make[1]: Entering directory `/projects/compbio/experiments/protein-predict/casp7/T0357' 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.predburial.rdb sed -e s/XXX0000/T0357/ -e s/START_COL/1/ \ -e s/COSTFCN/predburial/ \ -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 1174278664 # command:# Prefix for input files set to /projects/compbio/experiments/undertaker/atoms-inputs/ # command:# reading monomeric-50pc.atoms # After reading monomeric-50pc.atoms have 448 chains in training database # Count of chains,residues,atoms: 448,112605,876684 # 109826 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 1959 # Note: may sum to more than number of residues, # because one residue may have multiple problems # command:# Reading rotamer library from dunbrack-1332.rot # command:# Prefix for input files set to /projects/compbio/experiments/undertaker/spots/ # command:# ReadAtomType exp-pdb.types Read AtomType exp-pdb with 49 types. # command:# ReadClashTable exp-pdb-2191-2symm.clash # Read ClashTable exp-pdb-2191-2symm checking bonds symmetric at MaxSep 2 # command:# command:CPU_time= 6.12807 sec, elapsed time= 14.5146 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 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 6.5 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 6.5 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 6.5 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 9.65 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 8.9 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 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 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 with spots at monomeric-50pc-dry-12.spot # command:# reading histogram from dunbrack-2191-alpha.hist # created alpha cost function alpha with offset 0 and 360 bins # command:# reading histogram from dunbrack-2191-alpha-1.hist # created alpha cost function alpha_prev with offset -1 and 360 bins # command:# Prefix for input files set to /projects/compbio/lib/alphabet/ # command:# Read 3 alphabets from alpha.alphabet # command:CPU_time= 6.20706 sec, elapsed time= 14.7063 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:# 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 * real_hbond + 50 * real_hbond_u + 50 * decoy_hbond + 50 * decoy_hbond_u + 10 * real_NO_hbond + 10 * real_NO_hbond_u + 10 * decoy_NO_hbond + 10 * decoy_NO_hbond_u + 10 * knot + 200 * clens + 0 * rmsd + 35 * log_rmsd + 0 * rmsd_ca + 30 * log_rmsd_ca + 1 * GDT + 1 * smooth_GDT + 0.2 * missing_atoms ) # command:# SetCost created cost = # ) # command:# reading script from file predburial.costfcn # Prefix for input files set to /projects/compbio/experiments/undertaker/spots/ # reading histogram from smoothed-near-backbone-2spot.hist # created burial cost function nb11 with radius 9.65 with spots at near-backbone-center.spot counting only near-backbone-count.spot # Prefix for input files set to # Prefix for input files set to /projects/compbio/lib/alphabet/ # Read 5 alphabets from two-spot-burial.alphabet # Prefix for input files set to # created predicted BurialPredCostFcn pred_nb11_2k # created predicted BurialPredCostFcn pred_nb11_2k_simple # created predicted BurialPredCostFcn pred_nb11_04 # created predicted BurialPredCostFcn pred_nb11_04_simple # created predicted BurialPredCostFcn pred_nb11_06 # created predicted BurialPredCostFcn pred_nb11_06_simple # reading predictions from T0357.t2k.alpha.rdb # created predicted alpha cost function pred_alpha2k with 360 bins smoothing outer_iter=2 inner_iter=1 width=7 # reading predictions from T0357.t04.alpha.rdb # created predicted alpha cost function pred_alpha04 with 360 bins smoothing outer_iter=2 inner_iter=1 width=7 # reading predictions from T0357.t06.alpha.rdb # created predicted alpha cost function pred_alpha06 with 360 bins smoothing outer_iter=2 inner_iter=1 width=7 # Prefix for input files set to /projects/compbio/experiments/undertaker/spots/ # reading histogram from smoothed-monomeric-50pc-CB14.hist # created burial cost function cb14 with radius 14 with spots at CB counting only CB # Prefix for input files set to # Prefix for input files set to /projects/compbio/lib/alphabet/ # Read 28 alphabets from burial.alphabet # Prefix for input files set to # created predicted BurialPredCostFcn pred_cb14_2k # created predicted BurialPredCostFcn pred_cb14_2k_simple # created predicted BurialPredCostFcn pred_cb14_04 # created predicted BurialPredCostFcn pred_cb14_04_simple # created predicted BurialPredCostFcn pred_cb14_06 # created predicted BurialPredCostFcn pred_cb14_06_simple Unrecognized cost function c_beta for SetCost Unrecognized cost function 5 for SetCost # SetCost created cost = # ( 15 * wet6.5(6.5, /log(length)) + 5 * near_backbone(9.65) + 5 * way_back(8.9) + 15 * dry5(5) + 20 * dry6.5(6.5) + 15 * dry8(8) + 5 * dry12(12) + 5 * nb11(9.65) + 5 * pred_nb11_2k_simple(9.65) + 5 * pred_nb11_2k(9.65) + 5 * pred_nb11_04_simple(9.65) + 5 * pred_nb11_04(9.65) + 5 * pred_nb11_06_simple(9.65) + 5 * pred_nb11_06(9.65) + 5 * cb14(14) + 5 * pred_cb14_2k_simple(14) + 5 * pred_cb14_2k(14) + 5 * pred_cb14_04_simple(14) + 5 * pred_cb14_04(14) + 5 * pred_cb14_06_simple(14) + 5 * pred_cb14_06(14) + 2 * phobic_fit + 10 * n_ca_c + 20 * bad_peptide + 5 * sidechain + 8 * bystroff + 20 * soft_clashes + 2 * backbone_clashes + 50 * break + 3 * pred_alpha2k + 4 * pred_alpha04 + 5 * pred_alpha06 + 5 * hbond_geom + 10 * hbond_geom_backbone + 50 * hbond_geom_beta + 100 * hbond_geom_beta_pair + 1 * missing_atoms ) # command:CPU_time= 8.94764 sec, elapsed time= 20.7962 sec) # command:# Prefix for input files set to # command:# ReadConformPDB reading from PDB file model1.ts-submitted looking for model 1 # Found a chain break before 137 # copying to AlignedFragments data structure # command:# fraction of real conformation used = 1 # GDT_score = -34.2803 # GDT_score(maxd=8,maxw=2.9)= -33.5307 # GDT_score(maxd=8,maxw=3.2)= -31.7531 # GDT_score(maxd=8,maxw=3.5)= -30.0518 # GDT_score(maxd=10,maxw=3.8)= -32.7622 # GDT_score(maxd=10,maxw=4)= -31.6705 # GDT_score(maxd=10,maxw=4.2)= -30.6511 # GDT_score(maxd=12,maxw=4.3)= -33.6561 # GDT_score(maxd=12,maxw=4.5)= -32.604 # GDT_score(maxd=12,maxw=4.7)= -31.5938 # GDT_score(maxd=14,maxw=5.2)= -32.0648 # GDT_score(maxd=14,maxw=5.5)= -30.6582 # command:# Prefix for output files set to # command: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 ; scwrl -i /var/tmp/to_scwrl_889626577.pdb -s /var/tmp/to_scwrl_889626577.seq -o /var/tmp/from_scwrl_889626577.pdb > /var/tmp/scwrl_889626577.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_889626577.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 106 # copying to AlignedFragments data structure # command:# 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 ; scwrl -i /var/tmp/to_scwrl_423016056.pdb -s /var/tmp/to_scwrl_423016056.seq -o /var/tmp/from_scwrl_423016056.pdb > /var/tmp/scwrl_423016056.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_423016056.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:# 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 ; scwrl -i /var/tmp/to_scwrl_187996463.pdb -s /var/tmp/to_scwrl_187996463.seq -o /var/tmp/from_scwrl_187996463.pdb > /var/tmp/scwrl_187996463.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_187996463.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:# 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 ; scwrl -i /var/tmp/to_scwrl_842291370.pdb -s /var/tmp/to_scwrl_842291370.seq -o /var/tmp/from_scwrl_842291370.pdb > /var/tmp/scwrl_842291370.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_842291370.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:# 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 ; scwrl -i /var/tmp/to_scwrl_480724362.pdb -s /var/tmp/to_scwrl_480724362.seq -o /var/tmp/from_scwrl_480724362.pdb > /var/tmp/scwrl_480724362.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_480724362.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:# 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: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: incomplete conformation T0357 can't currently be optimized by undertaker # command:# naming current conformation align1 # command:# 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: incomplete conformation T0357 can't currently be optimized by undertaker # command:# naming current conformation align2 # command:# 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: 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: 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: 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 106 # 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 118 # 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 118 # 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 125 # 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 125 # 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 127 # 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 127 # 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 137 # 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 137 # 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 98 # 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 98 # 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 122 # 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 122 # 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 127 # 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 122 # 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 106 # 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 106 # 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 ; scwrl -i /var/tmp/to_scwrl_690343352.pdb -s /var/tmp/to_scwrl_690343352.seq -o /var/tmp/from_scwrl_690343352.pdb > /var/tmp/scwrl_690343352.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_690343352.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 ; scwrl -i /var/tmp/to_scwrl_364529131.pdb -s /var/tmp/to_scwrl_364529131.seq -o /var/tmp/from_scwrl_364529131.pdb > /var/tmp/scwrl_364529131.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_364529131.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 ; scwrl -i /var/tmp/to_scwrl_1594871669.pdb -s /var/tmp/to_scwrl_1594871669.seq -o /var/tmp/from_scwrl_1594871669.pdb > /var/tmp/scwrl_1594871669.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1594871669.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 ; scwrl -i /var/tmp/to_scwrl_1142310981.pdb -s /var/tmp/to_scwrl_1142310981.seq -o /var/tmp/from_scwrl_1142310981.pdb > /var/tmp/scwrl_1142310981.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1142310981.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 ; scwrl -i /var/tmp/to_scwrl_1777268491.pdb -s /var/tmp/to_scwrl_1777268491.seq -o /var/tmp/from_scwrl_1777268491.pdb > /var/tmp/scwrl_1777268491.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1777268491.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 ; scwrl -i /var/tmp/to_scwrl_1635051147.pdb -s /var/tmp/to_scwrl_1635051147.seq -o /var/tmp/from_scwrl_1635051147.pdb > /var/tmp/scwrl_1635051147.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1635051147.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 ; scwrl -i /var/tmp/to_scwrl_364889423.pdb -s /var/tmp/to_scwrl_364889423.seq -o /var/tmp/from_scwrl_364889423.pdb > /var/tmp/scwrl_364889423.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_364889423.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 ; scwrl -i /var/tmp/to_scwrl_72953787.pdb -s /var/tmp/to_scwrl_72953787.seq -o /var/tmp/from_scwrl_72953787.pdb > /var/tmp/scwrl_72953787.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_72953787.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 ; scwrl -i /var/tmp/to_scwrl_824777207.pdb -s /var/tmp/to_scwrl_824777207.seq -o /var/tmp/from_scwrl_824777207.pdb > /var/tmp/scwrl_824777207.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_824777207.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 ; scwrl -i /var/tmp/to_scwrl_1280471123.pdb -s /var/tmp/to_scwrl_1280471123.seq -o /var/tmp/from_scwrl_1280471123.pdb > /var/tmp/scwrl_1280471123.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1280471123.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 138 # copying to AlignedFragments data structure # naming current conformation 3D-JIGSAW_TS1 # request to SCWRL produces command: ulimit -t 127 ; scwrl -i /var/tmp/to_scwrl_1470990511.pdb -s /var/tmp/to_scwrl_1470990511.seq -o /var/tmp/from_scwrl_1470990511.pdb > /var/tmp/scwrl_1470990511.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1470990511.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 ; scwrl -i /var/tmp/to_scwrl_353246478.pdb -s /var/tmp/to_scwrl_353246478.seq -o /var/tmp/from_scwrl_353246478.pdb > /var/tmp/scwrl_353246478.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_353246478.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 ; scwrl -i /var/tmp/to_scwrl_809372325.pdb -s /var/tmp/to_scwrl_809372325.seq -o /var/tmp/from_scwrl_809372325.pdb > /var/tmp/scwrl_809372325.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_809372325.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 ; scwrl -i /var/tmp/to_scwrl_1750151406.pdb -s /var/tmp/to_scwrl_1750151406.seq -o /var/tmp/from_scwrl_1750151406.pdb > /var/tmp/scwrl_1750151406.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1750151406.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 ; scwrl -i /var/tmp/to_scwrl_1307118268.pdb -s /var/tmp/to_scwrl_1307118268.seq -o /var/tmp/from_scwrl_1307118268.pdb > /var/tmp/scwrl_1307118268.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1307118268.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 128 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS1 # request to SCWRL produces command: ulimit -t 127 ; scwrl -i /var/tmp/to_scwrl_1978944248.pdb -s /var/tmp/to_scwrl_1978944248.seq -o /var/tmp/from_scwrl_1978944248.pdb > /var/tmp/scwrl_1978944248.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1978944248.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 ; scwrl -i /var/tmp/to_scwrl_1950415591.pdb -s /var/tmp/to_scwrl_1950415591.seq -o /var/tmp/from_scwrl_1950415591.pdb > /var/tmp/scwrl_1950415591.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1950415591.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 137 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS3 # request to SCWRL produces command: ulimit -t 127 ; scwrl -i /var/tmp/to_scwrl_2119086206.pdb -s /var/tmp/to_scwrl_2119086206.seq -o /var/tmp/from_scwrl_2119086206.pdb > /var/tmp/scwrl_2119086206.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2119086206.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 131 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS4 # request to SCWRL produces command: ulimit -t 127 ; scwrl -i /var/tmp/to_scwrl_198999849.pdb -s /var/tmp/to_scwrl_198999849.seq -o /var/tmp/from_scwrl_198999849.pdb > /var/tmp/scwrl_198999849.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_198999849.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 ; scwrl -i /var/tmp/to_scwrl_1150734233.pdb -s /var/tmp/to_scwrl_1150734233.seq -o /var/tmp/from_scwrl_1150734233.pdb > /var/tmp/scwrl_1150734233.