make[1]: Entering directory `/projects/compbio/experiments/protein-predict/casp7/T0360' /projects/compbio/experiments/protein-predict/casp7/starter-directory/Make.main:725: SECONDARY_TARGET = T0360.t06.str2 mkdir -p decoys rm decoys/read-pdb+servers.under cd decoys; shopt -s nullglob ; for x in ../*.ts-submitted* ; do echo ReadConformPDB $x >> read-pdb+servers.under ; done cd decoys; shopt -s nullglob ; for x in *.pdb* ; do echo ReadConformPDB $x >> read-pdb+servers.under ; done cd decoys; shopt -s nullglob ; for x in ../*mer/decoys/*.pdb* ; \ do echo ReadConformPDB $x chain A >> read-pdb+servers.under ; \ y=${x#../} ;\ z=${y/decoys} ;\ a=${z/T0360.} ;\ b=${a%.gz} ;\ c=${b%.pdb} ;\ echo NameConform $c >> read-pdb+servers.under ; \ done cd decoys; shopt -s nullglob ; for x in servers/*.pdb.gz ; do \ echo ReadConformPDB $x >> read-pdb+servers.under ; \ y=${x%.pdb.gz} ; \ z=${y#servers/} ; \ echo NameConform $z >> read-pdb+servers.under ; \ echo SCWRLConform >> read-pdb+servers.under ; \ echo NameConform $z-scwrl >> read-pdb+servers.under ; \ done chgrp protein decoys/read-pdb+servers.under chmod g+w decoys/read-pdb+servers.under rm -f decoys/evaluate.anglevector.rdb sed -e s/XXX0000/T0360/ -e s/START_COL/1/ \ -e s/COSTFCN/anglevector/ \ -e s/_domain// \ -e s/read-pdb/read-pdb+servers/ \ -e s/REAL_PDB/2hxjA/ \ < /projects/compbio/experiments/protein-predict/casp7/starter-directory/evaluate.under \ | nice -2 /cse/grads/jarchie/projects/cvs/karplus/undertaker/undertaker # command:# Seed set to 1182607003 # command:# Prefix for input files set to /projects/compbio/experiments/undertaker/atoms-inputs/ # command:# reading monomeric-50pc.atoms # #computed average backbone with maximum peptide_sq_deviance = 0.002 # computed average trans backbone unit from 8101 examples # computed average cis backbone unit from 20 examples # computed average trans backbone unit before proline from 332 examples # trans (non-proline) backbone unit: # CA= -2.2101 1.0129 -0.0033 # O= -0.1508 2.2440 0.0016 # C= -0.6897 1.1364 -0.0000 # N+1= 0.0000 0.0000 0.0000 # CA+1= 1.4583 -0.0000 -0.0000 # cis backbone unit: # CA= -0.1438 2.4522 0.0007 # O= -2.0283 0.9702 0.0005 # C= -0.8017 1.0759 0.0000 # N+1= 0.0000 0.0000 0.0000 # CA+1= 1.4664 -0.0000 0.0000 # trans backbone unit before proline: # CA= -2.2110 1.0636 -0.0014 # O= -0.1234 2.2469 0.0075 # C= -0.6877 1.1518 0.0000 # N+1= 0.0000 0.0000 0.0000 # CA+1= 1.4665 0.0000 0.0000 # After reading monomeric-50pc.atoms have 448 chains in training database # Count of chains,residues,atoms: 448,112605,876684 # 111048 residues have no bad marker # 665 residues lack atoms needed to compute omega # 322 residues have cis peptide # number of each bad type: # NON_STANDARD_RESIDUE 6 # HAS_OXT 325 # TOO_MANY_ATOMS 1 # TOO_FEW_ATOMS 523 # HAS_UNKNOWN_ATOMS 2 # HAS_DUPLICATE_ATOMS 0 # CHAIN_BREAK_BEFORE 208 # NON_PLANAR_PEPTIDE 143 # BAD_PEPTIDE 685 # Note: may sum to more than number of residues, # because one residue may have multiple problems # command:# Reading rotamer library from dunbrack-1332.rot # command:# Prefix for input files set to /projects/compbio/experiments/undertaker/spots/ # command:# ReadAtomType exp-pdb.types Read AtomType exp-pdb with 49 types. # command:# ReadClashTable exp-pdb-2191-2symm.clash # Read ClashTable exp-pdb-2191-2symm checking bonds symmetric at MaxSep 2 # command:# command:CPU_time= 9.559 sec, elapsed time= 12.240 sec. # command:# Reading spots from monomeric-50pc-dry-5.spot Read prototypes from /projects/compbio/experiments/undertaker/spots/../normalize_prototypes/prototypes # reading histogram from smoothed-monomeric-50pc-dry-5.hist # created burial cost function dry5 with radius 5.000 with spots at monomeric-50pc-dry-5.spot # command:# Reading spots from monomeric-50pc-wet-6.5.spot Read prototypes from /projects/compbio/experiments/undertaker/spots/../normalize_prototypes/prototypes # reading histogram from smoothed-monomeric-50pc-wet-6.5.hist # created burial cost function wet6.5 with radius 6.500 with spots at monomeric-50pc-wet-6.5.spot # command:# Reading spots from monomeric-50pc-dry-6.5.spot Read prototypes from /projects/compbio/experiments/undertaker/spots/../normalize_prototypes/prototypes # reading histogram from smoothed-monomeric-50pc-dry-6.5.hist # created burial cost function dry6.5 with radius 6.500 with spots at monomeric-50pc-dry-6.5.spot # command:# Reading spots from monomeric-50pc-generic-6.5.spot Read prototypes from /projects/compbio/experiments/undertaker/spots/../normalize_prototypes/prototypes # reading histogram from smoothed-monomeric-50pc-generic-6.5.hist # created burial cost function gen6.5 with radius 6.500 with spots at monomeric-50pc-generic-6.5.spot # command:# Reading spots from near-backbone-center.spot # reading histogram from smoothed-near-backbone-2spot.hist # Reading spots from near-backbone-count.spot # created burial cost function near_backbone with radius 9.650 with spots at near-backbone-center.spot counting only near-backbone-count.spot # command:# Reading spots from way-back-center.spot # reading histogram from smoothed-way-back-2spot.hist # Reading spots from way-back-count.spot # created burial cost function way_back with radius 8.900 with spots at way-back-center.spot counting only way-back-count.spot # command:# Reading spots from monomeric-50pc-dry-8.spot Read prototypes from /projects/compbio/experiments/undertaker/spots/../normalize_prototypes/prototypes # reading histogram from smoothed-monomeric-50pc-dry-8.hist # created burial cost function dry8 with radius 8.000 with spots at monomeric-50pc-dry-8.spot # command:# Reading spots from monomeric-50pc-dry-10.spot Read prototypes from /projects/compbio/experiments/undertaker/spots/../normalize_prototypes/prototypes # reading histogram from smoothed-monomeric-50pc-dry-10.hist # created burial cost function dry10 with radius 10.000 with spots at monomeric-50pc-dry-10.spot # command:# Reading spots from monomeric-50pc-dry-12.spot Read prototypes from /projects/compbio/experiments/undertaker/spots/../normalize_prototypes/prototypes # reading histogram from smoothed-monomeric-50pc-dry-12.hist # created burial cost function dry12 with radius 12.000 with spots at monomeric-50pc-dry-12.spot # command:# reading histogram from dunbrack-2191-alpha.hist # created alpha cost function alpha with offset 0 and 360 bins # command:# reading histogram from dunbrack-2191-alpha-1.hist # created alpha cost function alpha_prev with offset -1 and 360 bins # command:# Prefix for input files set to /projects/compbio/lib/alphabet/ # command:# Read 3 alphabets from alpha.alphabet # command:CPU_time= 9.680 sec, elapsed time= 12.471 sec. # command:# Prefix for input files set to # command:# Making conformation for sequence T0360 numbered 1 through 141 Created new target T0360 from T0360.a2m # command:# command:# No conformations to remove in PopConform # command:# cleared Id set # command:# command:2hxjA expands to /projects/compbio/data/pdb/2hxj.pdb.gz 2hxjA:Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Read 116 residues and 920 atoms. # WARNING: incomplete conformation T0360 can't currently be optimized by undertaker # command:# Saving current conformation as real # command:# Prefix for output files set to decoys/ # command:# SetRealCost created real_cost = # ( 50.000 * real_hbond + 50.000 * real_hbond_u + 50.000 * decoy_hbond + 50.000 * decoy_hbond_u + 10.000 * real_NO_hbond + 10.000 * real_NO_hbond_u + 10.000 * decoy_NO_hbond + 10.000 * decoy_NO_hbond_u + 10.000 * knot + 200.000 * clens + 0.000 * rmsd + 35.000 * log_rmsd + 0.000 * rmsd_ca + 30.000 * log_rmsd_ca + 1.000 * GDT + 1.000 * smooth_GDT + 0.200 * missing_atoms ) # command:# SetCost created cost = # ) # command:# reading script from file anglevector.costfcn # Prefix for input files set to /projects/compbio/lib/alphabet/ # Read 2 alphabets from anglevector.alphabet # Prefix for input files set to # CreateCombinedNNet created CombinedNNet bys_t2k # CreateCombinedNNet created CombinedNNet bys_t04 # CreateCombinedNNet created CombinedNNet bys_t06 # CreateCombinedNNet created CombinedNNet bys_mean # created predicted AngleVectorPredCostFcn pred_bys_t2k # created predicted AngleVectorPredCostFcn pred_bys_t04 # created predicted AngleVectorPredCostFcn pred_bys_t06 # created predicted AngleVectorPredCostFcn pred_bys_mean # CreateCombinedNNet created CombinedNNet pb_t2k # CreateCombinedNNet created CombinedNNet pb_t04 # CreateCombinedNNet created CombinedNNet pb_t06 # CreateCombinedNNet created CombinedNNet pb_mean # created predicted AngleVectorPredCostFcn pred_pb_t2k # created predicted AngleVectorPredCostFcn pred_pb_t04 # created predicted AngleVectorPredCostFcn pred_pb_t06 # created predicted AngleVectorPredCostFcn pred_pb_mean # SetCost created cost = # ( 5.000 * bystroff + 5.000 * pred_bys_t2k + 5.000 * pred_bys_t04 + 5.000 * pred_bys_t06 + 5.000 * pred_bys_mean + 5.000 * pred_pb_t2k + 5.000 * pred_pb_t04 + 5.000 * pred_pb_t06 + 5.000 * pred_pb_mean ) # command:CPU_time= 13.853 sec, elapsed time= 20.710 sec. # command:# Prefix for input files set to # command:# ReadConformPDB reading from PDB file model1.ts-submitted looking for model 1 # choosing archetypes in rotamer library # Found a chain break before 111 # copying to AlignedFragments data structure # command:Warning: Couldn't open file decoys/model1.gdt for output # fraction of real conformation used = 1.000 # GDT_score = -55.172 # GDT_score(maxd=8.000,maxw=2.900)= -57.294 # GDT_score(maxd=8.000,maxw=3.200)= -54.209 # GDT_score(maxd=8.000,maxw=3.500)= -51.307 # GDT_score(maxd=10.000,maxw=3.800)= -54.040 # GDT_score(maxd=10.000,maxw=4.000)= -52.308 # GDT_score(maxd=10.000,maxw=4.200)= -50.708 # GDT_score(maxd=12.000,maxw=4.300)= -53.909 # GDT_score(maxd=12.000,maxw=4.500)= -52.334 # GDT_score(maxd=12.000,maxw=4.700)= -50.795 # GDT_score(maxd=14.000,maxw=5.200)= -50.328 # GDT_score(maxd=14.000,maxw=5.500)= -48.335 # command:# Prefix for output files set to # command:Warning: Couldn't open file T0360.model1-real.pdb for output Error: Couldn't open file T0360.model1-real.pdb for output superimposing iter= 0 total_weight= 1384 rmsd (weighted)= 10.2564 (unweighted)= 15.4953 superimposing iter= 1 total_weight= 4551.29 rmsd (weighted)= 3.52342 (unweighted)= 15.805 superimposing iter= 2 total_weight= 2604.14 rmsd (weighted)= 1.95552 (unweighted)= 15.9831 superimposing iter= 3 total_weight= 1463.96 rmsd (weighted)= 1.52395 (unweighted)= 16.0382 superimposing iter= 4 total_weight= 1077.59 rmsd (weighted)= 1.39545 (unweighted)= 16.0504 superimposing iter= 5 total_weight= 992.478 rmsd (weighted)= 1.33228 (unweighted)= 16.0425 EXPDTA model1.ts-submitted MODEL 1 REMARK 44 REMARK 44 model 1 is called model1.ts-submitted ATOM 1 N MET A 1 -37.287 6.952 -29.074 1.00 0.00 ATOM 2 CA MET A 1 -36.169 6.361 -28.286 1.00 0.00 ATOM 3 CB MET A 1 -35.540 5.188 -29.047 1.00 0.00 ATOM 4 CG MET A 1 -36.446 3.988 -29.224 1.00 0.00 ATOM 5 SD MET A 1 -35.565 2.619 -30.001 1.00 0.00 ATOM 6 CE MET A 1 -34.670 1.952 -28.601 1.00 0.00 ATOM 7 O MET A 1 -34.352 7.820 -28.852 1.00 0.00 ATOM 8 C MET A 1 -35.071 7.367 -27.962 1.00 0.00 ATOM 9 N THR A 2 -34.935 7.703 -26.683 1.00 0.00 ATOM 10 CA THR A 2 -33.913 8.647 -26.254 1.00 0.00 ATOM 11 CB THR A 2 -34.195 8.979 -24.775 1.00 0.00 ATOM 12 CG2 THR A 2 -33.079 9.896 -24.217 1.00 0.00 ATOM 13 OG1 THR A 2 -35.439 9.691 -24.699 1.00 0.00 ATOM 14 O THR A 2 -31.613 8.768 -26.941 1.00 0.00 ATOM 15 C THR A 2 -32.545 8.050 -26.570 1.00 0.00 ATOM 16 N GLN A 3 -32.447 6.745 -26.449 1.00 0.00 ATOM 17 CA GLN A 3 -31.191 6.062 -26.723 1.00 0.00 ATOM 18 CB GLN A 3 -31.719 4.419 -26.642 1.00 0.00 ATOM 19 CG GLN A 3 -33.122 4.215 -26.089 1.00 0.00 ATOM 20 CD GLN A 3 -33.276 4.763 -24.685 1.00 0.00 ATOM 21 OE1 GLN A 3 -32.458 4.490 -23.813 1.00 0.00 ATOM 22 NE2 GLN A 3 -34.310 5.564 -24.471 1.00 0.00 ATOM 23 O GLN A 3 -29.678 6.399 -28.537 1.00 0.00 ATOM 24 C GLN A 3 -30.824 6.106 -28.193 1.00 0.00 ATOM 25 N GLU A 4 -31.779 5.837 -29.069 1.00 0.00 ATOM 26 CA GLU A 4 -31.517 5.865 -30.497 1.00 0.00 ATOM 27 CB GLU A 4 -33.045 5.946 -31.200 1.00 0.00 ATOM 28 CG GLU A 4 -33.317 5.225 -32.520 1.00 0.00 ATOM 29 CD GLU A 4 -34.693 5.522 -33.096 1.00 0.00 ATOM 30 OE1 GLU A 4 -35.598 5.787 -32.333 1.00 0.00 ATOM 31 OE2 GLU A 4 -34.878 5.440 -34.328 1.00 0.00 ATOM 32 O GLU A 4 -30.291 7.430 -31.844 1.00 0.00 ATOM 33 C GLU A 4 -31.156 7.266 -30.977 1.00 0.00 ATOM 34 N THR A 5 -31.822 8.270 -30.436 1.00 0.00 ATOM 35 CA THR A 5 -31.563 9.650 -30.817 1.00 0.00 ATOM 36 CB THR A 5 -32.633 10.546 -30.201 1.00 0.00 ATOM 37 CG2 THR A 5 -32.385 12.019 -30.551 1.00 0.00 ATOM 38 OG1 THR A 5 -33.919 10.181 -30.763 1.00 0.00 ATOM 39 O THR A 5 -29.402 10.630 -31.155 1.00 0.00 ATOM 40 C THR A 5 -30.158 10.062 -30.371 1.00 0.00 ATOM 41 N ALA A 6 -29.790 9.730 -29.141 1.00 0.00 ATOM 42 CA ALA A 6 -28.434 10.023 -28.684 1.00 0.00 ATOM 43 CB ALA A 6 -28.270 9.660 -27.233 1.00 0.00 ATOM 44 O ALA A 6 -26.396 9.839 -29.948 1.00 0.00 ATOM 45 C ALA A 6 -27.416 9.277 -29.538 1.00 0.00 ATOM 46 N LEU A 7 -27.713 8.010 -29.820 1.00 0.00 ATOM 47 CA LEU A 7 -26.802 7.181 -30.603 1.00 0.00 ATOM 48 CB LEU A 7 -27.301 5.728 -30.666 1.00 0.00 ATOM 49 CG LEU A 7 -26.537 4.883 -31.709 1.00 0.00 ATOM 50 CD1 LEU A 7 -25.130 4.597 -31.181 1.00 0.00 ATOM 51 CD2 LEU A 7 -27.272 3.577 -32.044 1.00 0.00 ATOM 52 O LEU A 7 -25.442 7.787 -32.483 1.00 0.00 ATOM 53 C LEU A 7 -26.576 7.739 -32.007 1.00 0.00 ATOM 54 N GLY A 8 -27.650 8.187 -32.664 1.00 0.00 ATOM 55 CA GLY A 8 -27.537 8.753 -34.001 1.00 0.00 ATOM 56 O GLY A 8 -25.829 10.210 -34.876 1.00 0.00 ATOM 57 C GLY A 8 -26.644 9.991 -33.971 1.00 0.00 ATOM 58 N ALA A 9 -26.831 10.813 -32.961 1.00 0.00 ATOM 59 CA ALA A 9 -26.026 12.037 -32.806 1.00 0.00 ATOM 60 CB ALA A 9 -26.530 12.833 -31.664 1.00 0.00 ATOM 61 O ALA A 9 -23.682 12.400 -33.216 1.00 0.00 ATOM 62 C ALA A 9 -24.531 11.711 -32.664 1.00 0.00 ATOM 63 N ALA A 10 -24.239 10.724 -31.844 1.00 0.00 ATOM 64 CA ALA A 10 -22.855 10.357 -31.636 1.00 0.00 ATOM 65 CB ALA A 10 -22.751 9.303 -30.601 1.00 0.00 ATOM 66 O ALA A 10 -21.107 10.284 -33.241 1.00 0.00 ATOM 67 C ALA A 10 -22.230 9.895 -32.940 1.00 0.00 ATOM 68 N LEU A 11 -22.970 9.096 -33.695 1.00 0.00 ATOM 69 CA LEU A 11 -22.440 8.581 -34.960 1.00 0.00 ATOM 70 CB LEU A 11 -23.367 7.489 -35.515 1.00 0.00 ATOM 71 CG LEU A 11 -23.330 6.180 -34.723 1.00 0.00 ATOM 72 CD1 LEU A 11 -24.400 5.219 -35.257 1.00 0.00 ATOM 73 CD2 LEU A 11 -21.914 5.572 -34.829 1.00 0.00 ATOM 74 O LEU A 11 -21.377 9.604 -36.874 1.00 0.00 ATOM 75 C LEU A 11 -22.273 9.697 -36.028 1.00 0.00 ATOM 76 N LYS A 12 -23.165 10.680 -36.041 1.00 0.00 ATOM 77 CA LYS A 12 -23.142 11.717 -37.058 1.00 0.00 ATOM 78 CB LYS A 12 -24.580 12.086 -37.369 1.00 0.00 ATOM 79 CG LYS A 12 -25.343 11.076 -38.146 1.00 0.00 ATOM 80 CD LYS A 12 -24.731 10.854 -39.493 1.00 0.00 ATOM 81 CE LYS A 12 -25.661 10.089 -40.416 1.00 0.00 ATOM 82 NZ LYS A 12 -24.977 9.782 -41.739 1.00 0.00 ATOM 83 O LYS A 12 -21.236 13.175 -36.950 1.00 0.00 ATOM 84 C LYS A 12 -22.366 12.941 -36.535 1.00 0.00 ATOM 85 N SER A 13 -22.945 13.728 -35.633 1.00 0.00 ATOM 86 CA SER A 13 -22.245 14.879 -35.095 1.00 0.00 ATOM 87 CB SER A 13 -23.170 15.854 -34.369 1.00 0.00 ATOM 88 OG SER A 13 -23.663 15.241 -33.201 1.00 0.00 ATOM 89 O SER A 13 -19.927 15.203 -34.549 1.00 0.00 ATOM 90 C SER A 13 -20.952 14.551 -34.339 1.00 0.00 ATOM 91 N ALA A 14 -20.930 13.531 -33.351 1.00 0.00 ATOM 92 CA ALA A 14 -19.770 13.117 -32.572 1.00 0.00 ATOM 93 CB ALA A 14 -20.019 11.990 -31.634 1.00 0.00 ATOM 94 O ALA A 14 -17.536 13.193 -33.429 1.00 0.00 ATOM 95 C ALA A 14 -18.654 12.701 -33.516 1.00 0.00 ATOM 96 N VAL A 15 -18.992 11.787 -34.433 1.00 0.00 ATOM 97 CA VAL A 15 -18.020 11.304 -35.399 1.00 0.00 ATOM 98 CB VAL A 15 -18.629 10.190 -36.273 1.00 0.00 ATOM 99 CG1 VAL A 15 -17.732 9.913 -37.490 1.00 0.00 ATOM 100 CG2 VAL A 15 -18.800 8.916 -35.413 1.00 0.00 ATOM 101 O VAL A 15 -16.293 12.577 -36.500 1.00 0.00 ATOM 102 C VAL A 15 -17.497 12.468 -36.248 1.00 0.00 ATOM 103 N GLN A 16 -18.389 13.343 -36.666 1.00 0.00 ATOM 104 CA GLN A 16 -17.989 14.481 -37.483 1.00 0.00 ATOM 105 CB GLN A 16 -19.198 15.283 -37.957 1.00 0.00 ATOM 106 CG GLN A 16 -18.806 16.554 -38.686 1.00 0.00 ATOM 107 CD GLN A 16 -19.926 17.084 -39.525 1.00 0.00 ATOM 108 OE1 GLN A 16 -20.410 16.396 -40.423 1.00 0.00 ATOM 109 NE2 GLN A 16 -20.353 18.311 -39.248 1.00 0.00 ATOM 110 O GLN A 16 -15.993 15.796 -37.178 1.00 0.00 ATOM 111 C GLN A 16 -17.068 15.409 -36.696 1.00 0.00 ATOM 112 N THR A 17 -17.460 15.751 -35.477 1.00 0.00 ATOM 113 CA THR A 17 -16.668 16.643 -34.644 1.00 0.00 ATOM 114 CB THR A 17 -17.496 17.226 -33.484 1.00 0.00 ATOM 115 CG2 THR A 17 -16.651 18.178 -32.652 1.00 0.00 ATOM 116 OG1 THR A 17 -18.622 17.941 -34.008 1.00 0.00 ATOM 117 O THR A 17 -15.636 15.197 -33.042 1.00 0.00 ATOM 118 C THR A 17 -15.490 15.907 -34.028 1.00 0.00 ATOM 119 N MET A 18 -14.320 16.079 -34.623 1.00 0.00 ATOM 120 CA MET A 18 -13.108 15.448 -34.130 1.00 0.00 ATOM 121 CB MET A 18 -11.797 16.363 -34.678 1.00 0.00 ATOM 122 CG MET A 18 -10.410 15.687 -34.716 1.00 0.00 ATOM 123 SD MET A 18 -9.138 16.964 -35.097 1.00 0.00 ATOM 124 CE MET A 18 -9.392 17.103 -36.778 1.00 0.00 ATOM 125 O MET A 18 -12.614 15.061 -31.813 1.00 0.00 ATOM 126 C MET A 18 -12.932 15.879 -32.675 1.00 0.00 ATOM 127 N SER A 19 -13.206 17.139 -32.409 1.00 0.00 ATOM 128 CA SER A 19 -13.056 17.674 -31.056 1.00 0.00 ATOM 129 CB SER A 19 -13.280 19.188 -31.066 1.00 0.00 ATOM 130 OG SER A 19 -13.138 19.735 -29.766 1.00 0.00 ATOM 131 O SER A 19 -13.675 16.721 -28.942 1.00 0.00 ATOM 132 C SER A 19 -14.057 17.139 -30.035 1.00 0.00 ATOM 133 N LYS A 20 -15.321 17.156 -30.362 1.00 0.00 ATOM 134 CA LYS A 20 -16.372 16.665 -29.479 1.00 0.00 ATOM 135 CB LYS A 20 -17.759 16.923 -30.068 1.00 0.00 ATOM 136 CG LYS A 20 -18.906 16.465 -29.179 1.00 0.00 ATOM 137 CD LYS A 20 -20.252 16.827 -29.784 1.00 0.00 ATOM 138 CE LYS A 20 -21.395 16.389 -28.885 1.00 0.00 ATOM 139 NZ LYS A 20 -22.723 16.740 -29.465 1.00 0.00 ATOM 140 O LYS A 20 -16.324 14.755 -28.041 1.00 0.00 ATOM 141 C LYS A 20 -16.173 15.190 -29.184 1.00 0.00 ATOM 142 N LYS A 21 -15.830 14.407 -30.206 1.00 0.00 ATOM 143 CA LYS A 21 -15.626 12.975 -30.017 1.00 0.00 ATOM 144 CB LYS A 21 -15.360 12.296 -31.363 1.00 0.00 ATOM 145 CG LYS A 21 -15.274 10.782 -31.287 1.00 0.00 ATOM 146 CD LYS A 21 -15.101 10.168 -32.670 1.00 0.00 ATOM 147 CE LYS A 21 -14.990 8.654 -32.591 1.00 0.00 ATOM 148 NZ LYS A 21 -14.801 8.041 -33.934 1.00 0.00 ATOM 149 O LYS A 21 -14.553 11.745 -28.247 1.00 0.00 ATOM 150 C LYS A 21 -14.458 12.647 -29.085 1.00 0.00 ATOM 151 N LYS A 22 -13.364 13.395 -29.226 1.00 0.00 ATOM 152 CA LYS A 22 -12.180 13.191 -28.400 1.00 0.00 ATOM 153 CB LYS A 22 -11.087 14.193 -28.776 1.00 0.00 ATOM 154 CG LYS A 22 -9.800 14.036 -27.982 1.00 0.00 ATOM 155 CD LYS A 22 -8.736 15.014 -28.454 1.00 0.00 ATOM 156 CE LYS A 22 -7.467 14.889 -27.626 1.00 0.00 ATOM 157 NZ LYS A 22 -6.422 15.858 -28.062 1.00 0.00 ATOM 158 O LYS A 22 -12.156 12.596 -26.083 1.00 0.00 ATOM 159 C LYS A 22 -12.534 13.393 -26.938 1.00 0.00 ATOM 160 N GLN A 23 -13.272 14.458 -26.649 1.00 0.00 ATOM 161 CA GLN A 23 -13.669 14.735 -25.281 1.00 0.00 ATOM 162 CB GLN A 23 -14.412 16.071 -25.198 1.00 0.00 ATOM 163 CG GLN A 23 -13.527 17.288 -25.409 1.00 0.00 ATOM 164 CD GLN A 23 -14.314 18.584 -25.434 1.00 0.00 ATOM 165 OE1 GLN A 23 -15.543 18.574 -25.381 1.00 0.00 ATOM 166 NE2 GLN A 23 -13.605 19.704 -25.512 1.00 0.00 ATOM 167 O GLN A 23 -14.487 13.185 -23.626 1.00 0.00 ATOM 168 C GLN A 23 -14.592 13.626 -24.772 1.00 0.00 ATOM 169 N THR A 24 -15.490 13.159 -25.630 1.00 0.00 ATOM 170 CA THR A 24 -16.417 12.096 -25.271 1.00 0.00 ATOM 171 CB THR A 24 -17.418 11.800 -26.402 1.00 