP3_TS2-scwrl costs 93.334 real_cost = 91.940 SP3_TS2 costs 93.334 real_cost = 101.824 SP3_TS1-scwrl costs 81.180 real_cost = 52.182 SP3_TS1 costs 81.180 real_cost = 40.546 SAM_T06_server_TS5-scwrl costs 93.505 real_cost = 431.393 SAM_T06_server_TS5 costs 93.534 real_cost = 423.125 SAM_T06_server_TS4-scwrl costs 95.770 real_cost = 399.769 SAM_T06_server_TS4 costs 95.456 real_cost = 383.848 SAM_T06_server_TS3-scwrl costs 95.620 real_cost = 331.272 SAM_T06_server_TS3 costs 95.436 real_cost = 323.613 SAM_T06_server_TS2-scwrl costs 94.031 real_cost = 266.362 SAM_T06_server_TS2 costs 93.878 real_cost = 240.637 SAM_T06_server_TS1-scwrl costs 118.190 real_cost = 155.333 SAM_T06_server_TS1 costs 118.190 real_cost = 156.171 SAM-T99_AL3-scwrl costs 93.412 real_cost = 352.679 SAM-T99_AL3 costs 93.494 real_cost = 423.265 SAM-T99_AL2-scwrl costs 98.868 real_cost = 237.461 SAM-T99_AL2 costs 98.850 real_cost = 245.891 SAM-T99_AL1-scwrl costs 98.504 real_cost = 223.639 SAM-T99_AL1 costs 98.446 real_cost = 233.831 SAM-T02_AL5-scwrl costs 126.470 real_cost = 385.597 SAM-T02_AL5 costs 126.445 real_cost = 470.419 SAM-T02_AL4-scwrl costs 127.016 real_cost = 503.934 SAM-T02_AL4 costs 127.007 real_cost = 531.082 SAM-T02_AL3-scwrl costs 108.813 real_cost = 318.233 SAM-T02_AL3 costs 108.848 real_cost = 393.044 SAM-T02_AL2-scwrl costs 106.686 real_cost = 491.948 SAM-T02_AL2 costs 106.677 real_cost = 510.802 SAM-T02_AL1-scwrl costs 87.335 real_cost = 174.951 SAM-T02_AL1 costs 87.191 real_cost = 189.171 ROKKY_TS5-scwrl costs 100.679 real_cost = 166.825 ROKKY_TS5 costs 100.679 real_cost = 159.950 ROKKY_TS4-scwrl costs 102.583 real_cost = 193.671 ROKKY_TS4 costs 102.583 real_cost = 195.307 ROKKY_TS3-scwrl costs 99.117 real_cost = 174.882 ROKKY_TS3 costs 99.117 real_cost = 186.603 ROKKY_TS2-scwrl costs 119.533 real_cost = 252.977 ROKKY_TS2 costs 119.533 real_cost = 249.133 ROKKY_TS1-scwrl costs 109.928 real_cost = 221.876 ROKKY_TS1 costs 109.928 real_cost = 218.485 ROBETTA_TS5-scwrl costs 74.152 real_cost = 58.528 ROBETTA_TS5 costs 74.152 real_cost = 66.781 ROBETTA_TS4-scwrl costs 70.797 real_cost = 30.802 ROBETTA_TS4 costs 70.797 real_cost = 38.762 ROBETTA_TS3-scwrl costs 80.581 real_cost = 30.009 ROBETTA_TS3 costs 80.581 real_cost = 33.053 ROBETTA_TS2-scwrl costs 86.700 real_cost = 148.854 ROBETTA_TS2 costs 86.700 real_cost = 153.247 ROBETTA_TS1-scwrl costs 82.822 real_cost = 163.509 ROBETTA_TS1 costs 82.822 real_cost = 164.744 RAPTOR_TS5-scwrl costs 83.167 real_cost = 130.368 RAPTOR_TS5 costs 83.167 real_cost = 134.801 RAPTOR_TS4-scwrl costs 86.140 real_cost = 122.447 RAPTOR_TS4 costs 86.140 real_cost = 106.880 RAPTOR_TS3-scwrl costs 76.641 real_cost = 40.185 RAPTOR_TS3 costs 76.641 real_cost = 44.802 RAPTOR_TS2-scwrl costs 92.632 real_cost = 98.708 RAPTOR_TS2 costs 92.632 real_cost = 105.188 RAPTOR_TS1-scwrl costs 83.733 real_cost = 50.708 RAPTOR_TS1 costs 83.733 real_cost = 61.066 RAPTORESS_TS5-scwrl costs 96.473 real_cost = 116.556 RAPTORESS_TS5 costs 96.473 real_cost = 121.154 RAPTORESS_TS4-scwrl costs 90.273 real_cost = 46.157 RAPTORESS_TS4 costs 90.273 real_cost = 55.456 RAPTORESS_TS3-scwrl costs 109.994 real_cost = 95.587 