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1150734233.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 ; scwrl -i /var/tmp/to_scwrl_130697794.pdb -s /var/tmp/to_scwrl_130697794.seq -o /var/tmp/from_scwrl_130697794.pdb > /var/tmp/scwrl_130697794.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_130697794.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 123 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS2 # request to SCWRL produces command: ulimit -t 127 ; scwrl -i /var/tmp/to_scwrl_669326409.pdb -s /var/tmp/to_scwrl_669326409.seq -o /var/tmp/from_scwrl_669326409.pdb > /var/tmp/scwrl_669326409.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_669326409.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 ; scwrl -i /var/tmp/to_scwrl_765285936.pdb -s /var/tmp/to_scwrl_765285936.seq -o /var/tmp/from_scwrl_765285936.pdb > /var/tmp/scwrl_765285936.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_765285936.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 ; scwrl -i /var/tmp/to_scwrl_47988030.pdb -s /var/tmp/to_scwrl_47988030.seq -o /var/tmp/from_scwrl_47988030.pdb > /var/tmp/scwrl_47988030.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_47988030.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 ; scwrl -i /var/tmp/to_scwrl_1911738056.pdb -s /var/tmp/to_scwrl_1911738056.seq -o /var/tmp/from_scwrl_1911738056.pdb > /var/tmp/scwrl_1911738056.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1911738056.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 74 # copying to AlignedFragments data structure # naming current conformation BayesHH_TS1 # request to SCWRL produces command: ulimit -t 127 ; scwrl -i /var/tmp/to_scwrl_1520498655.pdb -s /var/tmp/to_scwrl_1520498655.seq -o /var/tmp/from_scwrl_1520498655.pdb > /var/tmp/scwrl_1520498655.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1520498655.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 ; scwrl -i /var/tmp/to_scwrl_937614607.pdb -s /var/tmp/to_scwrl_937614607.seq -o /var/tmp/from_scwrl_937614607.pdb > /var/tmp/scwrl_937614607.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_937614607.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 135 # copying to AlignedFragments data structure # naming current conformation CIRCLE_TS1 # request to SCWRL produces command: ulimit -t 127 ; scwrl -i /var/tmp/to_scwrl_187270465.pdb -s /var/tmp/to_scwrl_187270465.seq -o /var/tmp/from_scwrl_187270465.pdb > /var/tmp/scwrl_187270465.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_187270465.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 ; scwrl -i /var/tmp/to_scwrl_1708495118.pdb -s /var/tmp/to_scwrl_1708495118.seq -o /var/tmp/from_scwrl_1708495118.pdb > /var/tmp/scwrl_1708495118.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1708495118.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 ; scwrl -i /var/tmp/to_scwrl_1779905976.pdb -s /var/tmp/to_scwrl_1779905976.seq -o /var/tmp/from_scwrl_1779905976.pdb > /var/tmp/scwrl_1779905976.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1779905976.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 139 # copying to AlignedFragments data structure # naming current conformation CIRCLE_TS4 # request to SCWRL produces command: ulimit -t 127 ; scwrl -i /var/tmp/to_scwrl_667994827.pdb -s /var/tmp/to_scwrl_667994827.seq -o /var/tmp/from_scwrl_667994827.pdb > /var/tmp/scwrl_667994827.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_667994827.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 137 # copying to AlignedFragments data structure # naming current conformation CIRCLE_TS5 # request to SCWRL produces command: ulimit -t 127 ; scwrl -i /var/tmp/to_scwrl_251354824.pdb -s /var/tmp/to_scwrl_251354824.seq -o /var/tmp/from_scwrl_251354824.pdb > /var/tmp/scwrl_251354824.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_251354824.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 ; scwrl -i /var/tmp/to_scwrl_2144435108.pdb -s /var/tmp/to_scwrl_2144435108.seq -o /var/tmp/from_scwrl_2144435108.pdb > /var/tmp/scwrl_2144435108.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2144435108.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 ; scwrl -i /var/tmp/to_scwrl_115382850.pdb -s /var/tmp/to_scwrl_115382850.seq -o /var/tmp/from_scwrl_115382850.pdb > /var/tmp/scwrl_115382850.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_115382850.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 ; scwrl -i /var/tmp/to_scwrl_1393665805.pdb -s /var/tmp/to_scwrl_1393665805.seq -o /var/tmp/from_scwrl_1393665805.pdb > /var/tmp/scwrl_1393665805.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1393665805.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 ; scwrl -i /var/tmp/to_scwrl_1774219952.pdb -s /var/tmp/to_scwrl_1774219952.seq -o /var/tmp/from_scwrl_1774219952.pdb > /var/tmp/scwrl_1774219952.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1774219952.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 ; scwrl -i /var/tmp/to_scwrl_1750433997.pdb -s /var/tmp/to_scwrl_1750433997.seq -o /var/tmp/from_scwrl_1750433997.pdb > /var/tmp/scwrl_1750433997.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1750433997.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 ; scwrl -i /var/tmp/to_scwrl_1758555229.pdb -s /var/tmp/to_scwrl_1758555229.seq -o /var/tmp/from_scwrl_1758555229.pdb > /var/tmp/scwrl_1758555229.log Error: can't open any of /var/tmp/from_scwrl_1758555229.pdb or /var/tmp/from_scwrl_1758555229_b.pdb or /var/tmp/from_scwrl_1758555229_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 ; scwrl -i /var/tmp/to_scwrl_1847173739.pdb -s /var/tmp/to_scwrl_1847173739.seq -o /var/tmp/from_scwrl_1847173739.pdb > /var/tmp/scwrl_1847173739.log Error: can't open any of /var/tmp/from_scwrl_1847173739.pdb or /var/tmp/from_scwrl_1847173739_b.pdb or /var/tmp/from_scwrl_1847173739_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 ; scwrl -i /var/tmp/to_scwrl_427727557.pdb -s /var/tmp/to_scwrl_427727557.seq -o /var/tmp/from_scwrl_427727557.pdb > /var/tmp/scwrl_427727557.log Error: can't open any of /var/tmp/from_scwrl_427727557.pdb or /var/tmp/from_scwrl_427727557_b.pdb or /var/tmp/from_scwrl_427727557_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 ; scwrl -i /var/tmp/to_scwrl_891542706.pdb -s /var/tmp/to_scwrl_891542706.seq -o /var/tmp/from_scwrl_891542706.pdb > /var/tmp/scwrl_891542706.log Error: can't open any of /var/tmp/from_scwrl_891542706.pdb or /var/tmp/from_scwrl_891542706_b.pdb or /var/tmp/from_scwrl_891542706_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 ; scwrl -i /var/tmp/to_scwrl_1170680603.pdb -s /var/tmp/to_scwrl_1170680603.seq -o /var/tmp/from_scwrl_1170680603.pdb > /var/tmp/scwrl_1170680603.log Error: can't open any of /var/tmp/from_scwrl_1170680603.pdb or /var/tmp/from_scwrl_1170680603_b.pdb or /var/tmp/from_scwrl_1170680603_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 140 # copying to AlignedFragments data structure # naming current conformation FAMSD_TS1 # request to SCWRL produces command: ulimit -t 127 ; scwrl -i /var/tmp/to_scwrl_780974036.pdb -s /var/tmp/to_scwrl_780974036.seq -o /var/tmp/from_scwrl_780974036.pdb > /var/tmp/scwrl_780974036.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_780974036.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 ; scwrl -i /var/tmp/to_scwrl_1700915030.pdb -s /var/tmp/to_scwrl_1700915030.seq -o /var/tmp/from_scwrl_1700915030.pdb > /var/tmp/scwrl_1700915030.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1700915030.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 ; scwrl -i /var/tmp/to_scwrl_773348363.pdb -s /var/tmp/to_scwrl_773348363.seq -o /var/tmp/from_scwrl_773348363.pdb > /var/tmp/scwrl_773348363.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_773348363.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 ; scwrl -i /var/tmp/to_scwrl_2088092304.pdb -s /var/tmp/to_scwrl_2088092304.seq -o /var/tmp/from_scwrl_2088092304.pdb > /var/tmp/scwrl_2088092304.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2088092304.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 ; scwrl -i /var/tmp/to_scwrl_1532375631.pdb -s /var/tmp/to_scwrl_1532375631.seq -o /var/tmp/from_scwrl_1532375631.pdb > /var/tmp/scwrl_1532375631.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1532375631.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 139 # copying to AlignedFragments data structure # naming current conformation FAMS_TS1 # request to SCWRL produces command: ulimit -t 127 ; scwrl -i /var/tmp/to_scwrl_576280308.pdb -s /var/tmp/to_scwrl_576280308.seq -o /var/tmp/from_scwrl_576280308.pdb > /var/tmp/scwrl_576280308.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_576280308.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 135 # copying to AlignedFragments data structure # naming current conformation FAMS_TS2 # request to SCWRL produces command: ulimit -t 127 ; scwrl -i /var/tmp/to_scwrl_2059694863.pdb -s /var/tmp/to_scwrl_2059694863.seq -o /var/tmp/from_scwrl_2059694863.pdb > /var/tmp/scwrl_2059694863.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2059694863.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 ; scwrl -i /var/tmp/to_scwrl_1731375480.pdb -s /var/tmp/to_scwrl_1731375480.seq -o /var/tmp/from_scwrl_1731375480.pdb > /var/tmp/scwrl_1731375480.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1731375480.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 137 # copying to AlignedFragments data structure # naming current conformation FAMS_TS4 # request to SCWRL produces command: ulimit -t 127 ; scwrl -i /var/tmp/to_scwrl_1727014541.pdb -s /var/tmp/to_scwrl_1727014541.seq -o /var/tmp/from_scwrl_1727014541.pdb > /var/tmp/scwrl_1727014541.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1727014541.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 ; scwrl -i /var/tmp/to_scwrl_42909010.pdb -s /var/tmp/to_scwrl_42909010.seq -o /var/tmp/from_scwrl_42909010.pdb > /var/tmp/scwrl_42909010.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_42909010.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 128 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS1 # request to SCWRL produces command: ulimit -t 127 ; scwrl -i /var/tmp/to_scwrl_253218242.pdb -s /var/tmp/to_scwrl_253218242.seq -o /var/tmp/from_scwrl_253218242.pdb > /var/tmp/scwrl_253218242.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_253218242.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 131 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS2 # request to SCWRL produces command: ulimit -t 127 ; scwrl -i /var/tmp/to_scwrl_344816830.pdb -s /var/tmp/to_scwrl_344816830.seq -o /var/tmp/from_scwrl_344816830.pdb > /var/tmp/scwrl_344816830.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_344816830.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 66 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS3 # request to SCWRL produces command: ulimit -t 127 ; scwrl -i /var/tmp/to_scwrl_90897040.pdb -s /var/tmp/to_scwrl_90897040.seq -o /var/tmp/from_scwrl_90897040.pdb > /var/tmp/scwrl_90897040.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_90897040.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 103 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS4 # request to SCWRL produces command: ulimit -t 127 ; scwrl -i /var/tmp/to_scwrl_17472651.pdb -s /var/tmp/to_scwrl_17472651.seq -o /var/tmp/from_scwrl_17472651.pdb > /var/tmp/scwrl_17472651.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_17472651.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 ; scwrl -i /var/tmp/to_scwrl_1865315485.pdb -s /var/tmp/to_scwrl_1865315485.seq -o /var/tmp/from_scwrl_1865315485.pdb > /var/tmp/scwrl_1865315485.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1865315485.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 ; scwrl -i /var/tmp/to_scwrl_1028511647.pdb -s /var/tmp/to_scwrl_1028511647.seq -o /var/tmp/from_scwrl_1028511647.pdb > /var/tmp/scwrl_1028511647.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1028511647.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 ; scwrl -i /var/tmp/to_scwrl_204743116.pdb -s /var/tmp/to_scwrl_204743116.seq -o /var/tmp/from_scwrl_204743116.pdb > /var/tmp/scwrl_204743116.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_204743116.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 ; scwrl -i /var/tmp/to_scwrl_1426326957.pdb -s /var/tmp/to_scwrl_1426326957.seq -o /var/tmp/from_scwrl_1426326957.pdb > /var/tmp/scwrl_1426326957.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1426326957.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 ; scwrl -i /var/tmp/to_scwrl_660933977.pdb -s /var/tmp/to_scwrl_660933977.seq -o /var/tmp/from_scwrl_660933977.pdb > /var/tmp/scwrl_660933977.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_660933977.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 ; scwrl -i /var/tmp/to_scwrl_872737944.pdb -s /var/tmp/to_scwrl_872737944.seq -o /var/tmp/from_scwrl_872737944.pdb > /var/tmp/scwrl_872737944.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_872737944.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 ; scwrl -i /var/tmp/to_scwrl_1677681781.pdb -s /var/tmp/to_scwrl_1677681781.seq -o /var/tmp/from_scwrl_1677681781.pdb > /var/tmp/scwrl_1677681781.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1677681781.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 ; scwrl -i /var/tmp/to_scwrl_657885438.pdb -s /var/tmp/to_scwrl_657885438.seq -o /var/tmp/from_scwrl_657885438.pdb > /var/tmp/scwrl_657885438.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_657885438.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 ; scwrl -i /var/tmp/to_scwrl_988120794.pdb -s /var/tmp/to_scwrl_988120794.seq -o /var/tmp/from_scwrl_988120794.pdb > /var/tmp/scwrl_988120794.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_988120794.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 ; scwrl -i /var/tmp/to_scwrl_923863940.pdb -s /var/tmp/to_scwrl_923863940.seq -o /var/tmp/from_scwrl_923863940.pdb > /var/tmp/scwrl_923863940.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_923863940.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 ; scwrl -i /var/tmp/to_scwrl_284621743.pdb -s /var/tmp/to_scwrl_284621743.seq -o /var/tmp/from_scwrl_284621743.pdb > /var/tmp/scwrl_284621743.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_284621743.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 ; scwrl -i /var/tmp/to_scwrl_591071144.pdb -s /var/tmp/to_scwrl_591071144.seq -o /var/tmp/from_scwrl_591071144.pdb > /var/tmp/scwrl_591071144.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_591071144.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 # Found a chain break before 116 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS2 # request to SCWRL produces command: ulimit -t 127 ; scwrl -i /var/tmp/to_scwrl_534935522.pdb -s /var/tmp/to_scwrl_534935522.seq -o /var/tmp/from_scwrl_534935522.pdb > /var/tmp/scwrl_534935522.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_534935522.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 140 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS3 # request to SCWRL produces command: ulimit -t 127 ; scwrl -i /var/tmp/to_scwrl_2131795482.pdb -s /var/tmp/to_scwrl_2131795482.seq -o /var/tmp/from_scwrl_2131795482.pdb > /var/tmp/scwrl_2131795482.