0.00 ATOM 172 CG2 THR A 24 -18.356 10.671 -26.001 1.00 0.00 ATOM 173 OG1 THR A 24 -18.196 12.972 -26.675 1.00 0.00 ATOM 174 O THR A 24 -16.028 10.096 -24.034 1.00 0.00 ATOM 175 C THR A 24 -15.687 10.803 -24.972 1.00 0.00 ATOM 176 N GLU A 25 -14.680 10.484 -25.799 1.00 0.00 ATOM 177 CA GLU A 25 -13.920 9.262 -25.616 1.00 0.00 ATOM 178 CB GLU A 25 -12.840 9.162 -26.695 1.00 0.00 ATOM 179 CG GLU A 25 -12.004 7.893 -26.621 1.00 0.00 ATOM 180 CD GLU A 25 -10.969 7.811 -27.723 1.00 0.00 ATOM 181 OE1 GLU A 25 -10.913 8.743 -28.553 1.00 0.00 ATOM 182 OE2 GLU A 25 -10.213 6.818 -27.756 1.00 0.00 ATOM 183 O GLU A 25 -13.196 8.237 -23.567 1.00 0.00 ATOM 184 C GLU A 25 -13.213 9.251 -24.259 1.00 0.00 ATOM 185 N MET A 26 -12.662 10.390 -23.899 1.00 0.00 ATOM 186 CA MET A 26 -11.978 10.516 -22.623 1.00 0.00 ATOM 187 CB MET A 26 -11.238 11.851 -22.525 1.00 0.00 ATOM 188 CG MET A 26 -10.010 11.905 -23.433 1.00 0.00 ATOM 189 SD MET A 26 -9.211 13.500 -23.584 1.00 0.00 ATOM 190 CE MET A 26 -8.367 13.633 -21.973 1.00 0.00 ATOM 191 O MET A 26 -12.605 9.730 -20.438 1.00 0.00 ATOM 192 C MET A 26 -12.941 10.370 -21.434 1.00 0.00 ATOM 193 N ILE A 27 -14.126 10.963 -21.526 1.00 0.00 ATOM 194 CA ILE A 27 -15.096 10.848 -20.441 1.00 0.00 ATOM 195 CB ILE A 27 -16.259 11.824 -20.656 1.00 0.00 ATOM 196 CG1 ILE A 27 -15.793 13.265 -20.488 1.00 0.00 ATOM 197 CG2 ILE A 27 -17.428 11.497 -19.691 1.00 0.00 ATOM 198 CD1 ILE A 27 -16.787 14.291 -20.925 1.00 0.00 ATOM 199 O ILE A 27 -15.564 8.851 -19.195 1.00 0.00 ATOM 200 C ILE A 27 -15.546 9.398 -20.296 1.00 0.00 ATOM 201 N ALA A 28 -15.901 8.789 -21.416 1.00 0.00 ATOM 202 CA ALA A 28 -16.352 7.402 -21.415 1.00 0.00 ATOM 203 CB ALA A 28 -16.796 6.979 -22.806 1.00 0.00 ATOM 204 O ALA A 28 -15.413 5.605 -20.130 1.00 0.00 ATOM 205 C ALA A 28 -15.222 6.492 -20.969 1.00 0.00 ATOM 206 N ASP A 29 -14.012 6.735 -21.482 1.00 0.00 ATOM 207 CA ASP A 29 -12.863 5.933 -21.087 1.00 0.00 ATOM 208 CB ASP A 29 -11.643 6.331 -21.922 1.00 0.00 ATOM 209 CG ASP A 29 -11.742 5.863 -23.359 1.00 0.00 ATOM 210 OD1 ASP A 29 -12.630 5.036 -23.655 1.00 0.00 ATOM 211 OD2 ASP A 29 -10.934 6.325 -24.192 1.00 0.00 ATOM 212 O ASP A 29 -12.264 5.181 -18.887 1.00 0.00 ATOM 213 C ASP A 29 -12.557 6.135 -19.606 1.00 0.00 ATOM 214 N HIS A 30 -12.618 7.385 -19.173 1.00 0.00 ATOM 215 CA HIS A 30 -12.373 7.721 -17.772 1.00 0.00 ATOM 216 CB HIS A 30 -12.454 9.235 -17.565 1.00 0.00 ATOM 217 CG HIS A 30 -12.194 9.665 -16.155 1.00 0.00 ATOM 218 CD2 HIS A 30 -13.006 10.185 -15.063 1.00 0.00 ATOM 219 ND1 HIS A 30 -10.942 9.628 -15.583 1.00 0.00 ATOM 220 CE1 HIS A 30 -11.024 10.073 -14.317 1.00 0.00 ATOM 221 NE2 HIS A 30 -12.260 10.409 -13.998 1.00 0.00 ATOM 222 O HIS A 30 -13.131 6.631 -15.772 1.00 0.00 ATOM 223 C HIS A 30 -13.430 7.065 -16.883 1.00 0.00 ATOM 224 N ILE A 31 -14.663 6.986 -17.380 1.00 0.00 ATOM 225 CA ILE A 31 -15.755 6.373 -16.628 1.00 0.00 ATOM 226 CB ILE A 31 -17.127 6.580 -17.317 1.00 0.00 ATOM 227 CG1 ILE A 31 -17.527 8.052 -17.328 1.00 0.00 ATOM 228 CG2 ILE A 31 -18.223 5.734 -16.665 1.00 0.00 ATOM 229 CD1 ILE A 31 -17.767 8.717 -15.995 1.00 0.00 ATOM 230 O ILE A 31 -15.602 4.375 -15.288 1.00 0.00 ATOM 231 C ILE A 31 -15.458 4.886 -16.396 1.00 0.00 ATOM 232 N TYR A 32 -14.986 4.214 -17.440 1.00 0.00 ATOM 233 CA TYR A 32 -14.631 2.801 -17.348 1.00 0.00 ATOM 234 CB TYR A 32 -15.649 1.940 -18.098 1.00 0.00 ATOM 235 CG TYR A 32 -17.071 2.111 -17.616 1.00 0.00 ATOM 236 CD1 TYR A 32 -17.976 2.889 -18.327 1.00 0.00 ATOM 237 CD2 TYR A 32 -17.504 1.493 -16.449 1.00 0.00 ATOM 238 CE1 TYR A 32 -19.277 3.050 -17.894 1.00 0.00 ATOM 239 CE2 TYR A 32 -18.802 1.644 -16.000 1.00 0.00 ATOM 240 CZ TYR A 32 -19.690 2.428 -16.733 1.00 0.00 ATOM 241 OH TYR A 32 -20.985 2.589 -16.301 1.00 0.00 ATOM 242 O TYR A 32 -13.110 1.949 -19.010 1.00 0.00 ATOM 243 C TYR A 32 -13.248 2.577 -17.961 1.00 0.00 ATOM 244 N GLY A 33 -12.192 3.100 -17.303 1.00 0.00 ATOM 245 CA GLY A 33 -10.828 2.940 -17.827 1.00 0.00 ATOM 246 O GLY A 33 -9.577 1.186 -18.857 1.00 0.00 ATOM 247 C GLY A 33 -10.391 1.493 -17.988 1.00 0.00 ATOM 248 N LYS A 34 -10.878 0.455 -17.174 1.00 0.00 ATOM 249 CA LYS A 34 -10.536 -0.961 -17.278 1.00 0.00 ATOM 250 CB LYS A 34 -11.065 -1.606 -15.877 1.00 0.00 ATOM 251 CG LYS A 34 -10.382 -1.086 -14.612 1.00 0.00 ATOM 252 CD LYS A 34 -11.036 -1.599 -13.341 1.00 0.00 ATOM 253 CE LYS A 34 -12.046 -0.592 -12.856 1.00 0.00 ATOM 254 NZ LYS A 34 -12.679 -0.996 -11.607 1.00 0.00 ATOM 255 O LYS A 34 -10.402 -2.609 -19.015 1.00 0.00 ATOM 256 C LYS A 34 -10.916 -1.527 -18.649 1.00 0.00 ATOM 257 N TYR A 35 -11.779 -0.878 -19.357 1.00 0.00 ATOM 258 CA TYR A 35 -12.194 -1.377 -20.659 1.00 0.00 ATOM 259 CB TYR A 35 -13.612 -0.933 -21.016 1.00 0.00 ATOM 260 CG TYR A 35 -14.700 -1.522 -20.162 1.00 0.00 ATOM 261 CD1 TYR A 35 -15.354 -0.746 -19.228 1.00 0.00 ATOM 262 CD2 TYR A 35 -15.108 -2.840 -20.322 1.00 0.00 ATOM 263 CE1 TYR A 35 -16.360 -1.267 -18.444 1.00 0.00 ATOM 264 CE2 TYR A 35 -16.112 -3.370 -19.543 1.00 0.00 ATOM 265 CZ TYR A 35 -16.738 -2.573 -18.613 1.00 0.00 ATOM 266 OH TYR A 35 -17.753 -3.078 -17.824 1.00 0.00 ATOM 267 O TYR A 35 -11.526 -1.201 -22.963 1.00 0.00 ATOM 268 C TYR A 35 -11.233 -0.959 -21.797 1.00 0.00 ATOM 269 N ASP A 36 -10.090 -0.242 -21.370 1.00 0.00 ATOM 270 CA ASP A 36 -9.061 0.041 -22.389 1.00 0.00 ATOM 271 CB ASP A 36 -9.166 1.552 -22.615 1.00 0.00 ATOM 272 CG ASP A 36 -10.464 1.950 -23.287 1.00 0.00 ATOM 273 OD1 ASP A 36 -10.705 1.500 -24.429 1.00 0.00 ATOM 274 OD2 ASP A 36 -11.242 2.712 -22.675 1.00 0.00 ATOM 275 O ASP A 36 -7.251 -0.166 -20.832 1.00 0.00 ATOM 276 C ASP A 36 -7.628 -0.245 -21.999 1.00 0.00 ATOM 277 N VAL A 37 -6.814 -0.577 -22.993 1.00 0.00 ATOM 278 CA VAL A 37 -5.401 -0.831 -22.792 1.00 0.00 ATOM 279 CB VAL A 37 -4.959 -2.139 -23.473 1.00 0.00 ATOM 280 CG1 VAL A 37 -3.474 -2.380 -23.255 1.00 0.00 ATOM 281 CG2 VAL A 37 -5.727 -3.322 -22.902 1.00 0.00 ATOM 282 O VAL A 37 -4.675 0.449 -24.683 1.00 0.00 ATOM 283 C VAL A 37 -4.808 0.408 -23.456 1.00 0.00 ATOM 284 N PHE A 38 -4.665 1.537 -22.648 1.00 0.00 ATOM 285 CA PHE A 38 -4.164 2.773 -23.217 1.00 0.00 ATOM 286 CB PHE A 38 -3.016 2.489 -24.186 1.00 0.00 ATOM 287 CG PHE A 38 -1.813 1.870 -23.533 1.00 0.00 ATOM 288 CD1 PHE A 38 -1.545 0.519 -23.683 1.00 0.00 ATOM 289 CD2 PHE A 38 -0.948 2.636 -22.772 1.00 0.00 ATOM 290 CE1 PHE A 38 -0.439 -0.050 -23.085 1.00 0.00 ATOM 291 CE2 PHE A 38 0.159 2.064 -22.172 1.00 0.00 ATOM 292 CZ PHE A 38 0.414 0.727 -22.325 1.00 0.00 ATOM 293 O PHE A 38 -6.435 3.504 -23.332 1.00 0.00 ATOM 294 C PHE A 38 -5.365 3.370 -23.934 1.00 0.00 ATOM 295 N LYS A 39 -5.220 3.726 -25.206 1.00 0.00 ATOM 296 CA LYS A 39 -6.351 4.263 -25.947 1.00 0.00 ATOM 297 CB LYS A 39 -5.703 5.449 -26.979 1.00 0.00 ATOM 298 CG LYS A 39 -4.289 6.011 -26.648 1.00 0.00 ATOM 299 CD LYS A 39 -4.383 7.173 -25.678 1.00 0.00 ATOM 300 CE LYS A 39 -2.983 7.721 -25.379 1.00 0.00 ATOM 301 NZ LYS A 39 -3.080 9.042 -24.639 1.00 0.00 ATOM 302 O LYS A 39 -8.101 3.404 -27.340 1.00 0.00 ATOM 303 C LYS A 39 -7.082 3.153 -26.704 1.00 0.00 ATOM 304 N ARG A 40 -6.572 1.930 -26.617 1.00 0.00 ATOM 305 CA ARG A 40 -7.182 0.813 -27.336 1.00 0.00 ATOM 306 CB ARG A 40 -6.135 -0.266 -27.625 1.00 0.00 ATOM 307 CG ARG A 40 -6.652 -1.423 -28.467 1.00 0.00 ATOM 308 CD ARG A 40 -5.552 -2.437 -28.743 1.00 0.00 ATOM 309 NE ARG A 40 -6.043 -3.573 -29.519 1.00 0.00 ATOM 310 CZ ARG A 40 -5.384 -4.719 -29.662 1.00 0.00 ATOM 311 NH1 ARG A 40 -5.906 -5.699 -30.389 1.00 0.00 ATOM 312 NH2 ARG A 40 -4.205 -4.883 -29.080 1.00 0.00 ATOM 313 O ARG A 40 -8.138 -0.403 -25.495 1.00 0.00 ATOM 314 C ARG A 40 -8.316 0.133 -26.588 1.00 0.00 ATOM 315 N PHE A 41 -9.522 0.079 -27.225 1.00 0.00 ATOM 316 CA PHE A 41 -10.648 -0.623 -26.627 1.00 0.00 ATOM 317 CB PHE A 41 -11.950 -0.317 -27.372 1.00 0.00 ATOM 318 CG PHE A 41 -13.179 -0.899 -26.722 1.00 0.00 ATOM 319 CD1 PHE A 41 -13.540 -0.528 -25.440 1.00 0.00 ATOM 320 CD2 PHE A 41 -13.971 -1.800 -27.412 1.00 0.00 ATOM 321 CE1 PHE A 41 -14.670 -1.059 -24.842 1.00 0.00 ATOM 322 CE2 PHE A 41 -15.100 -2.341 -26.818 1.00 0.00 ATOM 323 CZ PHE A 41 -15.450 -1.962 -25.534 1.00 0.00 ATOM 324 O PHE A 41 -10.083 -2.765 -27.564 1.00 0.00 ATOM 325 C PHE A 41 -10.459 -2.139 -26.564 1.00 0.00 ATOM 326 N LYS A 42 -10.708 -2.717 -25.389 1.00 0.00 ATOM 327 CA LYS A 42 -10.636 -4.167 -25.222 1.00 0.00 ATOM 328 CB LYS A 42 -10.435 -4.520 -23.746 1.00 0.00 ATOM 329 CG LYS A 42 -9.088 -4.095 -23.185 1.00 0.00 ATOM 330 CD LYS A 42 -8.964 -4.451 -21.712 1.00 0.00 ATOM 331 CE LYS A 42 -7.609 -4.048 -21.157 1.00 0.00 ATOM 332 NZ LYS A 42 -7.484 -4.366 -19.708 1.00 0.00 ATOM 333 O LYS A 42 -12.959 -4.014 -25.788 1.00 0.00 ATOM 334 C LYS A 42 -11.958 -4.733 -25.739 1.00 0.00 ATOM 335 N PRO A 43 -11.965 -6.013 -26.114 1.00 0.00 ATOM 336 CA PRO A 43 -13.198 -6.664 -26.541 1.00 0.00 ATOM 337 CB PRO A 43 -12.762 -8.086 -26.900 1.00 0.00 ATOM 338 CG PRO A 43 -11.314 -7.958 -27.241 1.00 0.00 ATOM 339 CD PRO A 43 -10.756 -6.927 -26.299 1.00 0.00 ATOM 340 O PRO A 43 -13.725 -6.821 -24.170 1.00 0.00 ATOM 341 C PRO A 43 -14.144 -6.585 -25.323 1.00 0.00 ATOM 342 N LEU A 44 -15.412 -6.280 -25.577 1.00 0.00 ATOM 343 CA LEU A 44 -16.386 -6.060 -24.501 1.00 0.00 ATOM 344 CB LEU A 44 -17.331 -5.009 -25.000 1.00 0.00 ATOM 345 CG LEU A 44 -18.373 -4.473 -24.067 1.00 0.00 ATOM 346 CD1 LEU A 44 -17.774 -3.773 -22.860 1.00 0.00 ATOM 347 CD2 LEU A 44 -19.136 -3.540 -24.954 1.00 0.00 ATOM 348 O LEU A 44 -17.786 -7.938 -24.902 1.00 0.00 ATOM 349 C LEU A 44 -17.237 -7.239 -24.066 1.00 0.00 ATOM 350 N ALA A 45 -17.350 -7.446 -22.754 1.00 0.00 ATOM 351 CA ALA A 45 -18.178 -8.538 -22.225 1.00 0.00 ATOM 352 CB ALA A 45 -18.297 -8.429 -20.713 1.00 0.00 ATOM 353 O ALA A 45 -20.124 -7.390 -23.064 1.00 0.00 ATOM 354 C ALA A 45 -19.573 -8.475 -22.838 1.00 0.00 ATOM 355 N LEU A 46 -20.140 -9.631 -23.136 1.00 0.00 ATOM 356 CA LEU A 46 -21.494 -9.656 -23.685 1.00 0.00 ATOM 357 CB LEU A 46 -21.850 -11.068 -24.099 1.00 0.00 ATOM 358 CG LEU A 46 -20.911 -11.701 -25.123 1.00 0.00 ATOM 359 CD1 LEU A 46 -21.388 -13.128 -25.359 1.00 0.00 ATOM 360 CD2 LEU A 46 -20.804 -10.916 -26.410 1.00 0.00 ATOM 361 O LEU A 46 -22.222 -9.219 -21.428 1.00 0.00 ATOM 362 C LEU A 46 -22.438 -9.039 -22.635 1.00 0.00 ATOM 363 N GLY A 47 -23.520 -8.297 -23.184 1.00 0.00 ATOM 364 CA GLY A 47 -24.479 -7.624 -22.315 1.00 0.00 ATOM 365 O GLY A 47 -24.555 -6.341 -20.296 1.00 0.00 ATOM 366 C GLY A 47 -23.900 -6.666 -21.290 1.00 0.00 ATOM 367 N ILE A 48 -22.694 -6.230 -21.555 1.00 0.00 ATOM 368 CA ILE A 48 -22.041 -5.323 -20.621 1.00 0.00 ATOM 369 CB ILE A 48 -20.572 -5.077 -21.015 1.00 0.00 ATOM 370 CG1 ILE A 48 -19.832 -4.352 -19.889 1.00 0.00 ATOM 371 CG2 ILE A 48 -20.494 -4.224 -22.273 1.00 0.00 ATOM 372 CD1 ILE A 48 -19.711 -5.162 -18.617 1.00 0.00 ATOM 373 O ILE A 48 -22.515 -3.228 -19.561 1.00 0.00 ATOM 374 C ILE A 48 -22.652 -3.944 -20.564 1.00 0.00 ATOM 375 N ASP A 49 -23.345 -3.482 -21.628 1.00 0.00 ATOM 376 CA ASP A 49 -23.935 -2.154 -21.634 1.00 0.00 ATOM 377 CB ASP A 49 -24.747 -1.899 -22.896 1.00 0.00 ATOM 378 CG ASP A 49 -23.902 -1.886 -24.161 1.00 0.00 ATOM 379 OD1 ASP A 49 -22.660 -2.058 -24.106 1.00 0.00 ATOM 380 OD2 ASP A 49 -24.510 -1.699 -25.242 1.00 0.00 ATOM 381 O ASP A 49 -24.847 -0.873 -19.790 1.00 0.00 ATOM 382 C ASP A 49 -24.829 -1.948 -20.387 1.00 0.00 ATOM 383 N GLN A 50 -25.561 -2.987 -20.082 1.00 0.00 ATOM 384 CA GLN A 50 -26.516 -2.916 -18.996 1.00 0.00 ATOM 385 CB GLN A 50 -27.358 -4.193 -18.941 1.00 0.00 ATOM 386 CG GLN A 50 -28.381 -4.310 -20.059 1.00 0.00 ATOM 387 CD GLN A 50 -29.142 -5.621 -20.016 1.00 0.00 ATOM 388 OE1 GLN A 50 -28.881 -6.474 -19.167 1.00 0.00 ATOM 389 NE2 GLN A 50 -30.089 -5.785 -20.932 1.00 0.00 ATOM 390 O GLN A 50 -26.348 -1.914 -16.818 1.00 0.00 ATOM 391 C GLN A 50 -25.870 -2.736 -17.642 1.00 0.00 ATOM 392 N ASP A 51 -24.821 -3.549 -17.309 1.00 0.00 ATOM 393 CA ASP A 51 -24.150 -3.442 -16.001 1.00 0.00 ATOM 394 CB ASP A 51 -22.931 -4.367 -16.019 1.00 0.00 ATOM 395 CG ASP A 51 -23.296 -5.816 -15.759 1.00 0.00 ATOM 396 OD1 ASP A 51 -24.439 -6.071 -15.323 1.00 0.00 ATOM 397 OD2 ASP A 51 -22.439 -6.695 -15.990 1.00 0.00 ATOM 398 O ASP A 51 -23.741 -1.407 -14.822 1.00 0.00 ATOM 399 C ASP A 51 -23.654 -2.013 -15.895 1.00 0.00 ATOM 400 N LEU A 52 -23.147 -1.461 -17.002 1.00 0.00 ATOM 401 CA LEU A 52 -22.640 -0.095 -16.995 1.00 0.00 ATOM 402 CB LEU A 52 -22.093 0.307 -18.344 1.00 0.00 ATOM 403 CG LEU A 52 -20.963 -0.546 -18.885 1.00 0.00 ATOM 404 CD1 LEU A 52 -20.408 -0.054 -20.219 1.00 0.00 ATOM 405 CD2 LEU A 52 -19.794 -0.671 -17.897 1.00 0.00 ATOM 406 O LEU A 52 -23.555 1.812 -15.852 1.00 0.00 ATOM 407 C LEU A 52 -23.758 0.872 -16.623 1.00 0.00 ATOM 408 N ILE A 53 -24.944 0.634 -17.177 1.00 0.00 ATOM 409 CA ILE A 53 -26.083 1.491 -16.888 1.00 0.00 ATOM 410 CB ILE A 53 -27.269 1.171 -17.817 1.00 0.00 ATOM 411 CG1 ILE A 53 -26.914 1.501 -19.268 1.00 0.00 ATOM 412 CG2 ILE A 53 -28.491 1.988 -17.422 1.00 0.00 ATOM 413 CD1 ILE A 53 -27.916 0.979 -20.275 1.00 0.00 ATOM 414 O ILE A 53 -26.682 2.451 -14.770 1.00 0.00 ATOM 415 C ILE A 53 -26.482 1.420 -15.416 1.00 0.00 ATOM 416 N ALA A 54 -26.615 0.228 -14.850 1.00 0.00 ATOM 417 CA ALA A 54 -26.990 0.062 -13.450 1.00 0.00 ATOM 418 CB ALA A 54 -27.125 -1.491 -13.126 1.00 0.00 ATOM 419 O ALA A 54 -26.401 1.403 -11.588 1.00 0.00 ATOM 420 C ALA A 54 -25.972 0.756 -12.558 1.00 0.00 ATOM 421 N ALA A 55 -24.714 0.676 -12.884 1.00 0.00 ATOM 422 CA ALA A 55 -23.667 1.283 -12.044 1.00 0.00 ATOM 423 CB ALA A 55 -22.308 0.823 -12.552 1.00 0.00 ATOM 424 O ALA A 55 -23.391 3.454 -11.057 1.00 0.00 ATOM 425 C ALA A 55 -23.641 2.807 -12.076 1.00 0.00 ATOM 426 N LEU A 56 -23.879 3.369 -13.244 1.00 0.00 ATOM 427 CA LEU A 56 -23.864 4.817 -13.421 1.00 0.00 ATOM 428 CB LEU A 56 -22.861 5.112 -14.507 1.00 0.00 ATOM 429 CG LEU A 56 -21.423 4.850 -14.031 1.00 0.00 ATOM 430 CD1 LEU A 56 -20.487 5.257 -15.147 1.00 0.00 ATOM 431 CD2 LEU A 56 -21.101 5.620 -12.787 1.00 0.00 ATOM 432 O LEU A 56 -25.398 5.395 -15.167 1.00 0.00 ATOM 433 C LEU A 56 -25.226 5.244 -13.958 1.00 0.00 ATOM 434 N PRO A 57 -26.205 5.406 -13.041 1.00 0.00 ATOM 435 CA PRO A 57 -27.586 5.668 -13.417 1.00 0.00 ATOM 436 CB PRO A 57 -28.335 5.691 -12.083 1.00 0.00 ATOM 437 CG PRO A 57 -27.300 6.073 -11.080 1.00 0.00 ATOM 438 CD PRO A 57 -26.021 5.431 -11.536 1.00 0.00 ATOM 439 O PRO A 57 -28.702 6.962 -15.132 1.00 0.00 ATOM 440 C PRO A 57 -27.772 6.885 -14.313 1.00 0.00 ATOM 441 N GLN A 58 -26.841 7.863 -14.293 1.00 0.00 ATOM 442 CA GLN A 58 -26.903 9.012 -15.166 1.00 0.00 ATOM 443 CB GLN A 58 -25.805 10.015 -14.807 1.00 0.00 ATOM 444 CG GLN A 58 -25.943 10.617 -13.419 1.00 0.00 ATOM 445 CD GLN A 58 -24.816 11.573 -13.082 1.00 0.00 ATOM 446 OE1 GLN A 58 -23.944 11.835 -13.911 1.00 0.00 ATOM 447 NE2 GLN A 58 -24.833 12.100 -11.864 1.00 0.00 ATOM 448 O GLN A 58 -27.167 9.486 -17.487 1.00 0.00 ATOM 449 C GLN A 58 -26.750 8.705 -16.646 1.00 0.00 ATOM 450 N TYR A 59 -26.143 7.574 -16.973 1.00 0.00 ATOM 451 CA TYR A 59 -25.888 7.240 -18.378 1.00 0.00 ATOM 452 CB TYR A 59 -24.637 6.359 -18.523 1.00 0.00 ATOM 453 CG TYR A 59 -23.352 7.146 -18.624 1.00 0.00 ATOM 454 CD1 TYR A 59 -22.499 6.974 -19.710 1.00 0.00 ATOM 455 CD2 TYR A 59 -22.983 8.058 -17.641 1.00 0.00 ATOM 456 CE1 TYR A 59 -21.314 7.684 -19.813 1.00 0.00 ATOM 457 CE2 TYR A 59 -21.803 8.774 -17.738 1.00 0.00 ATOM 458 CZ TYR A 59 -20.969 8.585 -18.827 1.00 0.00 ATOM 459 OH TYR A 59 -19.796 9.300 -18.908 1.00 0.00 ATOM 460 O TYR A 59 -27.823 5.810 -18.401 1.00 0.00 ATOM 461 C TYR A 59 -27.072 6.565 -19.037 1.00 0.00 ATOM 462 N ASP A 60 -27.230 6.815 -20.322 1.00 0.00 ATOM 463 CA ASP A 60 -28.269 6.216 -21.135 1.00 0.00 ATOM 464 CB ASP A 60 -29.082 7.263 -21.896 1.00 0.00 ATOM 465 CG ASP A 60 -29.886 8.160 -20.975 1.00 0.00 ATOM 466 OD1 ASP A 60 -30.605 7.625 -20.104 1.00 0.00 ATOM 467 OD2 ASP A 60 -29.796 9.397 -21.124 1.00 0.00 ATOM 468 O ASP A 60 -26.397 5.328 -22.327 1.00 0.00 ATOM 469 C ASP A 60 -27.599 5.282 -22.130 1.00 0.00 ATOM 470 N ALA A 61 -28.419 4.467 -22.785 1.00 0.00 ATOM 471 CA ALA A 61 -27.984 3.620 -23.890 1.00 0.00 ATOM 472 CB ALA A 61 -29.151 2.800 -24.420 1.00 0.00 ATOM 473 O ALA A 61 -26.472 3.972 -25.731 1.00 0.00 ATOM 474 C ALA A 61 -27.399 4.426 -25.049 1.00 0.00 ATOM 475 N ALA A 62 -27.955 5.647 -25.275 1.00 0.00 ATOM 476 CA ALA A 62 -27.469 6.505 -26.347 1.00 0.00 ATOM 477 CB ALA A 62 -28.316 7.761 -26.476 1.00 0.00 ATOM 478 O ALA A 62 -25.157 6.914 -26.862 1.00 0.00 ATOM 479 C ALA A 62 -26.036 6.902 -26.002 1.00 0.00 ATOM 480 N LEU A 63 -25.818 7.215 -24.729 1.00 0.00 ATOM 481 CA LEU A 63 -24.481 7.591 -24.289 1.00 0.00 ATOM 482 CB LEU A 63 -24.450 7.998 -22.857 1.00 0.00 ATOM 483 CG LEU A 63 -25.096 9.361 -22.541 1.00 0.00 ATOM 484 CD1 LEU A 63 -25.355 9.491 -21.041 1.00 0.00 ATOM 485 CD2 LEU A 63 -24.241 10.516 -23.073 1.00 0.00 ATOM 486 O LEU A 63 -22.369 6.655 -24.901 1.00 0.00 ATOM 487 C LEU A 63 -23.514 6.440 -24.494 1.00 0.00 ATOM 488 N ILE A 64 -23.974 5.248 -24.165 1.00 0.00 ATOM 489 CA ILE A 64 -23.159 4.025 -24.349 1.00 0.00 ATOM 490 CB ILE A 64 -23.927 2.802 -23.795 1.00 0.00 ATOM 491 CG1 ILE A 64 -24.055 2.821 -22.280 1.00 0.00 ATOM 492 CG2 ILE A 64 -23.242 1.536 -24.285 1.00 0.00 ATOM 493 CD1 ILE A 64 -25.039 1.784 -21.741 1.00 0.00 ATOM 494 O ILE A 64 -21.666 3.550 -26.177 1.00 0.00 ATOM 495 C ILE A 64 -22.812 3.807 -25.824 1.00 0.00 ATOM 496 N ALA A 65 -23.807 3.919 -26.709 1.00 0.00 ATOM 497 CA ALA A 65 -23.582 3.745 -28.138 1.00 0.00 ATOM 498 CB ALA A 65 -24.867 3.807 -28.916 1.00 0.00 ATOM 499 O ALA A 65 -21.653 4.387 -29.433 1.00 0.00 ATOM 500 C ALA A 65 -22.533 4.758 -28.663 1.00 0.00 ATOM 501 N ARG A 66 -22.650 5.998 -28.230 1.00 0.00 ATOM 502 CA ARG A 66 -21.706 7.031 -28.654 1.00 0.00 ATOM 503 CB ARG A 66 -21.978 8.222 -27.531 1.00 0.00 ATOM 504 CG ARG A 66 -21.525 9.633 -27.794 1.00 0.00 ATOM 505 CD ARG A 66 -21.800 10.488 -26.569 1.00 0.00 ATOM 506 NE ARG A 66 -21.353 11.866 -26.738 1.00 0.00 ATOM 507 CZ ARG A 66 -21.516 12.818 -25.828 1.00 0.00 ATOM 508 NH1 ARG A 66 -21.075 14.046 -26.063 1.00 0.00 ATOM 509 NH2 ARG A 66 -22.130 12.544 -24.683 1.00 0.00 ATOM 510 O ARG A 66 -19.294 6.881 -28.833 1.00 0.00 ATOM 511 C ARG A 66 -20.296 6.662 -28.138 1.00 0.00 ATOM 512 N VAL A 67 -20.239 6.130 -26.926 1.00 0.00 ATOM 513 CA VAL A 67 -18.947 5.668 -26.349 1.00 0.00 ATOM 514 CB VAL A 67 -19.176 5.211 -24.872 1.00 0.00 ATOM 515 CG1 VAL A 67 -17.928 4.498 -24.304 1.00 0.00 ATOM 516 CG2 VAL A 67 -19.539 6.419 -24.038 1.00 0.00 ATOM 517 O VAL A 67 -17.074 4.706 -27.583 1.00 0.00 ATOM 518 C VAL A 67 -18.264 4.606 -27.247 1.00 0.00 ATOM 519 N LEU A 68 -18.959 3.425 -26.643 1.00 0.00 ATOM 520 CA LEU A 68 -18.711 2.017 -26.914 1.00 0.00 ATOM 521 CB LEU A 68 -19.642 1.128 -26.124 1.00 0.00 ATOM 522 CG LEU A 68 -19.227 0.954 -24.662 1.00 0.00 ATOM 523 CD1 LEU A 68 -20.404 0.420 -23.877 1.00 0.00 ATOM 524 CD2 LEU A 68 -18.017 0.022 -24.575 1.00 0.00 ATOM 525 O LEU A 68 -18.121 0.928 -28.985 1.00 0.00 ATOM 526 C LEU A 68 -18.882 1.713 -28.407 1.00 0.00 ATOM 527 N ALA A 69 -19.874 2.331 -29.040 1.00 0.00 ATOM 528 CA ALA A 69 -20.111 2.108 -30.483 1.00 0.00 ATOM 529 CB ALA A 69 -21.298 2.934 -30.915 1.00 0.00 ATOM 530 O ALA A 69 -18.396 1.739 -32.171 1.00 0.00 ATOM 531 C ALA A 69 -18.868 2.484 -31.285 1.00 0.00 ATOM 532 N ASN A 70 -18.286 3.635 -30.909 1.00 0.00 ATOM 533 CA ASN A 70 -17.060 4.084 -31.582 1.00 0.00 ATOM 534 CB ASN A 70 -16.653 5.457 -31.082 1.00 0.00 ATOM 535 CG ASN A 70 -17.568 6.552 -31.574 1.00 0.00 ATOM 536 ND2 ASN A 70 -17.657 7.615 -30.785 1.00 0.00 ATOM 537 OD1 ASN A 70 -18.172 6.450 -32.639 1.00 0.00 ATOM 538 O ASN A 70 -15.150 2.784 -32.218 1.00 0.00 ATOM 539 C ASN A 70 -15.903 3.142 -31.305 1.00 0.00 ATOM 540 N HIS A 71 -15.761 2.718 -30.056 1.00 0.00 ATOM 541 CA HIS A 71 -14.709 1.789 -29.671 1.00 0.00 ATOM 542 CB HIS