RAPTORESS_TS3 costs 109.994 real_cost = 102.938 RAPTORESS_TS2-scwrl costs 97.580 real_cost = 62.667 RAPTORESS_TS2 costs 97.580 real_cost = 74.314 RAPTORESS_TS1-scwrl costs 88.716 real_cost = 157.987 RAPTORESS_TS1 costs 88.716 real_cost = 163.305 RAPTOR-ACE_TS5-scwrl costs 93.334 real_cost = 91.940 RAPTOR-ACE_TS5 costs 93.334 real_cost = 101.824 RAPTOR-ACE_TS4-scwrl costs 85.116 real_cost = 71.477 RAPTOR-ACE_TS4 costs 85.116 real_cost = 79.364 RAPTOR-ACE_TS3-scwrl costs 81.180 real_cost = 52.182 RAPTOR-ACE_TS3 costs 81.180 real_cost = 40.546 RAPTOR-ACE_TS2-scwrl costs 74.897 real_cost = 116.875 RAPTOR-ACE_TS2 costs 74.897 real_cost = 118.359 RAPTOR-ACE_TS1-scwrl costs 80.705 real_cost = 62.641 RAPTOR-ACE_TS1 costs 80.705 real_cost = 65.118 Pmodeller6_TS5-scwrl costs 77.252 real_cost = 110.182 Pmodeller6_TS5 costs 77.268 real_cost = 104.863 Pmodeller6_TS4-scwrl costs 89.436 real_cost = 76.389 Pmodeller6_TS4 costs 89.467 real_cost = 68.987 Pmodeller6_TS3-scwrl costs 78.184 real_cost = 60.562 Pmodeller6_TS3 costs 78.263 real_cost = 59.483 Pmodeller6_TS2-scwrl costs 80.581 real_cost = 30.009 Pmodeller6_TS2 costs 80.581 real_cost = 33.053 Pmodeller6_TS1-scwrl costs 70.797 real_cost = 30.802 Pmodeller6_TS1 costs 70.797 real_cost = 38.762 Phyre-2_TS5-scwrl costs 115.836 real_cost = 182.919 Phyre-2_TS5 costs 115.881 real_cost = 169.175 Phyre-2_TS4-scwrl costs 114.113 real_cost = 165.004 Phyre-2_TS4 costs 114.143 real_cost = 156.670 Phyre-2_TS3-scwrl costs 114.119 real_cost = 182.637 Phyre-2_TS3 costs 114.156 real_cost = 168.898 Phyre-2_TS2-scwrl costs 111.677 real_cost = 236.767 Phyre-2_TS2 costs 111.668 real_cost = 225.211 Phyre-2_TS1-scwrl costs 101.917 real_cost = 119.309 Phyre-2_TS1 costs 101.917 real_cost = 117.069 Phyre-1_TS1-scwrl costs 112.417 real_cost = 183.290 Phyre-1_TS1 costs 112.457 real_cost = 165.413 Pcons6_TS5-scwrl costs 90.584 real_cost = 175.412 Pcons6_TS5 costs 90.560 real_cost = 170.244 Pcons6_TS4-scwrl costs 84.569 real_cost = 155.068 Pcons6_TS4 costs 84.582 real_cost = 150.365 Pcons6_TS3-scwrl costs 89.436 real_cost = 76.389 Pcons6_TS3 costs 89.467 real_cost = 68.987 Pcons6_TS2-scwrl costs 82.700 real_cost = 93.805 Pcons6_TS2 costs 82.700 real_cost = 93.808 Pcons6_TS1-scwrl costs 85.101 real_cost = 115.612 Pcons6_TS1 costs 85.078 real_cost = 109.091 PROTINFO_TS5-scwrl costs 100.612 real_cost = 116.637 PROTINFO_TS5 costs 100.612 real_cost = 121.560 PROTINFO_TS4-scwrl costs 110.165 real_cost = 184.658 PROTINFO_TS4 costs 110.165 real_cost = 182.936 PROTINFO_TS3-scwrl costs 105.896 real_cost = 120.049 PROTINFO_TS3 costs 105.896 real_cost = 123.350 PROTINFO_TS2-scwrl costs 124.851 real_cost = 254.056 PROTINFO_TS2 costs 124.851 real_cost = 254.437 PROTINFO_TS1-scwrl costs 102.363 real_cost = 106.906 PROTINFO_TS1 costs 102.363 real_cost = 108.461 PROTINFO-AB_TS5-scwrl costs 102.926 real_cost = 132.066 PROTINFO-AB_TS5 costs 102.926 real_cost = 133.813 PROTINFO-AB_TS4-scwrl costs 103.254 real_cost = 112.500 PROTINFO-AB_TS4 costs 103.254 real_cost = 110.747 PROTINFO-AB_TS3-scwrl costs 99.576 real_cost = 113.345 PROTINFO-AB_TS3 costs 99.576 real_cost = 119.187 PROTINFO-AB_TS2-scwrl costs 101.397 real_cost = 