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2131795482.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 140 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS4 # request to SCWRL produces command: ulimit -t 127 ; scwrl -i /var/tmp/to_scwrl_1018798701.pdb -s /var/tmp/to_scwrl_1018798701.seq -o /var/tmp/from_scwrl_1018798701.pdb > /var/tmp/scwrl_1018798701.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1018798701.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 137 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS5 # request to SCWRL produces command: ulimit -t 127 ; scwrl -i /var/tmp/to_scwrl_1426478227.pdb -s /var/tmp/to_scwrl_1426478227.seq -o /var/tmp/from_scwrl_1426478227.pdb > /var/tmp/scwrl_1426478227.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1426478227.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 140 # copying to AlignedFragments data structure # naming current conformation FUGMOD_TS1 # request to SCWRL produces command: ulimit -t 127 ; scwrl -i /var/tmp/to_scwrl_1154992438.pdb -s /var/tmp/to_scwrl_1154992438.seq -o /var/tmp/from_scwrl_1154992438.pdb > /var/tmp/scwrl_1154992438.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1154992438.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 121 # copying to AlignedFragments data structure # naming current conformation FUGMOD_TS2 # request to SCWRL produces command: ulimit -t 127 ; scwrl -i /var/tmp/to_scwrl_1799772736.pdb -s /var/tmp/to_scwrl_1799772736.seq -o /var/tmp/from_scwrl_1799772736.pdb > /var/tmp/scwrl_1799772736.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1799772736.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 # Found a chain break before 100 # copying to AlignedFragments data structure # naming current conformation FUGMOD_TS3 # request to SCWRL produces command: ulimit -t 127 ; scwrl -i /var/tmp/to_scwrl_979909611.pdb -s /var/tmp/to_scwrl_979909611.seq -o /var/tmp/from_scwrl_979909611.pdb > /var/tmp/scwrl_979909611.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_979909611.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 ; scwrl -i /var/tmp/to_scwrl_1928340802.pdb -s /var/tmp/to_scwrl_1928340802.seq -o /var/tmp/from_scwrl_1928340802.pdb > /var/tmp/scwrl_1928340802.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1928340802.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 ; scwrl -i /var/tmp/to_scwrl_1740381394.pdb -s /var/tmp/to_scwrl_1740381394.seq -o /var/tmp/from_scwrl_1740381394.pdb > /var/tmp/scwrl_1740381394.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1740381394.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 ; scwrl -i /var/tmp/to_scwrl_364801595.pdb -s /var/tmp/to_scwrl_364801595.seq -o /var/tmp/from_scwrl_364801595.pdb > /var/tmp/scwrl_364801595.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_364801595.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 ; scwrl -i /var/tmp/to_scwrl_357137463.pdb -s /var/tmp/to_scwrl_357137463.seq -o /var/tmp/from_scwrl_357137463.pdb > /var/tmp/scwrl_357137463.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_357137463.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 ; scwrl -i /var/tmp/to_scwrl_1652592610.pdb -s /var/tmp/to_scwrl_1652592610.seq -o /var/tmp/from_scwrl_1652592610.pdb > /var/tmp/scwrl_1652592610.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1652592610.pdb # conformation set from SCWRL output # naming current conformation FUGUE_AL3-scwrl # ReadConformPDB reading from PDB file servers/FUGUE_AL4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0357 can't currently be optimized by undertaker # naming current conformation FUGUE_AL4 # request to SCWRL produces command: ulimit -t 127 ; scwrl -i /var/tmp/to_scwrl_2096177075.pdb -s /var/tmp/to_scwrl_2096177075.seq -o /var/tmp/from_scwrl_2096177075.pdb > /var/tmp/scwrl_2096177075.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2096177075.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 ; scwrl -i /var/tmp/to_scwrl_2084152004.pdb -s /var/tmp/to_scwrl_2084152004.seq -o /var/tmp/from_scwrl_2084152004.pdb > /var/tmp/scwrl_2084152004.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2084152004.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 ; scwrl -i /var/tmp/to_scwrl_1695501621.pdb -s /var/tmp/to_scwrl_1695501621.seq -o /var/tmp/from_scwrl_1695501621.pdb > /var/tmp/scwrl_1695501621.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1695501621.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 ; scwrl -i /var/tmp/to_scwrl_201911670.pdb -s /var/tmp/to_scwrl_201911670.seq -o /var/tmp/from_scwrl_201911670.pdb > /var/tmp/scwrl_201911670.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_201911670.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 ; scwrl -i /var/tmp/to_scwrl_281485188.pdb -s /var/tmp/to_scwrl_281485188.seq -o /var/tmp/from_scwrl_281485188.pdb > /var/tmp/scwrl_281485188.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_281485188.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 137 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS4 # request to SCWRL produces command: ulimit -t 127 ; scwrl -i /var/tmp/to_scwrl_1786398661.pdb -s /var/tmp/to_scwrl_1786398661.seq -o /var/tmp/from_scwrl_1786398661.pdb > /var/tmp/scwrl_1786398661.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1786398661.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 ; scwrl -i /var/tmp/to_scwrl_219384321.pdb -s /var/tmp/to_scwrl_219384321.seq -o /var/tmp/from_scwrl_219384321.pdb > /var/tmp/scwrl_219384321.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_219384321.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 81 # copying to AlignedFragments data structure # naming current conformation GeneSilicoMetaServer_TS1 # request to SCWRL produces command: ulimit -t 127 ; scwrl -i /var/tmp/to_scwrl_2146800673.pdb -s /var/tmp/to_scwrl_2146800673.seq -o /var/tmp/from_scwrl_2146800673.pdb > /var/tmp/scwrl_2146800673.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2146800673.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 132 # copying to AlignedFragments data structure # naming current conformation GeneSilicoMetaServer_TS2 # request to SCWRL produces command: ulimit -t 127 ; scwrl -i /var/tmp/to_scwrl_667426662.pdb -s /var/tmp/to_scwrl_667426662.seq -o /var/tmp/from_scwrl_667426662.pdb > /var/tmp/scwrl_667426662.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_667426662.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 ; scwrl -i /var/tmp/to_scwrl_424127438.pdb -s /var/tmp/to_scwrl_424127438.seq -o /var/tmp/from_scwrl_424127438.pdb > /var/tmp/scwrl_424127438.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_424127438.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 134 # copying to AlignedFragments data structure # naming current conformation GeneSilicoMetaServer_TS4 # request to SCWRL produces command: ulimit -t 127 ; scwrl -i /var/tmp/to_scwrl_1425643983.pdb -s /var/tmp/to_scwrl_1425643983.seq -o /var/tmp/from_scwrl_1425643983.pdb > /var/tmp/scwrl_1425643983.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1425643983.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 ; scwrl -i /var/tmp/to_scwrl_1328360638.pdb -s /var/tmp/to_scwrl_1328360638.seq -o /var/tmp/from_scwrl_1328360638.pdb > /var/tmp/scwrl_1328360638.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1328360638.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 103 # copying to AlignedFragments data structure # naming current conformation HHpred1_TS1 # request to SCWRL produces command: ulimit -t 127 ; scwrl -i /var/tmp/to_scwrl_1296865381.pdb -s /var/tmp/to_scwrl_1296865381.seq -o /var/tmp/from_scwrl_1296865381.pdb > /var/tmp/scwrl_1296865381.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1296865381.pdb # conformation set from SCWRL output # naming current conformation HHpred1_TS1-scwrl # ReadConformPDB reading from PDB file servers/HHpred2_TS1.pdb.gz looking for model 1 # Found a chain break before 95 # copying to AlignedFragments data structure # naming current conformation HHpred2_TS1 # request to SCWRL produces command: ulimit -t 127 ; scwrl -i /var/tmp/to_scwrl_955842118.pdb -s /var/tmp/to_scwrl_955842118.seq -o /var/tmp/from_scwrl_955842118.pdb > /var/tmp/scwrl_955842118.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_955842118.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 # Found a chain break before 95 # copying to AlignedFragments data structure # naming current conformation HHpred3_TS1 # request to SCWRL produces command: ulimit -t 127 ; scwrl -i /var/tmp/to_scwrl_1986246076.pdb -s /var/tmp/to_scwrl_1986246076.seq -o /var/tmp/from_scwrl_1986246076.pdb > /var/tmp/scwrl_1986246076.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1986246076.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 ; scwrl -i /var/tmp/to_scwrl_137502528.pdb -s /var/tmp/to_scwrl_137502528.seq -o /var/tmp/from_scwrl_137502528.pdb > /var/tmp/scwrl_137502528.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_137502528.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 ; scwrl -i /var/tmp/to_scwrl_1879706058.pdb -s /var/tmp/to_scwrl_1879706058.seq -o /var/tmp/from_scwrl_1879706058.pdb > /var/tmp/scwrl_1879706058.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1879706058.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 ; scwrl -i /var/tmp/to_scwrl_123384172.pdb -s /var/tmp/to_scwrl_123384172.seq -o /var/tmp/from_scwrl_123384172.pdb > /var/tmp/scwrl_123384172.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_123384172.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 ; scwrl -i /var/tmp/to_scwrl_728573672.pdb -s /var/tmp/to_scwrl_728573672.seq -o /var/tmp/from_scwrl_728573672.pdb > /var/tmp/scwrl_728573672.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_728573672.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 ; scwrl -i /var/tmp/to_scwrl_267157933.pdb -s /var/tmp/to_scwrl_267157933.seq -o /var/tmp/from_scwrl_267157933.pdb > /var/tmp/scwrl_267157933.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_267157933.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 ; scwrl -i /var/tmp/to_scwrl_107696007.pdb -s /var/tmp/to_scwrl_107696007.seq -o /var/tmp/from_scwrl_107696007.pdb > /var/tmp/scwrl_107696007.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_107696007.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 ; scwrl -i /var/tmp/to_scwrl_1747372372.pdb -s /var/tmp/to_scwrl_1747372372.seq -o /var/tmp/from_scwrl_1747372372.pdb > /var/tmp/scwrl_1747372372.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1747372372.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 ; scwrl -i /var/tmp/to_scwrl_1693636161.pdb -s /var/tmp/to_scwrl_1693636161.seq -o /var/tmp/from_scwrl_1693636161.pdb > /var/tmp/scwrl_1693636161.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1693636161.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 ; scwrl -i /var/tmp/to_scwrl_1262688445.pdb -s /var/tmp/to_scwrl_1262688445.seq -o /var/tmp/from_scwrl_1262688445.pdb > /var/tmp/scwrl_1262688445.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1262688445.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 ; scwrl -i /var/tmp/to_scwrl_1399661462.pdb -s /var/tmp/to_scwrl_1399661462.seq -o /var/tmp/from_scwrl_1399661462.pdb > /var/tmp/scwrl_1399661462.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1399661462.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 ; scwrl -i /var/tmp/to_scwrl_526062125.pdb -s /var/tmp/to_scwrl_526062125.seq -o /var/tmp/from_scwrl_526062125.pdb > /var/tmp/scwrl_526062125.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_526062125.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 132 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server2_TS1 # request to SCWRL produces command: ulimit -t 127 ; scwrl -i /var/tmp/to_scwrl_1043545601.pdb -s /var/tmp/to_scwrl_1043545601.seq -o /var/tmp/from_scwrl_1043545601.pdb > /var/tmp/scwrl_1043545601.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1043545601.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 # Found a chain break before 123 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server2_TS2 # request to SCWRL produces command: ulimit -t 127 ; scwrl -i /var/tmp/to_scwrl_992559210.pdb -s /var/tmp/to_scwrl_992559210.seq -o /var/tmp/from_scwrl_992559210.pdb > /var/tmp/scwrl_992559210.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_992559210.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 ; scwrl -i /var/tmp/to_scwrl_890863721.pdb -s /var/tmp/to_scwrl_890863721.seq -o /var/tmp/from_scwrl_890863721.pdb > /var/tmp/scwrl_890863721.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_890863721.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 114 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server2_TS4 # request to SCWRL produces command: ulimit -t 127 ; scwrl -i /var/tmp/to_scwrl_1400683063.pdb -s /var/tmp/to_scwrl_1400683063.seq -o /var/tmp/from_scwrl_1400683063.pdb > /var/tmp/scwrl_1400683063.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1400683063.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 ; scwrl -i /var/tmp/to_scwrl_497668173.pdb -s /var/tmp/to_scwrl_497668173.seq -o /var/tmp/from_scwrl_497668173.pdb > /var/tmp/scwrl_497668173.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_497668173.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 132 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS1 # request to SCWRL produces command: ulimit -t 127 ; scwrl -i /var/tmp/to_scwrl_839557149.pdb -s /var/tmp/to_scwrl_839557149.seq -o /var/tmp/from_scwrl_839557149.pdb > /var/tmp/scwrl_839557149.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_839557149.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 122 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS2 # request to SCWRL produces command: ulimit -t 127 ; scwrl -i /var/tmp/to_scwrl_1337351421.pdb -s /var/tmp/to_scwrl_1337351421.seq -o /var/tmp/from_scwrl_1337351421.pdb > /var/tmp/scwrl_1337351421.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1337351421.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 126 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS3 # request to SCWRL produces command: ulimit -t 127 ; scwrl -i /var/tmp/to_scwrl_45686147.pdb -s /var/tmp/to_scwrl_45686147.seq -o /var/tmp/from_scwrl_45686147.pdb > /var/tmp/scwrl_45686147.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_45686147.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 ; scwrl -i /var/tmp/to_scwrl_1041468820.pdb -s /var/tmp/to_scwrl_1041468820.seq -o /var/tmp/from_scwrl_1041468820.pdb > /var/tmp/scwrl_1041468820.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1041468820.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 ; scwrl -i /var/tmp/to_scwrl_1618836609.pdb -s /var/tmp/to_scwrl_1618836609.seq -o /var/tmp/from_scwrl_1618836609.pdb > /var/tmp/scwrl_1618836609.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1618836609.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 139 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS1 # request to SCWRL produces command: ulimit -t 127 ; scwrl -i /var/tmp/to_scwrl_1832084809.pdb -s /var/tmp/to_scwrl_1832084809.seq -o /var/tmp/from_scwrl_1832084809.pdb > /var/tmp/scwrl_1832084809.