A 71 -14.781 1.446 -28.182 1.00 0.00 ATOM 543 CG HIS A 71 -14.308 2.547 -27.284 1.00 0.00 ATOM 544 CD2 HIS A 71 -14.927 3.415 -26.293 1.00 0.00 ATOM 545 ND1 HIS A 71 -12.997 2.974 -27.256 1.00 0.00 ATOM 546 CE1 HIS A 71 -12.881 3.968 -26.357 1.00 0.00 ATOM 547 NE2 HIS A 71 -14.034 4.238 -25.776 1.00 0.00 ATOM 548 O HIS A 71 -13.835 -0.027 -31.043 1.00 0.00 ATOM 549 C HIS A 71 -14.832 0.489 -30.474 1.00 0.00 ATOM 550 N CYS A 72 -16.041 -0.104 -30.467 1.00 0.00 ATOM 551 CA CYS A 72 -16.262 -1.362 -31.154 1.00 0.00 ATOM 552 CB CYS A 72 -17.633 -1.957 -30.830 1.00 0.00 ATOM 553 SG CYS A 72 -17.864 -2.397 -29.091 1.00 0.00 ATOM 554 O CYS A 72 -15.878 -2.312 -33.331 1.00 0.00 ATOM 555 C CYS A 72 -16.100 -1.293 -32.676 1.00 0.00 ATOM 556 N ARG A 73 -16.218 -0.099 -33.225 1.00 0.00 ATOM 557 CA ARG A 73 -16.103 0.072 -34.667 1.00 0.00 ATOM 558 CB ARG A 73 -17.382 0.863 -35.257 1.00 0.00 ATOM 559 CG ARG A 73 -18.771 0.301 -35.139 1.00 0.00 ATOM 560 CD ARG A 73 -19.660 1.254 -35.984 1.00 0.00 ATOM 561 NE ARG A 73 -21.033 1.148 -35.523 1.00 0.00 ATOM 562 CZ ARG A 73 -21.883 0.323 -36.128 1.00 0.00 ATOM 563 NH1 ARG A 73 -21.475 -0.406 -37.189 1.00 0.00 ATOM 564 NH2 ARG A 73 -23.132 0.210 -35.714 1.00 0.00 ATOM 565 O ARG A 73 -14.422 0.502 -36.324 1.00 0.00 ATOM 566 C ARG A 73 -14.700 0.465 -35.115 1.00 0.00 ATOM 567 N ARG A 74 -13.817 0.712 -34.151 1.00 0.00 ATOM 568 CA ARG A 74 -12.435 1.061 -34.491 1.00 0.00 ATOM 569 CB ARG A 74 -11.625 1.000 -33.212 1.00 0.00 ATOM 570 CG ARG A 74 -11.604 2.363 -32.599 1.00 0.00 ATOM 571 CD ARG A 74 -10.863 3.388 -33.490 1.00 0.00 ATOM 572 NE ARG A 74 -10.809 4.768 -32.932 1.00 0.00 ATOM 573 CZ ARG A 74 -11.874 5.578 -32.791 1.00 0.00 ATOM 574 NH1 ARG A 74 -13.120 5.207 -33.141 1.00 0.00 ATOM 575 NH2 ARG A 74 -11.705 6.794 -32.270 1.00 0.00 ATOM 576 O ARG A 74 -11.972 -1.277 -34.767 1.00 0.00 ATOM 577 C ARG A 74 -11.683 -0.121 -35.097 1.00 0.00 ATOM 578 N PRO A 75 -10.758 0.175 -36.012 1.00 0.00 ATOM 579 CA PRO A 75 -9.972 -0.859 -36.680 1.00 0.00 ATOM 580 CB PRO A 75 -8.986 -0.072 -37.547 1.00 0.00 ATOM 581 CG PRO A 75 -9.691 1.210 -37.843 1.00 0.00 ATOM 582 CD PRO A 75 -10.434 1.576 -36.590 1.00 0.00 ATOM 583 O PRO A 75 -9.200 -2.996 -35.896 1.00 0.00 ATOM 584 C PRO A 75 -9.231 -1.779 -35.706 1.00 0.00 ATOM 585 N ARG A 76 -8.629 -1.169 -34.688 1.00 0.00 ATOM 586 CA ARG A 76 -7.874 -1.952 -33.710 1.00 0.00 ATOM 587 CB ARG A 76 -7.250 -1.045 -32.648 1.00 0.00 ATOM 588 CG ARG A 76 -6.085 -0.207 -33.150 1.00 0.00 ATOM 589 CD ARG A 76 -5.565 0.723 -32.067 1.00 0.00 ATOM 590 NE ARG A 76 -4.462 1.556 -32.544 1.00 0.00 ATOM 591 CZ ARG A 76 -3.874 2.502 -31.820 1.00 0.00 ATOM 592 NH1 ARG A 76 -2.879 3.210 -32.338 1.00 0.00 ATOM 593 NH2 ARG A 76 -4.282 2.739 -30.581 1.00 0.00 ATOM 594 O ARG A 76 -8.379 -4.133 -32.798 1.00 0.00 ATOM 595 C ARG A 76 -8.754 -2.955 -32.969 1.00 0.00 ATOM 596 N TYR A 77 -9.942 -2.536 -32.554 1.00 0.00 ATOM 597 CA TYR A 77 -10.879 -3.433 -31.887 1.00 0.00 ATOM 598 CB TYR A 77 -12.094 -2.720 -31.447 1.00 0.00 ATOM 599 CG TYR A 77 -13.149 -3.625 -30.886 1.00 0.00 ATOM 600 CD1 TYR A 77 -13.048 -4.120 -29.592 1.00 0.00 ATOM 601 CD2 TYR A 77 -14.228 -3.994 -31.654 1.00 0.00 ATOM 602 CE1 TYR A 77 -14.016 -4.956 -29.080 1.00 0.00 ATOM 603 CE2 TYR A 77 -15.205 -4.839 -31.157 1.00 0.00 ATOM 604 CZ TYR A 77 -15.084 -5.318 -29.870 1.00 0.00 ATOM 605 OH TYR A 77 -16.075 -6.140 -29.350 1.00 0.00 ATOM 606 O TYR A 77 -11.262 -5.743 -32.456 1.00 0.00 ATOM 607 C TYR A 77 -11.245 -4.577 -32.841 1.00 0.00 ATOM 608 N LEU A 78 -11.590 -4.228 -34.076 1.00 0.00 ATOM 609 CA LEU A 78 -11.950 -5.241 -35.056 1.00 0.00 ATOM 610 CB LEU A 78 -12.479 -4.564 -36.333 1.00 0.00 ATOM 611 CG LEU A 78 -13.853 -3.907 -36.192 1.00 0.00 ATOM 612 CD1 LEU A 78 -14.123 -2.964 -37.359 1.00 0.00 ATOM 613 CD2 LEU A 78 -14.974 -4.944 -36.072 1.00 0.00 ATOM 614 O LEU A 78 -10.993 -7.433 -35.436 1.00 0.00 ATOM 615 C LEU A 78 -10.780 -6.228 -35.299 1.00 0.00 ATOM 616 N LYS A 79 -9.556 -5.715 -35.362 1.00 0.00 ATOM 617 CA LYS A 79 -8.396 -6.575 -35.557 1.00 0.00 ATOM 618 CB LYS A 79 -7.128 -5.732 -35.718 1.00 0.00 ATOM 619 CG LYS A 79 -7.062 -4.953 -37.022 1.00 0.00 ATOM 620 CD LYS A 79 -5.784 -4.137 -37.113 1.00 0.00 ATOM 621 CE LYS A 79 -5.717 -3.357 -38.416 1.00 0.00 ATOM 622 NZ LYS A 79 -4.483 -2.531 -38.507 1.00 0.00 ATOM 623 O LYS A 79 -7.706 -8.634 -34.501 1.00 0.00 ATOM 624 C LYS A 79 -8.205 -7.514 -34.353 1.00 0.00 ATOM 625 N ALA A 80 -8.612 -7.060 -33.170 1.00 0.00 ATOM 626 CA ALA A 80 -8.479 -7.866 -31.958 1.00 0.00 ATOM 627 CB ALA A 80 -8.652 -6.999 -30.720 1.00 0.00 ATOM 628 O ALA A 80 -9.386 -9.884 -31.043 1.00 0.00 ATOM 629 C ALA A 80 -9.514 -8.982 -31.879 1.00 0.00 ATOM 630 N LEU A 81 -10.558 -8.923 -32.705 1.00 0.00 ATOM 631 CA LEU A 81 -11.589 -9.969 -32.652 1.00 0.00 ATOM 632 CB LEU A 81 -12.892 -9.469 -33.279 1.00 0.00 ATOM 633 CG LEU A 81 -13.567 -8.283 -32.588 1.00 0.00 ATOM 634 CD1 LEU A 81 -14.824 -7.868 -33.336 1.00 0.00 ATOM 635 CD2 LEU A 81 -13.958 -8.643 -31.163 1.00 0.00 ATOM 636 O LEU A 81 -11.685 -11.520 -34.493 1.00 0.00 ATOM 637 C LEU A 81 -11.215 -11.252 -33.391 1.00 0.00 ATOM 638 N ALA A 82 -10.298 -12.019 -32.662 1.00 0.00 ATOM 639 CA ALA A 82 -9.805 -13.279 -33.209 1.00 0.00 ATOM 640 CB ALA A 82 -8.285 -13.312 -33.173 1.00 0.00 ATOM 641 O ALA A 82 -10.620 -14.203 -31.140 1.00 0.00 ATOM 642 C ALA A 82 -10.382 -14.401 -32.336 1.00 0.00 ATOM 643 N ARG A 83 -10.632 -15.558 -32.940 1.00 0.00 ATOM 644 CA ARG A 83 -11.183 -16.707 -32.219 1.00 0.00 ATOM 645 CB ARG A 83 -11.173 -17.953 -33.107 1.00 0.00 ATOM 646 CG ARG A 83 -11.827 -19.170 -32.477 1.00 0.00 ATOM 647 CD ARG A 83 -11.771 -20.373 -33.405 1.00 0.00 ATOM 648 NE ARG A 83 -12.481 -21.524 -32.853 1.00 0.00 ATOM 649 CZ ARG A 83 -12.619 -22.687 -33.482 1.00 0.00 ATOM 650 NH1 ARG A 83 -13.283 -23.679 -32.903 1.00 0.00 ATOM 651 NH2 ARG A 83 -12.095 -22.854 -34.690 1.00 0.00 ATOM 652 O ARG A 83 -9.137 -17.061 -31.033 1.00 0.00 ATOM 653 C ARG A 83 -10.360 -16.989 -30.976 1.00 0.00 ATOM 654 N GLY A 84 -11.043 -17.173 -29.850 1.00 0.00 ATOM 655 CA GLY A 84 -10.348 -17.448 -28.603 1.00 0.00 ATOM 656 O GLY A 84 -9.600 -16.381 -26.598 1.00 0.00 ATOM 657 C GLY A 84 -9.971 -16.232 -27.778 1.00 0.00 ATOM 658 N GLY A 85 -10.080 -15.007 -28.370 1.00 0.00 ATOM 659 CA GLY A 85 -9.780 -13.782 -27.643 1.00 0.00 ATOM 660 O GLY A 85 -11.910 -14.065 -26.596 1.00 0.00 ATOM 661 C GLY A 85 -10.806 -13.536 -26.541 1.00 0.00 ATOM 662 N LYS A 86 -10.427 -12.772 -25.519 1.00 0.00 ATOM 663 CA LYS A 86 -11.322 -12.540 -24.376 1.00 0.00 ATOM 664 CB LYS A 86 -10.545 -12.564 -23.059 1.00 0.00 ATOM 665 CG LYS A 86 -9.822 -13.872 -22.787 1.00 0.00 ATOM 666 CD LYS A 86 -10.803 -15.020 -22.620 1.00 0.00 ATOM 667 CE LYS A 86 -10.090 -16.307 -22.238 1.00 0.00 ATOM 668 NZ LYS A 86 -11.023 -17.469 -22.194 1.00 0.00 ATOM 669 O LYS A 86 -11.468 -10.168 -24.538 1.00 0.00 ATOM 670 C LYS A 86 -12.069 -11.229 -24.337 1.00 0.00 ATOM 671 N ARG A 87 -13.342 -11.305 -23.953 1.00 0.00 ATOM 672 CA ARG A 87 -14.154 -10.102 -23.751 1.00 0.00 ATOM 673 CB ARG A 87 -15.586 -10.344 -24.233 1.00 0.00 ATOM 674 CG ARG A 87 -15.714 -10.505 -25.738 1.00 0.00 ATOM 675 CD ARG A 87 -17.160 -10.748 -26.147 1.00 0.00 ATOM 676 NE ARG A 87 -17.302 -10.896 -27.592 1.00 0.00 ATOM 677 CZ ARG A 87 -17.397 -9.878 -28.443 1.00 0.00 ATOM 678 NH1 ARG A 87 -17.525 -10.109 -29.742 1.00 0.00 ATOM 679 NH2 ARG A 87 -17.366 -8.633 -27.991 1.00 0.00 ATOM 680 O ARG A 87 -14.113 -10.848 -21.459 1.00 0.00 ATOM 681 C ARG A 87 -14.090 -9.875 -22.219 1.00 0.00 ATOM 682 N PHE A 88 -14.046 -8.613 -21.782 1.00 0.00 ATOM 683 CA PHE A 88 -13.938 -8.254 -20.368 1.00 0.00 ATOM 684 CB PHE A 88 -12.654 -7.435 -20.094 1.00 0.00 ATOM 685 CG PHE A 88 -11.358 -8.160 -20.274 1.00 0.00 ATOM 686 CD1 PHE A 88 -10.847 -8.396 -21.549 1.00 0.00 ATOM 687 CD2 PHE A 88 -10.640 -8.615 -19.155 1.00 0.00 ATOM 688 CE1 PHE A 88 -9.616 -9.076 -21.706 1.00 0.00 ATOM 689 CE2 PHE A 88 -9.412 -9.292 -19.300 1.00 0.00 ATOM 690 CZ PHE A 88 -8.924 -9.519 -20.569 1.00 0.00 ATOM 691 O PHE A 88 -15.664 -6.598 -20.616 1.00 0.00 ATOM 692 C PHE A 88 -15.054 -7.341 -19.849 1.00 0.00 ATOM 693 N ASP A 89 -15.383 -7.474 -18.561 1.00 0.00 ATOM 694 CA ASP A 89 -16.371 -6.602 -17.945 1.00 0.00 ATOM 695 CB ASP A 89 -17.269 -7.398 -16.997 1.00 0.00 ATOM 696 CG ASP A 89 -16.513 -7.958 -15.809 1.00 0.00 ATOM 697 OD1 ASP A 89 -15.345 -7.561 -15.607 1.00 0.00 ATOM 698 OD2 ASP A 89 -17.088 -8.792 -15.077 1.00 0.00 ATOM 699 O ASP A 89 -14.346 -5.313 -17.555 1.00 0.00 ATOM 700 C ASP A 89 -15.553 -5.479 -17.362 1.00 0.00 ATOM 701 N LEU A 90 -16.162 -4.696 -16.496 1.00 0.00 ATOM 702 CA LEU A 90 -15.526 -3.513 -15.869 1.00 0.00 ATOM 703 CB LEU A 90 -16.517 -2.522 -15.253 1.00 0.00 ATOM 704 CG LEU A 90 -15.924 -1.230 -14.690 1.00 0.00 ATOM 705 CD1 LEU A 90 -15.209 -0.448 -15.782 1.00 0.00 ATOM 706 CD2 LEU A 90 -17.017 -0.346 -14.109 1.00 0.00 ATOM 707 O LEU A 90 -13.706 -3.110 -14.382 1.00 0.00 ATOM 708 C LEU A 90 -14.602 -3.884 -14.719 1.00 0.00 ATOM 709 N ASN A 91 -14.820 -5.048 -14.116 1.00 0.00 ATOM 710 CA ASN A 91 -13.990 -5.496 -13.000 1.00 0.00 ATOM 711 CB ASN A 91 -14.779 -6.163 -11.871 1.00 0.00 ATOM 712 CG ASN A 91 -15.805 -5.231 -11.284 1.00 0.00 ATOM 713 ND2 ASN A 91 -16.961 -5.758 -10.940 1.00 0.00 ATOM 714 OD1 ASN A 91 -15.562 -4.019 -11.158 1.00 0.00 ATOM 715 O ASN A 91 -12.298 -7.189 -12.698 1.00 0.00 ATOM 716 C ASN A 91 -12.857 -6.404 -13.462 1.00 0.00 ATOM 717 N ASN A 92 -12.585 -6.458 -14.707 1.00 0.00 ATOM 718 CA ASN A 92 -11.524 -7.224 -15.324 1.00 0.00 ATOM 719 CB ASN A 92 -10.210 -6.994 -14.574 1.00 0.00 ATOM 720 CG ASN A 92 -9.710 -5.570 -14.729 1.00 0.00 ATOM 721 ND2 ASN A 92 -9.493 -4.891 -13.608 1.00 0.00 ATOM 722 OD1 ASN A 92 -9.523 -5.084 -15.847 1.00 0.00 ATOM 723 O ASN A 92 -10.802 -9.490 -15.624 1.00 0.00 ATOM 724 C ASN A 92 -11.753 -8.727 -15.452 1.00 0.00 ATOM 725 N ARG A 93 -13.018 -9.174 -15.365 1.00 0.00 ATOM 726 CA ARG A 93 -13.320 -10.597 -15.470 1.00 0.00 ATOM 727 CB ARG A 93 -14.625 -10.936 -14.782 1.00 0.00 ATOM 728 CG ARG A 93 -14.459 -11.424 -13.359 1.00 0.00 ATOM 729 CD ARG A 93 -14.133 -10.310 -12.406 1.00 0.00 ATOM 730 NE ARG A 93 -14.207 -10.770 -11.022 1.00 0.00 ATOM 731 CZ ARG A 93 -14.338 -9.960 -9.974 1.00 0.00 ATOM 732 NH1 ARG A 93 -14.405 -8.647 -10.154 1.00 0.00 ATOM 733 NH2 ARG A 93 -14.413 -10.467 -8.747 1.00 0.00 ATOM 734 O ARG A 93 -14.248 -10.222 -17.641 1.00 0.00 ATOM 735 C ARG A 93 -13.588 -10.975 -16.924 1.00 0.00 ATOM 736 N PHE A 94 -13.007 -12.076 -17.395 1.00 0.00 ATOM 737 CA PHE A 94 -13.264 -12.512 -18.765 1.00 0.00 ATOM 738 CB PHE A 94 -12.263 -13.603 -19.171 1.00 0.00 ATOM 739 CG PHE A 94 -10.839 -13.282 -18.773 1.00 0.00 ATOM 740 CD1 PHE A 94 -10.429 -13.441 -17.459 1.00 0.00 ATOM 741 CD2 PHE A 94 -9.956 -12.769 -19.688 1.00 0.00 ATOM 742 CE1 PHE A 94 -9.174 -13.095 -17.026 1.00 0.00 ATOM 743 CE2 PHE A 94 -8.653 -12.396 -19.308 1.00 0.00 ATOM 744 CZ PHE A 94 -8.252 -12.562 -17.969 1.00 0.00 ATOM 745 O PHE A 94 -14.886 -14.162 -18.220 1.00 0.00 ATOM 746 C PHE A 94 -14.635 -13.138 -18.861 1.00 0.00 ATOM 747 N LYS A 95 -15.548 -12.530 -19.623 1.00 0.00 ATOM 748 CA LYS A 95 -16.942 -12.953 -19.611 1.00 0.00 ATOM 749 CB LYS A 95 -17.790 -11.605 -19.254 1.00 0.00 ATOM 750 CG LYS A 95 -19.272 -11.931 -19.092 1.00 0.00 ATOM 751 CD LYS A 95 -20.160 -10.676 -19.148 1.00 0.00 ATOM 752 CE LYS A 95 -20.165 -9.931 -17.844 1.00 0.00 ATOM 753 NZ LYS A 95 -20.937 -8.624 -17.950 1.00 0.00 ATOM 754 O LYS A 95 -18.229 -14.693 -20.646 1.00 0.00 ATOM 755 C LYS A 95 -17.297 -13.907 -20.755 1.00 0.00 ATOM 756 N GLY A 96 -16.565 -13.808 -21.853 1.00 0.00 ATOM 757 CA GLY A 96 -16.788 -14.654 -23.027 1.00 0.00 ATOM 758 O GLY A 96 -14.615 -13.885 -23.661 1.00 0.00 ATOM 759 C GLY A 96 -15.509 -14.713 -23.837 1.00 0.00 ATOM 760 N GLU A 97 -15.454 -15.676 -24.755 1.00 0.00 ATOM 761 CA GLU A 97 -14.337 -15.817 -25.677 1.00 0.00 ATOM 762 CB GLU A 97 -13.649 -17.151 -25.512 1.00 0.00 ATOM 763 CG GLU A 97 -12.983 -17.315 -24.167 1.00 0.00 ATOM 764 CD GLU A 97 -13.824 -18.110 -23.192 1.00 0.00 ATOM 765 OE1 GLU A 97 -15.073 -18.030 -23.263 1.00 0.00 ATOM 766 OE2 GLU A 97 -13.226 -18.807 -22.344 1.00 0.00 ATOM 767 O GLU A 97 -16.011 -16.128 -27.368 1.00 0.00 ATOM 768 C GLU A 97 -14.943 -15.599 -27.074 1.00 0.00 ATOM 769 N VAL A 98 -14.245 -14.836 -27.913 1.00 0.00 ATOM 770 CA VAL A 98 -14.692 -14.541 -29.276 1.00 0.00 ATOM 771 CB VAL A 98 -13.689 -13.635 -30.015 1.00 0.00 ATOM 772 CG1 VAL A 98 -14.102 -13.456 -31.468 1.00 0.00 ATOM 773 CG2 VAL A 98 -13.629 -12.264 -29.361 1.00 0.00 ATOM 774 O VAL A 98 -13.951 -16.688 -30.085 1.00 0.00 ATOM 775 C VAL A 98 -14.844 -15.841 -30.085 1.00 0.00 ATOM 776 N THR A 99 -15.975 -15.988 -30.782 1.00 0.00 ATOM 777 CA THR A 99 -16.231 -17.195 -31.571 1.00 0.00 ATOM 778 CB THR A 99 -17.738 -17.491 -31.681 1.00 0.00 ATOM 779 CG2 THR A 99 -18.359 -17.616 -30.299 1.00 0.00 ATOM 780 OG1 THR A 99 -18.386 -16.424 -32.386 1.00 0.00 ATOM 781 O THR A 99 -15.347 -15.999 -33.477 1.00 0.00 ATOM 782 C THR A 99 -15.721 -17.079 -33.016 1.00 0.00 ATOM 783 N PRO A 100 -15.700 -18.205 -33.720 1.00 0.00 ATOM 784 CA PRO A 100 -15.282 -18.193 -35.114 1.00 0.00 ATOM 785 CB PRO A 100 -15.351 -19.661 -35.534 1.00 0.00 ATOM 786 CG PRO A 100 -15.142 -20.424 -34.268 1.00 0.00 ATOM 787 CD PRO A 100 -15.861 -19.653 -33.196 1.00 0.00 ATOM 788 O PRO A 100 -15.751 -16.509 -36.775 1.00 0.00 ATOM 789 C PRO A 100 -16.204 -17.271 -35.920 1.00 0.00 ATOM 790 N GLU A 101 -17.506 -17.317 -35.604 1.00 0.00 ATOM 791 CA GLU A 101 -18.495 -16.499 -36.294 1.00 0.00 ATOM 792 CB GLU A 101 -19.919 -16.835 -35.845 1.00 0.00 ATOM 793 CG GLU A 101 -20.409 -18.198 -36.304 1.00 0.00 ATOM 794 CD GLU A 101 -21.772 -18.548 -35.739 1.00 0.00 ATOM 795 OE1 GLU A 101 -22.301 -17.757 -34.930 1.00 0.00 ATOM 796 OE2 GLU A 101 -22.310 -19.615 -36.105 1.00 0.00 ATOM 797 O GLU A 101 -18.347 -14.194 -36.960 1.00 0.00 ATOM 798 C GLU A 101 -18.270 -15.004 -36.039 1.00 0.00 ATOM 799 N GLU A 102 -17.955 -14.655 -34.804 1.00 0.00 ATOM 800 CA GLU A 102 -17.709 -13.254 -34.463 1.00 0.00 ATOM 801 CB GLU A 102 -17.602 -13.088 -32.960 1.00 0.00 ATOM 802 CG GLU A 102 -18.947 -13.370 -32.313 1.00 0.00 ATOM 803 CD GLU A 102 -18.875 -13.449 -30.795 1.00 0.00 ATOM 804 OE1 GLU A 102 -17.822 -13.856 -30.251 1.00 0.00 ATOM 805 OE2 GLU A 102 -19.886 -13.116 -30.147 1.00 0.00 ATOM 806 O GLU A 102 -16.373 -11.609 -35.588 1.00 0.00 ATOM 807 C GLU A 102 -16.425 -12.742 -35.124 1.00 0.00 ATOM 808 N GLN A 103 -15.399 -13.586 -35.169 1.00 0.00 ATOM 809 CA GLN A 103 -14.190 -13.245 -35.919 1.00 0.00 ATOM 810 CB GLN A 103 -13.184 -14.392 -35.823 1.00 0.00 ATOM 811 CG GLN A 103 -11.824 -14.080 -36.425 1.00 0.00 ATOM 812 CD GLN A 103 -10.836 -15.216 -36.256 1.00 0.00 ATOM 813 OE1 GLN A 103 -11.177 -16.275 -35.728 1.00 0.00 ATOM 814 NE2 GLN A 103 -9.605 -15.001 -36.706 1.00 0.00 ATOM 815 O GLN A 103 -13.939 -11.934 -37.947 1.00 0.00 ATOM 816 C GLN A 103 -14.472 -12.917 -37.399 1.00 0.00 ATOM 817 N ALA A 104 -15.269 -13.762 -38.058 1.00 0.00 ATOM 818 CA ALA A 104 -15.620 -13.559 -39.480 1.00 0.00 ATOM 819 CB ALA A 104 -16.488 -14.704 -39.979 1.00 0.00 ATOM 820 O ALA A 104 -16.153 -11.482 -40.571 1.00 0.00 ATOM 821 C ALA A 104 -16.397 -12.249 -39.644 1.00 0.00 ATOM 822 N ILE A 105 -17.298 -12.005 -38.712 1.00 0.00 ATOM 823 CA ILE A 105 -18.111 -10.797 -38.722 1.00 0.00 ATOM 824 CB ILE A 105 -19.122 -10.774 -37.561 1.00 0.00 ATOM 825 CG1 ILE A 105 -20.205 -11.832 -37.775 1.00 0.00 ATOM 826 CG2 ILE A 105 -19.790 -9.412 -37.463 1.00 0.00 ATOM 827 CD1 ILE A 105 -21.080 -12.066 -36.562 1.00 0.00 ATOM 828 O ILE A 105 -17.284 -8.600 -39.315 1.00 0.00 ATOM 829 C ILE A 105 -17.181 -9.580 -38.577 1.00 0.00 ATOM 830 N ALA A 106 -16.273 -9.651 -37.614 1.00 0.00 ATOM 831 CA ALA A 106 -15.369 -8.535 -37.344 1.00 0.00 ATOM 832 CB ALA A 106 -14.396 -8.837 -36.223 1.00 0.00 ATOM 833 O ALA A 106 -14.145 -7.037 -38.756 1.00 0.00 ATOM 834 C ALA A 106 -14.437 -8.205 -38.494 1.00 0.00 ATOM 835 N GLN A 107 -13.932 -9.259 -39.184 1.00 0.00 ATOM 836 CA GLN A 107 -13.028 -9.036 -40.293 1.00 0.00 ATOM 837 CB GLN A 107 -12.620 -10.384 -40.841 1.00 0.00 ATOM 838 CG GLN A 107 -11.736 -10.173 -42.084 1.00 0.00 ATOM 839 CD GLN A 107 -11.372 -11.478 -42.749 1.00 0.00 ATOM 840 OE1 GLN A 107 -11.942 -12.557 -42.431 1.00 0.00 ATOM 841 NE2 GLN A 107 -10.440 -11.400 -43.699 1.00 0.00 ATOM 842 O GLN A 107 -13.092 -7.376 -42.055 1.00 0.00 ATOM 843 C GLN A 107 -13.724 -8.235 -41.410 1.00 0.00 ATOM 844 N ASN A 108 -14.987 -8.579 -41.672 1.00 0.00 ATOM 845 CA ASN A 108 -15.760 -7.923 -42.758 1.00 0.00 ATOM 846 CB ASN A 108 -17.063 -8.627 -43.022 1.00 0.00 ATOM 847 CG ASN A 108 -16.858 -9.911 -43.781 1.00 0.00 ATOM 848 ND2 ASN A 108 -17.731 -10.886 -43.545 1.00 0.00 ATOM 849 OD1 ASN A 108 -15.927 -10.031 -44.582 1.00 0.00 ATOM 850 O ASN A 108 -16.197 -5.614 -43.302 1.00 0.00 ATOM 851 C ASN A 108 -16.072 -6.466 -42.412 1.00 0.00 ATOM 852 N HIS A 109 -16.214 -6.208 -41.092 1.00 0.00 ATOM 853 CA HIS A 109 -16.524 -4.870 -40.603 1.00 0.00 ATOM 854 CB HIS A 109 -16.856 -4.955 -39.096 1.00 0.00 ATOM 855 CG HIS A 109 -18.225 -5.516 -38.909 1.00 0.00 ATOM 856 CD2 HIS A 109 -19.062 -6.111 -39.830 1.00 0.00 ATOM 857 ND1 HIS A 109 -18.862 -5.456 -37.675 1.00 0.00 ATOM 858 CE1 HIS A 109 -20.042 -6.037 -37.857 1.00 0.00 ATOM 859 NE2 HIS A 109 -20.200 -6.427 -39.131 1.00 0.00 ATOM 860 O HIS A 109 -15.589 -2.804 -41.358 1.00 0.00 ATOM 861 C HIS A 109 -15.364 -3.923 -40.884 1.00 0.00 ATOM 862 N PRO A 110 -14.050 -4.321 -40.548 1.00 0.00 ATOM 863 CA PRO A 110 -12.894 -3.485 -40.864 1.00 0.00 ATOM 864 CB PRO A 110 -11.695 -4.380 -40.743 1.00 0.00 ATOM 865 CG PRO A 110 -12.078 -5.339 -39.696 1.00 0.00 ATOM 866 CD PRO A 110 -13.557 -5.604 -39.896 1.00 0.00 ATOM 867 O PRO A 110 -12.600 -1.799 -42.554 1.00 0.00 ATOM 868 C PRO A 110 -12.997 -2.931 -42.284 1.00 0.00 ATOM 869 N PHE A 111 -13.529 -3.752 -43.187 1.00 0.00 ATOM 870 CA PHE A 111 -13.693 -3.367 -44.575 1.00 0.00 ATOM 871 CB PHE A 111 -14.297 -4.519 -45.381 1.00 0.00 ATOM 872 CG PHE A 111 -14.518 -4.192 -46.830 1.00 0.00 ATOM 873 CD1 PHE A 111 -13.464 -4.215 -47.729 1.00 0.00 ATOM 874 CD2 PHE A 111 -15.778 -3.863 -47.296 1.00 0.00 ATOM 875 CE1 PHE A 111 -13.669 -3.916 -49.063 1.00 0.00 ATOM 876 CE2 PHE A 111 -15.982 -3.562 -48.631 1.00 0.00 ATOM 877 CZ PHE A 111 -14.934 -3.588 -49.512 1.00 0.00 ATOM 878 O PHE A 111 -14.288 -1.175 -45.364 1.00 0.00 ATOM 879 C PHE A 111 -14.611 -2.149 -44.679 1.00 0.00 ATOM 880 N VAL A 112 -15.717 -2.340 -43.797 1.00 0.00 ATOM 881 CA VAL A 112 -16.614 -1.194 -43.654 1.00 0.00 ATOM 882 CB VAL A 112 -18.029 -1.712 -43.217 1.00 0.00 ATOM 883 CG1 VAL A 112 -18.921 -0.554 -42.870 1.00 0.00 ATOM 884 CG2 VAL A 112 -18.638 -2.559 -44.327 1.00 0.00 ATOM 885 O VAL A 112 -16.392 1.073 -42.921 1.00 0.00 ATOM 886 C VAL A 112 -16.094 -0.094 -42.712 1.00 0.00 ATOM 887 N GLN A 113 -15.305 -0.462 -41.698 1.00 0.00 ATOM 888 CA GLN A 113 -14.762 0.495 -40.752 1.00 0.00 ATOM 889 CB GLN A 113 -14.095 -0.250 -39.567 1.00 0.00 ATOM 890 CG GLN A 113 -15.086 -0.989 -38.675 1.00 0.00 ATOM 891 CD GLN A 113 -16.400 -0.236 -38.494 1.00 0.00 ATOM 892 OE1 GLN A 113 -16.426 0.989 -38.388 1.00 0.00 ATOM 893 NE2 GLN A 113 -17.501 -0.974 -38.470 1.00 0.00 ATOM 894 O GLN A 113 -13.775 2.658 -40.924 1.00 0.00 ATOM 895 C GLN A 113 -13.813 1.514 -41.367 1.00 0.00 ATOM 896 N GLN A 114 -13.019 1.097 -42.349 1.00 0.00 ATOM 897 CA GLN A 114 -12.082 2.023 -42.975 1.00 0.00 ATOM 898 CB GLN A 114 -11.199 1.306 -44.005 1.00 0.00 ATOM 899 CG GLN A 114 -11.912 0.837 -45.260 1.00 0.00 ATOM 900 CD GLN A 114 -10.939 0.369 -46.328 1.00 0.00 ATOM 901 OE1 GLN A 114 -10.012 1.091 -46.693 1.00 0.00 ATOM 902 NE2 GLN A 114 -11.150 -0.837 -46.840 1.00 0.00 ATOM 903 O GLN A 114 -12.379 4.314 -43.638 1.00 0.00 ATOM 904 C GLN A 114 -12.826 