109.739 PROTINFO-AB_TS2 costs 101.397 real_cost = 114.790 PROTINFO-AB_TS1-scwrl costs 98.548 real_cost = 117.162 PROTINFO-AB_TS1 costs 98.548 real_cost = 118.935 POMYSL_TS5-scwrl costs 111.809 real_cost = 327.559 POMYSL_TS5 costs 111.809 real_cost = 329.016 POMYSL_TS4-scwrl costs 110.573 real_cost = 330.467 POMYSL_TS4 costs 110.573 real_cost = 333.835 POMYSL_TS3-scwrl costs 119.089 real_cost = 304.712 POMYSL_TS3 costs 119.089 real_cost = 306.326 POMYSL_TS2-scwrl costs 115.128 real_cost = 339.111 POMYSL_TS2 costs 115.128 real_cost = 339.825 POMYSL_TS1-scwrl costs 100.655 real_cost = 324.118 POMYSL_TS1 costs 100.655 real_cost = 326.321 NN_PUT_lab_TS1-scwrl costs 87.782 real_cost = 152.394 NN_PUT_lab_TS1 costs 87.693 real_cost = 233.669 MetaTasser_TS5-scwrl costs 119.761 real_cost = 82.318 MetaTasser_TS5 costs 119.761 real_cost = 80.898 MetaTasser_TS4-scwrl costs 114.454 real_cost = 96.118 MetaTasser_TS4 costs 114.454 real_cost = 96.186 MetaTasser_TS3-scwrl costs 99.504 real_cost = 10.573 MetaTasser_TS3 costs 99.504 real_cost = 7.349 MetaTasser_TS2-scwrl costs 111.523 real_cost = 130.644 MetaTasser_TS2 costs 111.523 real_cost = 132.577 MetaTasser_TS1-scwrl costs 122.176 real_cost = 62.755 MetaTasser_TS1 costs 122.176 real_cost = 74.023 Ma-OPUS-server_TS5-scwrl costs 82.034 real_cost = 100.547 Ma-OPUS-server_TS5 costs 82.034 real_cost = 120.435 Ma-OPUS-server_TS4-scwrl costs 104.016 real_cost = 324.294 Ma-OPUS-server_TS4 costs 104.016 real_cost = 323.823 Ma-OPUS-server_TS3-scwrl costs 83.355 real_cost = 238.628 Ma-OPUS-server_TS3 costs 83.355 real_cost = 233.715 Ma-OPUS-server_TS2-scwrl costs 77.297 real_cost = 257.433 Ma-OPUS-server_TS2 costs 77.297 real_cost = 254.593 Ma-OPUS-server_TS1-scwrl costs 84.786 real_cost = 30.532 Ma-OPUS-server_TS1 costs 84.786 real_cost = 44.120 Ma-OPUS-server2_TS5-scwrl costs 82.034 real_cost = 100.547 Ma-OPUS-server2_TS5 costs 82.034 real_cost = 120.435 Ma-OPUS-server2_TS4-scwrl costs 102.728 real_cost = 318.981 Ma-OPUS-server2_TS4 costs 102.728 real_cost = 320.890 Ma-OPUS-server2_TS3-scwrl costs 105.372 real_cost = 320.926 Ma-OPUS-server2_TS3 costs 105.372 real_cost = 318.834 Ma-OPUS-server2_TS2-scwrl costs 81.294 real_cost = 214.775 Ma-OPUS-server2_TS2 costs 81.294 real_cost = 216.882 Ma-OPUS-server2_TS1-scwrl costs 84.380 real_cost = 39.538 Ma-OPUS-server2_TS1 costs 84.380 real_cost = 49.052 MIG_FROST_AL1-scwrl costs 108.346 real_cost = 316.179 MIG_FROST_AL1 costs 108.346 real_cost = 316.179 LOOPP_TS5 costs 108.328 real_cost = 310.216 LOOPP_TS4-scwrl costs 102.152 real_cost = 300.376 LOOPP_TS4 costs 102.089 real_cost = 299.414 LOOPP_TS3-scwrl costs 94.078 real_cost = 299.569 LOOPP_TS3 costs 94.078 real_cost = 299.602 LOOPP_TS2-scwrl costs 78.476 real_cost = 47.991 LOOPP_TS2 costs 78.491 real_cost = 52.592 LOOPP_TS1-scwrl costs 92.880 real_cost = 283.612 LOOPP_TS1 costs 92.880 real_cost = 286.522 Huber-Torda-Server_TS5-scwrl costs 97.644 real_cost = 289.321 Huber-Torda-Server_TS5 costs 97.604 real_cost = 346.071 Huber-Torda-Server_TS4-scwrl costs 98.752 real_cost = 271.493 Huber-Torda-Server_TS4 costs 98.766 real_cost = 323.765 Huber-Torda-Server_TS3-scwrl costs 116.482 real_cost = 373.355 Huber-Torda-Server_TS3 costs 116.380 real_cost = 422.353 Huber-Torda-Server_TS2-scwrl costs 115.916 real_cost = 886.466 Huber-Torda-Server_TS2 costs 115.912 real_cost = 889.466 Huber-Torda-Server_TS1-scwrl costs 117.094 real_cost = 886.466 Huber-Torda-Server_TS1 costs 117.102 real_cost = 889.466 HHpred3_TS1-scwrl costs 98.322 real_cost = 90.769 HHpred3_TS1 costs 98.322 real_cost = 86.484 HHpred2_TS1-scwrl costs 98.322 real_cost = 90.769 HHpred2_TS1 costs 98.322 real_cost = 86.484 HHpred1_TS1-scwrl costs 99.313 real_cost = 98.205 HHpred1_TS1 costs 99.313 real_cost = 100.892 GeneSilicoMetaServer_TS5-scwrl costs 101.844 real_cost = 140.958 GeneSilicoMetaServer_TS5 costs 101.840 real_cost = 147.416 GeneSilicoMetaServer_TS4-scwrl costs 87.201 real_cost = 184.630 GeneSilicoMetaServer_TS4 costs 87.201 real_cost = 187.001 GeneSilicoMetaServer_TS3-scwrl costs 98.022 real_cost = 168.472 GeneSilicoMetaServer_TS3 costs 98.087 real_cost = 152.248 GeneSilicoMetaServer_TS2-scwrl costs 78.971 real_cost = 124.196 GeneSilicoMetaServer_TS2 costs 78.971 real_cost = 127.490 GeneSilicoMetaServer_TS1-scwrl costs 87.109 real_cost = 87.997 GeneSilicoMetaServer_TS1 costs 87.109 real_cost = 100.217 FUNCTION_TS5-scwrl costs 127.751 real_cost = 243.589 FUNCTION_TS5 costs 127.751 real_cost = 243.385 FUNCTION_TS4-scwrl costs 126.139 real_cost = 258.380 FUNCTION_TS4 costs 126.139 real_cost = 258.753 FUNCTION_TS3-scwrl costs 147.019 real_cost = 174.894 FUNCTION_TS3 costs 147.019 real_cost = 186.089 FUNCTION_TS2-scwrl costs 155.923 real_cost = 255.862 FUNCTION_TS2 costs 156.071 real_cost = 251.304 FUNCTION_TS1-scwrl costs 149.827 real_cost = 265.990 FUNCTION_TS1 costs 149.843 real_cost = 264.275 FUGUE_AL5-scwrl costs 127.461 real_cost = 326.341 FUGUE_AL5 costs 127.406 real_cost = 413.617 FUGUE_AL4-scwrl costs 123.953 real_cost = 378.951 FUGUE_AL4 costs 123.977 real_cost = 460.496 FUGUE_AL3-scwrl costs 114.962 real_cost = 258.716 FUGUE_AL3 costs 114.987 real_cost = 343.817 FUGUE_AL2-scwrl costs 118.029 real_cost = 300.284 FUGUE_AL2 costs 118.011 real_cost = 362.172 FUGUE_AL1-scwrl costs 87.782 real_cost = 152.394 FUGUE_AL1 costs 87.693 real_cost = 233.669 FUGMOD_TS5-scwrl costs 113.220 real_cost = 303.894 FUGMOD_TS5 costs 113.220 real_cost = 303.760 FUGMOD_TS4-scwrl costs 120.401 real_cost = 343.206 FUGMOD_TS4 costs 120.401 real_cost = 343.068 FUGMOD_TS3-scwrl costs 103.796 real_cost = 234.234 FUGMOD_TS3 costs 103.796 real_cost = 229.315 FUGMOD_TS2-scwrl costs 109.849 real_cost = 237.096 FUGMOD_TS2 costs 109.849 real_cost = 238.757 FUGMOD_TS1-scwrl costs 90.967 real_cost = 126.528 FUGMOD_TS1 costs 90.967 real_cost = 128.450 FPSOLVER-SERVER_TS5-scwrl costs 159.500 real_cost = 345.190 FPSOLVER-SERVER_TS5 costs 159.500 real_cost = 345.455 FPSOLVER-SERVER_TS4-scwrl costs 140.985 real_cost = 310.188 FPSOLVER-SERVER_TS4 costs 140.985 real_cost = 308.257 FPSOLVER-SERVER_TS3-scwrl costs 150.450 real_cost = 331.725 FPSOLVER-SERVER_TS3 costs 150.450 real_cost = 331.730 FPSOLVER-SERVER_TS2-scwrl costs 146.800 real_cost = 338.838 FPSOLVER-SERVER_TS2 costs 146.800 real_cost = 339.861 FPSOLVER-SERVER_TS1-scwrl costs 144.948 real_cost = 338.774 