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1832084809.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 ; scwrl -i /var/tmp/to_scwrl_1260853140.pdb -s /var/tmp/to_scwrl_1260853140.seq -o /var/tmp/from_scwrl_1260853140.pdb > /var/tmp/scwrl_1260853140.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1260853140.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 ; scwrl -i /var/tmp/to_scwrl_1618153635.pdb -s /var/tmp/to_scwrl_1618153635.seq -o /var/tmp/from_scwrl_1618153635.pdb > /var/tmp/scwrl_1618153635.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1618153635.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 ; scwrl -i /var/tmp/to_scwrl_352027824.pdb -s /var/tmp/to_scwrl_352027824.seq -o /var/tmp/from_scwrl_352027824.pdb > /var/tmp/scwrl_352027824.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_352027824.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 140 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS5 # request to SCWRL produces command: ulimit -t 127 ; scwrl -i /var/tmp/to_scwrl_1684980578.pdb -s /var/tmp/to_scwrl_1684980578.seq -o /var/tmp/from_scwrl_1684980578.pdb > /var/tmp/scwrl_1684980578.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1684980578.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 ; scwrl -i /var/tmp/to_scwrl_896313973.pdb -s /var/tmp/to_scwrl_896313973.seq -o /var/tmp/from_scwrl_896313973.pdb > /var/tmp/scwrl_896313973.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_896313973.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 139 # copying to AlignedFragments data structure # naming current conformation POMYSL_TS1 # request to SCWRL produces command: ulimit -t 127 ; scwrl -i /var/tmp/to_scwrl_1680388462.pdb -s /var/tmp/to_scwrl_1680388462.seq -o /var/tmp/from_scwrl_1680388462.pdb > /var/tmp/scwrl_1680388462.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1680388462.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 123 # copying to AlignedFragments data structure # naming current conformation POMYSL_TS2 # request to SCWRL produces command: ulimit -t 127 ; scwrl -i /var/tmp/to_scwrl_834362313.pdb -s /var/tmp/to_scwrl_834362313.seq -o /var/tmp/from_scwrl_834362313.pdb > /var/tmp/scwrl_834362313.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_834362313.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 ; scwrl -i /var/tmp/to_scwrl_1852156090.pdb -s /var/tmp/to_scwrl_1852156090.seq -o /var/tmp/from_scwrl_1852156090.pdb > /var/tmp/scwrl_1852156090.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1852156090.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 132 # copying to AlignedFragments data structure # naming current conformation POMYSL_TS4 # request to SCWRL produces command: ulimit -t 127 ; scwrl -i /var/tmp/to_scwrl_1519150891.pdb -s /var/tmp/to_scwrl_1519150891.seq -o /var/tmp/from_scwrl_1519150891.pdb > /var/tmp/scwrl_1519150891.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1519150891.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 134 # copying to AlignedFragments data structure # naming current conformation POMYSL_TS5 # request to SCWRL produces command: ulimit -t 127 ; scwrl -i /var/tmp/to_scwrl_971864841.pdb -s /var/tmp/to_scwrl_971864841.seq -o /var/tmp/from_scwrl_971864841.pdb > /var/tmp/scwrl_971864841.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_971864841.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 # Found a chain break before 87 # copying to AlignedFragments data structure # naming current conformation PROTINFO-AB_TS1 # request to SCWRL produces command: ulimit -t 127 ; scwrl -i /var/tmp/to_scwrl_1584378501.pdb -s /var/tmp/to_scwrl_1584378501.seq -o /var/tmp/from_scwrl_1584378501.pdb > /var/tmp/scwrl_1584378501.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1584378501.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 87 # copying to AlignedFragments data structure # naming current conformation PROTINFO-AB_TS2 # request to SCWRL produces command: ulimit -t 127 ; scwrl -i /var/tmp/to_scwrl_1642535063.pdb -s /var/tmp/to_scwrl_1642535063.seq -o /var/tmp/from_scwrl_1642535063.pdb > /var/tmp/scwrl_1642535063.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1642535063.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 87 # copying to AlignedFragments data structure # naming current conformation PROTINFO-AB_TS3 # request to SCWRL produces command: ulimit -t 127 ; scwrl -i /var/tmp/to_scwrl_1700438512.pdb -s /var/tmp/to_scwrl_1700438512.seq -o /var/tmp/from_scwrl_1700438512.pdb > /var/tmp/scwrl_1700438512.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1700438512.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 # Found a chain break before 67 # copying to AlignedFragments data structure # naming current conformation PROTINFO-AB_TS4 # request to SCWRL produces command: ulimit -t 127 ; scwrl -i /var/tmp/to_scwrl_1851536435.pdb -s /var/tmp/to_scwrl_1851536435.seq -o /var/tmp/from_scwrl_1851536435.pdb > /var/tmp/scwrl_1851536435.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1851536435.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 99 # copying to AlignedFragments data structure # naming current conformation PROTINFO-AB_TS5 # request to SCWRL produces command: ulimit -t 127 ; scwrl -i /var/tmp/to_scwrl_1750231070.pdb -s /var/tmp/to_scwrl_1750231070.seq -o /var/tmp/from_scwrl_1750231070.pdb > /var/tmp/scwrl_1750231070.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1750231070.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 # Found a chain break before 67 # copying to AlignedFragments data structure # naming current conformation PROTINFO_TS1 # request to SCWRL produces command: ulimit -t 127 ; scwrl -i /var/tmp/to_scwrl_1300327238.pdb -s /var/tmp/to_scwrl_1300327238.seq -o /var/tmp/from_scwrl_1300327238.pdb > /var/tmp/scwrl_1300327238.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1300327238.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 112 # copying to AlignedFragments data structure # naming current conformation PROTINFO_TS2 # request to SCWRL produces command: ulimit -t 127 ; scwrl -i /var/tmp/to_scwrl_1397688949.pdb -s /var/tmp/to_scwrl_1397688949.seq -o /var/tmp/from_scwrl_1397688949.pdb > /var/tmp/scwrl_1397688949.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1397688949.pdb # conformation set from SCWRL output # naming current conformation PROTINFO_TS2-scwrl # ReadConformPDB reading from PDB file servers/PROTINFO_TS3.pdb.gz looking for model 1 # Found a chain break before 100 # copying to AlignedFragments data structure # naming current conformation PROTINFO_TS3 # request to SCWRL produces command: ulimit -t 127 ; scwrl -i /var/tmp/to_scwrl_865435869.pdb -s /var/tmp/to_scwrl_865435869.seq -o /var/tmp/from_scwrl_865435869.pdb > /var/tmp/scwrl_865435869.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_865435869.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 ; scwrl -i /var/tmp/to_scwrl_552505054.pdb -s /var/tmp/to_scwrl_552505054.seq -o /var/tmp/from_scwrl_552505054.pdb > /var/tmp/scwrl_552505054.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_552505054.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 67 # copying to AlignedFragments data structure # naming current conformation PROTINFO_TS5 # request to SCWRL produces command: ulimit -t 127 ; scwrl -i /var/tmp/to_scwrl_1923751074.pdb -s /var/tmp/to_scwrl_1923751074.seq -o /var/tmp/from_scwrl_1923751074.pdb > /var/tmp/scwrl_1923751074.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1923751074.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 ; scwrl -i /var/tmp/to_scwrl_1908981470.pdb -s /var/tmp/to_scwrl_1908981470.seq -o /var/tmp/from_scwrl_1908981470.pdb > /var/tmp/scwrl_1908981470.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1908981470.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 ; scwrl -i /var/tmp/to_scwrl_1545064263.pdb -s /var/tmp/to_scwrl_1545064263.seq -o /var/tmp/from_scwrl_1545064263.pdb > /var/tmp/scwrl_1545064263.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1545064263.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 ; scwrl -i /var/tmp/to_scwrl_667131148.pdb -s /var/tmp/to_scwrl_667131148.seq -o /var/tmp/from_scwrl_667131148.pdb > /var/tmp/scwrl_667131148.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_667131148.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 ; scwrl -i /var/tmp/to_scwrl_1162180886.pdb -s /var/tmp/to_scwrl_1162180886.seq -o /var/tmp/from_scwrl_1162180886.pdb > /var/tmp/scwrl_1162180886.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1162180886.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 ; scwrl -i /var/tmp/to_scwrl_2042732436.pdb -s /var/tmp/to_scwrl_2042732436.seq -o /var/tmp/from_scwrl_2042732436.pdb > /var/tmp/scwrl_2042732436.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2042732436.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 ; scwrl -i /var/tmp/to_scwrl_1506688297.pdb -s /var/tmp/to_scwrl_1506688297.seq -o /var/tmp/from_scwrl_1506688297.pdb > /var/tmp/scwrl_1506688297.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1506688297.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 ; scwrl -i /var/tmp/to_scwrl_352048661.pdb -s /var/tmp/to_scwrl_352048661.seq -o /var/tmp/from_scwrl_352048661.pdb > /var/tmp/scwrl_352048661.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_352048661.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 ; scwrl -i /var/tmp/to_scwrl_2088418584.pdb -s /var/tmp/to_scwrl_2088418584.seq -o /var/tmp/from_scwrl_2088418584.pdb > /var/tmp/scwrl_2088418584.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2088418584.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 ; scwrl -i /var/tmp/to_scwrl_400673470.pdb -s /var/tmp/to_scwrl_400673470.seq -o /var/tmp/from_scwrl_400673470.pdb > /var/tmp/scwrl_400673470.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_400673470.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 ; scwrl -i /var/tmp/to_scwrl_1970885270.pdb -s /var/tmp/to_scwrl_1970885270.seq -o /var/tmp/from_scwrl_1970885270.pdb > /var/tmp/scwrl_1970885270.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1970885270.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 ; scwrl -i /var/tmp/to_scwrl_1773019746.pdb -s /var/tmp/to_scwrl_1773019746.seq -o /var/tmp/from_scwrl_1773019746.pdb > /var/tmp/scwrl_1773019746.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1773019746.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 ; scwrl -i /var/tmp/to_scwrl_1661526610.pdb -s /var/tmp/to_scwrl_1661526610.seq -o /var/tmp/from_scwrl_1661526610.pdb > /var/tmp/scwrl_1661526610.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1661526610.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 138 # copying to AlignedFragments data structure # naming current conformation Pmodeller6_TS2 # request to SCWRL produces command: ulimit -t 127 ; scwrl -i /var/tmp/to_scwrl_1441555259.pdb -s /var/tmp/to_scwrl_1441555259.seq -o /var/tmp/from_scwrl_1441555259.pdb > /var/tmp/scwrl_1441555259.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1441555259.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 ; scwrl -i /var/tmp/to_scwrl_2125047570.pdb -s /var/tmp/to_scwrl_2125047570.seq -o /var/tmp/from_scwrl_2125047570.pdb > /var/tmp/scwrl_2125047570.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2125047570.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 ; scwrl -i /var/tmp/to_scwrl_1199023542.pdb -s /var/tmp/to_scwrl_1199023542.seq -o /var/tmp/from_scwrl_1199023542.pdb > /var/tmp/scwrl_1199023542.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1199023542.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 ; scwrl -i /var/tmp/to_scwrl_190385585.pdb -s /var/tmp/to_scwrl_190385585.seq -o /var/tmp/from_scwrl_190385585.pdb > /var/tmp/scwrl_190385585.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_190385585.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 132 # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS1 # request to SCWRL produces command: ulimit -t 127 ; scwrl -i /var/tmp/to_scwrl_1657952385.pdb -s /var/tmp/to_scwrl_1657952385.seq -o /var/tmp/from_scwrl_1657952385.pdb > /var/tmp/scwrl_1657952385.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1657952385.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 ; scwrl -i /var/tmp/to_scwrl_2033385855.pdb -s /var/tmp/to_scwrl_2033385855.seq -o /var/tmp/from_scwrl_2033385855.pdb > /var/tmp/scwrl_2033385855.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2033385855.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 # Found a chain break before 129 # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS3 # request to SCWRL produces command: ulimit -t 127 ; scwrl -i /var/tmp/to_scwrl_2042541675.pdb -s /var/tmp/to_scwrl_2042541675.seq -o /var/tmp/from_scwrl_2042541675.pdb > /var/tmp/scwrl_2042541675.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2042541675.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 ; scwrl -i /var/tmp/to_scwrl_1029619630.pdb -s /var/tmp/to_scwrl_1029619630.seq -o /var/tmp/from_scwrl_1029619630.pdb > /var/tmp/scwrl_1029619630.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1029619630.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 132 # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS5 # request to SCWRL produces command: ulimit -t 127 ; scwrl -i /var/tmp/to_scwrl_857767050.pdb -s /var/tmp/to_scwrl_857767050.seq -o /var/tmp/from_scwrl_857767050.pdb > /var/tmp/scwrl_857767050.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_857767050.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 ; scwrl -i /var/tmp/to_scwrl_1479436530.pdb -s /var/tmp/to_scwrl_1479436530.seq -o /var/tmp/from_scwrl_1479436530.pdb > /var/tmp/scwrl_1479436530.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1479436530.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 ; scwrl -i /var/tmp/to_scwrl_524671046.pdb -s /var/tmp/to_scwrl_524671046.seq -o /var/tmp/from_scwrl_524671046.pdb > /var/tmp/scwrl_524671046.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_524671046.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 ; scwrl -i /var/tmp/to_scwrl_410721915.pdb -s /var/tmp/to_scwrl_410721915.seq -o /var/tmp/from_scwrl_410721915.pdb > /var/tmp/scwrl_410721915.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_410721915.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 140 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS4 # request to SCWRL produces command: ulimit -t 127 ; scwrl -i /var/tmp/to_scwrl_1183489318.pdb -s /var/tmp/to_scwrl_1183489318.seq -o /var/tmp/from_scwrl_1183489318.pdb > /var/tmp/scwrl_1183489318.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1183489318.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 131 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS5 # request to SCWRL produces command: ulimit -t 127 ; scwrl -i /var/tmp/to_scwrl_127418469.pdb -s /var/tmp/to_scwrl_127418469.seq -o /var/tmp/from_scwrl_127418469.pdb > /var/tmp/scwrl_127418469.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_127418469.