3.166 -43.658 1.00 0.00 ATOM 905 N ALA A 115 -14.002 2.871 -44.215 1.00 0.00 ATOM 906 CA ALA A 115 -14.799 3.906 -44.859 1.00 0.00 ATOM 907 CB ALA A 115 -16.015 3.269 -45.517 1.00 0.00 ATOM 908 O ALA A 115 -15.252 6.106 -44.036 1.00 0.00 ATOM 909 C ALA A 115 -15.259 4.895 -43.811 1.00 0.00 ATOM 910 N LEU A 116 -15.698 4.377 -42.667 1.00 0.00 ATOM 911 CA LEU A 116 -16.160 5.247 -41.601 1.00 0.00 ATOM 912 CB LEU A 116 -16.785 4.438 -40.467 1.00 0.00 ATOM 913 CG LEU A 116 -18.153 3.830 -40.799 1.00 0.00 ATOM 914 CD1 LEU A 116 -18.565 2.858 -39.701 1.00 0.00 ATOM 915 CD2 LEU A 116 -19.185 4.950 -40.948 1.00 0.00 ATOM 916 O LEU A 116 -15.206 7.301 -40.786 1.00 0.00 ATOM 917 C LEU A 116 -15.021 6.135 -41.112 1.00 0.00 ATOM 918 N GLN A 117 -13.836 5.565 -41.075 1.00 0.00 ATOM 919 CA GLN A 117 -12.684 6.310 -40.613 1.00 0.00 ATOM 920 CB GLN A 117 -11.451 5.413 -40.486 1.00 0.00 ATOM 921 CG GLN A 117 -10.231 6.116 -39.915 1.00 0.00 ATOM 922 CD GLN A 117 -10.442 6.586 -38.489 1.00 0.00 ATOM 923 OE1 GLN A 117 -10.950 5.845 -37.649 1.00 0.00 ATOM 924 NE2 GLN A 117 -10.051 7.825 -38.212 1.00 0.00 ATOM 925 O GLN A 117 -12.090 8.567 -41.152 1.00 0.00 ATOM 926 C GLN A 117 -12.363 7.451 -41.584 1.00 0.00 ATOM 927 N GLN A 118 -12.408 7.175 -42.855 1.00 0.00 ATOM 928 CA GLN A 118 -12.109 8.208 -43.853 1.00 0.00 ATOM 929 CB GLN A 118 -12.027 7.561 -45.241 1.00 0.00 ATOM 930 CG GLN A 118 -10.731 6.732 -45.396 1.00 0.00 ATOM 931 CD GLN A 118 -10.742 5.694 -46.519 1.00 0.00 ATOM 932 OE1 GLN A 118 -9.750 4.988 -46.722 1.00 0.00 ATOM 933 NE2 GLN A 118 -11.839 5.583 -47.238 1.00 0.00 ATOM 934 O GLN A 118 -12.833 10.482 -43.796 1.00 0.00 ATOM 935 C GLN A 118 -13.184 9.298 -43.824 1.00 0.00 ATOM 936 N GLN A 119 -14.437 8.894 -43.683 1.00 0.00 ATOM 937 CA GLN A 119 -15.489 9.922 -43.585 1.00 0.00 ATOM 938 CB GLN A 119 -16.857 9.297 -43.736 1.00 0.00 ATOM 939 CG GLN A 119 -17.057 8.598 -45.081 1.00 0.00 ATOM 940 CD GLN A 119 -18.430 7.979 -45.240 1.00 0.00 ATOM 941 OE1 GLN A 119 -19.023 7.485 -44.277 1.00 0.00 ATOM 942 NE2 GLN A 119 -18.935 7.978 -46.467 1.00 0.00 ATOM 943 O GLN A 119 -15.547 11.923 -42.263 1.00 0.00 ATOM 944 C GLN A 119 -15.388 10.699 -42.278 1.00 0.00 ATOM 945 N SER A 120 -15.113 10.004 -41.203 1.00 0.00 ATOM 946 CA SER A 120 -14.995 10.679 -39.921 1.00 0.00 ATOM 947 CB SER A 120 -14.870 9.684 -38.773 1.00 0.00 ATOM 948 OG SER A 120 -13.677 8.941 -38.862 1.00 0.00 ATOM 949 O SER A 120 -13.787 12.642 -39.244 1.00 0.00 ATOM 950 C SER A 120 -13.770 11.589 -39.886 1.00 0.00 ATOM 951 N ALA A 121 -12.686 11.183 -40.586 1.00 0.00 ATOM 952 CA ALA A 121 -11.483 11.997 -40.609 1.00 0.00 ATOM 953 CB ALA A 121 -10.427 11.198 -41.384 1.00 0.00 ATOM 954 O ALA A 121 -11.319 14.385 -40.779 1.00 0.00 ATOM 955 C ALA A 121 -11.736 13.349 -41.283 1.00 0.00 ATOM 956 N GLN A 122 -12.465 13.329 -42.396 1.00 0.00 ATOM 957 CA GLN A 122 -12.777 14.540 -43.143 1.00 0.00 ATOM 958 CB GLN A 122 -13.319 14.154 -44.545 1.00 0.00 ATOM 959 CG GLN A 122 -12.308 13.359 -45.372 1.00 0.00 ATOM 960 CD GLN A 122 -12.820 12.986 -46.750 1.00 0.00 ATOM 961 OE1 GLN A 122 -14.007 12.718 -46.937 1.00 0.00 ATOM 962 NE2 GLN A 122 -11.914 12.942 -47.718 1.00 0.00 ATOM 963 O GLN A 122 -13.607 16.643 -42.330 1.00 0.00 ATOM 964 C GLN A 122 -13.744 15.418 -42.350 1.00 0.00 ATOM 965 N ALA A 123 -14.705 14.786 -41.688 1.00 0.00 ATOM 966 CA ALA A 123 -15.670 15.524 -40.881 1.00 0.00 ATOM 967 CB ALA A 123 -16.785 14.565 -40.420 1.00 0.00 ATOM 968 O ALA A 123 -15.181 17.354 -39.399 1.00 0.00 ATOM 969 C ALA A 123 -14.903 16.200 -39.743 1.00 0.00 ATOM 970 N ALA A 124 -13.921 15.487 -39.185 1.00 0.00 ATOM 971 CA ALA A 124 -13.112 16.011 -38.089 1.00 0.00 ATOM 972 CB ALA A 124 -12.177 14.898 -37.584 1.00 0.00 ATOM 973 O ALA A 124 -12.247 18.227 -37.805 1.00 0.00 ATOM 974 C ALA A 124 -12.294 17.222 -38.519 1.00 0.00 ATOM 975 N ALA A 125 -11.682 17.143 -39.684 1.00 0.00 ATOM 976 CA ALA A 125 -10.914 18.267 -40.209 1.00 0.00 ATOM 977 CB ALA A 125 -10.165 17.839 -41.473 1.00 0.00 ATOM 978 O ALA A 125 -11.507 20.595 -40.067 1.00 0.00 ATOM 979 C ALA A 125 -11.846 19.459 -40.415 1.00 0.00 ATOM 980 N GLU A 126 -13.031 19.186 -40.950 1.00 0.00 ATOM 981 CA GLU A 126 -14.000 20.250 -41.168 1.00 0.00 ATOM 982 CB GLU A 126 -15.195 19.718 -41.965 1.00 0.00 ATOM 983 CG GLU A 126 -14.827 19.238 -43.367 1.00 0.00 ATOM 984 CD GLU A 126 -16.021 18.726 -44.152 1.00 0.00 ATOM 985 OE1 GLU A 126 -16.899 18.066 -43.550 1.00 0.00 ATOM 986 OE2 GLU A 126 -16.069 18.965 -45.377 1.00 0.00 ATOM 987 O GLU A 126 -14.637 22.055 -39.669 1.00 0.00 ATOM 988 C GLU A 126 -14.497 20.841 -39.834 1.00 0.00 ATOM 989 N THR A 127 -14.744 19.986 -38.840 1.00 0.00 ATOM 990 CA THR A 127 -15.167 20.415 -37.527 1.00 0.00 ATOM 991 CB THR A 127 -15.465 19.185 -36.648 1.00 0.00 ATOM 992 CG2 THR A 127 -15.923 19.619 -35.262 1.00 0.00 ATOM 993 OG1 THR A 127 -16.502 18.403 -37.253 1.00 0.00 ATOM 994 O THR A 127 -14.353 22.285 -36.213 1.00 0.00 ATOM 995 C THR A 127 -14.067 21.256 -36.832 1.00 0.00 ATOM 996 N LEU A 128 -12.809 20.820 -36.965 1.00 0.00 ATOM 997 CA LEU A 128 -11.696 21.573 -36.378 1.00 0.00 ATOM 998 CB LEU A 128 -10.416 20.840 -36.530 1.00 0.00 ATOM 999 CG LEU A 128 -9.148 21.490 -36.014 1.00 0.00 ATOM 1000 CD1 LEU A 128 -9.244 21.854 -34.506 1.00 0.00 ATOM 1001 CD2 LEU A 128 -7.947 20.615 -36.232 1.00 0.00 ATOM 1002 O LEU A 128 -11.458 23.976 -36.318 1.00 0.00 ATOM 1003 C LEU A 128 -11.582 22.965 -37.014 1.00 0.00 ATOM 1004 N SER A 129 -11.656 23.022 -38.344 1.00 0.00 ATOM 1005 CA SER A 129 -11.570 24.281 -39.061 1.00 0.00 ATOM 1006 CB SER A 129 -11.600 24.038 -40.570 1.00 0.00 ATOM 1007 OG SER A 129 -10.443 23.342 -40.998 1.00 0.00 ATOM 1008 O SER A 129 -12.580 26.367 -38.450 1.00 0.00 ATOM 1009 C SER A 129 -12.748 25.184 -38.660 1.00 0.00 ATOM 1010 N VAL A 130 -13.933 24.590 -38.597 1.00 0.00 ATOM 1011 CA VAL A 130 -15.144 25.368 -38.255 1.00 0.00 ATOM 1012 CB VAL A 130 -16.405 24.487 -38.325 1.00 0.00 ATOM 1013 CG1 VAL A 130 -17.610 25.236 -37.778 1.00 0.00 ATOM 1014 CG2 VAL A 130 -16.698 24.090 -39.764 1.00 0.00 ATOM 1015 O VAL A 130 -15.287 27.104 -36.600 1.00 0.00 ATOM 1016 C VAL A 130 -14.989 25.952 -36.852 1.00 0.00 ATOM 1017 N GLU A 131 -14.524 25.103 -35.922 1.00 0.00 ATOM 1018 CA GLU A 131 -14.336 25.560 -34.537 1.00 0.00 ATOM 1019 CB GLU A 131 -13.847 24.379 -33.683 1.00 0.00 ATOM 1020 CG GLU A 131 -13.632 24.739 -32.235 1.00 0.00 ATOM 1021 CD GLU A 131 -14.859 25.371 -31.601 1.00 0.00 ATOM 1022 OE1 GLU A 131 -16.013 25.131 -32.070 1.00 0.00 ATOM 1023 OE2 GLU A 131 -14.656 26.114 -30.613 1.00 0.00 ATOM 1024 O GLU A 131 -13.453 27.612 -33.656 1.00 0.00 ATOM 1025 C GLU A 131 -13.293 26.675 -34.441 1.00 0.00 ATOM 1026 N ALA A 132 -12.248 26.585 -35.252 1.00 0.00 ATOM 1027 CA ALA A 132 -11.212 27.615 -35.241 1.00 0.00 ATOM 1028 CB ALA A 132 -10.092 27.210 -36.195 1.00 0.00 ATOM 1029 O ALA A 132 -11.589 29.984 -35.149 1.00 0.00 ATOM 1030 C ALA A 132 -11.820 28.924 -35.730 1.00 0.00 ATOM 1031 N GLU A 133 -12.585 28.859 -36.818 1.00 0.00 ATOM 1032 CA GLU A 133 -13.214 30.055 -37.369 1.00 0.00 ATOM 1033 CB GLU A 133 -13.824 29.739 -38.737 1.00 0.00 ATOM 1034 CG GLU A 133 -12.811 29.176 -39.719 1.00 0.00 ATOM 1035 CD GLU A 133 -13.420 28.797 -41.051 1.00 0.00 ATOM 1036 OE1 GLU A 133 -14.548 28.267 -41.067 1.00 0.00 ATOM 1037 OE2 GLU A 133 -12.755 29.015 -42.084 1.00 0.00 ATOM 1038 O GLU A 133 -14.418 31.841 -36.311 1.00 0.00 ATOM 1039 C GLU A 133 -14.264 30.625 -36.420 1.00 0.00 ATOM 1040 N ALA A 134 -14.986 29.741 -35.728 1.00 0.00 ATOM 1041 CA ALA A 134 -16.012 30.165 -34.785 1.00 0.00 ATOM 1042 CB ALA A 134 -16.809 28.966 -34.270 1.00 0.00 ATOM 1043 O ALA A 134 -15.835 31.962 -33.203 1.00 0.00 ATOM 1044 C ALA A 134 -15.352 30.912 -33.625 1.00 0.00 ATOM 1045 N ALA A 135 -14.197 30.417 -33.158 1.00 0.00 ATOM 1046 CA ALA A 135 -13.482 31.056 -32.054 1.00 0.00 ATOM 1047 CB ALA A 135 -12.290 30.188 -31.678 1.00 0.00 ATOM 1048 O ALA A 135 -13.178 33.416 -31.762 1.00 0.00 ATOM 1049 C ALA A 135 -12.998 32.435 -32.485 1.00 0.00 ATOM 1050 N GLU A 136 -12.430 32.528 -33.691 1.00 0.00 ATOM 1051 CA GLU A 136 -11.954 33.815 -34.193 1.00 0.00 ATOM 1052 CB GLU A 136 -11.196 33.578 -35.504 1.00 0.00 ATOM 1053 CG GLU A 136 -10.684 34.840 -36.194 1.00 0.00 ATOM 1054 CD GLU A 136 -9.860 35.725 -35.279 1.00 0.00 ATOM 1055 OE1 GLU A 136 -9.140 35.184 -34.412 1.00 0.00 ATOM 1056 OE2 GLU A 136 -9.919 36.965 -35.436 1.00 0.00 ATOM 1057 O GLU A 136 -12.942 36.010 -34.159 1.00 0.00 ATOM 1058 C GLU A 136 -13.083 34.814 -34.437 1.00 0.00 ATOM 1059 N SER A 137 -14.200 34.310 -34.962 1.00 0.00 ATOM 1060 CA SER A 137 -15.355 35.157 -35.250 1.00 0.00 ATOM 1061 CB SER A 137 -16.485 34.350 -35.896 1.00 0.00 ATOM 1062 OG SER A 137 -17.522 35.211 -36.311 1.00 0.00 ATOM 1063 O SER A 137 -16.122 36.984 -33.885 1.00 0.00 ATOM 1064 C SER A 137 -15.914 35.761 -33.964 1.00 0.00 ATOM 1065 N SER A 138 -16.105 34.925 -32.961 1.00 0.00 ATOM 1066 CA SER A 138 -16.647 35.398 -31.674 1.00 0.00 ATOM 1067 CB SER A 138 -17.127 34.245 -30.772 1.00 0.00 ATOM 1068 OG SER A 138 -16.048 33.548 -30.196 1.00 0.00 ATOM 1069 O SER A 138 -15.964 37.376 -30.505 1.00 0.00 ATOM 1070 C SER A 138 -15.620 36.305 -31.000 1.00 0.00 ATOM 1071 N ALA A 139 -14.342 35.896 -30.999 1.00 0.00 ATOM 1072 CA ALA A 139 -13.271 36.684 -30.386 1.00 0.00 ATOM 1073 CB ALA A 139 -11.968 35.938 -30.400 1.00 0.00 ATOM 1074 O ALA A 139 -12.925 39.025 -30.433 1.00 0.00 ATOM 1075 C ALA A 139 -13.090 38.017 -31.087 1.00 0.00 ATOM 1076 N ALA A 140 -13.144 38.027 -32.407 1.00 0.00 ATOM 1077 CA ALA A 140 -13.035 39.274 -33.190 1.00 0.00 ATOM 1078 CB ALA A 140 -12.653 38.956 -34.614 1.00 0.00 ATOM 1079 O ALA A 140 -14.389 41.232 -33.637 1.00 0.00 ATOM 1080 C ALA A 140 -14.355 40.075 -33.184 1.00 0.00 ATOM 1081 N GLU A 141 -15.427 39.469 -32.700 1.00 0.00 ATOM 1082 CA GLU A 141 -16.765 40.113 -32.658 1.00 0.00 ATOM 1083 CB GLU A 141 -16.785 41.323 -31.708 1.00 0.00 ATOM 1084 CG GLU A 141 -16.438 40.965 -30.287 1.00 0.00 ATOM 1085 CD GLU A 141 -16.313 42.221 -29.441 1.00 0.00 ATOM 1086 OE1 GLU A 141 -17.264 42.577 -28.749 1.00 0.00 ATOM 1087 OE2 GLU A 141 -15.303 42.936 -29.548 1.00 0.00 ATOM 1088 O GLU A 141 -17.823 41.632 -34.222 1.00 0.00 ATOM 1089 C GLU A 141 -17.280 40.513 -34.037 1.00 0.00 ENDMDL EXPDTA 2hxjA MODEL 2 REMARK 44 REMARK 44 model 2 is called 2hxjA ATOM 1 N GLN 3 -10.978 28.457 -3.275 1.00 0.00 ATOM 2 CA GLN 3 -11.429 27.773 -4.505 1.00 0.00 ATOM 3 CB GLN 3 -10.219 27.145 -5.239 1.00 0.00 ATOM 4 CG GLN 3 -9.349 26.142 -4.432 1.00 0.00 ATOM 5 CD GLN 3 -8.076 25.768 -5.198 1.00 0.00 ATOM 6 OE1 GLN 3 -6.949 26.004 -4.720 1.00 0.00 ATOM 7 NE2 GLN 3 -8.247 25.221 -6.406 1.00 0.00 ATOM 8 O GLN 3 -13.576 27.013 -3.642 1.00 0.00 ATOM 9 C GLN 3 -12.613 26.779 -4.378 1.00 0.00 ATOM 10 N GLU 4 -12.455 25.669 -5.099 1.00 0.00 ATOM 11 CA GLU 4 -13.380 24.563 -5.323 1.00 0.00 ATOM 12 CB GLU 4 -12.779 23.787 -6.489 1.00 0.00 ATOM 13 CG GLU 4 -13.668 22.767 -7.120 1.00 0.00 ATOM 14 CD GLU 4 -14.269 23.228 -8.427 1.00 0.00 ATOM 15 OE1 GLU 4 -15.071 24.195 -8.441 1.00 0.00 ATOM 16 OE2 GLU 4 -13.969 22.571 -9.457 1.00 0.00 ATOM 17 O GLU 4 -13.074 22.846 -3.670 1.00 0.00 ATOM 18 C GLU 4 -13.875 23.556 -4.251 1.00 0.00 ATOM 19 N THR 5 -15.199 23.379 -4.166 1.00 0.00 ATOM 20 CA THR 5 -15.851 22.434 -3.251 1.00 0.00 ATOM 21 CB THR 5 -17.254 22.940 -2.855 1.00 0.00 ATOM 22 CG2 THR 5 -17.907 22.097 -1.674 1.00 0.00 ATOM 23 OG1 THR 5 -17.161 24.307 -2.500 1.00 0.00 ATOM 24 O THR 5 -16.247 21.339 -5.322 1.00 0.00 ATOM 25 C THR 5 -16.165 21.233 -4.104 1.00 0.00 ATOM 26 N ALA 6 -16.470 20.127 -3.442 1.00 0.00 ATOM 27 CA ALA 6 -16.907 18.905 -4.089 1.00 0.00 ATOM 28 CB ALA 6 -17.040 17.792 -3.055 1.00 0.00 ATOM 29 O ALA 6 -18.473 18.862 -5.925 1.00 0.00 ATOM 30 C ALA 6 -18.288 19.211 -4.779 1.00 0.00 ATOM 31 N LEU 7 -19.183 19.947 -4.109 1.00 0.00 ATOM 32 CA LEU 7 -20.470 20.327 -4.665 1.00 0.00 ATOM 33 CB LEU 7 -21.345 21.015 -3.610 1.00 0.00 ATOM 34 CG LEU 7 -22.886 21.131 -3.684 1.00 0.00 ATOM 35 CD1 LEU 7 -23.246 22.550 -3.947 1.00 0.00 ATOM 36 CD2 LEU 7 -23.563 20.223 -4.726 1.00 0.00 ATOM 37 O LEU 7 -20.999 21.113 -6.867 1.00 0.00 ATOM 38 C LEU 7 -20.300 21.255 -5.852 1.00 0.00 ATOM 39 N GLY 8 -19.345 22.182 -5.738 1.00 0.00 ATOM 40 CA GLY 8 -19.093 23.160 -6.800 1.00 0.00 ATOM 41 O GLY 8 -19.112 22.835 -9.188 1.00 0.00 ATOM 42 C GLY 8 -18.616 22.504 -8.091 1.00 0.00 ATOM 43 N ALA 9 -17.758 21.488 -7.939 1.00 0.00 ATOM 44 CA ALA 9 -17.189 20.778 -9.068 1.00 0.00 ATOM 45 CB ALA 9 -15.998 19.961 -8.645 1.00 0.00 ATOM 46 O ALA 9 -18.272 19.792 -10.964 1.00 0.00 ATOM 47 C ALA 9 -18.236 19.902 -9.738 1.00 0.00 ATOM 48 N ALA 10 -19.114 19.334 -8.917 1.00 0.00 ATOM 49 CA ALA 10 -20.183 18.483 -9.407 1.00 0.00 ATOM 50 CB ALA 10 -20.723 17.606 -8.289 1.00 0.00 ATOM 51 O ALA 10 -21.826 18.822 -11.145 1.00 0.00 ATOM 52 C ALA 10 -21.314 19.289 -10.129 1.00 0.00 ATOM 53 N LEU 11 -21.572 20.535 -9.701 1.00 0.00 ATOM 54 CA LEU 11 -22.560 21.396 -10.342 1.00 0.00 ATOM 55 CB LEU 11 -22.839 22.611 -9.499 1.00 0.00 ATOM 56 CG LEU 11 -23.870 23.728 -9.846 1.00 0.00 ATOM 57 CD1 LEU 11 -23.285 24.774 -10.831 1.00 0.00 ATOM 58 CD2 LEU 11 -25.179 23.153 -10.329 1.00 0.00 ATOM 59 O LEU 11 -22.709 21.629 -12.757 1.00 0.00 ATOM 60 C LEU 11 -22.019 21.766 -11.733 1.00 0.00 ATOM 61 N LYS 12 -20.746 22.124 -11.772 1.00 0.00 ATOM 62 CA LYS 12 -20.049 22.409 -13.001 1.00 0.00 ATOM 63 CB LYS 12 -18.601 22.646 -12.736 1.00 0.00 ATOM 64 CG LYS 12 -18.194 23.983 -13.230 1.00 0.00 ATOM 65 CD LYS 12 -17.111 24.587 -12.368 1.00 0.00 ATOM 66 CE LYS 12 -17.728 25.398 -11.219 1.00 0.00 ATOM 67 NZ LYS 12 -16.592 25.918 -10.397 1.00 0.00 ATOM 68 O LYS 12 -20.624 21.456 -15.104 1.00 0.00 ATOM 69 C LYS 12 -20.152 21.265 -14.002 1.00 0.00 ATOM 70 N SER 13 -19.807 20.067 -13.552 1.00 0.00 ATOM 71 CA SER 13 -19.924 18.868 -14.358 1.00 0.00 ATOM 72 CB SER 13 -19.452 17.666 -13.571 1.00 0.00 ATOM 73 OG SER 13 -18.041 17.771 -13.600 1.00 0.00 ATOM 74 O SER 13 -21.471 18.240 -16.063 1.00 0.00 ATOM 75 C SER 13 -21.324 18.577 -14.895 1.00 0.00 ATOM 76 N ALA 14 -22.324 18.778 -14.031 1.00 0.00 ATOM 77 CA ALA 14 -23.739 18.554 -14.334 1.00 0.00 ATOM 78 CB ALA 14 -24.598 18.730 -13.086 1.00 0.00 ATOM 79 O ALA 14 -24.782 19.102 -16.404 1.00 0.00 ATOM 80 C ALA 14 -24.180 19.531 -15.416 1.00 0.00 ATOM 81 N VAL 15 -23.781 20.805 -15.286 1.00 0.00 ATOM 82 CA VAL 15 -24.127 21.837 -16.258 1.00 0.00 ATOM 83 CB VAL 15 -23.580 23.219 -15.841 1.00 0.00 ATOM 84 CG1 VAL 15 -23.543 24.223 -17.044 1.00 0.00 ATOM 85 CG2 VAL 15 -24.384 23.758 -14.637 1.00 0.00 ATOM 86 O VAL 15 -24.201 21.537 -18.620 1.00 0.00 ATOM 87 C VAL 15 -23.529 21.446 -17.620 1.00 0.00 ATOM 88 N GLN 16 -22.264 21.056 -17.642 1.00 0.00 ATOM 89 CA GLN 16 -21.590 20.660 -18.857 1.00 0.00 ATOM 90 CB GLN 16 -20.136 20.379 -18.590 1.00 0.00 ATOM 91 CG GLN 16 -19.305 21.606 -18.482 1.00 0.00 ATOM 92 CD GLN 16 -17.921 21.292 -17.976 1.00 0.00 ATOM 93 OE1 GLN 16 -17.742 20.423 -17.105 1.00 0.00 ATOM 94 NE2 GLN 16 -16.914 21.966 -18.553 1.00 0.00 ATOM 95 O GLN 16 -22.101 19.325 -20.756 1.00 0.00 ATOM 96 C GLN 16 -22.197 19.428 -19.546 1.00 0.00 ATOM 97 N THR 17 -22.819 18.517 -18.796 1.00 0.00 ATOM 98 CA THR 17 -23.422 17.359 -19.426 1.00 0.00 ATOM 99 CB THR 17 -23.812 16.229 -18.427 1.00 0.00 ATOM 100 CG2 THR 17 -22.665 15.846 -17.503 1.00 0.00 ATOM 101 OG1 THR 17 -24.902 16.669 -17.652 1.00 0.00 ATOM 102 O THR 17 -25.252 16.833 -20.858 1.00 0.00 ATOM 103 C THR 17 -24.682 17.712 -20.232 1.00 0.00 ATOM 104 N MET 18 -25.117 18.976 -20.223 1.00 0.00 ATOM 105 CA MET 18 -26.320 19.379 -20.959 1.00 0.00 ATOM 106 CB MET 18 -26.895 20.717 -20.481 1.00 0.00 ATOM 107 CG MET 18 -27.275 20.749 -19.044 1.00 0.00 ATOM 108 SD MET 18 -28.826 19.737 -18.572 1.00 0.00 ATOM 109 CE MET 18 -28.095 18.102 -17.784 1.00 0.00 ATOM 110 O MET 18 -26.925 19.240 -23.238 1.00 0.00 ATOM 111 C MET 18 -26.042 19.408 -22.435 1.00 0.00 ATOM 112 N SER 19 -24.795 19.663 -22.779 1.00 0.00 ATOM 113 CA SER 19 -24.398 19.629 -24.166 1.00 0.00 ATOM 114 CB SER 19 -23.140 20.456 -24.374 1.00 0.00 ATOM 115 OG SER 19 -22.522 20.107 -25.607 1.00 0.00 ATOM 116 O SER 19 -23.240 17.531 -23.885 1.00 0.00 ATOM 117 C SER 19 -24.111 18.144 -24.507 1.00 0.00 ATOM 118 N LYS 20 -24.797 17.598 -25.514 1.00 0.00 ATOM 119 CA LYS 20 -24.573 16.207 -25.894 1.00 0.00 ATOM 120 CB LYS 20 -25.799 15.601 -26.615 1.00 0.00 ATOM 121 CG LYS 20 -25.843 15.654 -28.125 1.00 0.00 ATOM 122 CD LYS 20 -27.122 14.902 -28.628 1.00 0.00 ATOM 123 CE LYS 20 -27.175 14.817 -30.208 1.00 0.00 ATOM 124 NZ LYS 20 -28.459 14.257 -30.823 1.00 0.00 ATOM 125 O LYS 20 -22.570 14.874 -26.233 1.00 0.00 ATOM 126 C LYS 20 -23.157 15.912 -26.516 1.00 0.00 ATOM 127 N LYS 21 -22.551 16.912 -27.162 1.00 0.00 ATOM 128 CA LYS 21 -21.217 16.790 -27.725 1.00 0.00 ATOM 129 CB LYS 21 -20.854 17.978 -28.662 1.00 0.00 ATOM 130 CG LYS 21 -21.566 17.872 -30.031 1.00 0.00 ATOM 131 CD LYS 21 -21.390 19.101 -30.977 1.00 0.00 ATOM 132 CE LYS 21 -22.219 18.944 -32.293 1.00 0.00 ATOM 133 NZ LYS 21 -22.347 20.280 -32.984 1.00 0.00 ATOM 134 O LYS 21 -19.257 15.998 -26.620 1.00 0.00 ATOM 135 C LYS 21 -20.219 16.757 -26.585 1.00 0.00 ATOM 136 N LYS 22 -20.473 17.577 -25.568 1.00 0.00 ATOM 137 CA LYS 22 -19.591 17.634 -24.413 1.00 0.00 ATOM 138 CB LYS 22 -19.774 18.953 -23.635 1.00 0.00 ATOM 139 CG LYS 22 -18.820 19.182 -22.472 1.00 0.00 ATOM 140 CD LYS 22 -17.459 19.678 -22.941 1.00 0.00 ATOM 141 CE LYS 22 -16.314 18.880 -22.321 1.00 0.00 ATOM 142 NZ LYS 22 -15.439 19.653 -21.372 1.00 0.00 ATOM 143 O LYS 22 -18.835 15.832 -23.027 1.00 0.00 ATOM 144 C LYS 22 -19.809 16.392 -23.505 1.00 0.00 ATOM 145 N GLN 23 -21.062 15.933 -23.381 1.00 0.00 ATOM 146 CA GLN 23 -21.369 14.754 -22.593 1.00 0.00 ATOM 147 CB GLN 23 -22.869 14.509 -22.427 1.00 0.00 ATOM 148 CG GLN 23 -23.037 13.419 -21.352 1.00 0.00 ATOM 149 CD GLN 23 -24.429 13.093 -20.931 1.00 0.00 ATOM 150 OE1 GLN 23 -24.655 11.996 -20.426 1.00 0.00 ATOM 151 NE2 GLN 23 -25.377 14.058 -21.079 1.00 0.00 ATOM 152 O GLN 23 -20.127 12.686 -22.406 1.00 0.00 ATOM 153 C GLN 23 -20.686 13.465 -23.157 1.00 0.00 ATOM 154 N THR 24 -20.641 13.369 -24.493 1.00 0.00 ATOM 155 CA THR 24 -20.044 12.250 -25.246 1.00 0.00 ATOM 156 CB THR 24 -20.393 12.394 -26.749 1.00 0.00 ATOM 157 CG2 THR 24 -19.752 11.334 -27.587 1.00 0.00 ATOM 158 OG1 THR 24 -21.817 12.308 -26.897 1.00 0.00 ATOM 159 O THR 24 -18.027 11.144 -24.684 1.00 0.00 ATOM 160 C THR 24 -18.532 12.198 -24.999 1.00 0.00 ATOM 161 N GLU 25 -17.852 13.347 -25.100 1.00 0.00 ATOM 162 CA GLU 25 -16.424 13.414 -24.837 1.00 0.00 ATOM 163 CB GLU 25 -15.869 14.796 -25.091 1.00 0.00 ATOM 164 CG GLU 25 -15.835 15.231 -26.548 1.00 0.00 ATOM 165 CD GLU 25 -15.402 16.710 -26.710 1.00 0.00 ATOM 166 OE1 GLU 25 -15.756 17.538 -25.824 1.00 0.00 ATOM 167 OE2 GLU 25 -14.716 17.045 -27.736 1.00 0.00 ATOM 168 O GLU 25 -15.130 12.384 -23.102 1.00 0.00 ATOM 169 C GLU 25 -16.112 13.061 -23.381 1.00 0.00 ATOM 170 N MET 26 -16.962 13.498 -22.460 1.00 0.00 ATOM 171 CA MET 26 -16.747 13.210 -21.044 1.00 0.00 ATOM 172 CB MET 26 -17.740 13.969 -20.123 1.00 0.00 ATOM 173 CG MET 26 -17.517 15.436 -19.984 1.00 0.00 ATOM 174 SD MET 26 -19.053 16.495 -19.272 1.00 0.00 ATOM 175 CE MET 26 -17.684 17.818 -18.995 1.00 0.00 ATOM 176 O MET 26 -16.126 11.175 -19.965 1.00 0.00 ATOM 177 C MET 26 -16.899 11.705 -20.764 1.00 0.00 ATOM 178 N ILE 27 -17.884 11.057 -21.416 1.00 0.00 ATOM 179 CA ILE 27 -18.136 9.629 -21.255 1.00 0.00 ATOM 180 CB ILE 27 -19.400 9.151 -22.001 1.00 0.00 ATOM 181 CG1 ILE 27 -20.596 9.811 -21.325 1.00 0.00 ATOM 182 CG2 ILE 27 -19.564 7.581 -21.929 1.00 0.00 ATOM 183 CD1 ILE 27 -21.888 9.684 -22.015 1.00 0.00 ATOM 184 O ILE 27 -16.490 7.944 -20.911 1.00 0.00 ATOM 185 C ILE 27 -16.950 8.796 -21.676 1.00 0.00 ATOM 186 N ALA 28 -16.399 9.184 -22.820 1.00 0.00 ATOM 187 CA ALA 