FPSOLVER-SERVER_TS1 costs 144.948 real_cost = 338.770 FORTE2_AL5-scwrl costs 116.284 real_cost = 294.293 FORTE2_AL5 costs 116.222 real_cost = 384.532 FORTE2_AL4-scwrl costs 122.611 real_cost = 306.258 FORTE2_AL4 costs 122.523 real_cost = 368.335 FORTE2_AL3-scwrl costs 117.885 real_cost = 291.525 FORTE2_AL3 costs 118.030 real_cost = 362.262 FORTE2_AL2-scwrl costs 117.588 real_cost = 167.813 FORTE2_AL2 costs 117.657 real_cost = 212.818 FORTE2_AL1-scwrl costs 116.984 real_cost = 181.562 FORTE2_AL1 costs 117.012 real_cost = 248.802 FORTE1_AL5-scwrl costs 126.167 real_cost = 438.623 FORTE1_AL5 costs 126.167 real_cost = 436.927 FORTE1_AL4-scwrl costs 116.284 real_cost = 294.293 FORTE1_AL4 costs 116.222 real_cost = 384.532 FORTE1_AL3-scwrl costs 106.730 real_cost = 155.187 FORTE1_AL3 costs 106.831 real_cost = 223.370 FORTE1_AL2-scwrl costs 122.773 real_cost = 263.865 FORTE1_AL2 costs 122.803 real_cost = 312.568 FORTE1_AL1-scwrl costs 116.984 real_cost = 181.562 FORTE1_AL1 costs 117.012 real_cost = 248.802 FOLDpro_TS5-scwrl costs 109.803 real_cost = 338.727 FOLDpro_TS5 costs 109.803 real_cost = 339.833 FOLDpro_TS4-scwrl costs 101.598 real_cost = 274.638 FOLDpro_TS4 costs 101.598 real_cost = 275.433 FOLDpro_TS3-scwrl costs 118.344 real_cost = 335.199 FOLDpro_TS3 costs 118.344 real_cost = 335.123 FOLDpro_TS2-scwrl costs 107.601 real_cost = 281.371 FOLDpro_TS2 costs 107.601 real_cost = 281.800 FOLDpro_TS1-scwrl costs 100.302 real_cost = 213.282 FOLDpro_TS1 costs 100.302 real_cost = 214.128 FAMS_TS5-scwrl costs 99.814 real_cost = 176.358 FAMS_TS5 costs 99.814 real_cost = 182.280 FAMS_TS4-scwrl costs 116.228 real_cost = 120.459 FAMS_TS4 costs 116.228 real_cost = 113.379 FAMS_TS3-scwrl costs 99.765 real_cost = 166.794 FAMS_TS3 costs 99.765 real_cost = 179.662 FAMS_TS2-scwrl costs 82.123 real_cost = 76.098 FAMS_TS2 costs 82.123 real_cost = 55.257 FAMS_TS1-scwrl costs 88.035 real_cost = 129.190 FAMS_TS1 costs 88.035 real_cost = 132.074 FAMSD_TS5-scwrl costs 99.765 real_cost = 166.794 FAMSD_TS5 costs 99.765 real_cost = 179.662 FAMSD_TS4-scwrl costs 99.814 real_cost = 176.358 FAMSD_TS4 costs 99.814 real_cost = 182.280 FAMSD_TS3-scwrl costs 98.915 real_cost = 153.982 FAMSD_TS3 costs 98.913 real_cost = 156.329 FAMSD_TS2-scwrl costs 118.032 real_cost = 195.297 FAMSD_TS2 costs 118.165 real_cost = 201.960 FAMSD_TS1-scwrl costs 112.457 real_cost = 108.192 FAMSD_TS1 costs 112.457 real_cost = 104.523 Distill_TS5-scwrl costs 230.417 real_cost = 385.777 Distill_TS4-scwrl costs 232.063 real_cost = 372.223 Distill_TS3-scwrl costs 230.363 real_cost = 375.476 Distill_TS2-scwrl costs 232.071 real_cost = 355.161 Distill_TS1-scwrl costs 232.908 real_cost = 374.825 CaspIta-FOX_TS5-scwrl costs 120.154 real_cost = 423.195 CaspIta-FOX_TS5 costs 120.160 real_cost = 414.214 CaspIta-FOX_TS4-scwrl costs 98.749 real_cost = 347.973 CaspIta-FOX_TS4 costs 98.697 real_cost = 345.131 CaspIta-FOX_TS3-scwrl costs 123.219 real_cost = 358.893 CaspIta-FOX_TS3 costs 123.274 real_cost = 353.735 CaspIta-FOX_TS2-scwrl costs 83.778 real_cost = 7.455 CaspIta-FOX_TS2 costs 83.779 real_cost = 7.159 CaspIta-FOX_TS1-scwrl costs 113.100 real_cost = 422.310 CaspIta-FOX_TS1 