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 135 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS1 # request to SCWRL produces command: ulimit -t 127 ; scwrl -i /var/tmp/to_scwrl_1711049153.pdb -s /var/tmp/to_scwrl_1711049153.seq -o /var/tmp/from_scwrl_1711049153.pdb > /var/tmp/scwrl_1711049153.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1711049153.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 ; scwrl -i /var/tmp/to_scwrl_433694621.pdb -s /var/tmp/to_scwrl_433694621.seq -o /var/tmp/from_scwrl_433694621.pdb > /var/tmp/scwrl_433694621.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_433694621.pdb # conformation set from SCWRL output # naming current conformation RAPTOR_TS2-scwrl # ReadConformPDB reading from PDB file servers/RAPTOR_TS3.pdb.gz looking for model 1 # Found a chain break before 99 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS3 # request to SCWRL produces command: ulimit -t 127 ; scwrl -i /var/tmp/to_scwrl_992854338.pdb -s /var/tmp/to_scwrl_992854338.seq -o /var/tmp/from_scwrl_992854338.pdb > /var/tmp/scwrl_992854338.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_992854338.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 131 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS4 # request to SCWRL produces command: ulimit -t 127 ; scwrl -i /var/tmp/to_scwrl_116070560.pdb -s /var/tmp/to_scwrl_116070560.seq -o /var/tmp/from_scwrl_116070560.pdb > /var/tmp/scwrl_116070560.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_116070560.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 ; scwrl -i /var/tmp/to_scwrl_209962048.pdb -s /var/tmp/to_scwrl_209962048.seq -o /var/tmp/from_scwrl_209962048.pdb > /var/tmp/scwrl_209962048.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_209962048.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 124 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS1 # request to SCWRL produces command: ulimit -t 127 ; scwrl -i /var/tmp/to_scwrl_754352161.pdb -s /var/tmp/to_scwrl_754352161.seq -o /var/tmp/from_scwrl_754352161.pdb > /var/tmp/scwrl_754352161.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_754352161.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 ; scwrl -i /var/tmp/to_scwrl_1661134823.pdb -s /var/tmp/to_scwrl_1661134823.seq -o /var/tmp/from_scwrl_1661134823.pdb > /var/tmp/scwrl_1661134823.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1661134823.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 138 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS3 # request to SCWRL produces command: ulimit -t 127 ; scwrl -i /var/tmp/to_scwrl_877093197.pdb -s /var/tmp/to_scwrl_877093197.seq -o /var/tmp/from_scwrl_877093197.pdb > /var/tmp/scwrl_877093197.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_877093197.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 ; scwrl -i /var/tmp/to_scwrl_1916533048.pdb -s /var/tmp/to_scwrl_1916533048.seq -o /var/tmp/from_scwrl_1916533048.pdb > /var/tmp/scwrl_1916533048.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1916533048.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 ; scwrl -i /var/tmp/to_scwrl_1556383613.pdb -s /var/tmp/to_scwrl_1556383613.seq -o /var/tmp/from_scwrl_1556383613.pdb > /var/tmp/scwrl_1556383613.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1556383613.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 130 # copying to AlignedFragments data structure # naming current conformation ROKKY_TS1 # request to SCWRL produces command: ulimit -t 127 ; scwrl -i /var/tmp/to_scwrl_236297847.pdb -s /var/tmp/to_scwrl_236297847.seq -o /var/tmp/from_scwrl_236297847.pdb > /var/tmp/scwrl_236297847.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_236297847.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 131 # copying to AlignedFragments data structure # naming current conformation ROKKY_TS2 # request to SCWRL produces command: ulimit -t 127 ; scwrl -i /var/tmp/to_scwrl_121098062.pdb -s /var/tmp/to_scwrl_121098062.seq -o /var/tmp/from_scwrl_121098062.pdb > /var/tmp/scwrl_121098062.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_121098062.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 ; scwrl -i /var/tmp/to_scwrl_1497318550.pdb -s /var/tmp/to_scwrl_1497318550.seq -o /var/tmp/from_scwrl_1497318550.pdb > /var/tmp/scwrl_1497318550.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1497318550.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 124 # copying to AlignedFragments data structure # naming current conformation ROKKY_TS4 # request to SCWRL produces command: ulimit -t 127 ; scwrl -i /var/tmp/to_scwrl_636971317.pdb -s /var/tmp/to_scwrl_636971317.seq -o /var/tmp/from_scwrl_636971317.pdb > /var/tmp/scwrl_636971317.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_636971317.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 110 # copying to AlignedFragments data structure # naming current conformation ROKKY_TS5 # request to SCWRL produces command: ulimit -t 127 ; scwrl -i /var/tmp/to_scwrl_2091983333.pdb -s /var/tmp/to_scwrl_2091983333.seq -o /var/tmp/from_scwrl_2091983333.pdb > /var/tmp/scwrl_2091983333.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2091983333.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 ; scwrl -i /var/tmp/to_scwrl_1122854649.pdb -s /var/tmp/to_scwrl_1122854649.seq -o /var/tmp/from_scwrl_1122854649.pdb > /var/tmp/scwrl_1122854649.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1122854649.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 ; scwrl -i /var/tmp/to_scwrl_151014280.pdb -s /var/tmp/to_scwrl_151014280.seq -o /var/tmp/from_scwrl_151014280.pdb > /var/tmp/scwrl_151014280.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_151014280.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 ; scwrl -i /var/tmp/to_scwrl_1386054945.pdb -s /var/tmp/to_scwrl_1386054945.seq -o /var/tmp/from_scwrl_1386054945.pdb > /var/tmp/scwrl_1386054945.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1386054945.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 ; scwrl -i /var/tmp/to_scwrl_1100418572.pdb -s /var/tmp/to_scwrl_1100418572.seq -o /var/tmp/from_scwrl_1100418572.pdb > /var/tmp/scwrl_1100418572.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1100418572.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 ; scwrl -i /var/tmp/to_scwrl_1350037822.pdb -s /var/tmp/to_scwrl_1350037822.seq -o /var/tmp/from_scwrl_1350037822.pdb > /var/tmp/scwrl_1350037822.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1350037822.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 ; scwrl -i /var/tmp/to_scwrl_1576440530.pdb -s /var/tmp/to_scwrl_1576440530.seq -o /var/tmp/from_scwrl_1576440530.pdb > /var/tmp/scwrl_1576440530.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1576440530.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 ; scwrl -i /var/tmp/to_scwrl_610887311.pdb -s /var/tmp/to_scwrl_610887311.seq -o /var/tmp/from_scwrl_610887311.pdb > /var/tmp/scwrl_610887311.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_610887311.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 ; scwrl -i /var/tmp/to_scwrl_1235940031.pdb -s /var/tmp/to_scwrl_1235940031.seq -o /var/tmp/from_scwrl_1235940031.pdb > /var/tmp/scwrl_1235940031.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1235940031.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 ; scwrl -i /var/tmp/to_scwrl_1471498558.pdb -s /var/tmp/to_scwrl_1471498558.seq -o /var/tmp/from_scwrl_1471498558.pdb > /var/tmp/scwrl_1471498558.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1471498558.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 ; scwrl -i /var/tmp/to_scwrl_1640506940.pdb -s /var/tmp/to_scwrl_1640506940.seq -o /var/tmp/from_scwrl_1640506940.pdb > /var/tmp/scwrl_1640506940.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1640506940.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 ; scwrl -i /var/tmp/to_scwrl_2093707081.pdb -s /var/tmp/to_scwrl_2093707081.seq -o /var/tmp/from_scwrl_2093707081.pdb > /var/tmp/scwrl_2093707081.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2093707081.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 ; scwrl -i /var/tmp/to_scwrl_803451442.pdb -s /var/tmp/to_scwrl_803451442.seq -o /var/tmp/from_scwrl_803451442.pdb > /var/tmp/scwrl_803451442.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_803451442.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 ; scwrl -i /var/tmp/to_scwrl_17694339.pdb -s /var/tmp/to_scwrl_17694339.seq -o /var/tmp/from_scwrl_17694339.pdb > /var/tmp/scwrl_17694339.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_17694339.pdb # conformation set from SCWRL output # naming current conformation SAM_T06_server_TS5-scwrl # ReadConformPDB reading from PDB file servers/SP3_TS1.pdb.gz looking for model 1 # Found a chain break before 129 # copying to AlignedFragments data structure # naming current conformation SP3_TS1 # request to SCWRL produces command: ulimit -t 127 ; scwrl -i /var/tmp/to_scwrl_356945349.pdb -s /var/tmp/to_scwrl_356945349.seq -o /var/tmp/from_scwrl_356945349.pdb > /var/tmp/scwrl_356945349.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_356945349.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 132 # copying to AlignedFragments data structure # naming current conformation SP3_TS2 # request to SCWRL produces command: ulimit -t 127 ; scwrl -i /var/tmp/to_scwrl_1986940760.pdb -s /var/tmp/to_scwrl_1986940760.seq -o /var/tmp/from_scwrl_1986940760.pdb > /var/tmp/scwrl_1986940760.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1986940760.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 136 # copying to AlignedFragments data structure # naming current conformation SP3_TS3 # request to SCWRL produces command: ulimit -t 127 ; scwrl -i /var/tmp/to_scwrl_145112808.pdb -s /var/tmp/to_scwrl_145112808.seq -o /var/tmp/from_scwrl_145112808.pdb > /var/tmp/scwrl_145112808.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_145112808.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 128 # copying to AlignedFragments data structure # naming current conformation SP3_TS4 # request to SCWRL produces command: ulimit -t 127 ; scwrl -i /var/tmp/to_scwrl_2067994503.pdb -s /var/tmp/to_scwrl_2067994503.seq -o /var/tmp/from_scwrl_2067994503.pdb > /var/tmp/scwrl_2067994503.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2067994503.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 ; scwrl -i /var/tmp/to_scwrl_273151734.pdb -s /var/tmp/to_scwrl_273151734.seq -o /var/tmp/from_scwrl_273151734.pdb > /var/tmp/scwrl_273151734.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_273151734.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 ; scwrl -i /var/tmp/to_scwrl_1137967145.pdb -s /var/tmp/to_scwrl_1137967145.seq -o /var/tmp/from_scwrl_1137967145.pdb > /var/tmp/scwrl_1137967145.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1137967145.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 129 # copying to AlignedFragments data structure # naming current conformation SP4_TS2 # request to SCWRL produces command: ulimit -t 127 ; scwrl -i /var/tmp/to_scwrl_36581416.pdb -s /var/tmp/to_scwrl_36581416.seq -o /var/tmp/from_scwrl_36581416.pdb > /var/tmp/scwrl_36581416.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_36581416.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 # Found a chain break before 96 # copying to AlignedFragments data structure # naming current conformation SP4_TS3 # request to SCWRL produces command: ulimit -t 127 ; scwrl -i /var/tmp/to_scwrl_483113783.pdb -s /var/tmp/to_scwrl_483113783.seq -o /var/tmp/from_scwrl_483113783.pdb > /var/tmp/scwrl_483113783.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_483113783.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 # Found a chain break before 131 # copying to AlignedFragments data structure # naming current conformation SP4_TS4 # request to SCWRL produces command: ulimit -t 127 ; scwrl -i /var/tmp/to_scwrl_1892319307.pdb -s /var/tmp/to_scwrl_1892319307.seq -o /var/tmp/from_scwrl_1892319307.pdb > /var/tmp/scwrl_1892319307.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1892319307.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 113 # copying to AlignedFragments data structure # naming current conformation SP4_TS5 # request to SCWRL produces command: ulimit -t 127 ; scwrl -i /var/tmp/to_scwrl_1697716240.pdb -s /var/tmp/to_scwrl_1697716240.seq -o /var/tmp/from_scwrl_1697716240.pdb > /var/tmp/scwrl_1697716240.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1697716240.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 129 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS1 # request to SCWRL produces command: ulimit -t 127 ; scwrl -i /var/tmp/to_scwrl_1360206979.pdb -s /var/tmp/to_scwrl_1360206979.seq -o /var/tmp/from_scwrl_1360206979.pdb > /var/tmp/scwrl_1360206979.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1360206979.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 ; scwrl -i /var/tmp/to_scwrl_1661368708.pdb -s /var/tmp/to_scwrl_1661368708.seq -o /var/tmp/from_scwrl_1661368708.pdb > /var/tmp/scwrl_1661368708.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1661368708.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 118 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS3 # request to SCWRL produces command: ulimit -t 127 ; scwrl -i /var/tmp/to_scwrl_1106616206.pdb -s /var/tmp/to_scwrl_1106616206.seq -o /var/tmp/from_scwrl_1106616206.pdb > /var/tmp/scwrl_1106616206.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1106616206.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 124 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS4 # request to SCWRL produces command: ulimit -t 127 ; scwrl -i /var/tmp/to_scwrl_1596504826.pdb -s /var/tmp/to_scwrl_1596504826.seq -o /var/tmp/from_scwrl_1596504826.pdb > /var/tmp/scwrl_1596504826.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1596504826.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 # Found a chain break before 90 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS5 # request to SCWRL produces command: ulimit -t 127 ; scwrl -i /var/tmp/to_scwrl_1782466770.pdb -s /var/tmp/to_scwrl_1782466770.seq -o /var/tmp/from_scwrl_1782466770.pdb > /var/tmp/scwrl_1782466770.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1782466770.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 ; scwrl -i /var/tmp/to_scwrl_456451110.pdb -s /var/tmp/to_scwrl_456451110.seq -o /var/tmp/from_scwrl_456451110.pdb > /var/tmp/scwrl_456451110.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_456451110.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 ; scwrl -i /var/tmp/to_scwrl_85992496.pdb -s /var/tmp/to_scwrl_85992496.seq -o /var/tmp/from_scwrl_85992496.pdb > /var/tmp/scwrl_85992496.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_85992496.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 ; scwrl -i /var/tmp/to_scwrl_1726966456.pdb -s /var/tmp/to_scwrl_1726966456.seq -o /var/tmp/from_scwrl_1726966456.pdb > /var/tmp/scwrl_1726966456.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1726966456.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 ; scwrl -i /var/tmp/to_scwrl_1579305759.pdb -s /var/tmp/to_scwrl_1579305759.seq -o /var/tmp/from_scwrl_1579305759.pdb > /var/tmp/scwrl_1579305759.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1579305759.