28 -15.278 8.542 -23.462 1.00 0.00 ATOM 188 CB ALA 28 -15.009 9.170 -24.846 1.00 0.00 ATOM 189 O ALA 28 -13.491 7.618 -22.241 1.00 0.00 ATOM 190 C ALA 28 -14.053 8.648 -22.604 1.00 0.00 ATOM 191 N ASP 29 -13.686 9.885 -22.235 1.00 0.00 ATOM 192 CA ASP 29 -12.520 10.144 -21.361 1.00 0.00 ATOM 193 CB ASP 29 -12.348 11.650 -21.042 1.00 0.00 ATOM 194 CG ASP 29 -11.983 12.530 -22.270 1.00 0.00 ATOM 195 OD1 ASP 29 -11.487 12.086 -23.356 1.00 0.00 ATOM 196 OD2 ASP 29 -12.208 13.739 -22.102 1.00 0.00 ATOM 197 O ASP 29 -11.806 8.684 -19.588 1.00 0.00 ATOM 198 C ASP 29 -12.708 9.363 -20.032 1.00 0.00 ATOM 199 N HIS 30 -13.911 9.375 -19.474 1.00 0.00 ATOM 200 CA HIS 30 -14.161 8.621 -18.272 1.00 0.00 ATOM 201 CB HIS 30 -15.600 8.870 -17.756 1.00 0.00 ATOM 202 CG HIS 30 -15.944 8.123 -16.497 1.00 0.00 ATOM 203 CD2 HIS 30 -16.363 6.846 -16.286 1.00 0.00 ATOM 204 ND1 HIS 30 -15.781 8.671 -15.241 1.00 0.00 ATOM 205 CE1 HIS 30 -16.061 7.757 -14.323 1.00 0.00 ATOM 206 NE2 HIS 30 -16.412 6.647 -14.934 1.00 0.00 ATOM 207 O HIS 30 -13.141 6.501 -17.764 1.00 0.00 ATOM 208 C HIS 30 -13.912 7.114 -18.502 1.00 0.00 ATOM 209 N ILE 31 -14.459 6.550 -19.583 1.00 0.00 ATOM 210 CA ILE 31 -14.346 5.096 -19.865 1.00 0.00 ATOM 211 CB ILE 31 -15.379 4.673 -20.934 1.00 0.00 ATOM 212 CG1 ILE 31 -16.666 4.318 -20.257 1.00 0.00 ATOM 213 CG2 ILE 31 -14.859 3.673 -21.909 1.00 0.00 ATOM 214 CD1 ILE 31 -17.865 4.533 -21.192 1.00 0.00 ATOM 215 O ILE 31 -12.415 3.705 -19.624 1.00 0.00 ATOM 216 C ILE 31 -12.923 4.664 -20.192 1.00 0.00 ATOM 217 N TYR 32 -12.278 5.413 -21.061 1.00 0.00 ATOM 218 CA TYR 32 -10.941 5.082 -21.411 1.00 0.00 ATOM 219 CB TYR 32 -10.519 5.835 -22.663 1.00 0.00 ATOM 220 CG TYR 32 -11.123 5.253 -23.916 1.00 0.00 ATOM 221 CD1 TYR 32 -12.002 6.030 -24.687 1.00 0.00 ATOM 222 CD2 TYR 32 -10.781 3.938 -24.374 1.00 0.00 ATOM 223 CE1 TYR 32 -12.547 5.567 -25.858 1.00 0.00 ATOM 224 CE2 TYR 32 -11.313 3.458 -25.574 1.00 0.00 ATOM 225 CZ TYR 32 -12.201 4.294 -26.328 1.00 0.00 ATOM 226 OH TYR 32 -12.678 3.944 -27.552 1.00 0.00 ATOM 227 O TYR 32 -8.819 4.854 -20.462 1.00 0.00 ATOM 228 C TYR 32 -9.926 5.342 -20.326 1.00 0.00 ATOM 229 N GLY 33 -10.307 6.114 -19.299 1.00 0.00 ATOM 230 CA GLY 33 -9.414 6.452 -18.208 1.00 0.00 ATOM 231 O GLY 33 -8.599 5.100 -16.399 1.00 0.00 ATOM 232 C GLY 33 -9.584 5.512 -17.018 1.00 0.00 ATOM 233 N LYS 34 -10.820 5.112 -16.749 1.00 0.00 ATOM 234 CA LYS 34 -11.148 4.240 -15.639 1.00 0.00 ATOM 235 CB LYS 34 -12.594 4.559 -15.233 1.00 0.00 ATOM 236 CG LYS 34 -12.972 4.402 -13.769 1.00 0.00 ATOM 237 CD LYS 34 -13.485 3.026 -13.420 1.00 0.00 ATOM 238 CE LYS 34 -14.150 2.974 -12.045 1.00 0.00 ATOM 239 NZ LYS 34 -15.399 3.810 -11.946 1.00 0.00 ATOM 240 O LYS 34 -10.694 1.915 -15.011 1.00 0.00 ATOM 241 C LYS 34 -11.037 2.687 -15.913 1.00 0.00 ATOM 242 N TYR 35 -11.394 2.251 -17.125 1.00 0.00 ATOM 243 CA TYR 35 -11.480 0.831 -17.441 1.00 0.00 ATOM 244 CB TYR 35 -12.849 0.491 -18.015 1.00 0.00 ATOM 245 CG TYR 35 -14.001 0.777 -17.118 1.00 0.00 ATOM 246 CD1 TYR 35 -14.875 1.845 -17.403 1.00 0.00 ATOM 247 CD2 TYR 35 -14.234 0.018 -15.951 1.00 0.00 ATOM 248 CE1 TYR 35 -15.982 2.173 -16.503 1.00 0.00 ATOM 249 CE2 TYR 35 -15.295 0.312 -15.090 1.00 0.00 ATOM 250 CZ TYR 35 -16.164 1.397 -15.375 1.00 0.00 ATOM 251 OH TYR 35 -17.167 1.726 -14.518 1.00 0.00 ATOM 252 O TYR 35 -10.450 0.702 -19.546 1.00 0.00 ATOM 253 C TYR 35 -10.417 0.338 -18.366 1.00 0.00 ATOM 254 N ASP 36 -9.609 -0.610 -17.859 1.00 0.00 ATOM 255 CA ASP 36 -8.527 -1.216 -18.621 1.00 0.00 ATOM 256 CB ASP 36 -7.577 -2.052 -17.713 1.00 0.00 ATOM 257 CG ASP 36 -6.361 -1.216 -17.195 1.00 0.00 ATOM 258 OD1 ASP 36 -5.258 -1.348 -17.796 1.00 0.00 ATOM 259 OD2 ASP 36 -6.508 -0.370 -16.251 1.00 0.00 ATOM 260 O ASP 36 -8.408 -1.997 -20.874 1.00 0.00 ATOM 261 C ASP 36 -9.053 -2.011 -19.849 1.00 0.00 ATOM 262 N VAL 37 -10.249 -2.599 -19.780 1.00 0.00 ATOM 263 CA VAL 37 -10.758 -3.324 -20.968 1.00 0.00 ATOM 264 CB VAL 37 -12.010 -4.109 -20.675 1.00 0.00 ATOM 265 CG1 VAL 37 -11.604 -5.214 -19.773 1.00 0.00 ATOM 266 CG2 VAL 37 -13.097 -3.213 -20.003 1.00 0.00 ATOM 267 O VAL 37 -10.714 -2.870 -23.328 1.00 0.00 ATOM 268 C VAL 37 -10.966 -2.438 -22.216 1.00 0.00 ATOM 269 N PHE 38 -11.327 -1.184 -21.974 1.00 0.00 ATOM 270 CA PHE 38 -11.489 -0.204 -23.020 1.00 0.00 ATOM 271 CB PHE 38 -12.445 0.888 -22.573 1.00 0.00 ATOM 272 CG PHE 38 -13.861 0.428 -22.580 1.00 0.00 ATOM 273 CD1 PHE 38 -14.429 -0.160 -21.477 1.00 0.00 ATOM 274 CD2 PHE 38 -14.616 0.520 -23.757 1.00 0.00 ATOM 275 CE1 PHE 38 -15.696 -0.684 -21.532 1.00 0.00 ATOM 276 CE2 PHE 38 -15.915 -0.016 -23.820 1.00 0.00 ATOM 277 CZ PHE 38 -16.456 -0.605 -22.711 1.00 0.00 ATOM 278 O PHE 38 -9.885 0.497 -24.567 1.00 0.00 ATOM 279 C PHE 38 -10.179 0.392 -23.388 1.00 0.00 ATOM 280 N LYS 39 -9.335 0.696 -22.402 1.00 0.00 ATOM 281 CA LYS 39 -8.041 1.348 -22.678 1.00 0.00 ATOM 282 CB LYS 39 -7.363 1.815 -21.338 1.00 0.00 ATOM 283 CG LYS 39 -6.069 2.598 -21.426 1.00 0.00 ATOM 284 CD LYS 39 -5.285 2.612 -20.013 1.00 0.00 ATOM 285 CE LYS 39 -5.815 3.629 -18.910 1.00 0.00 ATOM 286 NZ LYS 39 -7.003 3.168 -18.028 1.00 0.00 ATOM 287 O LYS 39 -6.447 0.876 -24.389 1.00 0.00 ATOM 288 C LYS 39 -7.139 0.430 -23.477 1.00 0.00 ATOM 289 N ARG 40 -7.244 -0.857 -23.176 1.00 0.00 ATOM 290 CA ARG 40 -6.436 -1.836 -23.851 1.00 0.00 ATOM 291 CB ARG 40 -5.722 -2.722 -22.811 1.00 0.00 ATOM 292 CG ARG 40 -4.383 -2.080 -22.399 1.00 0.00 ATOM 293 CD ARG 40 -4.295 -1.980 -20.909 1.00 0.00 ATOM 294 NE ARG 40 -4.471 -3.311 -20.300 1.00 0.00 ATOM 295 CZ ARG 40 -3.867 -3.743 -19.189 1.00 0.00 ATOM 296 NH1 ARG 40 -3.037 -2.929 -18.517 1.00 0.00 ATOM 297 NH2 ARG 40 -4.052 -5.016 -18.788 1.00 0.00 ATOM 298 O ARG 40 -6.482 -3.463 -25.595 1.00 0.00 ATOM 299 C ARG 40 -7.100 -2.611 -24.989 1.00 0.00 ATOM 300 N PHE 41 -8.296 -2.154 -25.359 1.00 0.00 ATOM 301 CA PHE 41 -9.101 -2.702 -26.437 1.00 0.00 ATOM 302 CB PHE 41 -8.557 -2.251 -27.812 1.00 0.00 ATOM 303 CG PHE 41 -8.915 -0.894 -28.169 1.00 0.00 ATOM 304 CD1 PHE 41 -8.197 0.200 -27.662 1.00 0.00 ATOM 305 CD2 PHE 41 -9.976 -0.663 -29.044 1.00 0.00 ATOM 306 CE1 PHE 41 -8.524 1.559 -28.012 1.00 0.00 ATOM 307 CE2 PHE 41 -10.330 0.668 -29.411 1.00 0.00 ATOM 308 CZ PHE 41 -9.574 1.795 -28.873 1.00 0.00 ATOM 309 O PHE 41 -8.722 -4.910 -27.242 1.00 0.00 ATOM 310 C PHE 41 -9.211 -4.215 -26.373 1.00 0.00 ATOM 311 N LYS 42 -9.733 -4.722 -25.275 1.00 0.00 ATOM 312 CA LYS 42 -9.914 -6.155 -25.164 1.00 0.00 ATOM 313 CB LYS 42 -9.769 -6.579 -23.705 1.00 0.00 ATOM 314 CG LYS 42 -8.305 -6.538 -23.228 1.00 0.00 ATOM 315 CD LYS 42 -8.233 -6.888 -21.783 1.00 0.00 ATOM 316 CE LYS 42 -6.824 -7.311 -21.312 1.00 0.00 ATOM 317 NZ LYS 42 -7.131 -7.770 -19.891 1.00 0.00 ATOM 318 O LYS 42 -12.238 -5.715 -25.531 1.00 0.00 ATOM 319 C LYS 42 -11.325 -6.525 -25.646 1.00 0.00 ATOM 320 N PRO 43 -11.523 -7.772 -26.118 1.00 0.00 ATOM 321 CA PRO 43 -12.848 -8.175 -26.574 1.00 0.00 ATOM 322 CB PRO 43 -12.638 -9.631 -26.992 1.00 0.00 ATOM 323 CG PRO 43 -11.261 -9.641 -27.549 1.00 0.00 ATOM 324 CD PRO 43 -10.476 -8.733 -26.573 1.00 0.00 ATOM 325 O PRO 43 -13.423 -8.547 -24.294 1.00 0.00 ATOM 326 C PRO 43 -13.765 -8.068 -25.380 1.00 0.00 ATOM 327 N LEU 44 -14.871 -7.366 -25.541 1.00 0.00 ATOM 328 CA LEU 44 -15.811 -7.146 -24.482 1.00 0.00 ATOM 329 CB LEU 44 -16.430 -5.740 -24.650 1.00 0.00 ATOM 330 CG LEU 44 -15.439 -4.584 -24.808 1.00 0.00 ATOM 331 CD1 LEU 44 -16.111 -3.247 -25.354 1.00 0.00 ATOM 332 CD2 LEU 44 -14.733 -4.331 -23.457 1.00 0.00 ATOM 333 O LEU 44 -17.536 -8.710 -25.288 1.00 0.00 ATOM 334 C LEU 44 -16.936 -8.180 -24.301 1.00 0.00 ATOM 335 N ALA 45 -17.237 -8.483 -23.043 1.00 0.00 ATOM 336 CA ALA 45 -18.281 -9.398 -22.738 1.00 0.00 ATOM 337 CB ALA 45 -18.309 -9.634 -21.230 1.00 0.00 ATOM 338 O ALA 45 -19.931 -7.731 -23.345 1.00 0.00 ATOM 339 C ALA 45 -19.681 -8.933 -23.208 1.00 0.00 ATOM 340 N LEU 46 -20.585 -9.898 -23.411 1.00 0.00 ATOM 341 CA LEU 46 -21.998 -9.668 -23.769 1.00 0.00 ATOM 342 CB LEU 46 -22.755 -11.010 -23.749 1.00 0.00 ATOM 343 CG LEU 46 -24.111 -11.356 -24.412 1.00 0.00 ATOM 344 CD1 LEU 46 -25.068 -11.976 -23.442 1.00 0.00 ATOM 345 CD2 LEU 46 -24.781 -10.232 -25.092 1.00 0.00 ATOM 346 O LEU 46 -22.286 -9.155 -21.420 1.00 0.00 ATOM 347 C LEU 46 -22.594 -8.863 -22.616 1.00 0.00 ATOM 348 N GLY 47 -23.439 -7.887 -22.959 1.00 0.00 ATOM 349 CA GLY 47 -24.110 -7.070 -21.968 1.00 0.00 ATOM 350 O GLY 47 -23.649 -5.403 -20.337 1.00 0.00 ATOM 351 C GLY 47 -23.263 -5.987 -21.335 1.00 0.00 ATOM 352 N ILE 48 -22.119 -5.670 -21.917 1.00 0.00 ATOM 353 CA ILE 48 -21.311 -4.606 -21.364 1.00 0.00 ATOM 354 CB ILE 48 -19.911 -4.580 -21.982 1.00 0.00 ATOM 355 CG1 ILE 48 -18.983 -3.948 -20.996 1.00 0.00 ATOM 356 CG2 ILE 48 -19.880 -3.932 -23.339 1.00 0.00 ATOM 357 CD1 ILE 48 -17.564 -4.213 -21.248 1.00 0.00 ATOM 358 O ILE 48 -21.750 -2.350 -20.556 1.00 0.00 ATOM 359 C ILE 48 -22.002 -3.217 -21.410 1.00 0.00 ATOM 360 N ASP 49 -22.938 -3.066 -22.346 1.00 0.00 ATOM 361 CA ASP 49 -23.693 -1.841 -22.450 1.00 0.00 ATOM 362 CB ASP 49 -24.598 -1.828 -23.701 1.00 0.00 ATOM 363 CG ASP 49 -25.697 -2.867 -23.637 1.00 0.00 ATOM 364 OD1 ASP 49 -26.892 -2.453 -23.697 1.00 0.00 ATOM 365 OD2 ASP 49 -25.397 -4.075 -23.481 1.00 0.00 ATOM 366 O ASP 49 -24.339 -0.522 -20.555 1.00 0.00 ATOM 367 C ASP 49 -24.486 -1.598 -21.150 1.00 0.00 ATOM 368 N GLN 50 -25.125 -2.659 -20.624 1.00 0.00 ATOM 369 CA GLN 50 -25.938 -2.585 -19.379 1.00 0.00 ATOM 370 CB GLN 50 -26.856 -3.813 -19.220 1.00 0.00 ATOM 371 CG GLN 50 -27.755 -4.135 -20.445 1.00 0.00 ATOM 372 CD GLN 50 -29.143 -3.423 -20.416 1.00 0.00 ATOM 373 OE1 GLN 50 -30.194 -4.101 -20.304 1.00 0.00 ATOM 374 NE2 GLN 50 -29.159 -2.101 -20.555 1.00 0.00 ATOM 375 O GLN 50 -25.512 -1.847 -17.116 1.00 0.00 ATOM 376 C GLN 50 -25.078 -2.413 -18.124 1.00 0.00 ATOM 377 N ASP 51 -23.858 -2.925 -18.187 1.00 0.00 ATOM 378 CA ASP 51 -22.931 -2.790 -17.090 1.00 0.00 ATOM 379 CB ASP 51 -21.750 -3.747 -17.251 1.00 0.00 ATOM 380 CG ASP 51 -22.140 -5.184 -17.055 1.00 0.00 ATOM 381 OD1 ASP 51 -23.027 -5.450 -16.214 1.00 0.00 ATOM 382 OD2 ASP 51 -21.579 -6.026 -17.751 1.00 0.00 ATOM 383 O ASP 51 -22.313 -0.786 -15.989 1.00 0.00 ATOM 384 C ASP 51 -22.425 -1.354 -17.047 1.00 0.00 ATOM 385 N LEU 52 -22.189 -0.748 -18.206 1.00 0.00 ATOM 386 CA LEU 52 -21.717 0.626 -18.245 1.00 0.00 ATOM 387 CB LEU 52 -21.213 1.005 -19.623 1.00 0.00 ATOM 388 CG LEU 52 -19.823 0.630 -20.133 1.00 0.00 ATOM 389 CD1 LEU 52 -19.762 1.032 -21.645 1.00 0.00 ATOM 390 CD2 LEU 52 -18.789 1.393 -19.337 1.00 0.00 ATOM 391 O LEU 52 -22.558 2.401 -16.920 1.00 0.00 ATOM 392 C LEU 52 -22.801 1.607 -17.792 1.00 0.00 ATOM 393 N ILE 53 -24.037 1.376 -18.225 1.00 0.00 ATOM 394 CA ILE 53 -25.192 2.212 -17.895 1.00 0.00 ATOM 395 CB ILE 53 -26.466 1.737 -18.689 1.00 0.00 ATOM 396 CG1 ILE 53 -26.290 2.075 -20.198 1.00 0.00 ATOM 397 CG2 ILE 53 -27.805 2.275 -18.025 1.00 0.00 ATOM 398 CD1 ILE 53 -27.333 1.413 -21.177 1.00 0.00 ATOM 399 O ILE 53 -25.644 3.265 -15.779 1.00 0.00 ATOM 400 C ILE 53 -25.447 2.198 -16.403 1.00 0.00 ATOM 401 N ALA 54 -25.367 1.000 -15.838 1.00 0.00 ATOM 402 CA ALA 54 -25.581 0.809 -14.436 1.00 0.00 ATOM 403 CB ALA 54 -25.715 -0.652 -14.136 1.00 0.00 ATOM 404 O ALA 54 -24.708 2.160 -12.644 1.00 0.00 ATOM 405 C ALA 54 -24.436 1.446 -13.634 1.00 0.00 ATOM 406 N ALA 55 -23.211 1.377 -14.163 1.00 0.00 ATOM 407 CA ALA 55 -22.037 1.918 -13.478 1.00 0.00 ATOM 408 CB ALA 55 -20.746 1.250 -14.029 1.00 0.00 ATOM 409 O ALA 55 -21.055 4.098 -12.864 1.00 0.00 ATOM 410 C ALA 55 -21.878 3.450 -13.592 1.00 0.00 ATOM 411 N LEU 56 -22.574 4.014 -14.586 1.00 0.00 ATOM 412 CA LEU 56 -22.531 5.425 -14.896 1.00 0.00 ATOM 413 CB LEU 56 -21.844 5.640 -16.237 1.00 0.00 ATOM 414 CG LEU 56 -20.473 5.015 -16.447 1.00 0.00 ATOM 415 CD1 LEU 56 -19.993 5.407 -17.829 1.00 0.00 ATOM 416 CD2 LEU 56 -19.491 5.403 -15.378 1.00 0.00 ATOM 417 O LEU 56 -24.321 6.647 -15.903 1.00 0.00 ATOM 418 C LEU 56 -23.884 6.123 -14.878 1.00 0.00 ATOM 419 N PRO 57 -24.508 6.288 -13.697 1.00 0.00 ATOM 420 CA PRO 57 -25.821 6.957 -13.745 1.00 0.00 ATOM 421 CB PRO 57 -26.511 6.484 -12.452 1.00 0.00 ATOM 422 CG PRO 57 -25.392 6.350 -11.500 1.00 0.00 ATOM 423 CD PRO 57 -24.233 5.768 -12.328 1.00 0.00 ATOM 424 O PRO 57 -26.865 9.069 -14.041 1.00 0.00 ATOM 425 C PRO 57 -25.804 8.472 -13.889 1.00 0.00 ATOM 426 N GLN 58 -24.608 9.057 -13.876 1.00 0.00 ATOM 427 CA GLN 58 -24.402 10.502 -14.047 1.00 0.00 ATOM 428 CB GLN 58 -23.076 10.962 -13.372 1.00 0.00 ATOM 429 CG GLN 58 -21.785 10.504 -14.019 1.00 0.00 ATOM 430 CD GLN 58 -21.333 9.071 -13.607 1.00 0.00 ATOM 431 OE1 GLN 58 -20.151 8.841 -13.409 1.00 0.00 ATOM 432 NE2 GLN 58 -22.264 8.146 -13.441 1.00 0.00 ATOM 433 O GLN 58 -24.045 12.027 -15.851 1.00 0.00 ATOM 434 C GLN 58 -24.371 10.888 -15.510 1.00 0.00 ATOM 435 N TYR 59 -24.585 9.897 -16.369 1.00 0.00 ATOM 436 CA TYR 59 -24.555 10.065 -17.826 1.00 0.00 ATOM 437 CB TYR 59 -23.238 9.518 -18.393 1.00 0.00 ATOM 438 CG TYR 59 -21.968 10.243 -17.955 1.00 0.00 ATOM 439 CD1 TYR 59 -21.823 11.634 -18.157 1.00 0.00 ATOM 440 CD2 TYR 59 -20.877 9.526 -17.387 1.00 0.00 ATOM 441 CE1 TYR 59 -20.622 12.303 -17.795 1.00 0.00 ATOM 442 CE2 TYR 59 -19.686 10.167 -17.041 1.00 0.00 ATOM 443 CZ TYR 59 -19.566 11.561 -17.248 1.00 0.00 ATOM 444 OH TYR 59 -18.417 12.236 -16.932 1.00 0.00 ATOM 445 O TYR 59 -26.363 8.496 -17.975 1.00 0.00 ATOM 446 C TYR 59 -25.767 9.428 -18.511 1.00 0.00 ATOM 447 N ASP 60 -26.186 9.982 -19.654 1.00 0.00 ATOM 448 CA ASP 60 -27.370 9.470 -20.399 1.00 0.00 ATOM 449 CB ASP 60 -27.862 10.488 -21.456 1.00 0.00 ATOM 450 CG ASP 60 -28.555 11.689 -20.827 1.00 0.00 ATOM 451 OD1 ASP 60 -29.401 11.488 -19.927 1.00 0.00 ATOM 452 OD2 ASP 60 -28.261 12.846 -21.213 1.00 0.00 ATOM 453 O ASP 60 -26.060 8.113 -21.815 1.00 0.00 ATOM 454 C ASP 60 -27.059 8.181 -21.093 1.00 0.00 ATOM 455 N ALA 61 -27.894 7.167 -20.820 1.00 0.00 ATOM 456 CA ALA 61 -27.843 5.794 -21.395 1.00 0.00 ATOM 457 CB ALA 61 -29.059 4.990 -20.983 1.00 0.00 ATOM 458 O ALA 61 -27.093 4.889 -23.499 1.00 0.00 ATOM 459 C ALA 61 -27.723 5.771 -22.916 1.00 0.00 ATOM 460 N ALA 62 -28.281 6.771 -23.569 1.00 0.00 ATOM 461 CA ALA 62 -28.205 6.824 -25.004 1.00 0.00 ATOM 462 CB ALA 62 -29.282 7.792 -25.574 1.00 0.00 ATOM 463 O ALA 62 -26.375 6.805 -26.477 1.00 0.00 ATOM 464 C ALA 62 -26.845 7.270 -25.431 1.00 0.00 ATOM 465 N LEU 63 -26.206 8.167 -24.667 1.00 0.00 ATOM 466 CA LEU 63 -24.894 8.593 -25.129 1.00 0.00 ATOM 467 CB LEU 63 -24.553 10.025 -24.751 1.00 0.00 ATOM 468 CG LEU 63 -25.490 11.159 -25.182 1.00 0.00 ATOM 469 CD1 LEU 63 -25.030 12.420 -24.485 1.00 0.00 ATOM 470 CD2 LEU 63 -25.506 11.423 -26.683 1.00 0.00 ATOM 471 O LEU 63 -22.739 7.639 -25.301 1.00 0.00 ATOM 472 C LEU 63 -23.813 7.618 -24.715 1.00 0.00 ATOM 473 N ILE 64 -24.129 6.751 -23.742 1.00 0.00 ATOM 474 CA ILE 64 -23.212 5.690 -23.303 1.00 0.00 ATOM 475 CB ILE 64 -23.719 4.848 -22.049 1.00 0.00 ATOM 476 CG1 ILE 64 -24.000 5.700 -20.760 1.00 0.00 ATOM 477 CG2 ILE 64 -22.697 3.781 -21.677 1.00 0.00 ATOM 478 CD1 ILE 64 -22.884 6.464 -20.202 1.00 0.00 ATOM 479 O ILE 64 -22.094 4.372 -25.033 1.00 0.00 ATOM 480 C ILE 64 -23.152 4.681 -24.507 1.00 0.00 ATOM 481 N ALA 65 -24.327 4.304 -25.002 1.00 0.00 ATOM 482 CA ALA 65 -24.470 3.386 -26.136 1.00 0.00 ATOM 483 CB ALA 65 -25.943 3.133 -26.400 1.00 0.00 ATOM 484 O ALA 65 -22.970 3.167 -27.998 1.00 0.00 ATOM 485 C ALA 65 -23.753 3.893 -27.393 1.00 0.00 ATOM 486 N ARG 66 -23.851 5.189 -27.661 1.00 0.00 ATOM 487 CA ARG 66 -23.182 5.785 -28.809 1.00 0.00 ATOM 488 CB ARG 66 -23.713 7.216 -29.006 1.00 0.00 ATOM 489 CG ARG 66 -22.986 8.102 -29.986 1.00 0.00 ATOM 490 CD ARG 66 -23.327 9.566 -29.730 1.00 0.00 ATOM 491 NE ARG 66 -24.698 9.948 -30.130 1.00 0.00 ATOM 492 CZ ARG 66 -25.048 11.197 -30.474 1.00 0.00 ATOM 493 NH1 ARG 66 -24.119 12.185 -30.475 1.00 0.00 ATOM 494 NH2 ARG 66 -26.326 11.472 -30.803 1.00 0.00 ATOM 495 O ARG 66 -20.943 5.507 -29.680 1.00 0.00 ATOM 496 C ARG 66 -21.653 5.733 -28.689 1.00 0.00 ATOM 497 N VAL 67 -21.141 5.925 -27.476 1.00 0.00 ATOM 498 CA VAL 67 -19.674 5.857 -27.229 1.00 0.00 ATOM 499 CB VAL 67 -19.283 6.478 -25.811 1.00 0.00 ATOM 500 CG1 VAL 67 -17.773 6.312 -25.573 1.00 0.00 ATOM 501 CG2 VAL 67 -19.556 7.957 -25.820 1.00 0.00 ATOM 502 O VAL 67 -18.159 4.123 -27.948 1.00 0.00 ATOM 503 C VAL 67 -19.170 4.401 -27.359 1.00 0.00 ATOM 504 N LEU 68 -19.972 3.497 -26.845 1.00 0.00 ATOM 505 CA LEU 68 -19.705 2.074 -26.926 1.00 0.00 ATOM 506 CB LEU 68 -20.747 1.303 -26.106 1.00 0.00 ATOM 507 CG LEU 68 -20.450 -0.167 -26.251 1.00 0.00 ATOM 508 CD1 LEU 68 -19.027 -0.491 -25.642 1.00 0.00 ATOM 509 CD2 LEU 68 -21.468 -0.958 -25.595 1.00 0.00 ATOM 510 O LEU 68 -18.693 1.016 -28.873 1.00 0.00 ATOM 511 C LEU 68 -19.694 1.634 -28.423 1.00 0.00 ATOM 512 N ALA 69 -20.693 2.089 -29.207 1.00 0.00 ATOM 513 CA ALA 69 -20.780 1.758 -30.670 1.00 0.00 ATOM 514 CB ALA 69 -22.069 2.236 -31.274 1.00 0.00 ATOM 515 O ALA 69 -19.071 1.719 -32.301 1.00 0.00 ATOM 516 C ALA 69 -19.607 2.368 -31.421 1.00 0.00 ATOM 517 N ASN 70 -19.125 3.538 -30.974 1.00 0.00 ATOM 518 CA ASN 70 -17.971 4.176 -31.597 1.00 0.00 ATOM 519 CB ASN 70 -17.743 5.554 -31.019 1.00 0.00 ATOM 520 CG ASN 70 -18.270 6.625 -31.903 1.00 0.00 ATOM 521 ND2 ASN 70 -19.409 7.207 -31.551 1.00 0.00 ATOM 522 OD1 ASN 70 -17.659 6.890 -32.966 1.00 0.00 ATOM 523 O ASN 70 -15.821 3.255 -32.166 1.00 0.00 ATOM 524 C ASN 70 -16.698 3.388 -31.315 1.00 0.00 ATOM 525 N HIS 71 -16.608 2.903 -30.078 1.00 0.00 ATOM 526 CA HIS 71 -15.462 2.127 -29.650 1.00 0.00 ATOM 527 CB HIS 71 -15.551 1.888 -28.142 1.00 0.00 ATOM 528 CG HIS 71 -14.526 0.915 -27.650 1.00 0.00 ATOM 529 CD2 HIS 71 -14.593 -0.413 -27.438 1.00 0.00 ATOM 530 ND1 HIS 71 -13.234 1.287 -27.377 1.00 0.00 ATOM 531 CE1 HIS 71 -12.549 0.224 -27.024 1.00 0.00 ATOM 532 NE2 HIS 71 -13.357 -0.812 -27.064 1.00 0.00 ATOM 533 O HIS 71 -14.453 0.422 -30.980 1.00 0.00 ATOM 534 C HIS 71 -15.445 0.779 -30.440 1.00 0.00 ATOM 535 N CYS 72 -16.591 0.137 -30.547 1.00 0.00 ATOM 536 CA CYS 72 -16.684 -1.099 -31.252 1.00 0.00 ATOM 537 CB CYS 72 -17.923 -1.890 -30.860 1.00 0.00 ATOM 538 SG CYS 72 -17.757 -2.418 -29.028 1.00 0.00 ATOM 539 O CYS 72 -16.291 -2.182 -33.334 1.00 0.00 ATOM 540 C CYS 72 -16.475 -1.102 -32.753 1.00 0.00 ATOM 541 N ARG 73 -16.309 0.083 -33.346 1.00 0.00 ATOM 542 CA ARG 73 -16.153 0.188 -34.792 1.00 0.00 ATOM 543 CB ARG 73 -17.383 0.905 -35.379 1.00 0.00 ATOM 544 CG ARG 73 -17.265 2.312 -35.900 1.00 0.00 ATOM 545 CD ARG 73 -18.650 2.759 -36.467 1.00 0.00 ATOM 546 NE ARG 73 -19.039 4.005 -35.815 1.00 0.00 ATOM 547 CZ ARG 73 -20.183 4.193 -35.168 1.00 0.00 ATOM 548 NH1 ARG 73 -21.106 3.234 -35.119 1.00 0.00 ATOM 549 NH2 ARG 73 -20.297 5.248 -34.369 1.00 0.00 ATOM 550 O ARG 73 -14.419 0.616 -36.363 1.00 0.00 ATOM 551 C ARG 73 -14.797 0.670 -35.200 1.00 0.00 ATOM 552 N ARG 74 -13.972 0.931 -34.196 1.00 0.00 ATOM 553 CA ARG 74 -12.600 1.339 -34.432 1.00 0.00 ATOM 554 CB ARG 74 -11.975 1.902 -33.131 1.00 0.00 ATOM 555 CG ARG 74 -12.669 3.189 -32.753 1.00 0.00 ATOM 556 CD ARG 74 -12.137 3.873 -31.562 1.00 0.00 ATOM 557 NE ARG 74 -10.740 4.283 -31.719 1.00 0.00 ATOM 558 CZ ARG 74 -10.008 4.829 -30.745 1.00 0.00 ATOM 559 NH1 ARG 74 -10.567 5.059 -29.539 1.00 0.00 ATOM 560 NH2 ARG 74 -8.693 5.011 -30.930 1.00 0.00 ATOM 561 O ARG 74 -12.082 -0.966 -34.495 1.00 0.00 ATOM 562 C ARG 74 -11.822 0.132 -34.911 1.00 0.00 ATOM 563 N PRO 75 -10.960 0.321 -35.895 1.00 0.00 ATOM 564 CA PRO 75 -10.108 -0.738 -36.463 1.00 0.00 ATOM 565 CB PRO 75 -9.075 0.050 -37.285 1.00 0.00 ATOM 566 CG PRO 75 -9.953 1.160 -37.875 1.00 0.00 ATOM 567 CD PRO 75 -10.794 1.601 -36.648 1.00 0.00 ATOM 568 O PRO 75 -9.341 -2.800 -35.413 1.00 0.00 ATOM 569 C PRO 75 -9.378 -1.558 -35.362 1.00 0.00 ATOM 570 N ARG 76 -8.919 -0.844 -34.331 1.00 0.00 ATOM 571 CA ARG 76 -8.199 -1.470 -33.230 1.00 0.00 ATOM 572 CB ARG 