costs 113.173 real_cost = 411.869 CIRCLE_TS5-scwrl costs 116.228 real_cost = 120.459 CIRCLE_TS5 costs 116.228 real_cost = 113.379 CIRCLE_TS4-scwrl costs 99.014 real_cost = 69.900 CIRCLE_TS4 costs 99.014 real_cost = 95.207 CIRCLE_TS3-scwrl costs 82.836 real_cost = 144.982 CIRCLE_TS3 costs 82.836 real_cost = 147.608 CIRCLE_TS2-scwrl costs 103.360 real_cost = 82.297 CIRCLE_TS2 costs 103.361 real_cost = 79.627 CIRCLE_TS1-scwrl costs 82.123 real_cost = 76.098 CIRCLE_TS1 costs 82.123 real_cost = 55.257 Bilab-ENABLE_TS1-scwrl costs 75.345 real_cost = 120.475 Bilab-ENABLE_TS1 costs 75.345 real_cost = 120.475 BayesHH_TS1-scwrl costs 99.448 real_cost = 126.516 BayesHH_TS1 costs 99.448 real_cost = 119.131 ABIpro_TS5-scwrl costs 121.075 real_cost = 301.576 ABIpro_TS5 costs 121.075 real_cost = 301.391 ABIpro_TS4-scwrl costs 100.468 real_cost = 262.832 ABIpro_TS4 costs 100.468 real_cost = 262.832 ABIpro_TS3-scwrl costs 79.165 real_cost = 218.802 ABIpro_TS3 costs 79.165 real_cost = 218.799 ABIpro_TS2-scwrl costs 88.237 real_cost = 245.246 ABIpro_TS2 costs 88.237 real_cost = 245.246 ABIpro_TS1-scwrl costs 90.185 real_cost = 244.432 ABIpro_TS1 costs 90.185 real_cost = 245.591 3Dpro_TS5-scwrl costs 90.185 real_cost = 244.432 3Dpro_TS5 costs 90.185 real_cost = 245.591 3Dpro_TS4-scwrl costs 106.523 real_cost = 273.661 3Dpro_TS4 costs 106.523 real_cost = 281.204 3Dpro_TS3-scwrl costs 111.462 real_cost = 359.992 3Dpro_TS3 costs 111.462 real_cost = 359.249 3Dpro_TS2-scwrl costs 111.001 real_cost = 204.704 3Dpro_TS2 costs 111.001 real_cost = 208.547 3Dpro_TS1-scwrl costs 100.302 real_cost = 213.282 3Dpro_TS1 costs 100.302 real_cost = 214.128 3D-JIGSAW_TS5-scwrl costs 126.029 real_cost = 289.035 3D-JIGSAW_TS5 costs 126.318 real_cost = 294.959 3D-JIGSAW_TS4-scwrl costs 116.550 real_cost = 328.326 3D-JIGSAW_TS4 costs 116.583 real_cost = 327.345 3D-JIGSAW_TS3-scwrl costs 116.360 real_cost = 339.605 3D-JIGSAW_TS3 costs 116.360 real_cost = 339.334 3D-JIGSAW_TS2-scwrl costs 97.174 real_cost = 299.427 3D-JIGSAW_TS2 costs 97.206 real_cost = 295.519 3D-JIGSAW_TS1-scwrl costs 114.398 real_cost = 298.525 3D-JIGSAW_TS1 costs 114.398 real_cost = 300.384 3D-JIGSAW_RECOM_TS5-scwrl costs 120.521 real_cost = 347.268 3D-JIGSAW_RECOM_TS5 costs 120.508 real_cost = 340.276 3D-JIGSAW_RECOM_TS4-scwrl costs 100.210 real_cost = 235.138 3D-JIGSAW_RECOM_TS4 costs 100.210 real_cost = 247.880 3D-JIGSAW_RECOM_TS3-scwrl costs 89.945 real_cost = 254.374 3D-JIGSAW_RECOM_TS3 costs 89.954 real_cost = 263.211 3D-JIGSAW_RECOM_TS2-scwrl costs 122.569 real_cost = 347.039 3D-JIGSAW_RECOM_TS2 costs 122.556 real_cost = 340.166 3D-JIGSAW_RECOM_TS1-scwrl costs 120.714 real_cost = 346.941 3D-JIGSAW_RECOM_TS1 costs 120.701 real_cost = 339.770 3D-JIGSAW_POPULUS_TS5-scwrl costs 98.540 real_cost = 340.739 3D-JIGSAW_POPULUS_TS5 costs 98.573 real_cost = 337.976 3D-JIGSAW_POPULUS_TS4-scwrl costs 97.487 real_cost = 308.303 3D-JIGSAW_POPULUS_TS4 costs 97.491 real_cost = 305.729 3D-JIGSAW_POPULUS_TS3-scwrl costs 106.269 real_cost = 328.198 3D-JIGSAW_POPULUS_TS3 costs 106.269 real_cost = 328.189 3D-JIGSAW_POPULUS_TS2-scwrl costs 96.872 real_cost = 321.796 3D-JIGSAW_POPULUS_TS2 costs 96.905 real_cost = 316.641 3D-JIGSAW_POPULUS_TS1-scwrl costs 86.474 real_cost = 270.529 3D-JIGSAW_POPULUS_TS1 costs 86.484 real_cost = 268.929 T0357.try9-opt2.repack-nonPC.pdb.gz costs 97.647 real_cost = 179.425 T0357.try9-opt2.pdb.gz costs 97.647 real_cost = 180.790 T0357.try9-opt2.gromacs0.repack-nonPC.pdb.gz costs 67.789 real_cost = 186.434 T0357.try9-opt2.gromacs0.pdb.gz costs 67.789 real_cost = 182.129 T0357.try9-opt1.pdb.gz costs 90.229 real_cost = 179.401 T0357.try9-opt1-scwrl.pdb.gz costs 90.229 real_cost = 183.077 T0357.try8-opt2.pdb.gz costs 101.634 real_cost = 190.874 T0357.try8-opt2.gromacs0.repack-nonPC.pdb.gz costs 79.521 real_cost = 200.195 T0357.try8-opt2.gromacs0.pdb.gz costs 87.021 real_cost = 193.231 T0357.try8-opt1.pdb.gz costs 94.751 real_cost = 195.866 T0357.try8-opt1-scwrl.pdb.gz costs 94.751 real_cost = 194.918 T0357.try6-opt2.repack-nonPC.pdb.gz costs 100.138 real_cost = 203.883 T0357.try6-opt2.pdb.gz costs 100.138 real_cost = 207.083 T0357.try6-opt2.gromacs0.repack-nonPC.pdb.gz costs 79.521 real_cost = 198.982 T0357.try6-opt2.gromacs0.pdb.gz costs 79.521 real_cost = 204.979 T0357.try6-opt1.pdb.gz costs 85.645 real_cost = 208.265 T0357.try6-opt1-scwrl.pdb.gz costs 85.645 real_cost = 204.751 T0357.try5-opt2.repack-nonPC.pdb.gz costs 84.427 real_cost = 224.205 T0357.try5-opt2.pdb.gz costs 84.427 real_cost = 225.970 T0357.try5-opt2.gromacs0.repack-nonPC.pdb.gz costs 73.660 real_cost = 224.345 T0357.try5-opt2.gromacs0.pdb.gz costs 73.660 real_cost = 227.320 T0357.try5-opt1.pdb.gz costs 79.216 real_cost = 220.472 T0357.try5-opt1-scwrl.pdb.gz costs 79.216 real_cost = 219.393 T0357.try4-opt2.repack-nonPC.pdb.gz costs 105.895 real_cost = 199.666 T0357.try4-opt2.pdb.gz costs 105.895 real_cost = 205.035 T0357.try4-opt2.gromacs0.repack-nonPC.pdb.gz costs 91.468 real_cost = 203.493 T0357.try4-opt2.gromacs0.pdb.gz costs 91.468 real_cost = 207.705 T0357.try4-opt1.pdb.gz costs 97.065 real_cost = 202.311 T0357.try4-opt1-scwrl.pdb.gz costs 97.065 real_cost = 205.497 T0357.try3-opt2.repack-nonPC.pdb.gz costs 96.898 real_cost = 177.310 T0357.try3-opt2.pdb.gz costs 96.898 real_cost = 179.171 T0357.try3-opt2.gromacs0.repack-nonPC.pdb.gz costs 72.772 real_cost = 184.928 T0357.try3-opt2.gromacs0.pdb.gz costs 72.772 real_cost = 182.535 T0357.try3-opt1.pdb.gz costs 85.195 real_cost = 185.480 T0357.try3-opt1-scwrl.pdb.gz costs 85.195 real_cost = 187.187 T0357.try2-opt2.repack-nonPC.pdb.gz costs 75.991 real_cost = 165.463 T0357.try2-opt2.pdb.gz costs 75.991 real_cost = 163.431 T0357.try2-opt2.gromacs0.repack-nonPC.pdb.gz costs 62.103 real_cost = 166.128 T0357.try2-opt2.gromacs0.pdb.gz costs 62.103 real_cost = 162.615 T0357.try2-opt1.pdb.gz costs 65.968 real_cost = 159.332 T0357.try2-opt1-scwrl.pdb.gz costs 65.968 real_cost = 158.047 T0357.try14-opt2.repack-nonPC.pdb.gz costs 91.116 real_cost = 200.746 T0357.try14-opt2.pdb.gz costs 91.116 real_cost = 199.643 T0357.try14-opt2.gromacs0.repack-nonPC.pdb.gz costs 72.480 real_cost = 207.729 T0357.try14-opt2.gromacs0.pdb.gz costs 72.480 real_cost = 203.553 T0357.try14-opt1.pdb.gz costs 84.696 real_cost = 200.416 T0357.try14-opt1-scwrl.pdb.gz costs 84.696 real_cost = 201.007 T0357.try13-opt2.repack-nonPC.pdb.gz costs 92.808 real_cost = 188.521 T0357.try13-opt2.pdb.gz costs 92.808 real_cost = 188.209 T0357.try13-opt2.gromacs0.repack-nonPC.pdb.gz costs 66.059 real_cost = 190.355 T0357.try13-opt2.gromacs0.pdb.gz costs 66.059 real_cost = 191.167 T0357.try13-opt1.pdb.gz costs 92.000 real_cost = 186.189 T0357.try13-opt1-scwrl.pdb.gz costs 92.000 real_cost = 186.746 T0357.try12-opt2.repack-nonPC.pdb.gz costs 96.232 real_cost = 187.264 T0357.try12-opt2.pdb.gz costs 96.232 real_cost = 185.780 T0357.try12-opt2.gromacs0.repack-nonPC.pdb.gz costs 67.675 real_cost = 183.936 T0357.try12-opt2.gromacs0.pdb.gz costs 67.675 real_cost = 185.974 T0357.try12-opt1.pdb.gz costs 92.536 real_cost = 183.053 T0357.try12-opt1-scwrl.pdb.gz costs 92.536 real_cost = 184.150 T0357.try11-opt2.repack-nonPC.pdb.gz costs 94.626 real_cost = 180.622 T0357.try11-opt2.pdb.gz costs 94.626 real_cost = 184.804 T0357.try11-opt2.gromacs0.repack-nonPC.pdb.gz costs 73.385 real_cost = 185.226 T0357.try11-opt2.gromacs0.pdb.gz costs 73.385 real_cost = 184.296 T0357.try11-opt1.pdb.gz costs 89.040 real_cost = 185.053 T0357.try11-opt1-scwrl.pdb.gz costs 89.040 real_cost = 182.648 T0357.try10-opt2.repack-nonPC.pdb.gz costs 100.759 real_cost = 194.120 T0357.try10-opt2.pdb.gz costs 100.759 real_cost = 194.149 T0357.try10-opt2.gromacs0.repack-nonPC.pdb.gz costs 77.069 real_cost = 191.857 T0357.try10-opt2.gromacs0.pdb.gz costs 77.069 real_cost = 192.774 T0357.try10-opt1.pdb.gz costs 95.799 real_cost = 189.708 T0357.try10-opt1-scwrl.pdb.gz costs 95.799 real_cost = 191.550 T0357.try1-opt2.repack-nonPC.pdb.gz costs 120.553 real_cost = 159.004 T0357.try1-opt2.pdb.gz costs 120.553 real_cost = 157.496 T0357.try1-opt2.gromacs0.repack-nonPC.pdb.gz costs 103.517 real_cost = 154.422 T0357.try1-opt2.gromacs0.pdb.gz costs 103.517 real_cost = 151.798 T0357.try1-opt1.pdb.gz costs 111.940 real_cost = 158.938 T0357.try1-opt1-scwrl.pdb.gz costs 111.940 real_cost = 156.929 ../model5.ts-submitted costs 120.553 real_cost = 157.517 ../model4.ts-submitted costs 72.480 real_cost = 207.656 ../model3.ts-submitted costs 74.799 real_cost = 163.417 ../model2.ts-submitted costs 67.789 real_cost = 186.468 ../model1.ts-submitted costs 92.808 real_cost = 188.020 align5 costs 130.322 real_cost = 377.457 align4 costs 118.671 real_cost = 477.605 align3 costs 115.707 real_cost = 295.217 align2 costs 88.993 real_cost = 322.814 align1 costs 98.109 real_cost = 321.487 T0357.try1-opt2.pdb costs 120.553 real_cost = 157.503 model5-scwrl costs 120.553 real_cost = 159.697 model5.ts-submitted costs 120.553 real_cost = 157.517 model4-scwrl costs 72.480 real_cost = 204.109 model4.ts-submitted costs 72.480 real_cost = 207.656 model3-scwrl costs 74.799 real_cost = 161.798 model3.ts-submitted costs 74.799 real_cost = 163.417 model2-scwrl costs 67.789 real_cost = 179.313 model2.ts-submitted costs 67.789 real_cost = 186.468 model1-scwrl costs 92.808 real_cost = 186.990 model1.ts-submitted costs 92.808 real_cost = 188.021 2hi6A costs 59.168 real_cost = -878.000 # command:CPU_time= 615.812 sec, elapsed time= 1001.334 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/T0357'