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 ; scwrl -i /var/tmp/to_scwrl_237006776.pdb -s /var/tmp/to_scwrl_237006776.seq -o /var/tmp/from_scwrl_237006776.pdb > /var/tmp/scwrl_237006776.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_237006776.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 ; scwrl -i /var/tmp/to_scwrl_965537755.pdb -s /var/tmp/to_scwrl_965537755.seq -o /var/tmp/from_scwrl_965537755.pdb > /var/tmp/scwrl_965537755.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_965537755.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 ; scwrl -i /var/tmp/to_scwrl_532240685.pdb -s /var/tmp/to_scwrl_532240685.seq -o /var/tmp/from_scwrl_532240685.pdb > /var/tmp/scwrl_532240685.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_532240685.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 ; scwrl -i /var/tmp/to_scwrl_1587044599.pdb -s /var/tmp/to_scwrl_1587044599.seq -o /var/tmp/from_scwrl_1587044599.pdb > /var/tmp/scwrl_1587044599.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1587044599.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 ; scwrl -i /var/tmp/to_scwrl_394494638.pdb -s /var/tmp/to_scwrl_394494638.seq -o /var/tmp/from_scwrl_394494638.pdb > /var/tmp/scwrl_394494638.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_394494638.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 135 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS1 # request to SCWRL produces command: ulimit -t 127 ; scwrl -i /var/tmp/to_scwrl_1143127995.pdb -s /var/tmp/to_scwrl_1143127995.seq -o /var/tmp/from_scwrl_1143127995.pdb > /var/tmp/scwrl_1143127995.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1143127995.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 ; scwrl -i /var/tmp/to_scwrl_675500984.pdb -s /var/tmp/to_scwrl_675500984.seq -o /var/tmp/from_scwrl_675500984.pdb > /var/tmp/scwrl_675500984.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_675500984.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 ; scwrl -i /var/tmp/to_scwrl_1865993197.pdb -s /var/tmp/to_scwrl_1865993197.seq -o /var/tmp/from_scwrl_1865993197.pdb > /var/tmp/scwrl_1865993197.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1865993197.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 133 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS4 # request to SCWRL produces command: ulimit -t 127 ; scwrl -i /var/tmp/to_scwrl_636151289.pdb -s /var/tmp/to_scwrl_636151289.seq -o /var/tmp/from_scwrl_636151289.pdb > /var/tmp/scwrl_636151289.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_636151289.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 130 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS5 # request to SCWRL produces command: ulimit -t 127 ; scwrl -i /var/tmp/to_scwrl_621724418.pdb -s /var/tmp/to_scwrl_621724418.seq -o /var/tmp/from_scwrl_621724418.pdb > /var/tmp/scwrl_621724418.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_621724418.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 ; scwrl -i /var/tmp/to_scwrl_521960992.pdb -s /var/tmp/to_scwrl_521960992.seq -o /var/tmp/from_scwrl_521960992.pdb > /var/tmp/scwrl_521960992.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_521960992.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 ; scwrl -i /var/tmp/to_scwrl_653845628.pdb -s /var/tmp/to_scwrl_653845628.seq -o /var/tmp/from_scwrl_653845628.pdb > /var/tmp/scwrl_653845628.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_653845628.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 ; scwrl -i /var/tmp/to_scwrl_978669767.pdb -s /var/tmp/to_scwrl_978669767.seq -o /var/tmp/from_scwrl_978669767.pdb > /var/tmp/scwrl_978669767.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_978669767.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 ; scwrl -i /var/tmp/to_scwrl_361418106.pdb -s /var/tmp/to_scwrl_361418106.seq -o /var/tmp/from_scwrl_361418106.pdb > /var/tmp/scwrl_361418106.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_361418106.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 ; scwrl -i /var/tmp/to_scwrl_798958436.pdb -s /var/tmp/to_scwrl_798958436.seq -o /var/tmp/from_scwrl_798958436.pdb > /var/tmp/scwrl_798958436.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_798958436.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 ; scwrl -i /var/tmp/to_scwrl_899180623.pdb -s /var/tmp/to_scwrl_899180623.seq -o /var/tmp/from_scwrl_899180623.pdb > /var/tmp/scwrl_899180623.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_899180623.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 ; scwrl -i /var/tmp/to_scwrl_634569840.pdb -s /var/tmp/to_scwrl_634569840.seq -o /var/tmp/from_scwrl_634569840.pdb > /var/tmp/scwrl_634569840.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_634569840.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 ; scwrl -i /var/tmp/to_scwrl_1936925581.pdb -s /var/tmp/to_scwrl_1936925581.seq -o /var/tmp/from_scwrl_1936925581.pdb > /var/tmp/scwrl_1936925581.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1936925581.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 55 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS2 # request to SCWRL produces command: ulimit -t 127 ; scwrl -i /var/tmp/to_scwrl_935762040.pdb -s /var/tmp/to_scwrl_935762040.seq -o /var/tmp/from_scwrl_935762040.pdb > /var/tmp/scwrl_935762040.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_935762040.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 110 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS3 # request to SCWRL produces command: ulimit -t 127 ; scwrl -i /var/tmp/to_scwrl_1117683622.pdb -s /var/tmp/to_scwrl_1117683622.seq -o /var/tmp/from_scwrl_1117683622.pdb > /var/tmp/scwrl_1117683622.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1117683622.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 135 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS4 # request to SCWRL produces command: ulimit -t 127 ; scwrl -i /var/tmp/to_scwrl_1681761241.pdb -s /var/tmp/to_scwrl_1681761241.seq -o /var/tmp/from_scwrl_1681761241.pdb > /var/tmp/scwrl_1681761241.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1681761241.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 59 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS5 # request to SCWRL produces command: ulimit -t 127 ; scwrl -i /var/tmp/to_scwrl_485994633.pdb -s /var/tmp/to_scwrl_485994633.seq -o /var/tmp/from_scwrl_485994633.pdb > /var/tmp/scwrl_485994633.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_485994633.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: 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 ; scwrl -i /var/tmp/to_scwrl_330406955.pdb -s /var/tmp/to_scwrl_330406955.seq -o /var/tmp/from_scwrl_330406955.pdb > /var/tmp/scwrl_330406955.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_330406955.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: 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 ; scwrl -i /var/tmp/to_scwrl_1195646302.pdb -s /var/tmp/to_scwrl_1195646302.seq -o /var/tmp/from_scwrl_1195646302.pdb > /var/tmp/scwrl_1195646302.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1195646302.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: 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 ; scwrl -i /var/tmp/to_scwrl_1592610839.pdb -s /var/tmp/to_scwrl_1592610839.seq -o /var/tmp/from_scwrl_1592610839.pdb > /var/tmp/scwrl_1592610839.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1592610839.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: 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 ; scwrl -i /var/tmp/to_scwrl_1926911781.pdb -s /var/tmp/to_scwrl_1926911781.seq -o /var/tmp/from_scwrl_1926911781.pdb > /var/tmp/scwrl_1926911781.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1926911781.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 ; scwrl -i /var/tmp/to_scwrl_830629427.pdb -s /var/tmp/to_scwrl_830629427.seq -o /var/tmp/from_scwrl_830629427.pdb > /var/tmp/scwrl_830629427.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_830629427.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 ; scwrl -i /var/tmp/to_scwrl_2049061949.pdb -s /var/tmp/to_scwrl_2049061949.seq -o /var/tmp/from_scwrl_2049061949.pdb > /var/tmp/scwrl_2049061949.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2049061949.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 ; scwrl -i /var/tmp/to_scwrl_2012904277.pdb -s /var/tmp/to_scwrl_2012904277.seq -o /var/tmp/from_scwrl_2012904277.pdb > /var/tmp/scwrl_2012904277.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2012904277.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 ; scwrl -i /var/tmp/to_scwrl_410112236.pdb -s /var/tmp/to_scwrl_410112236.seq -o /var/tmp/from_scwrl_410112236.pdb > /var/tmp/scwrl_410112236.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_410112236.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 ; scwrl -i /var/tmp/to_scwrl_1480884061.pdb -s /var/tmp/to_scwrl_1480884061.seq -o /var/tmp/from_scwrl_1480884061.pdb > /var/tmp/scwrl_1480884061.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1480884061.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 ; scwrl -i /var/tmp/to_scwrl_102427407.pdb -s /var/tmp/to_scwrl_102427407.seq -o /var/tmp/from_scwrl_102427407.pdb > /var/tmp/scwrl_102427407.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_102427407.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 ; scwrl -i /var/tmp/to_scwrl_1375649991.pdb -s /var/tmp/to_scwrl_1375649991.seq -o /var/tmp/from_scwrl_1375649991.pdb > /var/tmp/scwrl_1375649991.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1375649991.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 93 # copying to AlignedFragments data structure # naming current conformation keasar-server_TS2 # request to SCWRL produces command: ulimit -t 127 ; scwrl -i /var/tmp/to_scwrl_2013124746.pdb -s /var/tmp/to_scwrl_2013124746.seq -o /var/tmp/from_scwrl_2013124746.pdb > /var/tmp/scwrl_2013124746.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2013124746.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 ; scwrl -i /var/tmp/to_scwrl_1689472006.pdb -s /var/tmp/to_scwrl_1689472006.seq -o /var/tmp/from_scwrl_1689472006.pdb > /var/tmp/scwrl_1689472006.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1689472006.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 ; scwrl -i /var/tmp/to_scwrl_1770144629.pdb -s /var/tmp/to_scwrl_1770144629.seq -o /var/tmp/from_scwrl_1770144629.pdb > /var/tmp/scwrl_1770144629.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1770144629.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 ; scwrl -i /var/tmp/to_scwrl_1008769095.pdb -s /var/tmp/to_scwrl_1008769095.seq -o /var/tmp/from_scwrl_1008769095.pdb > /var/tmp/scwrl_1008769095.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1008769095.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 ; scwrl -i /var/tmp/to_scwrl_217489343.pdb -s /var/tmp/to_scwrl_217489343.seq -o /var/tmp/from_scwrl_217489343.pdb > /var/tmp/scwrl_217489343.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_217489343.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 ; scwrl -i /var/tmp/to_scwrl_1488654179.pdb -s /var/tmp/to_scwrl_1488654179.seq -o /var/tmp/from_scwrl_1488654179.pdb > /var/tmp/scwrl_1488654179.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1488654179.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 ; scwrl -i /var/tmp/to_scwrl_1644920383.pdb -s /var/tmp/to_scwrl_1644920383.seq -o /var/tmp/from_scwrl_1644920383.pdb > /var/tmp/scwrl_1644920383.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1644920383.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 ; scwrl -i /var/tmp/to_scwrl_839213761.pdb -s /var/tmp/to_scwrl_839213761.seq -o /var/tmp/from_scwrl_839213761.pdb > /var/tmp/scwrl_839213761.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_839213761.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 ; scwrl -i /var/tmp/to_scwrl_2010615172.pdb -s /var/tmp/to_scwrl_2010615172.seq -o /var/tmp/from_scwrl_2010615172.pdb > /var/tmp/scwrl_2010615172.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2010615172.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 ; scwrl -i /var/tmp/to_scwrl_151282364.pdb -s /var/tmp/to_scwrl_151282364.seq -o /var/tmp/from_scwrl_151282364.pdb > /var/tmp/scwrl_151282364.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_151282364.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: incomplete conformation T0357 can't currently be optimized by undertaker # naming current conformation panther2_TS1 # request to SCWRL produces command: ulimit -t 127 ; scwrl -i /var/tmp/to_scwrl_1817883527.pdb -s /var/tmp/to_scwrl_1817883527.seq -o /var/tmp/from_scwrl_1817883527.pdb > /var/tmp/scwrl_1817883527.log Error: can't open any of /var/tmp/from_scwrl_1817883527.pdb or /var/tmp/from_scwrl_1817883527_b.pdb or /var/tmp/from_scwrl_1817883527_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 ; scwrl -i /var/tmp/to_scwrl_224549631.pdb -s /var/tmp/to_scwrl_224549631.seq -o /var/tmp/from_scwrl_224549631.pdb > /var/tmp/scwrl_224549631.