76 -7.646 -0.415 -32.254 1.00 0.00 ATOM 573 CG ARG 76 -6.806 -0.960 -31.176 1.00 0.00 ATOM 574 CD ARG 76 -5.925 0.094 -30.523 1.00 0.00 ATOM 575 NE ARG 76 -5.454 -0.473 -29.254 1.00 0.00 ATOM 576 CZ ARG 76 -4.747 0.171 -28.318 1.00 0.00 ATOM 577 NH1 ARG 76 -4.406 1.474 -28.461 1.00 0.00 ATOM 578 NH2 ARG 76 -4.319 -0.521 -27.265 1.00 0.00 ATOM 579 O ARG 76 -8.541 -3.545 -32.116 1.00 0.00 ATOM 580 C ARG 76 -9.046 -2.508 -32.499 1.00 0.00 ATOM 581 N TYR 77 -10.345 -2.261 -32.414 1.00 0.00 ATOM 582 CA TYR 77 -11.250 -3.173 -31.728 1.00 0.00 ATOM 583 CB TYR 77 -12.566 -2.512 -31.424 1.00 0.00 ATOM 584 CG TYR 77 -13.450 -3.379 -30.580 1.00 0.00 ATOM 585 CD1 TYR 77 -13.090 -3.697 -29.239 1.00 0.00 ATOM 586 CD2 TYR 77 -14.611 -3.983 -31.114 1.00 0.00 ATOM 587 CE1 TYR 77 -13.862 -4.610 -28.455 1.00 0.00 ATOM 588 CE2 TYR 77 -15.385 -4.913 -30.309 1.00 0.00 ATOM 589 CZ TYR 77 -14.988 -5.206 -28.973 1.00 0.00 ATOM 590 OH TYR 77 -15.761 -6.045 -28.156 1.00 0.00 ATOM 591 O TYR 77 -11.610 -5.554 -32.088 1.00 0.00 ATOM 592 C TYR 77 -11.522 -4.438 -32.592 1.00 0.00 ATOM 593 N LEU 78 -11.741 -4.197 -33.874 1.00 0.00 ATOM 594 CA LEU 78 -12.018 -5.218 -34.836 1.00 0.00 ATOM 595 CB LEU 78 -12.289 -4.531 -36.167 1.00 0.00 ATOM 596 CG LEU 78 -13.714 -4.463 -36.725 1.00 0.00 ATOM 597 CD1 LEU 78 -14.785 -4.450 -35.749 1.00 0.00 ATOM 598 CD2 LEU 78 -13.799 -3.224 -37.667 1.00 0.00 ATOM 599 O LEU 78 -10.913 -7.333 -34.963 1.00 0.00 ATOM 600 C LEU 78 -10.762 -6.145 -34.897 1.00 0.00 ATOM 601 N LYS 79 -9.549 -5.573 -34.828 1.00 0.00 ATOM 602 CA LYS 79 -8.287 -6.337 -34.819 1.00 0.00 ATOM 603 CB LYS 79 -7.070 -5.481 -34.599 1.00 0.00 ATOM 604 CG LYS 79 -6.444 -4.882 -35.741 1.00 0.00 ATOM 605 CD LYS 79 -4.926 -4.593 -35.425 1.00 0.00 ATOM 606 CE LYS 79 -4.638 -3.342 -34.502 1.00 0.00 ATOM 607 NZ LYS 79 -3.497 -3.574 -33.486 1.00 0.00 ATOM 608 O LYS 79 -7.745 -8.331 -33.619 1.00 0.00 ATOM 609 C LYS 79 -8.256 -7.230 -33.566 1.00 0.00 ATOM 610 N ALA 80 -8.782 -6.721 -32.455 1.00 0.00 ATOM 611 CA ALA 80 -8.765 -7.491 -31.213 1.00 0.00 ATOM 612 CB ALA 80 -9.208 -6.618 -29.978 1.00 0.00 ATOM 613 O ALA 80 -9.606 -9.671 -30.872 1.00 0.00 ATOM 614 C ALA 80 -9.780 -8.625 -31.407 1.00 0.00 ATOM 615 N LEU 81 -10.848 -8.385 -32.150 1.00 0.00 ATOM 616 CA LEU 81 -11.781 -9.466 -32.349 1.00 0.00 ATOM 617 CB LEU 81 -13.120 -8.970 -32.863 1.00 0.00 ATOM 618 CG LEU 81 -14.029 -8.142 -31.992 1.00 0.00 ATOM 619 CD1 LEU 81 -15.291 -7.917 -32.855 1.00 0.00 ATOM 620 CD2 LEU 81 -14.422 -8.859 -30.700 1.00 0.00 ATOM 621 O LEU 81 -11.261 -11.698 -33.096 1.00 0.00 ATOM 622 C LEU 81 -11.147 -10.528 -33.338 1.00 0.00 ATOM 623 N ALA 82 -10.278 -10.075 -34.212 1.00 0.00 ATOM 624 CA ALA 82 -9.604 -10.948 -35.127 1.00 0.00 ATOM 625 CB ALA 82 -8.857 -10.153 -36.186 1.00 0.00 ATOM 626 O ALA 82 -8.212 -12.906 -34.720 1.00 0.00 ATOM 627 C ALA 82 -8.551 -11.796 -34.327 1.00 0.00 ATOM 628 N ARG 83 -8.050 -11.229 -33.220 1.00 0.00 ATOM 629 CA ARG 83 -7.057 -11.886 -32.410 1.00 0.00 ATOM 630 CB ARG 83 -6.308 -10.868 -31.503 1.00 0.00 ATOM 631 CG ARG 83 -5.341 -11.454 -30.511 1.00 0.00 ATOM 632 CD ARG 83 -4.586 -10.420 -29.720 1.00 0.00 ATOM 633 NE ARG 83 -3.999 -11.114 -28.607 1.00 0.00 ATOM 634 CZ ARG 83 -3.348 -10.578 -27.578 1.00 0.00 ATOM 635 NH1 ARG 83 -3.154 -9.265 -27.502 1.00 0.00 ATOM 636 NH2 ARG 83 -3.050 -11.361 -26.523 1.00 0.00 ATOM 637 O ARG 83 -7.273 -14.110 -31.565 1.00 0.00 ATOM 638 C ARG 83 -7.805 -13.009 -31.671 1.00 0.00 ATOM 639 N GLY 84 -9.055 -12.748 -31.321 1.00 0.00 ATOM 640 CA GLY 84 -9.821 -13.771 -30.678 1.00 0.00 ATOM 641 O GLY 84 -8.839 -13.218 -28.592 1.00 0.00 ATOM 642 C GLY 84 -9.510 -14.031 -29.223 1.00 0.00 ATOM 643 N GLY 85 -9.974 -15.146 -28.682 1.00 0.00 ATOM 644 CA GLY 85 -9.717 -15.456 -27.306 1.00 0.00 ATOM 645 O GLY 85 -11.976 -14.834 -26.922 1.00 0.00 ATOM 646 C GLY 85 -10.859 -15.060 -26.435 1.00 0.00 ATOM 647 N LYS 86 -10.557 -14.863 -25.148 1.00 0.00 ATOM 648 CA LYS 86 -11.598 -14.531 -24.181 1.00 0.00 ATOM 649 CB LYS 86 -11.086 -14.791 -22.753 1.00 0.00 ATOM 650 CG LYS 86 -10.646 -16.249 -22.450 1.00 0.00 ATOM 651 CD LYS 86 -11.881 -16.907 -22.047 1.00 0.00 ATOM 652 CE LYS 86 -11.725 -18.202 -21.402 1.00 0.00 ATOM 653 NZ LYS 86 -13.118 -18.726 -21.135 1.00 0.00 ATOM 654 O LYS 86 -11.509 -12.166 -24.738 1.00 0.00 ATOM 655 C LYS 86 -12.177 -13.082 -24.247 1.00 0.00 ATOM 656 N ARG 87 -13.407 -12.940 -23.777 1.00 0.00 ATOM 657 CA ARG 87 -14.039 -11.657 -23.638 1.00 0.00 ATOM 658 CB ARG 87 -15.501 -11.607 -24.162 1.00 0.00 ATOM 659 CG ARG 87 -15.640 -11.604 -25.700 1.00 0.00 ATOM 660 CD ARG 87 -17.098 -11.874 -26.087 1.00 0.00 ATOM 661 NE ARG 87 -17.262 -11.888 -27.524 1.00 0.00 ATOM 662 CZ ARG 87 -17.253 -10.819 -28.312 1.00 0.00 ATOM 663 NH1 ARG 87 -17.088 -9.611 -27.793 1.00 0.00 ATOM 664 NH2 ARG 87 -17.183 -10.971 -29.636 1.00 0.00 ATOM 665 O ARG 87 -13.836 -12.120 -21.229 1.00 0.00 ATOM 666 C ARG 87 -13.965 -11.259 -22.142 1.00 0.00 ATOM 667 N PHE 88 -13.927 -9.945 -21.922 1.00 0.00 ATOM 668 CA PHE 88 -13.726 -9.379 -20.611 1.00 0.00 ATOM 669 CB PHE 88 -12.394 -8.616 -20.592 1.00 0.00 ATOM 670 CG PHE 88 -11.184 -9.464 -20.781 1.00 0.00 ATOM 671 CD1 PHE 88 -10.349 -9.789 -19.672 1.00 0.00 ATOM 672 CD2 PHE 88 -10.782 -9.916 -22.085 1.00 0.00 ATOM 673 CE1 PHE 88 -9.154 -10.519 -19.828 1.00 0.00 ATOM 674 CE2 PHE 88 -9.578 -10.666 -22.292 1.00 0.00 ATOM 675 CZ PHE 88 -8.736 -10.973 -21.134 1.00 0.00 ATOM 676 O PHE 88 -15.376 -7.638 -20.884 1.00 0.00 ATOM 677 C PHE 88 -14.820 -8.437 -20.116 1.00 0.00 ATOM 678 N ASP 89 -14.986 -8.473 -18.785 1.00 0.00 ATOM 679 CA ASP 89 -15.889 -7.717 -17.881 1.00 0.00 ATOM 680 CB ASP 89 -15.621 -8.248 -16.428 1.00 0.00 ATOM 681 CG ASP 89 -16.663 -9.107 -15.966 1.00 0.00 ATOM 682 OD1 ASP 89 -17.712 -9.043 -16.643 1.00 0.00 ATOM 683 OD2 ASP 89 -16.471 -9.840 -14.987 1.00 0.00 ATOM 684 O ASP 89 -14.173 -6.121 -18.008 1.00 0.00 ATOM 685 C ASP 89 -15.359 -6.344 -17.740 1.00 0.00 ATOM 686 N LEU 90 -16.141 -5.534 -17.029 1.00 0.00 ATOM 687 CA LEU 90 -15.710 -4.183 -16.636 1.00 0.00 ATOM 688 CB LEU 90 -16.845 -3.336 -16.071 1.00 0.00 ATOM 689 CG LEU 90 -17.738 -2.712 -17.146 1.00 0.00 ATOM 690 CD1 LEU 90 -18.727 -1.840 -16.407 1.00 0.00 ATOM 691 CD2 LEU 90 -16.925 -1.840 -18.099 1.00 0.00 ATOM 692 O LEU 90 -13.802 -3.419 -15.444 1.00 0.00 ATOM 693 C LEU 90 -14.639 -4.302 -15.556 1.00 0.00 ATOM 694 N ASN 91 -14.596 -5.462 -14.889 1.00 0.00 ATOM 695 CA ASN 91 -13.616 -5.793 -13.839 1.00 0.00 ATOM 696 CB ASN 91 -14.255 -6.656 -12.739 1.00 0.00 ATOM 697 CG ASN 91 -15.301 -5.895 -11.943 1.00 0.00 ATOM 698 ND2 ASN 91 -16.337 -6.602 -11.491 1.00 0.00 ATOM 699 OD1 ASN 91 -15.195 -4.681 -11.761 1.00 0.00 ATOM 700 O ASN 91 -11.619 -7.096 -13.578 1.00 0.00 ATOM 701 C ASN 91 -12.405 -6.520 -14.365 1.00 0.00 ATOM 702 N ASN 92 -12.238 -6.528 -15.683 1.00 0.00 ATOM 703 CA ASN 92 -11.110 -7.197 -16.333 1.00 0.00 ATOM 704 CB ASN 92 -9.807 -6.449 -16.035 1.00 0.00 ATOM 705 CG ASN 92 -8.935 -6.297 -17.245 1.00 0.00 ATOM 706 ND2 ASN 92 -9.149 -7.152 -18.237 1.00 0.00 ATOM 707 OD1 ASN 92 -8.088 -5.400 -17.306 1.00 0.00 ATOM 708 O ASN 92 -9.862 -9.274 -16.106 1.00 0.00 ATOM 709 C ASN 92 -10.963 -8.712 -16.086 1.00 0.00 ATOM 710 N ARG 93 -12.102 -9.365 -15.906 1.00 0.00 ATOM 711 CA ARG 93 -12.205 -10.804 -15.724 1.00 0.00 ATOM 712 CB ARG 93 -13.091 -11.149 -14.549 1.00 0.00 ATOM 713 CG ARG 93 -12.534 -10.652 -13.251 1.00 0.00 ATOM 714 CD ARG 93 -13.033 -11.429 -12.030 1.00 0.00 ATOM 715 NE ARG 93 -12.981 -10.513 -10.878 1.00 0.00 ATOM 716 CZ ARG 93 -14.047 -9.994 -10.247 1.00 0.00 ATOM 717 NH1 ARG 93 -15.307 -10.302 -10.618 1.00 0.00 ATOM 718 NH2 ARG 93 -13.859 -9.104 -9.272 1.00 0.00 ATOM 719 O ARG 93 -13.703 -10.894 -17.587 1.00 0.00 ATOM 720 C ARG 93 -12.846 -11.470 -16.934 1.00 0.00 ATOM 721 N PHE 94 -12.455 -12.713 -17.187 1.00 0.00 ATOM 722 CA PHE 94 -12.990 -13.560 -18.233 1.00 0.00 ATOM 723 CB PHE 94 -12.400 -14.961 -18.117 1.00 0.00 ATOM 724 CG PHE 94 -10.905 -15.044 -18.413 1.00 0.00 ATOM 725 CD1 PHE 94 -10.219 -14.016 -19.086 1.00 0.00 ATOM 726 CD2 PHE 94 -10.202 -16.218 -18.082 1.00 0.00 ATOM 727 CE1 PHE 94 -8.848 -14.160 -19.448 1.00 0.00 ATOM 728 CE2 PHE 94 -8.850 -16.369 -18.427 1.00 0.00 ATOM 729 CZ PHE 94 -8.172 -15.343 -19.113 1.00 0.00 ATOM 730 O PHE 94 -15.010 -13.789 -17.038 1.00 0.00 ATOM 731 C PHE 94 -14.471 -13.672 -18.133 1.00 0.00 ATOM 732 N LYS 95 -15.149 -13.403 -19.248 1.00 0.00 ATOM 733 CA LYS 95 -16.622 -13.542 -19.343 1.00 0.00 ATOM 734 CB LYS 95 -17.350 -12.351 -18.668 1.00 0.00 ATOM 735 CG LYS 95 -18.876 -12.573 -18.573 1.00 0.00 ATOM 736 CD LYS 95 -19.523 -11.525 -17.669 1.00 0.00 ATOM 737 CE LYS 95 -21.009 -11.559 -17.783 1.00 0.00 ATOM 738 NZ LYS 95 -21.496 -10.394 -16.971 1.00 0.00 ATOM 739 O LYS 95 -17.305 -12.831 -21.594 1.00 0.00 ATOM 740 C LYS 95 -17.021 -13.768 -20.819 1.00 0.00 ATOM 741 N GLY 96 -16.991 -15.054 -21.194 1.00 0.00 ATOM 742 CA GLY 96 -17.339 -15.554 -22.531 1.00 0.00 ATOM 743 O GLY 96 -14.953 -15.515 -22.946 1.00 0.00 ATOM 744 C GLY 96 -16.105 -15.558 -23.424 1.00 0.00 ATOM 745 N GLU 97 -16.325 -15.646 -24.726 1.00 0.00 ATOM 746 CA GLU 97 -15.225 -15.620 -25.665 1.00 0.00 ATOM 747 CB GLU 97 -14.569 -17.004 -25.824 1.00 0.00 ATOM 748 CG GLU 97 -15.557 -18.107 -26.208 1.00 0.00 ATOM 749 CD GLU 97 -15.566 -19.219 -25.145 1.00 0.00 ATOM 750 OE1 GLU 97 -16.155 -18.975 -24.020 1.00 0.00 ATOM 751 OE2 GLU 97 -14.932 -20.314 -25.432 1.00 0.00 ATOM 752 O GLU 97 -16.856 -15.030 -27.328 1.00 0.00 ATOM 753 C GLU 97 -15.673 -15.131 -27.054 1.00 0.00 ATOM 754 N VAL 98 -14.694 -14.890 -27.919 1.00 0.00 ATOM 755 CA VAL 98 -14.944 -14.518 -29.277 1.00 0.00 ATOM 756 CB VAL 98 -13.768 -13.840 -29.926 1.00 0.00 ATOM 757 CG1 VAL 98 -14.061 -13.567 -31.416 1.00 0.00 ATOM 758 CG2 VAL 98 -13.465 -12.485 -29.207 1.00 0.00 ATOM 759 O VAL 98 -14.247 -16.696 -29.985 1.00 0.00 ATOM 760 C VAL 98 -15.140 -15.880 -29.983 1.00 0.00 ATOM 761 N THR 99 -16.316 -16.071 -30.574 1.00 0.00 ATOM 762 CA THR 99 -16.701 -17.271 -31.300 1.00 0.00 ATOM 763 CB THR 99 -18.235 -17.218 -31.697 1.00 0.00 ATOM 764 CG2 THR 99 -19.094 -17.070 -30.540 1.00 0.00 ATOM 765 OG1 THR 99 -18.448 -16.137 -32.643 1.00 0.00 ATOM 766 O THR 99 -15.311 -16.360 -33.041 1.00 0.00 ATOM 767 C THR 99 -15.911 -17.365 -32.589 1.00 0.00 ATOM 768 N PRO 100 -15.870 -18.582 -33.214 1.00 0.00 ATOM 769 CA PRO 100 -15.104 -18.663 -34.498 1.00 0.00 ATOM 770 CB PRO 100 -15.112 -20.165 -34.813 1.00 0.00 ATOM 771 CG PRO 100 -15.073 -20.770 -33.414 1.00 0.00 ATOM 772 CD PRO 100 -16.137 -19.941 -32.669 1.00 0.00 ATOM 773 O PRO 100 -15.034 -17.142 -36.335 1.00 0.00 ATOM 774 C PRO 100 -15.755 -17.801 -35.591 1.00 0.00 ATOM 775 N GLU 101 -17.080 -17.666 -35.569 1.00 0.00 ATOM 776 CA GLU 101 -17.777 -16.821 -36.549 1.00 0.00 ATOM 777 CB GLU 101 -19.295 -17.063 -36.406 1.00 0.00 ATOM 778 CG GLU 101 -20.130 -16.116 -37.253 1.00 0.00 ATOM 779 CD GLU 101 -21.651 -16.227 -36.981 1.00 0.00 ATOM 780 OE1 GLU 101 -22.284 -17.219 -37.385 1.00 0.00 ATOM 781 OE2 GLU 101 -22.231 -15.302 -36.421 1.00 0.00 ATOM 782 O GLU 101 -17.023 -14.637 -37.382 1.00 0.00 ATOM 783 C GLU 101 -17.402 -15.296 -36.391 1.00 0.00 ATOM 784 N GLU 102 -17.452 -14.742 -35.166 1.00 0.00 ATOM 785 CA GLU 102 -17.078 -13.319 -34.957 1.00 0.00 ATOM 786 CB GLU 102 -17.220 -12.877 -33.501 1.00 0.00 ATOM 787 CG GLU 102 -18.583 -13.125 -32.972 1.00 0.00 ATOM 788 CD GLU 102 -18.681 -13.305 -31.424 1.00 0.00 ATOM 789 OE1 GLU 102 -17.695 -13.582 -30.732 1.00 0.00 ATOM 790 OE2 GLU 102 -19.822 -13.232 -30.907 1.00 0.00 ATOM 791 O GLU 102 -15.330 -12.221 -36.130 1.00 0.00 ATOM 792 C GLU 102 -15.642 -13.131 -35.362 1.00 0.00 ATOM 793 N GLN 103 -14.791 -14.088 -35.033 1.00 0.00 ATOM 794 CA GLN 103 -13.399 -13.960 -35.421 1.00 0.00 ATOM 795 CB GLN 103 -12.570 -15.113 -34.755 1.00 0.00 ATOM 796 CG GLN 103 -11.072 -14.950 -34.841 1.00 0.00 ATOM 797 CD GLN 103 -10.313 -16.018 -34.022 1.00 0.00 ATOM 798 OE1 GLN 103 -10.869 -17.118 -33.696 1.00 0.00 ATOM 799 NE2 GLN 103 -9.021 -15.708 -33.694 1.00 0.00 ATOM 800 O GLN 103 -12.294 -13.147 -37.392 1.00 0.00 ATOM 801 C GLN 103 -13.155 -13.933 -36.922 1.00 0.00 ATOM 802 N ALA 104 -13.811 -14.846 -37.654 1.00 0.00 ATOM 803 CA ALA 104 -13.633 -14.894 -39.102 1.00 0.00 ATOM 804 CB ALA 104 -14.292 -16.160 -39.719 1.00 0.00 ATOM 805 O ALA 104 -13.562 -13.090 -40.730 1.00 0.00 ATOM 806 C ALA 104 -14.172 -13.622 -39.783 1.00 0.00 ATOM 807 N ILE 105 -15.244 -13.066 -39.250 1.00 0.00 ATOM 808 CA ILE 105 -15.780 -11.857 -39.834 1.00 0.00 ATOM 809 CB ILE 105 -17.122 -11.550 -39.240 1.00 0.00 ATOM 810 CG1 ILE 105 -18.106 -12.570 -39.807 1.00 0.00 ATOM 811 CG2 ILE 105 -17.584 -10.132 -39.628 1.00 0.00 ATOM 812 CD1 ILE 105 -19.450 -12.633 -39.155 1.00 0.00 ATOM 813 O ILE 105 -14.537 -9.926 -40.505 1.00 0.00 ATOM 814 C ILE 105 -14.801 -10.707 -39.606 1.00 0.00 ATOM 815 N ALA 106 -14.196 -10.664 -38.424 1.00 0.00 ATOM 816 CA ALA 106 -13.237 -9.631 -38.128 1.00 0.00 ATOM 817 CB ALA 106 -12.952 -9.521 -36.617 1.00 0.00 ATOM 818 O ALA 106 -11.465 -8.762 -39.365 1.00 0.00 ATOM 819 C ALA 106 -11.965 -9.791 -38.902 1.00 0.00 ATOM 820 N GLN 107 -11.528 -11.039 -39.184 1.00 0.00 ATOM 821 CA GLN 107 -10.285 -11.254 -39.956 1.00 0.00 ATOM 822 CB GLN 107 -9.780 -12.684 -39.982 1.00 0.00 ATOM 823 CG GLN 107 -9.591 -13.209 -38.631 1.00 0.00 ATOM 824 CD GLN 107 -8.566 -14.283 -38.490 1.00 0.00 ATOM 825 OE1 GLN 107 -8.673 -15.094 -37.587 1.00 0.00 ATOM 826 NE2 GLN 107 -7.509 -14.245 -39.313 1.00 0.00 ATOM 827 O GLN 107 -9.381 -10.368 -41.914 1.00 0.00 ATOM 828 C GLN 107 -10.364 -10.834 -41.371 1.00 0.00 ATOM 829 N ASN 108 -11.546 -10.991 -41.959 1.00 0.00 ATOM 830 CA ASN 108 -11.763 -10.671 -43.364 1.00 0.00 ATOM 831 CB ASN 108 -12.734 -11.676 -44.053 1.00 0.00 ATOM 832 CG ASN 108 -12.433 -13.189 -43.683 1.00 0.00 ATOM 833 ND2 ASN 108 -13.499 -13.982 -43.481 1.00 0.00 ATOM 834 OD1 ASN 108 -11.252 -13.609 -43.558 1.00 0.00 ATOM 835 O ASN 108 -12.267 -8.769 -44.681 1.00 0.00 ATOM 836 C ASN 108 -12.216 -9.230 -43.550 1.00 0.00 ATOM 837 N HIS 109 -12.405 -8.487 -42.456 1.00 0.00 ATOM 838 CA HIS 109 -12.800 -7.105 -42.542 1.00 0.00 ATOM 839 CB HIS 109 -13.168 -6.526 -41.170 1.00 0.00 ATOM 840 CG HIS 109 -14.002 -5.293 -41.218 1.00 0.00 ATOM 841 CD2 HIS 109 -13.698 -4.030 -41.604 1.00 0.00 ATOM 842 ND1 HIS 109 -15.313 -5.262 -40.773 1.00 0.00 ATOM 843 CE1 HIS 109 -15.775 -4.026 -40.879 1.00 0.00 ATOM 844 NE2 HIS 109 -14.817 -3.259 -41.382 1.00 0.00 ATOM 845 O HIS 109 -10.546 -6.355 -42.852 1.00 0.00 ATOM 846 C HIS 109 -11.726 -6.246 -43.174 1.00 0.00 ATOM 847 N PRO 110 -12.121 -5.373 -44.118 1.00 0.00 ATOM 848 CA PRO 110 -11.154 -4.489 -44.788 1.00 0.00 ATOM 849 CB PRO 110 -12.052 -3.596 -45.620 1.00 0.00 ATOM 850 CG PRO 110 -13.076 -4.597 -46.133 1.00 0.00 ATOM 851 CD PRO 110 -13.415 -5.377 -44.860 1.00 0.00 ATOM 852 O PRO 110 -9.034 -3.617 -44.102 1.00 0.00 ATOM 853 C PRO 110 -10.252 -3.675 -43.863 1.00 0.00 ATOM 854 N PHE 111 -10.841 -3.103 -42.805 1.00 0.00 ATOM 855 CA PHE 111 -10.099 -2.261 -41.835 1.00 0.00 ATOM 856 CB PHE 111 -11.055 -1.554 -40.896 1.00 0.00 ATOM 857 CG PHE 111 -11.823 -0.460 -41.556 1.00 0.00 ATOM 858 CD1 PHE 111 -13.016 -0.734 -42.260 1.00 0.00 ATOM 859 CD2 PHE 111 -11.367 0.868 -41.500 1.00 0.00 ATOM 860 CE1 PHE 111 -13.767 0.287 -42.903 1.00 0.00 ATOM 861 CE2 PHE 111 -12.097 1.925 -42.139 1.00 0.00 ATOM 862 CZ PHE 111 -13.307 1.627 -42.841 1.00 0.00 ATOM 863 O PHE 111 -7.975 -2.547 -40.832 1.00 0.00 ATOM 864 C PHE 111 -9.042 -3.051 -41.063 1.00 0.00 ATOM 865 N VAL 112 -9.295 -4.346 -40.861 1.00 0.00 ATOM 866 CA VAL 112 -8.362 -5.279 -40.218 1.00 0.00 ATOM 867 CB VAL 112 -9.069 -6.572 -39.697 1.00 0.00 ATOM 868 CG1 VAL 112 -8.100 -7.642 -39.268 1.00 0.00 ATOM 869 CG2 VAL 112 -9.872 -6.215 -38.524 1.00 0.00 ATOM 870 O VAL 112 -6.140 -5.645 -40.794 1.00 0.00 ATOM 871 C VAL 112 -7.275 -5.638 -41.190 1.00 0.00 ATOM 872 N GLN 113 -7.607 -5.936 -42.448 1.00 0.00 ATOM 873 CA GLN 113 -6.607 -6.251 -43.489 1.00 0.00 ATOM 874 CB GLN 113 -7.265 -6.491 -44.855 1.00 0.00 ATOM 875 CG GLN 113 -8.315 -7.584 -44.920 1.00 0.00 ATOM 876 CD GLN 113 -7.707 -8.941 -44.865 1.00 0.00 ATOM 877 OE1 GLN 113 -7.474 -9.555 -45.894 1.00 0.00 ATOM 878 NE2 GLN 113 -7.384 -9.404 -43.660 1.00 0.00 ATOM 879 O GLN 113 -4.434 -5.328 -43.876 1.00 0.00 ATOM 880 C GLN 113 -5.593 -5.094 -43.633 1.00 0.00 ATOM 881 N GLN 114 -6.080 -3.855 -43.514 1.00 0.00 ATOM 882 CA GLN 114 -5.271 -2.631 -43.528 1.00 0.00 ATOM 883 CB GLN 114 -6.154 -1.370 -43.670 1.00 0.00 ATOM 884 CG GLN 114 -5.376 -0.033 -43.685 1.00 0.00 ATOM 885 CD GLN 114 -6.281 1.177 -43.897 1.00 0.00 ATOM 886 OE1 GLN 114 -7.312 1.310 -43.260 1.00 0.00 ATOM 887 NE2 GLN 114 -5.919 2.032 -44.836 1.00 0.00 ATOM 888 O GLN 114 -3.266 -2.600 -42.220 1.00 0.00 ATOM 889 C GLN 114 -4.490 -2.566 -42.196 1.00 0.00 ATOM 890 N ALA 115 -5.205 -2.582 -41.057 1.00 0.00 ATOM 891 CA ALA 115 -4.608 -2.478 -39.698 1.00 0.00 ATOM 892 CB ALA 115 -5.689 -2.461 -38.605 1.00 0.00 ATOM 893 O ALA 115 -2.747 -3.108 -38.374 1.00 0.00 ATOM 894 C ALA 115 -3.519 -3.436 -39.277 1.00 0.00 ATOM 895 N LEU 116 -3.542 -4.640 -39.852 1.00 0.00 ATOM 896 CA LEU 116 -2.561 -5.705 -39.592 1.00 0.00 ATOM 897 CB LEU 116 -3.206 -7.090 -39.693 1.00 0.00 ATOM 898 CG LEU 116 -3.770 -7.813 -38.487 1.00 0.00 ATOM 899 CD1 LEU 116 -4.848 -7.034 -37.941 1.00 0.00 ATOM 900 CD2 LEU 116 -4.334 -9.134 -38.908 1.00 0.00 ATOM 901 O LEU 116 -0.267 -5.783 -40.246 1.00 0.00 ATOM 902 C LEU 116 -1.448 -5.683 -40.627 1.00 0.00 ATOM 903 N GLN 117 -1.851 -5.605 -41.912 1.00 0.00 ATOM 904 CA GLN 117 -0.962 -5.615 -43.090 1.00 0.00 ATOM 905 CB GLN 117 -1.730 -6.198 -44.287 1.00 0.00 ATOM 906 CG GLN 117 -1.061 -6.229 -45.663 1.00 0.00 ATOM 907 CD GLN 117 -1.531 -5.086 -46.563 1.00 0.00 ATOM 908 OE1 GLN 117 -2.726 -4.897 -46.772 1.00 0.00 ATOM 909 NE2 GLN 117 -0.588 -4.293 -47.051 1.00 0.00 ATOM 910 O GLN 117 -0.808 -3.378 -44.023 1.00 0.00 ATOM 911 C GLN 117 -0.237 -4.287 -43.394 1.00 0.00 ATOM 912 N GLN 118 1.042 -4.217 -42.984 1.00 0.00 ATOM 913 CA GLN 118 1.868 -3.011 -43.142 1.00 0.00 ATOM 914 CB GLN 118 1.626 -2.062 -41.963 1.00 0.00 ATOM 915 CG GLN 118 1.666 -2.726 -40.592 1.00 0.00 ATOM 916 CD GLN 118 0.482 -2.336 -39.781 1.00 0.00 ATOM 917 OE1 GLN 118 0.622 -1.924 -38.634 1.00 0.00 ATOM 918 NE2 GLN 118 -0.710 -2.425 -40.386 1.00 0.00 ATOM 919 O GLN 118 3.817 -2.953 -44.476 1.00 0.00 ATOM 920 C GLN 118 3.379 -3.202 -43.330 1.00 0.00 ENDMDL # command:# Prefix for output files set to decoys/ # command:# request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_1456768115.pdb -s /var/tmp/to_scwrl_1456768115.seq -o /var/tmp/from_scwrl_1456768115.pdb > /var/tmp/scwrl_1456768115.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1456768115.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 96 # copying to AlignedFragments data structure # command:Warning: Couldn't open file decoys/model2.gdt for output # fraction of real conformation used = 1.000 # GDT_score = -59.052 # GDT_score(maxd=8.000,maxw=2.900)= -60.130 # GDT_score(maxd=8.000,maxw=3.200)= -58.160 # GDT_score(maxd=8.000,maxw=3.500)= -55.941 # GDT_score(maxd=10.000,maxw=3.800)= -58.172 # GDT_score(maxd=10.000,maxw=4.000)= -56.500 # GDT_score(maxd=10.000,maxw=4.200)= -54.831 # GDT_score(maxd=12.000,maxw=4.300)= -57.835 # GDT_score(maxd=12.000,maxw=4.500)= -56.192 # GDT_score(maxd=12.000,maxw=4.700)= -54.587 # GDT_score(maxd=14.000,maxw=5.200)= -53.785 # GDT_score(maxd=14.000,maxw=5.500)= -51.593 # command:# request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_1176546056.pdb -s /var/tmp/to_scwrl_1176546056.seq -o /var/tmp/from_scwrl_1176546056.pdb > /var/tmp/scwrl_1176546056.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1176546056.