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_224549631.pdb # conformation set from SCWRL output # naming current conformation shub_TS1-scwrl # command:CPU_time= 36.035 sec, elapsed time= 519.069 sec) # command:# Prefix for output files set to decoys/ # command:# Will now start reporting costs to decoys/evaluate.predburial.rdb # command:# CostConform shub_TS1-scwrl costs 591.895 real_cost = 158.573 shub_TS1 costs 547.666 real_cost = 164.872 panther2_TS1-scwrl costs 1076.853 real_cost = 245.020 nFOLD_TS5-scwrl costs 471.478 real_cost = 289.083 nFOLD_TS5 costs 15976.857 real_cost = 347.024 nFOLD_TS4-scwrl costs 656.798 real_cost = 311.442 nFOLD_TS4 costs 9125.634 real_cost = 385.954 nFOLD_TS3-scwrl costs 648.376 real_cost = 322.055 nFOLD_TS3 costs 30095.923 real_cost = 372.831 nFOLD_TS2-scwrl costs 497.621 real_cost = 282.605 nFOLD_TS2 costs 11952.295 real_cost = 345.973 nFOLD_TS1-scwrl costs 534.875 real_cost = 347.926 nFOLD_TS1 costs 17582.736 real_cost = 422.033 mGen-3D_TS1-scwrl costs 612.972 real_cost = 289.826 mGen-3D_TS1 costs 22101.467 real_cost = 344.437 keasar-server_TS5-scwrl costs 475.203 real_cost = 140.142 keasar-server_TS5 costs 480.584 real_cost = 146.909 keasar-server_TS4-scwrl costs 402.989 real_cost = 141.201 keasar-server_TS4 costs 404.592 real_cost = 143.840 keasar-server_TS3-scwrl costs 465.349 real_cost = 186.508 keasar-server_TS3 costs 468.728 real_cost = 189.005 keasar-server_TS2-scwrl costs 436.170 real_cost = 232.719 keasar-server_TS2 costs 439.403 real_cost = 234.767 keasar-server_TS1-scwrl costs 417.719 real_cost = 168.786 keasar-server_TS1 costs 419.749 real_cost = 169.757 karypis.srv_TS5-scwrl costs 577.805 real_cost = 258.142 karypis.srv_TS5 costs 566.950 real_cost = 255.301 karypis.srv_TS4-scwrl costs 556.932 real_cost = 177.800 karypis.srv_TS4 costs 535.902 real_cost = 172.477 karypis.srv_TS3-scwrl costs 549.353 real_cost = 226.750 karypis.srv_TS3 costs 548.880 real_cost = 226.747 karypis.srv_TS2-scwrl costs 550.734 real_cost = 244.341 karypis.srv_TS2 costs 537.462 real_cost = 241.521 karypis.srv_TS1-scwrl costs 546.793 real_cost = 169.496 karypis.srv_TS1 costs 534.890 real_cost = 166.506 karypis.srv.4_TS5-scwrl costs 584.892 real_cost = 329.601 karypis.srv.4_TS5 costs 584.892 real_cost = 329.601 karypis.srv.4_TS4-scwrl costs 605.568 real_cost = 333.800 karypis.srv.4_TS4 costs 604.936 real_cost = 333.780 karypis.srv.4_TS3-scwrl costs 595.320 real_cost = 344.565 karypis.srv.4_TS3 costs 594.782 real_cost = 345.300 karypis.srv.4_TS2-scwrl costs 599.074 real_cost = 337.192 karypis.srv.4_TS2 costs 600.447 real_cost = 337.182 karypis.srv.4_TS1-scwrl costs 568.832 real_cost = 348.671 karypis.srv.4_TS1 costs 571.384 real_cost = 348.629 karypis.srv.2_TS5-scwrl costs 484.442 real_cost = 285.708 karypis.srv.2_TS5 costs 484.796 real_cost = 285.704 karypis.srv.2_TS4-scwrl costs 465.669 real_cost = 274.861 karypis.srv.2_TS4 costs 465.669 real_cost = 274.861 karypis.srv.2_TS3-scwrl costs 481.240 real_cost = 209.909 karypis.srv.2_TS3 costs 480.884 real_cost = 209.919 karypis.srv.2_TS2-scwrl costs 454.129 real_cost = 199.108 karypis.srv.2_TS2 costs 454.129 real_cost = 199.108 karypis.srv.2_TS1-scwrl costs 425.131 real_cost = 123.682 karypis.srv.2_TS1 costs 425.131 real_cost = 123.682 forecast-s_AL5-scwrl costs 903.725 real_cost = 431.347 forecast-s_AL5 costs 141511.200 real_cost = 485.202 forecast-s_AL4-scwrl costs 1070.285 real_cost = 487.936 forecast-s_AL4 costs 94749.105 real_cost = 520.654 forecast-s_AL3-scwrl costs 884.079 real_cost = 422.346 forecast-s_AL3 costs 7732.573 real_cost = 462.228 forecast-s_AL2-scwrl costs 1030.909 real_cost = 432.913 forecast-s_AL2 costs 193042.651 real_cost = 470.127 forecast-s_AL1-scwrl costs 717.896 real_cost = 173.554 forecast-s_AL1 costs 35693.258 real_cost = 237.949 beautshotbase_TS1-scwrl costs 786.354 real_cost = 244.741 beautshotbase_TS1 costs 761.147 real_cost = 244.509 beautshot_TS1-scwrl costs 519.162 real_cost = 86.323 beautshot_TS1 costs 509.393 real_cost = 81.184 Zhang-Server_TS5-scwrl costs 434.314 real_cost = 1.110 Zhang-Server_TS5 costs 433.590 real_cost = 0.816 Zhang-Server_TS4-scwrl costs 501.366 real_cost = 66.237 Zhang-Server_TS4 costs 501.366 real_cost = 66.237 Zhang-Server_TS3-scwrl costs 439.780 real_cost = 8.831 Zhang-Server_TS3 costs 439.818 real_cost = 8.899 Zhang-Server_TS2-scwrl costs 470.816 real_cost = 12.243 Zhang-Server_TS2 costs 470.816 real_cost = 12.243 Zhang-Server_TS1-scwrl costs 457.862 real_cost = -16.759 Zhang-Server_TS1 costs 457.862 real_cost = -16.759 UNI-EID_sfst_AL3-scwrl costs 778.215 real_cost = 258.818 UNI-EID_sfst_AL3 costs 37025.396 real_cost = 303.544 UNI-EID_sfst_AL2-scwrl costs 843.020 real_cost = 266.795 UNI-EID_sfst_AL2 costs 15169.600 real_cost = 305.820 UNI-EID_sfst_AL1-scwrl costs 870.872 real_cost = 236.724 UNI-EID_sfst_AL1 costs 113926.627 real_cost = 274.985 UNI-EID_expm_TS1-scwrl costs 764.693 real_cost = 168.168 UNI-EID_expm_TS1 costs 21985.939 real_cost = 208.081 UNI-EID_bnmx_TS5-scwrl costs 734.237 real_cost = 279.080 UNI-EID_bnmx_TS5 costs 39524.757 real_cost = 324.739 UNI-EID_bnmx_TS4-scwrl costs 717.483 real_cost = 282.356 UNI-EID_bnmx_TS4 costs 65639.553 real_cost = 342.728 UNI-EID_bnmx_TS3-scwrl costs 734.941 real_cost = 250.883 UNI-EID_bnmx_TS3 costs 36392.431 real_cost = 299.895 UNI-EID_bnmx_TS2-scwrl costs 615.391 real_cost = 164.692 UNI-EID_bnmx_TS2 costs 19366.446 real_cost = 237.585 UNI-EID_bnmx_TS1-scwrl costs 661.258 real_cost = 160.413 UNI-EID_bnmx_TS1 costs 131096.414 real_cost = 229.682 SPARKS2_TS5-scwrl costs 494.018 real_cost = 340.011 SPARKS2_TS5 costs 501.890 real_cost = 341.275 SPARKS2_TS4-scwrl costs 448.364 real_cost = 298.190 SPARKS2_TS4 costs 457.759 real_cost = 303.505 SPARKS2_TS3-scwrl costs 469.035 real_cost = 300.412 SPARKS2_TS3 costs 466.334 real_cost = 299.144 SPARKS2_TS2-scwrl costs 435.591 real_cost = 129.099 SPARKS2_TS2 costs 436.499 real_cost = 129.001 SPARKS2_TS1-scwrl costs 434.065 real_cost = 58.634 SPARKS2_TS1 costs 441.670 real_cost = 51.230 SP4_TS5-scwrl costs 458.518 real_cost = 271.725 SP4_TS5 costs 456.338 real_cost = 268.319 SP4_TS4-scwrl costs 481.258 real_cost = 249.954 SP4_TS4 costs 487.939 real_cost = 251.440 SP4_TS3-scwrl costs 428.774 real_cost = 116.432 SP4_TS3 costs 429.916 real_cost = 120.318 SP4_TS2-scwrl costs 434.802 real_cost = 56.867 SP4_TS2 costs 440.355 real_cost = 47.586 SP4_TS1-scwrl costs 431.247 real_cost = 95.541 SP4_TS1 costs 431.254 real_cost = 101.428 SP3_TS5-scwrl costs 476.275 real_cost = 69.996 SP3_TS5 costs 478.839 real_cost = 78.042 SP3_TS4-scwrl costs 430.025 real_cost = 275.908 SP3_TS4 costs 434.859 real_cost = 279.318 SP3_TS3-scwrl costs 442.581 real_cost = 203.947 SP3_TS3 costs 440.063 real_cost = 205.613 SP3_TS2-scwrl costs 427.455 real_cost = 91.507 SP3_TS2 costs 435.283 real_cost = 99.759 SP3_TS1-scwrl costs 426.762 real_cost = 51.254 SP3_TS1 costs 429.832 real_cost = 38.933 SAM_T06_server_TS5-scwrl costs 1005.721 real_cost = 433.541 SAM_T06_server_TS5 costs 950.804 real_cost = 431.007 SAM_T06_server_TS4-scwrl costs 978.340 real_cost = 396.094 SAM_T06_server_TS4 costs 893.889 real_cost = 383.553 SAM_T06_server_TS3-scwrl costs 1059.762 real_cost = 332.158 SAM_T06_server_TS3 costs 1004.725 real_cost = 328.167 SAM_T06_server_TS2-scwrl costs 820.644 real_cost = 265.413 SAM_T06_server_TS2 costs 744.689 real_cost = 239.694 SAM_T06_server_TS1-scwrl costs 373.232 real_cost = 155.041 SAM_T06_server_TS1 costs 367.258 real_cost = 156.077 SAM-T99_AL3-scwrl costs 715.923 real_cost = 343.070 SAM-T99_AL3 costs 59807.294 real_cost = 412.968 SAM-T99_AL2-scwrl costs 1034.762 real_cost = 240.334 SAM-T99_AL2 costs 12195.413 real_cost = 245.393 SAM-T99_AL1-scwrl costs 1029.562 real_cost = 233.501 SAM-T99_AL1 costs 11286.297 real_cost = 243.333 SAM-T02_AL5-scwrl costs 603.109 real_cost = 385.597 SAM-T02_AL5 costs 29246.781 real_cost = 470.419 SAM-T02_AL4-scwrl costs 1096.623 real_cost = 513.934 SAM-T02_AL4 costs 14600.472 real_cost = 541.082 SAM-T02_AL3-scwrl costs 643.074 real_cost = 316.504 SAM-T02_AL3 costs 93198.868 real_cost = 392.625 SAM-T02_AL2-scwrl costs 1149.102 real_cost = 501.948 SAM-T02_AL2 costs 13111.638 real_cost = 520.802 SAM-T02_AL1-scwrl costs 936.159 real_cost = 172.234 SAM-T02_AL1 costs 11010.292 real_cost = 188.475 ROKKY_TS5-scwrl costs 496.296 real_cost = 165.742 ROKKY_TS5 costs 490.128 real_cost = 157.898 ROKKY_TS4-scwrl costs 497.866 real_cost = 193.275 ROKKY_TS4 costs 502.900 real_cost = 193.981 ROKKY_TS3-scwrl costs 504.981 real_cost = 173.815 ROKKY_TS3 costs 502.905 real_cost = 185.630 ROKKY_TS2-scwrl costs 544.827 real_cost = 252.233 ROKKY_TS2 costs 532.701 real_cost = 248.949 ROKKY_TS1-scwrl costs 576.360 real_cost = 221.261 ROKKY_TS1 costs 559.480 real_cost = 217.551 ROBETTA_TS5-scwrl costs 415.318 real_cost = 56.068 ROBETTA_TS5 costs 411.686 real_cost = 65.817 ROBETTA_TS4-scwrl costs 396.642 real_cost = 29.705 ROBETTA_TS4 costs 387.562 real_cost = 37.738 ROBETTA_TS3-scwrl costs 418.022 real_cost = 28.417 ROBETTA_TS3 costs 401.500 real_cost = 31.532 ROBETTA_TS2-scwrl costs 424.269 real_cost = 147.373 ROBETTA_TS2 costs 421.183 real_cost = 152.554 ROBETTA_TS1-scwrl costs 430.884 real_cost = 162.993 ROBETTA_TS1 costs 420.964 real_cost = 164.989 RAPTOR_TS5-scwrl costs 447.788 real_cost = 129.547 RAPTOR_TS5 costs 446.144 real_cost = 135.596 RAPTOR_TS4-scwrl costs 466.048 real_cost = 121.705 RAPTOR_TS4 costs 475.714 real_cost = 105.103 RAPTOR_TS3-scwrl costs 425.309 real_cost = 40.092 RAPTOR_TS3 costs 425.825 real_cost = 44.026 RAPTOR_TS2-scwrl costs 449.606 real_cost = 97.458 RAPTOR_TS2 costs 447.875 real_cost = 103.618 RAPTOR_TS1-scwrl costs 450.783 real_cost = 49.334 RAPTOR_TS1 costs 452.332 real_cost = 59.721 RAPTORESS_TS5-scwrl costs 452.019 real_cost = 115.572 RAPTORESS_TS5 costs 459.972 real_cost = 120.039 RAPTORESS_TS4-scwrl costs 412.524 real_cost = 44.924 RAPTORESS_TS4 costs 411.363 real_cost = 53.128 RAPTORESS_TS3-scwrl costs 425.119 real_cost = 95.523 RAPTORESS_TS3 costs 429.223 real_cost = 102.701 RAPTORESS_TS2-scwrl costs 428.213 real_cost = 62.029 RAPTORESS_TS2 costs 434.259 real_cost = 74.090 RAPTORESS_TS1-scwrl costs 440.665 real_cost = 157.801 RAPTORESS_TS1 costs 438.758 real_cost = 162.386 RAPTOR-ACE_TS5-scwrl costs 427.455 real_cost = 91.507 RAPTOR-ACE_TS5 costs 435.283 real_cost = 99.759 RAPTOR-ACE_TS4-scwrl costs 476.275 real_cost = 69.996 RAPTOR-ACE_TS4 costs 478.839 real_cost = 78.042 RAPTOR-ACE_TS3-scwrl costs 426.762 real_cost = 51.254 RAPTOR-ACE_TS3 costs 429.832 real_cost = 38.933 RAPTOR-ACE_TS2-scwrl costs 413.394 real_cost = 116.037 RAPTOR-ACE_TS2 costs 412.063 real_cost = 117.742 RAPTOR-ACE_TS1-scwrl costs 450.317 real_cost = 61.796 RAPTOR-ACE_TS1 costs 451.211 real_cost = 63.700 Pmodeller6_TS5-scwrl costs 609.647 real_cost = 107.269 Pmodeller6_TS5 costs 592.893 real_cost = 101.950 Pmodeller6_TS4-scwrl costs 504.272 real_cost = 73.929 Pmodeller6_TS4 costs 483.664 real_cost = 66.526 Pmodeller6_TS3-scwrl costs 541.768 real_cost = 48.357 Pmodeller6_TS3 costs 531.176 real_cost = 47.633 Pmodeller6_TS2-scwrl costs 418.022 real_cost = 28.417 Pmodeller6_TS2 costs 401.500 real_cost = 31.532 Pmodeller6_TS1-scwrl costs 396.642 real_cost = 29.705 Pmodeller6_TS1 costs 387.562 real_cost = 37.738 Phyre-2_TS5-scwrl costs 822.454 real_cost = 178.125 Phyre-2_TS5 costs 797.644 real_cost = 167.468 Phyre-2_TS4-scwrl costs 782.662 real_cost = 176.114 Phyre-2_TS4 costs 758.836 real_cost = 164.127 Phyre-2_TS3-scwrl costs 784.228 real_cost = 192.230 Phyre-2_TS3 costs 752.635 real_cost = 177.170 Phyre-2_TS2-scwrl costs 817.142 real_cost = 232.767 Phyre-2_TS2 costs 798.728 real_cost = 224.832 Phyre-2_TS1-scwrl costs 476.609 real_cost = 118.827 Phyre-2_TS1 costs 499.285 real_cost = 116.311 Phyre-1_TS1-scwrl costs 840.353 real_cost = 190.623 Phyre-1_TS1 costs 801.518 real_cost = 176.420 Pcons6_TS5-scwrl costs 532.272 real_cost = 174.245 Pcons6_TS5 costs 517.766 real_cost = 169.077 Pcons6_TS4-scwrl costs 525.985 real_cost = 164.050 Pcons6_TS4 costs 506.689 real_cost = 159.337 Pcons6_TS3-scwrl costs 504.272 real_cost = 73.929 Pcons6_TS3 costs 483.664 real_cost = 66.526 Pcons6_TS2-scwrl costs 514.398 real_cost = 89.571 Pcons6_TS2 costs 512.890 real_cost = 89.573 Pcons6_TS1-scwrl costs 613.860 real_cost = 112.881 Pcons6_TS1 costs 595.721 real_cost = 106.293 PROTINFO_TS5-scwrl costs 451.400 real_cost = 113.272 PROTINFO_TS5 costs 461.829 real_cost = 118.466 PROTINFO_TS4-scwrl costs 436.044 real_cost = 185.173 PROTINFO_TS4 costs 442.108 real_cost = 183.154 PROTINFO_TS3-scwrl costs 442.548 real_cost = 119.070 PROTINFO_TS3 costs 442.804 real_cost = 121.974 PROTINFO_TS2-scwrl costs 461.089 real_cost = 253.582 PROTINFO_TS2 costs 462.746 real_cost = 253.969 PROTINFO_TS1-scwrl costs 438.269 real_cost = 104.268 PROTINFO_TS1 costs 448.848 real_cost = 107.848 PROTINFO-AB_TS5-scwrl costs 449.700 real_cost = 129.576 PROTINFO-AB_TS5 costs 462.091 real_cost = 131.316 PROTINFO-AB_TS4-scwrl costs 441.955 real_cost = 109.585 PROTINFO-AB_TS4 costs 452.433 real_cost = 110.232 PROTINFO-AB_TS3-scwrl costs 422.878 real_cost = 112.733 PROTINFO-AB_TS3 costs 434.087 real_cost = 118.304 PROTINFO-AB_TS2-scwrl costs 433.568 real_cost = 108.640 PROTINFO-AB_TS2 costs 443.391 real_cost = 112.744 PROTINFO-AB_TS1-scwrl costs 426.720 real_cost = 115.885 PROTINFO-AB_TS1 costs 437.325 real_cost = 118.417 POMYSL_TS5-scwrl costs 540.851 real_cost = 327.500 POMYSL_TS5 costs 539.869 real_cost = 328.957 POMYSL_TS4-scwrl costs 581.106 real_cost = 330.405 POMYSL_TS4 costs 580.919 real_cost = 333.597 POMYSL_TS3-scwrl costs 577.177 real_cost = 304.378 POMYSL_TS3 costs 582.423 real_cost = 306.169 POMYSL_TS2-scwrl costs 533.799 real_cost = 338.837 POMYSL_TS2 costs 543.815 real_cost = 339.681 POMYSL_TS1-scwrl costs 569.889 real_cost = 322.120 POMYSL_TS1 costs 582.159 real_cost = 325.436 NN_PUT_lab_TS1-scwrl costs 474.395 real_cost = 152.762 NN_PUT_lab_TS1 costs 24150.879 real_cost = 233.069 MetaTasser_TS5-scwrl costs 541.809 real_cost = 82.137 MetaTasser_TS5 costs 564.135 real_cost = 84.014 MetaTasser_TS4-scwrl costs 565.416 real_cost = 92.849 MetaTasser_TS4 costs 602.078 real_cost = 93.301 MetaTasser_TS3-scwrl costs 494.344 real_cost = 6.501 MetaTasser_TS3 costs 527.192 real_cost = 5.385 MetaTasser_TS2-scwrl costs 531.070 real_cost = 129.399 MetaTasser_TS2 costs 552.627 real_cost = 131.278 MetaTasser_TS1-scwrl costs 517.037 real_cost = 62.650 MetaTasser_TS1 costs 546.995 real_cost = 70.857 Ma-OPUS-server_TS5-scwrl costs 488.787 real_cost = 99.764 Ma-OPUS-server_TS5 costs 492.780 real_cost = 120.021 Ma-OPUS-server_TS4-scwrl costs 457.077 real_cost = 325.241 Ma-OPUS-server_TS4 costs 464.491 real_cost = 324.920 Ma-OPUS-server_TS3-scwrl costs 429.074 real_cost = 238.256 Ma-OPUS-server_TS3 costs 436.855 real_cost = 232.590 Ma-OPUS-server_TS2-scwrl costs 421.960 real_cost = 257.439 Ma-OPUS-server_TS2 costs 432.873 real_cost = 254.473 Ma-OPUS-server_TS1-scwrl costs 427.055 real_cost = 28.872 Ma-OPUS-server_TS1 costs 434.563 real_cost = 42.241 Ma-OPUS-server2_TS5-scwrl costs 488.787 real_cost = 99.764 Ma-OPUS-server2_TS5 costs 492.780 real_cost = 120.021 Ma-OPUS-server2_TS4-scwrl costs 434.305 real_cost = 318.478 Ma-OPUS-server2_TS4 costs 441.544 real_cost = 320.558 Ma-OPUS-server2_TS3-scwrl costs 445.709 real_cost = 320.425 Ma-OPUS-server2_TS3 costs 446.003 real_cost = 318.371 Ma-OPUS-server2_TS2-scwrl costs 427.489 real_cost = 214.315 Ma-OPUS-server2_TS2 costs 436.900 real_cost = 216.525 Ma-OPUS-server2_TS1-scwrl costs 426.225 real_cost = 39.717 Ma-OPUS-server2_TS1 costs 438.582 real_cost = 47.519 MIG_FROST_AL1-scwrl costs 726.690 real_cost = 325.234 MIG_FROST_AL1 costs 726.690 real_cost = 325.234 LOOPP_TS5 costs 715.839 real_cost = 319.590 LOOPP_TS4-scwrl costs 632.956 real_cost = 310.007 LOOPP_TS4 costs 613.212 real_cost = 309.013 LOOPP_TS3-scwrl costs 463.705 real_cost = 299.721 LOOPP_TS3 costs 463.731 real_cost = 299.388 LOOPP_TS2-scwrl costs 516.517 real_cost = 47.414 LOOPP_TS2 costs 503.651 real_cost = 51.597 LOOPP_TS1-scwrl costs 464.271 real_cost = 283.038 LOOPP_TS1 costs 462.173 real_cost = 286.004 Huber-Torda-Server_TS5-scwrl costs 613.930 real_cost = 280.049 Huber-Torda-Server_TS5 costs 9948.852 real_cost = 335.662 Huber-Torda-Server_TS4-scwrl costs 581.823 real_cost = 258.632 Huber-Torda-Server_TS4 costs 11826.933 real_cost = 313.917 Huber-Torda-Server_TS3-scwrl costs 643.248 real_cost = 361.757 Huber-Torda-Server_TS3 costs 6303.957 real_cost = 412.045 Huber-Torda-Server_TS2-scwrl costs 1278.720 real_cost = 896.466 Huber-Torda-Server_TS2 costs 1554.365 real_cost = 899.466 Huber-Torda-Server_TS1-scwrl costs 1279.673 real_cost = 896.466 Huber-Torda-Server_TS1 costs 1572.625 real_cost = 899.466 HHpred3_TS1-scwrl costs 449.596 real_cost = 87.497 HHpred3_TS1 costs 445.004 real_cost = 84.637 HHpred2_TS1-scwrl costs 449.596 real_cost = 87.497 HHpred2_TS1 costs 445.004 real_cost = 84.637 HHpred1_TS1-scwrl costs 462.244 real_cost = 94.513 HHpred1_TS1 costs 456.918 real_cost = 99.050 GeneSilicoMetaServer_TS5-scwrl costs 505.698 real_cost = 139.794 GeneSilicoMetaServer_TS5 costs 504.568 real_cost = 146.597 GeneSilicoMetaServer_TS4-scwrl costs 501.402 real_cost = 184.366 GeneSilicoMetaServer_TS4 costs 494.537 real_cost = 186.789 GeneSilicoMetaServer_TS3-scwrl costs 829.859 real_cost = 167.934 GeneSilicoMetaServer_TS3 costs 823.436 real_cost = 152.334 GeneSilicoMetaServer_TS2-scwrl costs 429.404 real_cost = 122.958 GeneSilicoMetaServer_TS2 costs 420.776 real_cost = 126.745 GeneSilicoMetaServer_TS1-scwrl costs 465.083 real_cost = 87.161 GeneSilicoMetaServer_TS1 costs 464.415 real_cost = 100.091 FUNCTION_TS5-scwrl costs 511.101 real_cost = 242.619 FUNCTION_TS5 costs 512.149 real_cost = 242.213 FUNCTION_TS4-scwrl costs 516.112 real_cost = 257.600 FUNCTION_TS4 costs 516.268 real_cost = 258.438 FUNCTION_TS3-scwrl costs 586.025 real_cost = 174.645 FUNCTION_TS3 costs 557.385 real_cost = 184.256 FUNCTION_TS2-scwrl costs 669.010 real_cost = 252.915 FUNCTION_TS2 costs 636.846 real_cost = 250.445 FUNCTION_TS1-scwrl costs 597.704 real_cost = 268.261 FUNCTION_TS1 costs 575.645 real_cost = 266.252 FUGUE_AL5-scwrl costs 611.608 real_cost = 336.341 FUGUE_AL5 costs 41800.020 real_cost = 423.617 FUGUE_AL4-scwrl costs 590.547 real_cost = 378.885 FUGUE_AL4 costs 34169.284 real_cost = 460.440 FUGUE_AL3-scwrl costs 545.039 real_cost = 258.298 FUGUE_AL3 costs 41346.234 real_cost = 343.446 FUGUE_AL2-scwrl costs 691.057 real_cost = 299.483 FUGUE_AL2 costs 125771.157 real_cost = 361.617 FUGUE_AL1-scwrl costs 474.395 real_cost = 152.762 FUGUE_AL1 costs 24150.879 real_cost = 233.069 FUGMOD_TS5-scwrl costs 489.360 real_cost = 303.894 FUGMOD_TS5 costs 499.642 real_cost = 303.760 FUGMOD_TS4-scwrl costs 470.224 real_cost = 343.118 FUGMOD_TS4 costs 480.240 real_cost = 342.981 FUGMOD_TS3-scwrl costs 438.006 real_cost = 233.762 FUGMOD_TS3 costs 442.390 real_cost = 228.635 FUGMOD_TS2-scwrl costs 508.269 real_cost = 236.436 FUGMOD_TS2 costs 510.939 real_cost = 239.098 FUGMOD_TS1-scwrl costs 412.161 real_cost = 126.675 FUGMOD_TS1 costs 413.053 real_cost = 128.662 FPSOLVER-SERVER_TS5-scwrl costs 516.060 real_cost = 345.710 FPSOLVER-SERVER_TS5 costs 513.366 real_cost = 345.984 FPSOLVER-SERVER_TS4-scwrl costs 496.688 real_cost = 309.786 FPSOLVER-SERVER_TS4 costs 498.109 real_cost = 307.632 FPSOLVER-SERVER_TS3-scwrl costs 499.909 real_cost = 331.725 FPSOLVER-SERVER_TS3 costs 499.904 real_cost = 331.730 FPSOLVER-SERVER_TS2-scwrl costs 480.964 real_cost = 339.116 FPSOLVER-SERVER_TS2 costs 483.002 real_cost = 339.928 FPSOLVER-SERVER_TS1-scwrl costs 492.035 real_cost = 338.774 FPSOLVER-SERVER_TS1 costs 492.301 real_cost = 338.770 FORTE2_AL5-scwrl costs 617.707 real_cost = 293.068 FORTE2_AL5 costs 45106.987 real_cost = 384.297 FORTE2_AL4-scwrl costs 595.860 real_cost = 305.207 FORTE2_AL4 costs 45282.441 real_cost = 368.130 FORTE2_AL3-scwrl costs 668.080 real_cost = 280.914 FORTE2_AL3 costs 31220.288 real_cost = 352.027 FORTE2_AL2-scwrl costs 705.142 real_cost = 156.714 FORTE2_AL2 costs 130716.950 real_cost = 201.473 FORTE2_AL1-scwrl costs 607.714 real_cost = 180.772 FORTE2_AL1 costs 131224.002 real_cost = 247.910 FORTE1_AL5-scwrl costs 1221.323 real_cost = 436.149 FORTE1_AL5 costs 27508.509 real_cost = 436.149 FORTE1_AL4-scwrl costs 617.707 real_cost = 293.068 FORTE1_AL4 costs 45106.987 real_cost = 384.297 FORTE1_AL3-scwrl costs 714.423 real_cost = 153.330 FORTE1_AL3 costs 36452.248 real_cost = 222.736 FORTE1_AL2-scwrl costs 727.743 real_cost = 263.205 FORTE1_AL2 costs 122742.270 real_cost = 311.745 FORTE1_AL1-scwrl costs 607.714 real_cost = 180.772 FORTE1_AL1 costs 131224.002 real_cost = 247.910 FOLDpro_TS5-scwrl costs 467.086 real_cost = 338.595 FOLDpro_TS5 costs 477.951 real_cost = 339.533 FOLDpro_TS4-scwrl costs 455.462 real_cost = 276.284 FOLDpro_TS4 costs 455.787 real_cost = 277.507 FOLDpro_TS3-scwrl costs 462.006 real_cost = 335.199 FOLDpro_TS3 costs 472.106 real_cost = 335.123 FOLDpro_TS2-scwrl costs 473.984 real_cost = 279.981 FOLDpro_TS2 costs 485.039 real_cost = 280.348 FOLDpro_TS1-scwrl costs 438.396 real_cost = 212.123 FOLDpro_TS1 costs 442.203 real_cost = 211.390 FAMS_TS5-scwrl costs 492.570 real_cost = 175.480 FAMS_TS5 costs 480.085 real_cost = 182.258 FAMS_TS4-scwrl costs 462.353 real_cost = 121.045 FAMS_TS4 costs 468.397 real_cost = 113.312 FAMS_TS3-scwrl costs 482.557 real_cost = 165.113 FAMS_TS3 costs 484.249 real_cost = 177.473 FAMS_TS2-scwrl costs 438.870 real_cost = 71.232 FAMS_TS2 costs 446.309 real_cost = 51.406 FAMS_TS1-scwrl costs 445.845 real_cost = 125.679 FAMS_TS1 costs 450.013 real_cost = 130.359 FAMSD_TS5-scwrl costs 482.557 real_cost = 165.113 FAMSD_TS5 costs 484.249 real_cost = 177.473 FAMSD_TS4-scwrl costs 492.570 real_cost = 175.480 FAMSD_TS4 costs 480.085 real_cost = 182.258 FAMSD_TS3-scwrl costs 804.631 real_cost = 153.333 FAMSD_TS3 costs 791.506 real_cost = 156.401 FAMSD_TS2-scwrl costs 575.757 real_cost = 195.060 FAMSD_TS2 costs 548.493 real_cost = 201.565 FAMSD_TS1-scwrl costs 519.695 real_cost = 106.047 FAMSD_TS1 costs 513.551 real_cost = 102.975 Distill_TS5-scwrl costs 2302.405 real_cost = 385.777 Distill_TS4-scwrl costs 2301.760 real_cost = 372.223 Distill_TS3-scwrl costs 2298.497 real_cost = 375.476 Distill_TS2-scwrl costs 2296.153 real_cost = 355.161 Distill_TS1-scwrl costs 2305.064 real_cost = 374.825 CaspIta-FOX_TS5-scwrl costs 878.081 real_cost = 433.195 CaspIta-FOX_TS5 costs 829.555 real_cost = 424.214 CaspIta-FOX_TS4-scwrl costs 597.561 real_cost = 347.628 CaspIta-FOX_TS4 costs 572.446 real_cost = 344.942 CaspIta-FOX_TS3-scwrl costs 693.429 real_cost = 349.325 CaspIta-FOX_TS3 costs 669.836 real_cost = 344.304 CaspIta-FOX_TS2-scwrl costs 544.778 real_cost = 6.192 CaspIta-FOX_TS2 costs 537.158 real_cost = 5.940 CaspIta-FOX_TS1-scwrl costs 886.041 real_cost = 432.783 CaspIta-FOX_TS1 costs 861.063 real_cost = 423.197 CIRCLE_TS5-scwrl costs 462.353 real_cost = 121.045 CIRCLE_TS5 costs 468.397 real_cost = 113.312 CIRCLE_TS4-scwrl costs 445.058 real_cost = 67.644 CIRCLE_TS4 costs 451.019 real_cost = 94.052 CIRCLE_TS3-scwrl costs 440.143 real_cost = 145.415 CIRCLE_TS3 costs 443.058 real_cost = 150.558 CIRCLE_TS2-scwrl costs 542.848 real_cost = 78.649 CIRCLE_TS2 costs 532.979 real_cost = 77.875 CIRCLE_TS1-scwrl costs 438.870 real_cost = 71.232 CIRCLE_TS1 costs 446.309 real_cost = 51.406 Bilab-ENABLE_TS1-scwrl costs 416.357 real_cost = 119.900 Bilab-ENABLE_TS1 costs 416.357 real_cost = 119.900 BayesHH_TS1-scwrl costs 629.832 real_cost = 124.620 BayesHH_TS1 costs 609.428 real_cost = 118.013 ABIpro_TS5-scwrl costs 527.925 real_cost = 301.399 ABIpro_TS5 costs 527.114 real_cost = 301.214 ABIpro_TS4-scwrl costs 494.400 real_cost = 260.878 ABIpro_TS4 costs 494.400 real_cost = 260.878 ABIpro_TS3-scwrl costs 498.903 real_cost = 217.545 ABIpro_TS3 costs 498.611 real_cost = 217.542 ABIpro_TS2-scwrl costs 510.653 real_cost = 243.341 ABIpro_TS2 costs 510.653 real_cost = 243.341 ABIpro_TS1-scwrl costs 542.706 real_cost = 243.867 ABIpro_TS1 costs 540.966 real_cost = 243.868 3Dpro_TS5-scwrl costs 542.706 real_cost = 243.867 3Dpro_TS5 costs 540.966 real_cost = 243.868 3Dpro_TS4-scwrl costs 495.965 real_cost = 273.295 3Dpro_TS4 costs 507.000 real_cost = 279.878 3Dpro_TS3-scwrl costs 517.546 real_cost = 359.778 3Dpro_TS3 costs 525.373 real_cost = 359.039 3Dpro_TS2-scwrl costs 443.988 real_cost = 203.891 3Dpro_TS2 costs 446.438 real_cost = 207.818 3Dpro_TS1-scwrl costs 438.396 real_cost = 212.123 3Dpro_TS1 costs 442.203 real_cost = 211.390 3D-JIGSAW_TS5-scwrl costs 569.864 real_cost = 288.538 3D-JIGSAW_TS5 costs 553.373 real_cost = 294.049 3D-JIGSAW_TS4-scwrl costs 693.336 real_cost = 327.410 3D-JIGSAW_TS4 costs 651.395 real_cost = 326.729 3D-JIGSAW_TS3-scwrl costs 583.099 real_cost = 339.605 3D-JIGSAW_TS3 costs 587.620 real_cost = 339.334 3D-JIGSAW_TS2-scwrl costs 689.404 real_cost = 298.233 3D-JIGSAW_TS2 costs 662.525 real_cost = 294.385 3D-JIGSAW_TS1-scwrl costs 529.734 real_cost = 299.276 3D-JIGSAW_TS1 costs 535.340 real_cost = 300.793 3D-JIGSAW_RECOM_TS5-scwrl costs 600.100 real_cost = 347.182 3D-JIGSAW_RECOM_TS5 costs 558.199 real_cost = 340.192 3D-JIGSAW_RECOM_TS4-scwrl costs 513.614 real_cost = 234.211 3D-JIGSAW_RECOM_TS4 costs 519.389 real_cost = 248.951 3D-JIGSAW_RECOM_TS3-scwrl costs 570.071 real_cost = 251.666 3D-JIGSAW_RECOM_TS3 costs 563.873 real_cost = 264.150 3D-JIGSAW_RECOM_TS2-scwrl costs 589.532 real_cost = 346.953 3D-JIGSAW_RECOM_TS2 costs 547.790 real_cost = 340.082 3D-JIGSAW_RECOM_TS1-scwrl costs 611.324 real_cost = 356.855 3D-JIGSAW_RECOM_TS1 costs 574.237 real_cost = 349.619 3D-JIGSAW_POPULUS_TS5-scwrl costs 630.428 real_cost = 340.222 3D-JIGSAW_POPULUS_TS5 costs 606.816 real_cost = 337.459 3D-JIGSAW_POPULUS_TS4-scwrl costs 559.780 real_cost = 307.412 3D-JIGSAW_POPULUS_TS4 costs 540.349 real_cost = 304.838 3D-JIGSAW_POPULUS_TS3-scwrl costs 478.234 real_cost = 328.735 3D-JIGSAW_POPULUS_TS3 costs 477.850 real_cost = 328.726 3D-JIGSAW_POPULUS_TS2-scwrl costs 651.525 real_cost = 321.464 3D-JIGSAW_POPULUS_TS2 costs 632.254 real_cost = 316.309 3D-JIGSAW_POPULUS_TS1-scwrl costs 534.883 real_cost = 271.665 3D-JIGSAW_POPULUS_TS1 costs 524.774 real_cost = 270.065 T0357.try9-opt2.repack-nonPC.pdb.gz costs 383.646 real_cost = 178.489 T0357.try9-opt2.pdb.gz costs 380.317 real_cost = 179.622 T0357.try9-opt2.gromacs0.repack-nonPC.pdb.gz costs 399.976 real_cost = 185.318 T0357.try9-opt2.gromacs0.pdb.gz costs 397.323 real_cost = 180.986 T0357.try9-opt1.pdb.gz costs 388.331 real_cost = 178.508 T0357.try9-opt1-scwrl.pdb.gz costs 391.987 real_cost = 181.697 T0357.try8-opt2.pdb.gz costs 387.504 real_cost = 189.559 T0357.try8-opt2.gromacs0.repack-nonPC.pdb.gz costs 416.431 real_cost = 199.239 T0357.try8-opt2.gromacs0.pdb.gz costs 401.780 real_cost = 191.100 T0357.try8-opt1.pdb.gz costs 400.554 real_cost = 195.361 T0357.try8-opt1-scwrl.pdb.gz costs 401.939 real_cost = 194.405 T0357.try6-opt2.repack-nonPC.pdb.gz costs 400.049 real_cost = 202.904 T0357.try6-opt2.pdb.gz costs 394.202 real_cost = 206.142 T0357.try6-opt2.gromacs0.repack-nonPC.pdb.gz costs 416.965 real_cost = 198.008 T0357.try6-opt2.gromacs0.pdb.gz costs 412.419 real_cost = 203.844 T0357.try6-opt1.pdb.gz costs 408.059 real_cost = 206.119 T0357.try6-opt1-scwrl.pdb.gz costs 409.781 real_cost = 202.232 T0357.try5-opt2.repack-nonPC.pdb.gz costs 403.549 real_cost = 222.208 T0357.try5-opt2.pdb.gz costs 398.577 real_cost = 224.580 T0357.try5-opt2.gromacs0.repack-nonPC.pdb.gz costs 412.969 real_cost = 223.020 T0357.try5-opt2.gromacs0.pdb.gz costs 410.283 real_cost = 226.387 T0357.try5-opt1.pdb.gz costs 410.064 real_cost = 218.771 T0357.try5-opt1-scwrl.pdb.gz costs 412.885 real_cost = 217.671 T0357.try4-opt2.repack-nonPC.pdb.gz costs 395.161 real_cost = 199.563 T0357.try4-opt2.pdb.gz costs 390.772 real_cost = 204.692 T0357.try4-opt2.gromacs0.repack-nonPC.pdb.gz costs 409.811 real_cost = 202.537 T0357.try4-opt2.gromacs0.pdb.gz costs 409.183 real_cost = 207.673 T0357.try4-opt1.pdb.gz costs 407.637 real_cost = 202.332 T0357.try4-opt1-scwrl.pdb.gz costs 408.050 real_cost = 205.184 T0357.try3-opt2.repack-nonPC.pdb.gz costs 393.299 real_cost = 176.660 T0357.try3-opt2.pdb.gz costs 389.414 real_cost = 178.804 T0357.try3-opt2.gromacs0.repack-nonPC.pdb.gz costs 411.742 real_cost = 183.592 T0357.try3-opt2.gromacs0.pdb.gz costs 407.943 real_cost = 181.617 T0357.try3-opt1.pdb.gz costs 403.283 real_cost = 184.498 T0357.try3-opt1-scwrl.pdb.gz costs 403.471 real_cost = 186.225 T0357.try2-opt2.repack-nonPC.pdb.gz costs 373.791 real_cost = 164.652 T0357.try2-opt2.pdb.gz costs 369.219 real_cost = 162.553 T0357.try2-opt2.gromacs0.repack-nonPC.pdb.gz costs 386.809 real_cost = 165.798 T0357.try2-opt2.gromacs0.pdb.gz costs 384.568 real_cost = 161.723 T0357.try2-opt1.pdb.gz costs 386.365 real_cost = 158.810 T0357.try2-opt1-scwrl.pdb.gz costs 388.675 real_cost = 157.157 T0357.try14-opt2.repack-nonPC.pdb.gz costs 382.932 real_cost = 199.808 T0357.try14-opt2.pdb.gz costs 379.649 real_cost = 198.530 T0357.try14-opt2.gromacs0.repack-nonPC.pdb.gz costs 399.177 real_cost = 206.696 T0357.try14-opt2.gromacs0.pdb.gz costs 396.354 real_cost = 202.891 T0357.try14-opt1.pdb.gz costs 389.711 real_cost = 199.752 T0357.try14-opt1-scwrl.pdb.gz costs 392.618 real_cost = 200.163 T0357.try13-opt2.repack-nonPC.pdb.gz costs 370.011 real_cost = 187.643 T0357.try13-opt2.pdb.gz costs 365.734 real_cost = 187.677 T0357.try13-opt2.gromacs0.repack-nonPC.pdb.gz costs 393.847 real_cost = 189.377 T0357.try13-opt2.gromacs0.pdb.gz costs 389.324 real_cost = 191.077 T0357.try13-opt1.pdb.gz costs 369.459 real_cost = 185.435 T0357.try13-opt1-scwrl.pdb.gz costs 376.423 real_cost = 184.858 T0357.try12-opt2.repack-nonPC.pdb.gz costs 373.456 real_cost = 185.396 T0357.try12-opt2.pdb.gz costs 369.822 real_cost = 184.766 T0357.try12-opt2.gromacs0.repack-nonPC.pdb.gz costs 395.563 real_cost = 182.939 T0357.try12-opt2.gromacs0.pdb.gz costs 392.524 real_cost = 185.101 T0357.try12-opt1.pdb.gz costs 381.379 real_cost = 182.965 T0357.try12-opt1-scwrl.pdb.gz costs 384.135 real_cost = 183.249 T0357.try11-opt2.repack-nonPC.pdb.gz costs 372.712 real_cost = 179.833 T0357.try11-opt2.pdb.gz costs 368.681 real_cost = 183.426 T0357.try11-opt2.gromacs0.repack-nonPC.pdb.gz costs 398.137 real_cost = 183.388 T0357.try11-opt2.gromacs0.pdb.gz costs 394.167 real_cost = 182.640 T0357.try11-opt1.pdb.gz costs 377.444 real_cost = 183.446 T0357.try11-opt1-scwrl.pdb.gz costs 383.961 real_cost = 181.535 T0357.try10-opt2.repack-nonPC.pdb.gz costs 383.664 real_cost = 193.513 T0357.try10-opt2.pdb.gz costs 380.101 real_cost = 192.897 T0357.try10-opt2.gromacs0.repack-nonPC.pdb.gz costs 403.860 real_cost = 191.021 T0357.try10-opt2.gromacs0.pdb.gz costs 400.755 real_cost = 191.717 T0357.try10-opt1.pdb.gz costs 385.980 real_cost = 189.266 T0357.try10-opt1-scwrl.pdb.gz costs 393.987 real_cost = 190.698 T0357.try1-opt2.repack-nonPC.pdb.gz costs 378.321 real_cost = 158.319 T0357.try1-opt2.pdb.gz costs 374.338 real_cost = 156.883 T0357.try1-opt2.gromacs0.repack-nonPC.pdb.gz costs 401.532 real_cost = 153.214 T0357.try1-opt2.gromacs0.pdb.gz costs 401.659 real_cost = 151.048 T0357.try1-opt1.pdb.gz costs 388.789 real_cost = 157.668 T0357.try1-opt1-scwrl.pdb.gz costs 388.890 real_cost = 155.897 ../model5.ts-submitted costs 374.402 real_cost = 156.903 ../model4.ts-submitted costs 399.185 real_cost = 206.622 ../model3.ts-submitted costs 369.575 real_cost = 162.539 ../model2.ts-submitted costs 399.966 real_cost = 185.352 ../model1.ts-submitted costs 365.835 real_cost = 187.488 align5 costs 897.275 real_cost = 377.457 align4 costs 1161.797 real_cost = 477.605 align3 costs 576.357 real_cost = 294.424 align2 costs 1157.487 real_cost = 331.092 align1 costs 1017.228 real_cost = 311.238 T0357.try1-opt2.pdb costs 374.338 real_cost = 156.890 model5-scwrl costs 378.682 real_cost = 158.182 model5.ts-submitted costs 374.402 real_cost = 156.903 model4-scwrl costs 401.327 real_cost = 203.418 model4.ts-submitted costs 399.185 real_cost = 206.622 model3-scwrl costs 372.260 real_cost = 160.945 model3.ts-submitted costs 369.575 real_cost = 162.539 model2-scwrl costs 402.082 real_cost = 178.724 model2.ts-submitted costs 399.966 real_cost = 185.352 model1-scwrl costs 373.289 real_cost = 185.617 model1.ts-submitted costs 365.835 real_cost = 187.489 2hi6A costs 431.532 real_cost = -878.000 # command:CPU_time= 394.148 sec, elapsed time= 1321.687 sec) # command:rm -f sort.tmp /projects/compbio/bin/sorttbl real_cost < decoys/evaluate.predburial.rdb > sort.tmp mv -f sort.tmp decoys/evaluate.predburial.rdb mv -f decoys/evaluate.predburial.pretty decoys/evaluate.predburial.pretty.old /projects/compbio/experiments/protein-predict/casp7/scripts/prettyscore -terse -targpfx -decpoint < decoys/evaluate.predburial.rdb > decoys/evaluate.predburial.pretty make[1]: Leaving directory `/projects/compbio/experiments/protein-predict/casp7/T0357'