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 84 # copying to AlignedFragments data structure # command:Warning: Couldn't open file decoys/model3.gdt for output # fraction of real conformation used = 1.000 # GDT_score = -27.371 # GDT_score(maxd=8.000,maxw=2.900)= -25.882 # GDT_score(maxd=8.000,maxw=3.200)= -24.677 # GDT_score(maxd=8.000,maxw=3.500)= -23.671 # GDT_score(maxd=10.000,maxw=3.800)= -26.166 # GDT_score(maxd=10.000,maxw=4.000)= -25.505 # GDT_score(maxd=10.000,maxw=4.200)= -24.866 # GDT_score(maxd=12.000,maxw=4.300)= -27.350 # GDT_score(maxd=12.000,maxw=4.500)= -26.671 # GDT_score(maxd=12.000,maxw=4.700)= -26.049 # GDT_score(maxd=14.000,maxw=5.200)= -26.771 # GDT_score(maxd=14.000,maxw=5.500)= -25.863 # command:# request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_323028713.pdb -s /var/tmp/to_scwrl_323028713.seq -o /var/tmp/from_scwrl_323028713.pdb > /var/tmp/scwrl_323028713.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_323028713.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 84 # copying to AlignedFragments data structure # command:Warning: Couldn't open file decoys/model4.gdt for output # fraction of real conformation used = 1.000 # GDT_score = -59.483 # GDT_score(maxd=8.000,maxw=2.900)= -59.352 # GDT_score(maxd=8.000,maxw=3.200)= -57.202 # GDT_score(maxd=8.000,maxw=3.500)= -54.541 # GDT_score(maxd=10.000,maxw=3.800)= -57.447 # GDT_score(maxd=10.000,maxw=4.000)= -55.625 # GDT_score(maxd=10.000,maxw=4.200)= -53.881 # GDT_score(maxd=12.000,maxw=4.300)= -57.379 # GDT_score(maxd=12.000,maxw=4.500)= -55.665 # GDT_score(maxd=12.000,maxw=4.700)= -54.026 # GDT_score(maxd=14.000,maxw=5.200)= -53.573 # GDT_score(maxd=14.000,maxw=5.500)= -51.364 # command:# request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_1128746809.pdb -s /var/tmp/to_scwrl_1128746809.seq -o /var/tmp/from_scwrl_1128746809.pdb > /var/tmp/scwrl_1128746809.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1128746809.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 88 # copying to AlignedFragments data structure # command:Warning: Couldn't open file decoys/model5.gdt for output # fraction of real conformation used = 1.000 # GDT_score = -55.819 # GDT_score(maxd=8.000,maxw=2.900)= -56.864 # GDT_score(maxd=8.000,maxw=3.200)= -54.464 # GDT_score(maxd=8.000,maxw=3.500)= -51.859 # GDT_score(maxd=10.000,maxw=3.800)= -54.464 # GDT_score(maxd=10.000,maxw=4.000)= -52.823 # GDT_score(maxd=10.000,maxw=4.200)= -51.248 # GDT_score(maxd=12.000,maxw=4.300)= -54.388 # GDT_score(maxd=12.000,maxw=4.500)= -52.840 # GDT_score(maxd=12.000,maxw=4.700)= -51.332 # GDT_score(maxd=14.000,maxw=5.200)= -50.829 # GDT_score(maxd=14.000,maxw=5.500)= -48.657 # command:# request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_394305478.pdb -s /var/tmp/to_scwrl_394305478.seq -o /var/tmp/from_scwrl_394305478.pdb > /var/tmp/scwrl_394305478.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_394305478.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 T0360.try1-opt2.pdb looking for model 1 # Found a chain break before 91 # copying to AlignedFragments data structure # command:Warning: Couldn't open file decoys/try1.gdt for output # fraction of real conformation used = 1.000 # GDT_score = -54.957 # GDT_score(maxd=8.000,maxw=2.900)= -57.276 # GDT_score(maxd=8.000,maxw=3.200)= -54.329 # GDT_score(maxd=8.000,maxw=3.500)= -51.474 # GDT_score(maxd=10.000,maxw=3.800)= -54.252 # GDT_score(maxd=10.000,maxw=4.000)= -52.459 # GDT_score(maxd=10.000,maxw=4.200)= -50.791 # GDT_score(maxd=12.000,maxw=4.300)= -54.078 # GDT_score(maxd=12.000,maxw=4.500)= -52.437 # GDT_score(maxd=12.000,maxw=4.700)= -50.881 # GDT_score(maxd=14.000,maxw=5.200)= -50.394 # GDT_score(maxd=14.000,maxw=5.500)= -48.341 # command:# Prefix for output files set to # command:Warning: Couldn't open file T0360.try1-real.pdb for output Error: Couldn't open file T0360.try1-real.pdb for output superimposing iter= 0 total_weight= 1384 rmsd (weighted)= 12.7729 (unweighted)= 16.0546 superimposing iter= 1 total_weight= 4236.06 rmsd (weighted)= 4.43494 (unweighted)= 16.8067 superimposing iter= 2 total_weight= 2847.87 rmsd (weighted)= 2.24556 (unweighted)= 17.2974 superimposing iter= 3 total_weight= 1871.77 rmsd (weighted)= 1.50799 (unweighted)= 17.4424 superimposing iter= 4 total_weight= 1340.55 rmsd (weighted)= 1.22229 (unweighted)= 17.4611 superimposing iter= 5 total_weight= 1112.8 rmsd (weighted)= 1.09196 (unweighted)= 17.4554 EXPDTA T0360.try1-opt2.pdb MODEL 1 REMARK 44 REMARK 44 model 1 is called T0360.try1-opt2.pdb ATOM 1 N MET A 1 -28.551 3.295 -54.983 1.00 0.00 ATOM 2 CA MET A 1 -28.117 2.042 -54.320 1.00 0.00 ATOM 3 CB MET A 1 -26.633 1.795 -54.564 1.00 0.00 ATOM 4 CG MET A 1 -26.121 0.559 -53.845 1.00 0.00 ATOM 5 SD MET A 1 -24.347 0.309 -53.995 1.00 0.00 ATOM 6 CE MET A 1 -24.220 -0.116 -55.757 1.00 0.00 ATOM 7 O MET A 1 -27.965 3.153 -52.209 1.00 0.00 ATOM 8 C MET A 1 -28.352 2.156 -52.820 1.00 0.00 ATOM 9 N THR A 2 -28.959 1.102 -52.247 1.00 0.00 ATOM 10 CA THR A 2 -29.133 1.040 -50.798 1.00 0.00 ATOM 11 CB THR A 2 -29.946 -0.211 -50.472 1.00 0.00 ATOM 12 CG2 THR A 2 -30.024 -0.400 -48.938 1.00 0.00 ATOM 13 OG1 THR A 2 -31.279 -0.024 -50.970 1.00 0.00 ATOM 14 O THR A 2 -27.533 1.699 -49.145 1.00 0.00 ATOM 15 C THR A 2 -27.761 0.979 -50.111 1.00 0.00 ATOM 16 N GLN A 3 -26.851 0.166 -50.617 1.00 0.00 ATOM 17 CA GLN A 3 -25.530 0.046 -49.982 1.00 0.00 ATOM 18 CB GLN A 3 -24.724 -1.100 -50.639 1.00 0.00 ATOM 19 CG GLN A 3 -25.381 -2.440 -50.462 1.00 0.00 ATOM 20 CD GLN A 3 -24.609 -3.538 -51.187 1.00 0.00 ATOM 21 OE1 GLN A 3 -24.525 -3.553 -52.418 1.00 0.00 ATOM 22 NE2 GLN A 3 -24.033 -4.463 -50.419 1.00 0.00 ATOM 23 O GLN A 3 -24.154 1.822 -49.085 1.00 0.00 ATOM 24 C GLN A 3 -24.767 1.373 -50.063 1.00 0.00 ATOM 25 N GLU A 4 -24.863 2.054 -51.196 1.00 0.00 ATOM 26 CA GLU A 4 -24.127 3.305 -51.335 1.00 0.00 ATOM 27 CB GLU A 4 -24.132 3.685 -52.807 1.00 0.00 ATOM 28 CG GLU A 4 -25.313 4.352 -53.305 1.00 0.00 ATOM 29 CD GLU A 4 -25.128 4.720 -54.793 1.00 0.00 ATOM 30 OE1 GLU A 4 -24.209 4.150 -55.440 1.00 0.00 ATOM 31 OE2 GLU A 4 -25.893 5.542 -55.305 1.00 0.00 ATOM 32 O GLU A 4 -24.019 5.186 -49.769 1.00 0.00 ATOM 33 C GLU A 4 -24.723 4.374 -50.396 1.00 0.00 ATOM 34 N THR A 5 -26.057 4.394 -50.253 1.00 0.00 ATOM 35 CA THR A 5 -26.697 5.323 -49.366 1.00 0.00 ATOM 36 CB THR A 5 -28.257 5.299 -49.608 1.00 0.00 ATOM 37 CG2 THR A 5 -28.940 6.243 -48.707 1.00 0.00 ATOM 38 OG1 THR A 5 -28.354 5.720 -51.036 1.00 0.00 ATOM 39 O THR A 5 -26.145 5.867 -47.087 1.00 0.00 ATOM 40 C THR A 5 -26.318 4.986 -47.925 1.00 0.00 ATOM 41 N ALA A 6 -26.187 3.685 -47.638 1.00 0.00 ATOM 42 CA ALA A 6 -25.769 3.256 -46.326 1.00 0.00 ATOM 43 CB ALA A 6 -25.932 1.764 -46.186 1.00 0.00 ATOM 44 O ALA A 6 -24.080 4.211 -44.896 1.00 0.00 ATOM 45 C ALA A 6 -24.337 3.754 -45.986 1.00 0.00 ATOM 46 N LEU A 7 -23.394 3.662 -46.939 1.00 0.00 ATOM 47 CA LEU A 7 -22.004 4.146 -46.760 1.00 0.00 ATOM 48 CB LEU A 7 -21.110 3.871 -47.975 1.00 0.00 ATOM 49 CG LEU A 7 -20.877 2.368 -48.154 1.00 0.00 ATOM 50 CD1 LEU A 7 -20.211 2.046 -49.529 1.00 0.00 ATOM 51 CD2 LEU A 7 -20.042 1.693 -46.975 1.00 0.00 ATOM 52 O LEU A 7 -21.272 6.154 -45.648 1.00 0.00 ATOM 53 C LEU A 7 -22.010 5.654 -46.503 1.00 0.00 ATOM 54 N GLY A 8 -22.850 6.369 -47.250 1.00 0.00 ATOM 55 CA GLY A 8 -22.956 7.807 -47.065 1.00 0.00 ATOM 56 O GLY A 8 -22.850 9.093 -45.045 1.00 0.00 ATOM 57 C GLY A 8 -23.413 8.178 -45.664 1.00 0.00 ATOM 58 N ALA A 9 -24.426 7.436 -45.178 1.00 0.00 ATOM 59 CA ALA A 9 -24.971 7.617 -43.830 1.00 0.00 ATOM 60 CB ALA A 9 -26.237 6.799 -43.645 1.00 0.00 ATOM 61 O ALA A 9 -23.806 7.859 -41.706 1.00 0.00 ATOM 62 C ALA A 9 -23.944 7.233 -42.764 1.00 0.00 ATOM 63 N ALA A 10 -23.185 6.181 -43.047 1.00 0.00 ATOM 64 CA ALA A 10 -22.186 5.756 -42.085 1.00 0.00 ATOM 65 CB ALA A 10 -21.522 4.448 -42.535 1.00 0.00 ATOM 66 O ALA A 10 -20.664 7.099 -40.794 1.00 0.00 ATOM 67 C ALA A 10 -21.091 6.808 -41.916 1.00 0.00 ATOM 68 N LEU A 11 -20.664 7.362 -43.025 1.00 0.00 ATOM 69 CA LEU A 11 -19.631 8.377 -42.992 1.00 0.00 ATOM 70 CB LEU A 11 -19.225 8.766 -44.429 1.00 0.00 ATOM 71 CG LEU A 11 -18.650 7.639 -45.292 1.00 0.00 ATOM 72 CD1 LEU A 11 -18.316 8.159 -46.683 1.00 0.00 ATOM 73 CD2 LEU A 11 -17.404 7.068 -44.633 1.00 0.00 ATOM 74 O LEU A 11 -19.380 10.209 -41.474 1.00 0.00 ATOM 75 C LEU A 11 -20.114 9.630 -42.251 1.00 0.00 ATOM 76 N LYS A 12 -21.342 10.055 -42.561 1.00 0.00 ATOM 77 CA LYS A 12 -21.908 11.212 -41.855 1.00 0.00 ATOM 78 CB LYS A 12 -23.237 11.556 -42.414 1.00 0.00 ATOM 79 CG LYS A 12 -23.751 12.932 -41.906 1.00 0.00 ATOM 80 CD LYS A 12 -25.040 13.304 -42.634 1.00 0.00 ATOM 81 CE LYS A 12 -25.524 14.690 -42.260 1.00 0.00 ATOM 82 NZ LYS A 12 -26.962 14.862 -42.650 1.00 0.00 ATOM 83 O LYS A 12 -21.618 11.839 -39.559 1.00 0.00 ATOM 84 C LYS A 12 -21.988 10.974 -40.355 1.00 0.00 ATOM 85 N SER A 13 -22.479 9.789 -39.962 1.00 0.00 ATOM 86 CA SER A 13 -22.606 9.452 -38.551 1.00 0.00 ATOM 87 CB SER A 13 -23.324 8.152 -38.372 1.00 0.00 ATOM 88 OG SER A 13 -24.668 8.241 -38.758 1.00 0.00 ATOM 89 O SER A 13 -21.067 9.951 -36.771 1.00 0.00 ATOM 90 C SER A 13 -21.239 9.423 -37.875 1.00 0.00 ATOM 91 N ALA A 14 -20.266 8.818 -38.548 1.00 0.00 ATOM 92 CA ALA A 14 -18.914 8.726 -38.014 1.00 0.00 ATOM 93 CB ALA A 14 -18.029 7.840 -38.887 1.00 0.00 ATOM 94 O ALA A 14 -17.617 10.398 -36.891 1.00 0.00 ATOM 95 C ALA A 14 -18.293 10.108 -37.879 1.00 0.00 ATOM 96 N VAL A 15 -18.520 10.958 -38.877 1.00 0.00 ATOM 97 CA VAL A 15 -17.972 12.311 -38.858 1.00 0.00 ATOM 98 CB VAL A 15 -18.254 13.038 -40.189 1.00 0.00 ATOM 99 CG1 VAL A 15 -17.928 14.526 -40.058 1.00 0.00 ATOM 100 CG2 VAL A 15 -17.408 12.417 -41.293 1.00 0.00 ATOM 101 O VAL A 15 -17.847 13.787 -36.969 1.00 0.00 ATOM 102 C VAL A 15 -18.564 13.092 -37.690 1.00 0.00 ATOM 103 N GLN A 16 -19.847 12.959 -37.533 1.00 0.00 ATOM 104 CA GLN A 16 -20.514 13.667 -36.443 1.00 0.00 ATOM 105 CB GLN A 16 -22.033 13.512 -36.546 1.00 0.00 ATOM 106 CG GLN A 16 -22.800 14.274 -35.485 1.00 0.00 ATOM 107 CD GLN A 16 -22.571 15.770 -35.572 1.00 0.00 ATOM 108 OE1 GLN A 16 -22.790 16.381 -36.620 1.00 0.00 ATOM 109 NE2 GLN A 16 -22.132 16.367 -34.474 1.00 0.00 ATOM 110 O GLN A 16 -19.843 13.959 -34.174 1.00 0.00 ATOM 111 C GLN A 16 -20.032 13.184 -35.081 1.00 0.00 ATOM 112 N THR A 17 -19.791 11.859 -34.982 1.00 0.00 ATOM 113 CA THR A 17 -19.342 11.296 -33.695 1.00 0.00 ATOM 114 CB THR A 17 -19.699 9.773 -33.662 1.00 0.00 ATOM 115 CG2 THR A 17 -21.209 9.561 -33.657 1.00 0.00 ATOM 116 OG1 THR A 17 -19.131 9.168 -34.829 1.00 0.00 ATOM 117 O THR A 17 -17.403 11.065 -32.331 1.00 0.00 ATOM 118 C THR A 17 -17.848 11.446 -33.416 1.00 0.00 ATOM 119 N MET A 18 -17.081 11.912 -34.382 1.00 0.00 ATOM 120 CA MET A 18 -15.637 12.029 -34.311 1.00 0.00 ATOM 121 CB MET A 18 -15.084 12.632 -35.605 1.00 0.00 ATOM 122 CG MET A 18 -15.190 11.715 -36.812 1.00 0.00 ATOM 123 SD MET A 18 -14.266 10.182 -36.605 1.00 0.00 ATOM 124 CE MET A 18 -12.584 10.792 -36.645 1.00 0.00 ATOM 125 O MET A 18 -14.362 12.693 -32.374 1.00 0.00 ATOM 126 C MET A 18 -15.304 12.939 -33.129 1.00 0.00 ATOM 127 N SER A 19 -16.106 13.982 -32.964 1.00 0.00 ATOM 128 CA SER A 19 -15.907 14.945 -31.893 1.00 0.00 ATOM 129 CB SER A 19 -16.859 16.132 -32.057 1.00 0.00 ATOM 130 OG SER A 19 -16.672 17.082 -31.021 1.00 0.00 ATOM 131 O SER A 19 -15.355 14.525 -29.597 1.00 0.00 ATOM 132 C SER A 19 -16.180 14.387 -30.500 1.00 0.00 ATOM 133 N LYS A 20 -17.321 13.779 -30.304 1.00 0.00 ATOM 134 CA LYS A 20 -17.694 13.197 -29.020 1.00 0.00 ATOM 135 CB LYS A 20 -19.123 12.651 -29.053 1.00 0.00 ATOM 136 CG LYS A 20 -20.197 13.723 -29.130 1.00 0.00 ATOM 137 CD LYS A 20 -21.587 13.111 -29.166 1.00 0.00 ATOM 138 CE LYS A 20 -22.660 14.186 -29.248 1.00 0.00 ATOM 139 NZ LYS A 20 -24.028 13.599 -29.317 1.00 0.00 ATOM 140 O LYS A 20 -16.352 12.027 -27.426 1.00 0.00 ATOM 141 C LYS A 20 -16.728 12.108 -28.597 1.00 0.00 ATOM 142 N LYS A 21 -16.320 11.254 -29.535 1.00 0.00 ATOM 143 CA LYS A 21 -15.397 10.169 -29.218 1.00 0.00 ATOM 144 CB LYS A 21 -15.189 9.271 -30.439 1.00 0.00 ATOM 145 CG LYS A 21 -14.327 8.049 -30.171 1.00 0.00 ATOM 146 CD LYS A 21 -14.239 7.155 -31.398 1.00 0.00 ATOM 147 CE LYS A 21 -13.357 5.945 -31.137 1.00 0.00 ATOM 148 NZ LYS A 21 -13.243 5.072 -32.337 1.00 0.00 ATOM 149 O LYS A 21 -13.414 10.134 -27.868 1.00 0.00 ATOM 150 C LYS A 21 -14.022 10.688 -28.779 1.00 0.00 ATOM 151 N LYS A 22 -13.559 11.733 -29.438 1.00 0.00 ATOM 152 CA LYS A 22 -12.260 12.332 -29.117 1.00 0.00 ATOM 153 CB LYS A 22 -11.968 13.514 -30.043 1.00 0.00 ATOM 154 CG LYS A 22 -10.624 14.179 -29.795 1.00 0.00 ATOM 155 CD LYS A 22 -10.369 15.297 -30.793 1.00 0.00 ATOM 156 CE LYS A 22 -9.047 15.995 -30.515 1.00 0.00 ATOM 157 NZ LYS A 22 -8.795 17.109 -31.472 1.00 0.00 ATOM 158 O LYS A 22 -11.347 12.579 -26.918 1.00 0.00 ATOM 159 C LYS A 22 -12.277 12.830 -27.681 1.00 0.00 ATOM 160 N GLN A 23 -13.339 13.532 -27.312 1.00 0.00 ATOM 161 CA GLN A 23 -13.449 14.053 -25.960 1.00 0.00 ATOM 162 CB GLN A 23 -14.715 14.899 -25.813 1.00 0.00 ATOM 163 CG GLN A 23 -14.666 16.225 -26.552 1.00 0.00 ATOM 164 CD GLN A 23 -15.977 16.983 -26.478 1.00 0.00 ATOM 165 OE1 GLN A 23 -16.966 16.480 -25.945 1.00 0.00 ATOM 166 NE2 GLN A 23 -15.988 18.198 -27.014 1.00 0.00 ATOM 167 O GLN A 23 -12.827 12.943 -23.925 1.00 0.00 ATOM 168 C GLN A 23 -13.466 12.895 -24.974 1.00 0.00 ATOM 169 N THR A 24 -14.217 11.832 -25.303 1.00 0.00 ATOM 170 CA THR A 24 -14.316 10.664 -24.454 1.00 0.00 ATOM 171 CB THR A 24 -15.285 9.615 -25.032 1.00 0.00 ATOM 172 CG2 THR A 24 -15.369 8.406 -24.115 1.00 0.00 ATOM 173 OG1 THR A 24 -16.591 10.190 -25.164 1.00 0.00 ATOM 174 O THR A 24 -12.638 9.575 -23.157 1.00 0.00 ATOM 175 C THR A 24 -12.974 9.990 -24.258 1.00 0.00 ATOM 176 N GLU A 25 -12.206 9.868 -25.352 1.00 0.00 ATOM 177 CA GLU A 25 -10.906 9.227 -25.283 1.00 0.00 ATOM 178 CB GLU A 25 -10.255 9.235 -26.668 1.00 0.00 ATOM 179 CG GLU A 25 -8.906 8.538 -26.723 1.00 0.00 ATOM 180 CD GLU A 25 -8.307 8.536 -28.116 1.00 0.00 ATOM 181 OE1 GLU A 25 -8.955 9.070 -29.041 1.00 0.00 ATOM 182 OE2 GLU A 25 -7.190 8.002 -28.282 1.00 0.00 ATOM 183 O GLU A 25 -9.304 9.341 -23.500 1.00 0.00 ATOM 184 C GLU A 25 -9.993 9.956 -24.315 1.00 0.00 ATOM 185 N MET A 26 -9.990 11.275 -24.413 1.00 0.00 ATOM 186 CA MET A 26 -9.170 12.090 -23.545 1.00 0.00 ATOM 187 CB MET A 26 -9.350 13.573 -23.874 1.00 0.00 ATOM 188 CG MET A 26 -8.766 13.986 -25.215 1.00 0.00 ATOM 189 SD MET A 26 -6.984 13.723 -25.308 1.00 0.00 ATOM 190 CE MET A 26 -6.398 14.961 -24.153 1.00 0.00 ATOM 191 O MET A 26 -8.682 11.772 -21.210 1.00 0.00 ATOM 192 C MET A 26 -9.550 11.873 -22.080 1.00 0.00 ATOM 193 N ILE A 27 -10.851 11.797 -21.812 1.00 0.00 ATOM 194 CA ILE A 27 -11.342 11.605 -20.450 1.00 0.00 ATOM 195 CB ILE A 27 -12.879 11.671 -20.390 1.00 0.00 ATOM 196 CG1 ILE A 27 -13.365 13.088 -20.698 1.00 0.00 ATOM 197 CG2 ILE A 27 -13.374 11.283 -19.006 1.00 0.00 ATOM 198 CD1 ILE A 27 -14.858 13.187 -20.922 1.00 0.00 ATOM 199 O ILE A 27 -10.485 10.116 -18.766 1.00 0.00 ATOM 200 C ILE A 27 -10.882 10.243 -19.926 1.00 0.00 ATOM 201 N ALA A 28 -10.918 9.252 -20.787 1.00 0.00 ATOM 202 CA ALA A 28 -10.493 7.910 -20.387 1.00 0.00 ATOM 203 CB ALA A 28 -10.778 6.925 -21.497 1.00 0.00 ATOM 204 O ALA A 28 -8.551 7.381 -19.073 1.00 0.00 ATOM 205 C ALA A 28 -8.996 7.927 -20.087 1.00 0.00 ATOM 206 N ASP A 29 -8.208 8.537 -20.939 1.00 0.00 ATOM 207 CA ASP A 29 -6.761 8.606 -20.685 1.00 0.00 ATOM 208 CB ASP A 29 -6.073 9.333 -21.842 1.00 0.00 ATOM 209 CG ASP A 29 -4.562 9.334 -21.712 1.00 0.00 ATOM 210 OD1 ASP A 29 -3.965 8.238 -21.717 1.00 0.00 ATOM 211 OD2 ASP A 29 -3.976 10.431 -21.604 1.00 0.00 ATOM 212 O ASP A 29 -5.673 8.931 -18.570 1.00 0.00 ATOM 213 C ASP A 29 -6.512 9.342 -19.371 1.00 0.00 ATOM 214 N HIS A 30 -7.241 10.430 -19.177 1.00 0.00 ATOM 215 CA HIS A 30 -7.124 11.218 -17.953 1.00 0.00 ATOM 216 CB HIS A 30 -8.044 12.440 -18.017 1.00 0.00 ATOM 217 CG HIS A 30 -7.955 13.326 -16.814 1.00 0.00 ATOM 218 CD2 HIS A 30 -8.816 13.622 -15.677 1.00 0.00 ATOM 219 ND1 HIS A 30 -6.865 14.127 -16.558 1.00 0.00 ATOM 220 CE1 HIS A 30 -7.076 14.802 -15.412 1.00 0.00 ATOM 221 NE2 HIS A 30 -8.245 14.504 -14.880 1.00 0.00 ATOM 222 O HIS A 30 -6.856 10.430 -15.702 1.00 0.00 ATOM 223 C HIS A 30 -7.501 10.362 -16.745 1.00 0.00 ATOM 224 N ILE A 31 -8.547 9.546 -16.891 1.00 0.00 ATOM 225 CA ILE A 31 -8.996 8.675 -15.816 1.00 0.00 ATOM 226 CB ILE A 31 -10.408 9.056 -15.332 1.00 0.00 ATOM 227 CG1 ILE A 31 -10.430 10.503 -14.840 1.00 0.00 ATOM 228 CG2 ILE A 31 -10.842 8.151 -14.189 1.00 0.00 ATOM 229 CD1 ILE A 31 -11.818 11.021 -14.526 1.00 0.00 ATOM 230 O ILE A 31 -9.956 6.848 -17.028 1.00 0.00 ATOM 231 C ILE A 31 -9.008 7.260 -16.360 1.00 0.00 ATOM 232 N TYR A 32 -7.922 6.511 -16.118 1.00 0.00 ATOM 233 CA TYR A 32 -7.790 5.132 -16.585 1.00 0.00 ATOM 234 CB TYR A 32 -6.415 4.609 -16.144 1.00 0.00 ATOM 235 CG TYR A 32 -6.203 3.146 -16.515 1.00 0.00 ATOM 236 CD1 TYR A 32 -5.780 2.785 -17.740 1.00 0.00 ATOM 237 CD2 TYR A 32 -6.486 2.107 -15.656 1.00 0.00 ATOM 238 CE1 TYR A 32 -5.573 1.453 -18.101 1.00 0.00 ATOM 239 CE2 TYR A 32 -6.257 0.782 -15.991 1.00 0.00 ATOM 240 CZ TYR A 32 -5.784 0.490 -17.224 1.00 0.00 ATOM 241 OH TYR A 32 -5.570 -0.865 -17.530 1.00 0.00 ATOM 242 O TYR A 32 -9.207 4.230 -14.877 1.00 0.00 ATOM 243 C TYR A 32 -8.899 4.223 -16.065 1.00 0.00 ATOM 244 N GLY A 33 -9.445 3.381 -17.034 1.00 0.00 ATOM 245 CA GLY A 33 -10.546 2.461 -16.763 1.00 0.00 ATOM 246 O GLY A 33 -9.323 0.758 -17.910 1.00 0.00 ATOM 247 C GLY A 33 -10.159 1.024 -17.052 1.00 0.00 ATOM 248 N LYS A 34 -10.840 0.112 -16.352 1.00 0.00 ATOM 249 CA LYS A 34 -10.582 -1.315 -16.520 1.00 0.00 ATOM 250 CB LYS A 34 -11.403 -2.071 -15.405 1.00 0.00 ATOM 251 CG LYS A 34 -11.126 -1.610 -13.986 1.00 0.00 ATOM 252 CD LYS A 34 -11.986 -2.355 -12.981 1.00 0.00 ATOM 253 CE LYS A 34 -11.687 -1.897 -11.564 1.00 0.00 ATOM 254 NZ LYS A 34 -12.519 -2.615 -10.561 1.00 0.00 ATOM 255 O LYS A 34 -10.434 -2.848 -18.368 1.00 0.00 ATOM 256 C LYS A 34 -10.905 -1.798 -17.922 1.00 0.00 ATOM 257 N TYR A 35 -11.745 -1.044 -18.623 1.00 0.00 ATOM 258 CA TYR A 35 -12.113 -1.432 -19.976 1.00 0.00 ATOM 259 CB TYR A 35 -13.856 -0.990 -19.636 1.00 0.00 ATOM 260 CG TYR A 35 -13.887 0.508 -19.939 1.00 0.00 ATOM 261 CD1 TYR A 35 -14.043 0.947 -21.258 1.00 0.00 ATOM 262 CD2 TYR A 35 -13.821 1.426 -18.923 1.00 0.00 ATOM 263 CE1 TYR A 35 -14.154 2.328 -21.508 1.00 0.00 ATOM 264 CE2 TYR A 35 -13.925 2.798 -19.178 1.00 0.00 ATOM 265 CZ TYR A 35 -14.093 3.240 -20.475 1.00 0.00 ATOM 266 OH TYR A 35 -14.183 4.614 -20.680 1.00 0.00 ATOM 267 O TYR A 35 -11.276 -1.223 -22.201 1.00 0.00 ATOM 268 C TYR A 35 -11.070 -1.024 -21.005 1.00 0.00 ATOM 269 N ASP A 36 -9.951 -0.466 -20.546 1.00 0.00 ATOM 270 CA ASP A 36 -8.914 -0.027 -21.474 1.00 0.00 ATOM 271 CB ASP A 36 -8.926 1.493 -21.644 1.00 0.00 ATOM 272 CG ASP A 36 -10.187 1.994 -22.320 1.00 0.00 ATOM 273 OD1 ASP A 36 -10.435 1.601 -23.480 1.00 0.00 ATOM 274 OD2 ASP A 36 -10.927 2.778 -21.691 1.00 0.00 ATOM 275 O ASP A 36 -7.168 -0.374 -19.866 1.00 0.00 ATOM 276 C ASP A 36 -7.514 -0.407 -21.048 1.00 0.00 ATOM 277 N VAL A 37 -6.713 -0.762 -22.051 1.00 0.00 ATOM 278 CA VAL A 37 -5.307 -1.104 -21.859 1.00 0.00 ATOM 279 CB VAL A 37 -4.935 -2.412 -22.581 1.00 0.00 ATOM 280 CG1 VAL A 37 -3.470 -2.748 -22.351 1.00 0.00 ATOM 281 CG2 VAL A 37 -5.780 -3.566 -22.063 1.00 0.00 ATOM 282 O VAL A 37 -4.481 0.194 -23.691 1.00 0.00 ATOM 283 C VAL A 37 -4.630 0.119 -22.468 1.00 0.00 ATOM 284 N PHE A 38 -4.544 1.235 -21.575 1.00 0.00 ATOM 285 CA PHE A 38 -3.989 2.474 -22.084 1.00 0.00 ATOM 286 CB PHE A 38 -2.823 2.189 -23.033 1.00 0.00 ATOM 287 CG PHE A 38 -1.659 1.504 -22.375 1.00 0.00 ATOM 288 CD1 PHE A 38 -1.433 0.152 -22.569 1.00 0.00 ATOM 289 CD2 PHE A 38 -0.791 2.210 -21.563 1.00 0.00 ATOM 290 CE1 PHE A 38 -0.362 -0.477 -21.964 1.00 0.00 ATOM 291 CE2 PHE A 38 0.280 1.581 -20.957 1.00 0.00 ATOM 292 CZ PHE A 38 0.496 0.242 -21.156 1.00 0.00 ATOM 293 O PHE A 38 -6.230 3.283 -22.230 1.00 0.00 ATOM 294 C PHE A 38 -5.148 3.137 -22.809 1.00 0.00 ATOM 295 N LYS A 39 -4.957 3.536 -24.062 1.00 0.00 ATOM 296 CA LYS A 39 -6.051 4.137 -24.810 1.00 0.00 ATOM 297 CB LYS A 39 -5.522 5.212 -25.761 1.00 0.00 ATOM 298 CG LYS A 39 -4.897 6.408 -25.061 1.00 0.00 ATOM 299 CD LYS A 39 -4.390 7.431 -26.064 1.00 0.00 ATOM 300 CE LYS A 39 -3.716 8.601 -25.364 1.00 0.00 ATOM 301 NZ LYS A 39 -3.238 9.626 -26.334 1.00 0.00 ATOM 302 O LYS A 39 -7.761 3.399 -26.317 1.00 0.00 ATOM 303 C LYS A 39 -6.788 3.085 -25.638 1.00 0.00 ATOM 304 N ARG A 40 -6.337 1.837 -25.567 1.00 0.00 ATOM 305 CA ARG A 40 -6.955 0.771 -26.352 1.00 0.00 ATOM 306 CB ARG A 40 -5.839 -0.051 -27.110 1.00 0.00 ATOM 307 CG ARG A 40 -4.554 0.632 -27.531 1.00 0.00 ATOM 308 CD ARG A 40 -3.786 -0.253 -28.475 1.00 0.00 ATOM 309 NE ARG A 40 -2.422 0.129 -28.744 1.00 0.00 ATOM 310 CZ ARG A 40 -1.278 -0.423 -28.358 1.00 0.00 ATOM 311 NH1 ARG A 40 -1.328 -1.481 -27.557 1.00 0.00 ATOM 312 NH2 ARG A 40 -0.099 0.079 -28.738 1.00 0.00 ATOM 313 O ARG A 40 -8.023 -0.467 -24.585 1.00 0.00 ATOM 314 C ARG A 40 -8.140 0.076 -25.685 1.00 0.00 ATOM 315 N PHE A 41 -9.306 0.078 -26.355 1.00 0.00 ATOM 316 CA PHE A 41 -10.486 -0.572 -25.786 1.00 0.00 ATOM 317 CB PHE A 41 -11.751 -0.222 -26.570 1.00 0.00 ATOM 318 CG PHE A 41 -13.012 -0.800 -25.982 1.00 0.00 ATOM 319 CD1 PHE A 41 -13.412 -0.462 -24.702 1.00 0.00 ATOM 320 CD2 PHE A 41 -13.794 -1.665 -26.725 1.00 0.00 ATOM 321 CE1 PHE A 41 -14.571 -0.989 -24.159 1.00 0.00 ATOM 322 CE2 PHE A 41 -14.954 -2.202 -26.188 1.00 0.00 ATOM 323 CZ PHE A 41 -15.341 -1.855 -24.906 1.00 0.00 ATOM 324 O PHE A 41 -9.967 -2.696 -26.791 1.00 0.00 ATOM 325 C PHE A 41 -10.348 -2.096 -25.776 1.00 0.00 ATOM 326 N LYS A 42 -10.648 -2.707 -24.631 1.00 0.00 ATOM 327 CA LYS A 42 -10.628 -4.164 -24.516 1.00 0.00 ATOM 328 CB LYS A 42 -10.478 -4.578 -23.051 1.00 0.00 ATOM 329 CG LYS A 42 -9.132 -4.221 -22.440 1.00 0.00 ATOM 330 CD LYS A 42 -9.061 -4.634 -20.980 1.00 0.00 ATOM 331 CE LYS A 42 -7.708 -4.299 -20.375 1.00 0.00 ATOM 332 NZ LYS A 42 -7.633 -4.676 -18.936 1.00 0.00 ATOM 333 O LYS A 42 -12.943 -3.929 -25.082 1.00 0.00 ATOM 334 C LYS A 42 -11.959 -4.670 -25.073 1.00 0.00 ATOM 335 N PRO A 43 -11.990 -5.924 -25.525 1.00 0.00 ATOM 336 CA PRO A 43 -13.234 -6.522 -25.996 1.00 0.00 ATOM 337 CB PRO A 43 -12.835 -7.944 -26.398 1.00 0.00 ATOM 338 CG PRO A 43 -11.376 -7.852 -26.696 1.00 0.00 ATOM 339 CD PRO A 43 -10.808 -6.876 -25.703 1.00 0.00 ATOM 340 O PRO A 43 -13.837 -6.778 -23.654 1.00 0.00 ATOM 341 C PRO A 43 -14.212 -6.465 -24.803 1.00 0.00 ATOM 342 N LEU A 44 -15.457 -6.095 -25.075 1.00 0.00 ATOM 343 CA LEU A 44 -16.454 -5.888 -24.016 1.00 0.00 ATOM 344 CB LEU A 44 -17.427 -4.772 -24.406 1.00 0.00 ATOM 345 CG LEU A 44 -18.532 -4.454 -23.398 1.00 0.00 ATOM 346 CD1 LEU A 44 -17.945 -3.875 -22.121 1.00 0.00 ATOM 347 CD2 LEU A 44 -19.510 -3.440 -23.974 1.00 0.00 ATOM 348 O LEU A 44 -17.956 -7.659 -24.523 1.00 0.00 ATOM 349 C LEU A 44 -17.370 -7.040 -23.650 1.00 0.00 ATOM 350 N ALA A 45 -17.497 -7.315 -22.351 1.00 0.00 ATOM 351 CA ALA A 45 -18.386 -8.386 -21.883 1.00 0.00 ATOM 352 CB ALA A 45 -18.542 -8.331 -20.372 1.00 0.00 ATOM 353 O ALA A 45 -20.365 -7.191 -22.533 1.00 0.00 ATOM 354 C ALA A 45 -19.763 -8.259 -22.510 1.00 0.00 ATOM 355 N LEU A 46 -20.324 -9.351 -23.018 1.00 0.00 ATOM 356 CA LEU A 46 -21.697 -9.337 -23.470 1.00 0.00 ATOM 357 CB LEU A 46 -22.165 -10.746 -23.840 1.00 0.00 ATOM 358 CG LEU A 46 -21.406 -11.436 -24.974 1.00 0.00 ATOM 359 CD1 LEU A 46 -21.883 -12.870 -25.147 1.00 0.00 ATOM 360 CD2 LEU A 46 -21.623 -10.701 -26.289 1.00 0.00 ATOM 361 O LEU A 46 -22.755 -9.278 -21.314 1.00 0.00 ATOM 362 C LEU A 46 -22.711 -8.816 -22.456 1.00 0.00 ATOM 363 N GLY A 47 -23.552 -7.825 -22.882 1.00 0.00 ATOM 364 CA GLY A 47 -24.560 -7.258 -22.006 1.00 0.00 ATOM 365 O GLY A 47 -24.743 -5.772 -20.127 1.00 0.00 ATOM 366 C GLY A 47 -24.028 -6.218 -21.036 1.00 0.00 ATOM 367 N ILE A 48 -22.640 -5.988 -21.084 1.00 0.00 ATOM 368 CA ILE A 48 -22.013 -5.024 -20.194 1.00 0.00 ATOM 369 CB ILE A 48 -20.572 -4.705 -20.634 1.00 0.00 ATOM 370 CG1 ILE A 48 -19.831 -3.954 -19.526 1.00 0.00 ATOM 371 CG2 ILE A 48 -20.577 -3.838 -21.885 1.00 0.00 ATOM 372 CD1 ILE A 48 -19.628 -4.768 -18.267 1.00 0.00 ATOM 373 O ILE A 48 -22.631 -2.994 -19.065 1.00 0.00 ATOM 374 C ILE A 48 -22.717 -3.659 -20.095 1.00 0.00 ATOM 375 N ASP A 49 -23.397 -3.233 -21.153 1.00 0.00 ATOM 376 CA ASP A 49 -24.087 -1.940 -21.114 1.00 0.00 ATOM 377 CB ASP A 49 -24.921 -1.740 -22.380 1.00 0.00 ATOM 378 CG ASP A 49 -24.068 -1.463 -23.602 1.00 0.00 ATOM 379 OD1 ASP A 49 -22.858 -1.203 -23.436 1.00 0.00 ATOM 380 OD2 ASP A 49 -24.610 -1.506 -24.727 1.00 0.00 ATOM 381 O ASP A 49 -25.090 -0.836 -19.235 1.00 0.00 ATOM 382 C ASP A 49 -25.022 -1.859 -19.903 1.00 0.00 ATOM 383 N GLN A 50 -25.740 -2.940 -19.618 1.00 0.00 ATOM 384 CA GLN A 50 -26.654 -2.939 -18.482 1.00 0.00 ATOM 385 CB GLN A 50 -27.424 -4.260 -18.412 1.00 0.00 ATOM 386 CG GLN A 50 -28.453 -4.438 -19.516 1.00 0.00 ATOM 387 CD GLN A 50 -29.139 -5.787 -19.461 1.00 0.00 ATOM 388 OE1 GLN A 50 -28.821 -6.622 -18.614 1.00 0.00 ATOM 389 NE2 GLN A 50 -30.087 -6.006 -20.365 1.00 0.00 ATOM 390 O GLN A 50 -26.430 -2.159 -16.231 1.00 0.00 ATOM 391 C GLN A 50 -25.910 -2.763 -17.161 1.00 0.00 ATOM 392 N ASP A 51 -24.710 -3.317 -17.092 1.00 0.00 ATOM 393 CA ASP A 51 -23.839 -3.165 -15.925 1.00 0.00 ATOM 394 CB ASP A 51 -22.573 -4.021 -16.075 1.00 0.00 ATOM 395 CG ASP A 51 -22.851 -5.507 -15.935 1.00 0.00 ATOM 396 OD1 ASP A 51 -23.938 -5.852 -15.437 1.00 0.00 ATOM 397 OD2 ASP A 51 -21.994 -6.333 -16.304 1.00 0.00 ATOM 398 O ASP A 51 -23.508 -1.209 -14.651 1.00 0.00 ATOM 399 C ASP A 51 -23.460 -1.713 -15.760 1.00 0.00 ATOM 400 N LEU A 52 -23.097 -1.054 -16.870 1.00 0.00 ATOM 401 CA LEU A 52 -22.720 0.351 -16.821 1.00 0.00 ATOM 402 CB LEU A 52 -22.109 0.784 -18.156 1.00 0.00 ATOM 403 CG LEU A 52 -20.734 0.182 -18.456 1.00 0.00 ATOM 404 CD1 LEU A 52 -20.247 0.697 -19.804 1.00 0.00 ATOM 405 CD2 LEU A 52 -19.747 0.562 -17.358 1.00 0.00 ATOM 406 O LEU A 52 -23.774 2.219 -15.664 1.00 0.00 ATOM 407 C LEU A 52 -23.920 1.263 -16.460 1.00 0.00 ATOM 408 N ILE A 53 -25.072 0.931 -17.009 1.00 0.00 ATOM 409 CA ILE A 53 -26.289 1.671 -16.688 1.00 0.00 ATOM 410 CB ILE A 53 -27.568 1.194 -17.499 1.00 0.00 ATOM 411 CG1 ILE A 53 -27.399 1.468 -18.999 1.00 0.00 ATOM 412 CG2 ILE A 53 -28.880 1.869 -16.861 1.00 0.00 ATOM 413 CD1 ILE A 53 -28.294 0.614 -19.861 1.00 0.00 ATOM 414 O ILE A 53 -26.875 2.485 -14.522 1.00 0.00 ATOM 415 C ILE A 53 -26.613 1.514 -15.193 1.00 0.00 ATOM 416 N ALA A 54 -26.633 0.290 -14.678 1.00 0.00 ATOM 417 CA ALA A 54 -26.949 0.169 -13.286 1.00 0.00 ATOM 418 CB ALA A 54 -27.063 -1.316 -12.903 1.00 0.00 ATOM 419 O ALA A 54 -26.339 1.551 -11.460 1.00 0.00 ATOM 420 C ALA A 54 -25.925 0.915 -12.444 1.00 0.00 ATOM 421 N ALA A 55 -24.649 0.901 -12.801 1.00 0.00 ATOM 422 CA ALA A 55 -23.594 1.562 -12.012 1.00 0.00 ATOM 423 CB ALA A 55 -22.228 1.157 -12.545 1.00 0.00 ATOM 424 O ALA A 55 -23.348 3.773 -11.114 1.00 0.00 ATOM 425 C ALA A 55 -23.632 3.084 -12.095 1.00 0.00 ATOM 426 N LEU A 56 -23.968 3.597 -13.262 1.00 0.00 ATOM 427 CA LEU A 56 -24.023 5.035 -13.486 1.00 0.00 ATOM 428 CB LEU A 56 -23.013 5.426 -14.561 1.00 0.00 ATOM 429 CG LEU A 56 -21.574 5.358 -14.067 1.00 0.00 ATOM 430 CD1 LEU A 56 -20.640 5.638 -15.233 1.00 0.00 ATOM 431 CD2 LEU A 56 -21.371 6.384 -12.938 1.00 0.00 ATOM 432 O LEU A 56 -25.630 5.486 -15.204 1.00 0.00 ATOM 433 C LEU A 56 -25.418 5.376 -13.996 1.00 0.00 ATOM 434 N PRO A 57 -26.380 5.512 -13.057 1.00 0.00 ATOM 435 CA PRO A 57 -27.784 5.690 -13.401 1.00 0.00 ATOM 436 CB PRO A 57 -28.496 5.716 -12.048 1.00 0.00 ATOM 437 CG PRO A 57 -27.455 6.184 -11.086 1.00 0.00 ATOM 438 CD PRO A 57 -26.156 5.596 -11.560 1.00 0.00 ATOM 439 O PRO A 57 -29.159 6.956 -14.933 1.00 0.00 ATOM 440 C PRO A 57 -28.068 6.887 -14.335 1.00 0.00 ATOM 441 N GLN A 58 -27.119 7.834 -14.443 1.00 0.00 ATOM 442 CA GLN A 58 -27.302 8.983 -15.312 1.00 0.00 ATOM 443 CB GLN A 58 -26.248 10.053 -15.013 1.00 0.00 ATOM 444 CG GLN A 58 -26.382 10.687 -13.639 1.00 0.00 ATOM 445 CD GLN A 58 -25.299 11.714 -13.363 1.00 0.00 ATOM 446 OE1 GLN A 58 -24.464 11.993 -14.224 1.00 0.00 ATOM 447 NE2 GLN A 58 -25.312 12.276 -12.162 1.00 0.00 ATOM 448 O GLN A 58 -27.701 9.338 -17.635 1.00 0.00 ATOM 449 C GLN A 58 -27.186 8.628 -16.784 1.00 0.00 ATOM 450 N TYR A 59 -26.502 7.536 -17.095 1.00 0.00 ATOM 451 CA TYR A 59 -26.279 7.166 -18.496 1.00 0.00 ATOM 452 CB TYR A 59 -25.056 6.263 -18.625 1.00 0.00 ATOM 453 CG TYR A 59 -23.731 6.980 -18.693 1.00 0.00 ATOM 454 CD1 TYR A 59 -23.305 7.812 -17.660 1.00 0.00 ATOM 455 CD2 TYR A 59 -22.888 6.805 -19.790 1.00 0.00 ATOM 456 CE1 TYR A 59 -22.072 8.445 -17.714 1.00 0.00 ATOM 457 CE2 TYR A 59 -21.654 7.435 -19.853 1.00 0.00 ATOM 458 CZ TYR A 59 -21.254 8.249 -18.813 1.00 0.00 ATOM 459 OH TYR A 59 -20.020 8.841 -18.865 1.00 0.00 ATOM 460 O TYR A 59 -28.223 5.751 -18.399 1.00 0.00 ATOM 461 C TYR A 59 -27.469 6.446 -19.096 1.00 0.00 ATOM 462 N ASP A 60 -27.632 6.595 -20.395 1.00 0.00 ATOM 463 CA ASP A 60 -28.675 5.936 -21.155 1.00 0.00 ATOM 464 CB ASP A 60 -29.563 6.915 -21.923 1.00 0.00 ATOM 465 CG ASP A 60 -30.388 7.798 -21.006 1.00 0.00 ATOM 466 OD1 ASP A 60 -31.053 7.254 -20.101 1.00 0.00 ATOM 467 OD2 ASP A 60 -30.368 9.032 -21.194 1.00 0.00 ATOM 468 O ASP A 60 -26.795 5.132 -22.393 1.00 0.00 ATOM 469 C ASP A 60 -27.984 5.013 -22.147 1.00 0.00 ATOM 470 N ALA A 61 -28.733 3.960 -22.700 1.00 0.00 ATOM 471 CA ALA A 61 -28.222 3.089 -23.751 1.00 0.00 ATOM 472 CB ALA A 61 -29.295 2.108 -24.196 1.00 0.00 ATOM 473 O ALA A 61 -26.736 3.635 -25.506 1.00 0.00 ATOM 474 C ALA A 61 -27.778 3.903 -24.962 1.00 0.00 ATOM 475 N ALA A 62 -28.503 4.942 -25.346 1.00 0.00 ATOM 476 CA ALA A 62 -28.072 5.824 -26.424 1.00 0.00 ATOM 477 CB ALA A 62 -29.153 6.832 -26.761 1.00 0.00 ATOM 478 O ALA A 62 -25.859 6.644 -26.853 1.00 0.00 ATOM 479 C ALA A 62 -26.755 6.526 -26.036 1.00 0.00 ATOM 480 N LEU A 63 -26.653 6.992 -24.790 1.00 0.00 ATOM 481 CA LEU A 63 -25.423 7.586 -24.294 1.00 0.00 ATOM 482 CB LEU A 63 -25.610 8.087 -22.861 1.00 0.00 ATOM 483 CG LEU A 63 -26.510 9.311 -22.682 1.00 0.00 ATOM 484 CD1 LEU A 63 -26.761 9.582 -21.206 1.00 0.00 ATOM 485 CD2 LEU A 63 -25.864 10.546 -23.290 1.00 0.00 ATOM 486 O LEU A 63 -23.144 6.903 -24.689 1.00 0.00 ATOM 487 C LEU A 63 -24.277 6.569 -24.297 1.00 0.00 ATOM 488 N ILE A 64 -24.549 5.361 -23.812 1.00 0.00 ATOM 489 CA ILE A 64 -23.497 4.322 -23.748 1.00 0.00 ATOM 490 CB ILE A 64 -23.933 3.171 -22.826 1.00 0.00 ATOM 491 CG1 ILE A 64 -24.061 3.685 -21.388 1.00 0.00 ATOM 492 CG2 ILE A 64 -22.938 2.061 -22.914 1.00 0.00 ATOM 493 CD1 ILE A 64 -24.754 2.738 -20.424 1.00 0.00 ATOM 494 O ILE A 64 -21.956 3.698 -25.399 1.00 0.00 ATOM 495 C ILE A 64 -23.123 3.870 -25.117 1.00 0.00 ATOM 496 N ALA A 65 -24.101 3.632 -25.976 1.00 0.00 ATOM 497 CA ALA A 65 -23.846 3.254 -27.366 1.00 0.00 ATOM 498 CB ALA A 65 -25.149 2.859 -28.046 1.00 0.00 ATOM 499 O ALA A 65 -22.633 4.115 -29.245 1.00 0.00 ATOM 500 C ALA A 65 -23.154 4.358 -28.155 1.00 0.00 ATOM 501 N ARG A 66 -23.127 5.634 -27.583 1.00 0.00 ATOM 502 CA ARG A 66 -22.448 6.745 -28.239 1.00 0.00 ATOM 503 CB ARG A 66 -22.880 8.068 -27.625 1.00 0.00 ATOM 504 CG ARG A 66 -22.199 9.288 -28.252 1.00 0.00 ATOM 505 CD ARG A 66 -22.798 10.604 -27.738 1.00 0.00 ATOM 506 NE ARG A 66 -22.710 10.737 -26.294 1.00 0.00 ATOM 507 CZ ARG A 66 -21.628 11.132 -25.629 1.00 0.00 ATOM 508 NH1 ARG A 66 -20.504 11.451 -26.277 1.00 0.00 ATOM 509 NH2 ARG A 66 -21.672 11.220 -24.306 1.00 0.00 ATOM 510 O ARG A 66 -20.219 6.885 -29.111 1.00 0.00 ATOM 511 C ARG A 66 -20.944 6.541 -28.174 1.00 0.00 ATOM 512 N VAL A 67 -20.484 5.978 -27.061 1.00 0.00 ATOM 513 CA VAL A 67 -19.069 5.718 -26.855 1.00 0.00 ATOM 514 CB VAL A 67 -18.805 6.123 -25.395 1.00 0.00 ATOM 515 CG1 VAL A 67 -17.472 5.625 -24.953 1.00 0.00 ATOM 516 CG2 VAL A 67 -18.781 7.638 -25.192 1.00 0.00 ATOM 517 O VAL A 67 -17.642 4.057 -27.841 1.00 0.00 ATOM 518 C VAL A 67 -18.709 4.288 -27.271 1.00 0.00 ATOM 519 N LEU A 68 -19.605 3.346 -26.986 1.00 0.00 ATOM 520 CA LEU A 68 -19.364 1.928 -27.357 1.00 0.00 ATOM 521 CB LEU A 68 -20.379 1.029 -26.661 1.00 0.00 ATOM 522 CG LEU A 68 -20.075 0.773 -25.183 1.00 0.00 ATOM 523 CD1 LEU A 68 -21.320 0.238 -24.511 1.00 0.00 ATOM 524 CD2 LEU A 68 -18.900 -0.198 -25.056 1.00 0.00 ATOM 525 O LEU A 68 -18.656 0.897 -29.425 1.00 0.00 ATOM 526 C LEU A 68 -19.430 1.673 -28.856 1.00 0.00 ATOM 527 N ALA A 69 -20.332 2.358 -29.523 1.00 0.00 ATOM 528 CA ALA A 69 -20.464 2.202 -30.950 1.00 0.00 ATOM 529 CB ALA A 69 -21.679 2.889 -31.475 1.00 0.00 ATOM 530 O ALA A 69 -18.689 2.068 -32.503 1.00 0.00 ATOM 531 C ALA A 69 -19.205 2.730 -31.619 1.00 0.00 ATOM 532 N ASN A 70 -18.661 3.861 -31.154 1.00 0.00 ATOM 533 CA ASN A 70 -17.414 4.364 -31.747 1.00 0.00 ATOM 534 CB ASN A 70 -17.123 5.793 -31.296 1.00 0.00 ATOM 535 CG ASN A 70 -17.894 6.815 -32.109 1.00 0.00 ATOM 536 ND2 ASN A 70 -19.005 7.316 -31.561 1.00 0.00 ATOM 537 OD1 ASN A 70 -17.565 7.053 -33.273 1.00 0.00 ATOM 538 O ASN A 70 -15.346 3.238 -32.240 1.00 0.00 ATOM 539 C ASN A 70 -16.241 3.441 -31.411 1.00 0.00 ATOM 540 N HIS A 71 -16.265 2.855 -30.206 1.00 0.00 ATOM 541 CA HIS A 71 -15.220 1.927 -29.793 1.00 0.00 ATOM 542 CB HIS A 71 -15.319 1.406 -28.444 1.00 0.00 ATOM 543 CG HIS A 71 -14.825 2.388 -27.429 1.00 0.00 ATOM 544 CD2 HIS A 71 -14.473 3.692 -27.535 1.00 0.00 ATOM 545 ND1 HIS A 71 -14.651 2.051 -26.103 1.00 0.00 ATOM 546 CE1 HIS A 71 -14.210 3.103 -25.436 1.00 0.00 ATOM 547 NE2 HIS A 71 -14.094 4.113 -26.280 1.00 0.00 ATOM 548 O HIS A 71 -14.315 0.089 -31.071 1.00 0.00 ATOM 549 C HIS A 71 -15.303 0.570 -30.526 1.00 0.00 ATOM 550 N CYS A 72 -16.483 -0.028 -30.592 1.00 0.00 ATOM 551 CA CYS A 72 -16.574 -1.343 -31.212 1.00 0.00 ATOM 552 CB CYS A 72 -17.930 -1.988 -30.919 1.00 0.00 ATOM 553 SG CYS A 72 -18.207 -2.385 -29.176 1.00 0.00 ATOM 554 O CYS A 72 -15.744 -2.242 -33.283 1.00 0.00 ATOM 555 C CYS A 72 -16.249 -1.280 -32.707 1.00 0.00 ATOM 556 N ARG A 73 -16.551 -0.150 -33.323 1.00 0.00 ATOM 557 CA ARG A 73 -16.302 0.007 -34.750 1.00 0.00 ATOM 558 CB ARG A 73 -17.319 0.998 -35.317 1.00 0.00 ATOM 559 CG ARG A 73 -18.766 0.557 -35.170 1.00 0.00 ATOM 560 CD ARG A 73 -19.715 1.545 -35.829 1.00 0.00 ATOM 561 NE ARG A 73 -21.113 1.150 -35.672 1.00 0.00 ATOM 562 CZ ARG A 73 -22.147 1.878 -36.083 1.00 0.00 ATOM 563 NH1 ARG A 73 -23.383 1.438 -35.899 1.00 0.00 ATOM 564 NH2 ARG A 73 -21.941 3.044 -36.680 1.00 0.00 ATOM 565 O ARG A 73 -14.647 0.673 -36.341 1.00 0.00 ATOM 566 C ARG A 73 -14.917 0.492 -35.151 1.00 0.00 ATOM 567 N ARG A 74 -14.040 0.700 -34.175 1.00 0.00 ATOM 568 CA ARG A 74 -12.688 1.158 -34.473 1.00 0.00 ATOM 569 CB ARG A 74 -12.016 1.701 -33.211 1.00 0.00 ATOM 570 CG ARG A 74 -10.633 2.287 -33.446 1.00 0.00 ATOM 571 CD ARG A 74 -10.041 2.841 -32.161 1.00 0.00 ATOM 572 NE ARG A 74 -8.682 3.340 -32.353 1.00 0.00 ATOM 573 CZ ARG A 74 -7.933 3.859 -31.387 1.00 0.00 ATOM 574 NH1 ARG A 74 -6.707 4.287 -31.655 1.00 0.00 ATOM 575 NH2 ARG A 74 -8.411 3.948 -30.153 1.00 0.00 ATOM 576 O ARG A 74 -12.102 -1.162 -34.641 1.00 0.00 ATOM 577 C ARG A 74 -11.866 -0.008 -35.015 1.00 0.00 ATOM 578 N PRO A 75 -10.918 0.300 -35.903 1.00 0.00 ATOM 579 CA PRO A 75 -10.066 -0.717 -36.509 1.00 0.00 ATOM 580 CB PRO A 75 -9.082 0.085 -37.364 1.00 0.00 ATOM 581 CG PRO A 75 -9.829 1.325 -37.726 1.00 0.00 ATOM 582 CD PRO A 75 -10.633 1.697 -36.513 1.00 0.00 ATOM 583 O PRO A 75 -9.176 -2.765 -35.638 1.00 0.00 ATOM 584 C PRO A 75 -9.302 -1.553 -35.482 1.00 0.00 ATOM 585 N ARG A 76 -8.824 -0.910 -34.440 1.00 0.00 ATOM 586 CA ARG A 76 -8.080 -1.648 -33.416 1.00 0.00 ATOM 587 CB ARG A 76 -7.740 -0.821 -32.228 1.00 0.00 ATOM 588 CG ARG A 76 -6.786 0.319 -32.536 1.00 0.00 ATOM 589 CD ARG A 76 -5.390 -0.172 -32.890 1.00 0.00 ATOM 590 NE ARG A 76 -4.488 0.960 -33.060 1.00 0.00 ATOM 591 CZ ARG A 76 -4.423 1.700 -34.165 1.00 0.00 ATOM 592 NH1 ARG A 76 -5.209 1.419 -35.202 1.00 0.00 ATOM 593 NH2 ARG A 76 -3.588 2.733 -34.225 1.00 0.00 ATOM 594 O ARG A 76 -8.531 -3.807 -32.477 1.00 0.00 ATOM 595 C ARG A 76 -8.954 -2.675 -32.697 1.00 0.00 ATOM 596 N TYR A 77 -10.177 -2.293 -32.352 1.00 0.00 ATOM 597 CA TYR A 77 -11.095 -3.205 -31.672 1.00 0.00 ATOM 598 CB TYR A 77 -12.382 -2.491 -31.272 1.00 0.00 ATOM 599 CG TYR A 77 -13.311 -3.352 -30.443 1.00 0.00 ATOM 600 CD1 TYR A 77 -13.054 -3.579 -29.086 1.00 0.00 ATOM 601 CD2 TYR A 77 -14.443 -3.946 -31.012 1.00 0.00 ATOM 602 CE1 TYR A 77 -13.900 -4.377 -28.309 1.00 0.00 ATOM 603 CE2 TYR A 77 -15.301 -4.754 -30.245 1.00 0.00 ATOM 604 CZ TYR A 77 -15.021 -4.959 -28.892 1.00 0.00 ATOM 605 OH TYR A 77 -15.856 -5.738 -28.122 1.00 0.00 ATOM 606 O TYR A 77 -11.355 -5.547 -32.137 1.00 0.00 ATOM 607 C TYR A 77 -11.410 -4.398 -32.576 1.00 0.00 ATOM 608 N LEU A 78 -11.777 -4.119 -33.830 1.00 0.00 ATOM 609 CA LEU A 78 -12.098 -5.176 -34.797 1.00 0.00 ATOM 610 CB LEU A 78 -12.552 -4.574 -36.116 1.00 0.00 ATOM 611 CG LEU A 78 -13.942 -3.930 -36.017 1.00 0.00 ATOM 612 CD1 LEU A 78 -14.234 -3.137 -37.270 1.00 0.00 ATOM 613 CD2 LEU A 78 -14.994 -5.008 -35.805 1.00 0.00 ATOM 614 O LEU A 78 -11.101 -7.317 -35.215 1.00 0.00 ATOM 615 C LEU A 78 -10.920 -6.112 -35.050 1.00 0.00 ATOM 616 N LYS A 79 -9.689 -5.571 -35.086 1.00 0.00 ATOM 617 CA LYS A 79 -8.500 -6.384 -35.300 1.00 0.00 ATOM 618 CB LYS A 79 -7.263 -5.499 -35.460 1.00 0.00 ATOM 619 CG LYS A 79 -7.225 -4.714 -36.760 1.00 0.00 ATOM 620 CD LYS A 79 -5.976 -3.854 -36.851 1.00 0.00 ATOM 621 CE LYS A 79 -5.938 -3.069 -38.152 1.00 0.00 ATOM 622 NZ LYS A 79 -4.732 -2.200 -38.242 1.00 0.00 ATOM 623 O LYS A 79 -7.744 -8.422 -34.250 1.00 0.00 ATOM 624 C LYS A 79 -8.278 -7.320 -34.099 1.00 0.00 ATOM 625 N ALA A 80 -8.696 -6.881 -32.912 1.00 0.00 ATOM 626 CA ALA A 80 -8.534 -7.687 -31.703 1.00 0.00 ATOM 627 CB ALA A 80 -8.737 -6.830 -30.463 1.00 0.00 ATOM 628 O ALA A 80 -9.369 -9.741 -30.797 1.00 0.00 ATOM 629 C ALA A 80 -9.530 -8.838 -31.626 1.00 0.00 ATOM 630 N LEU A 81 -10.578 -8.813 -32.452 1.00 0.00 ATOM 631 CA LEU A 81 -11.571 -9.894 -32.400 1.00 0.00 ATOM 632 CB LEU A 81 -12.890 -9.439 -33.026 1.00 0.00 ATOM 633 CG LEU A 81 -13.606 -8.278 -32.330 1.00 0.00 ATOM 634 CD1 LEU A 81 -14.878 -7.907 -33.078 1.00 0.00 ATOM 635 CD2 LEU A 81 -13.983 -8.656 -30.907 1.00 0.00 ATOM 636 O LEU A 81 -11.611 -11.440 -34.247 1.00 0.00 ATOM 637 C LEU A 81 -11.150 -11.161 -33.144 1.00 0.00 ATOM 638 N ALA A 82 -10.261 -11.919 -32.521 1.00 0.00 ATOM 639 CA ALA A 82 -9.737 -13.158 -33.085 1.00 0.00 ATOM 640 CB ALA A 82 -8.216 -13.151 -33.064 1.00 0.00 ATOM 641 O ALA A 82 -10.586 -14.099 -31.040 1.00 0.00 ATOM 642 C ALA A 82 -10.288 -14.300 -32.220 1.00 0.00 ATOM 643 N ARG A 83 -10.490 -15.465 -32.828 1.00 0.00 ATOM 644 CA ARG A 83 -11.009 -16.633 -32.115 1.00 0.00 ATOM 645 CB ARG A 83 -10.972 -17.870 -33.015 1.00 0.00 ATOM 646 CG ARG A 83 -11.584 -19.111 -32.389 1.00 0.00 ATOM 647 CD ARG A 83 -11.502 -20.302 -33.330 1.00 0.00 ATOM 648 NE ARG A 83 -12.172 -21.479 -32.782 1.00 0.00 ATOM 649 CZ ARG A 83 -12.285 -22.640 -33.421 1.00 0.00 ATOM 650 NH1 ARG A 83 -12.912 -23.656 -32.844 1.00 0.00 ATOM 651 NH2 ARG A 83 -11.771 -22.780 -34.635 1.00 0.00 ATOM 652 O ARG A 83 -8.936 -16.890 -30.947 1.00 0.00 ATOM 653 C ARG A 83 -10.160 -16.902 -30.884 1.00 0.00 ATOM 654 N GLY A 84 -10.823 -17.118 -29.752 1.00 0.00 ATOM 655 CA GLY A 84 -10.107 -17.383 -28.517 1.00 0.00 ATOM 656 O GLY A 84 -9.369 -16.315 -26.510 1.00 0.00 ATOM 657 C GLY A 84 -9.737 -16.167 -27.690 1.00 0.00 ATOM 658 N GLY A 85 -9.897 -14.940 -28.269 1.00 0.00 ATOM 659 CA GLY A 85 -9.609 -13.713 -27.538 1.00 0.00 ATOM 660 O GLY A 85 -11.759 -13.971 -26.521 1.00 0.00 ATOM 661 C GLY A 85 -10.633 -13.493 -26.428 1.00 0.00 ATOM 662 N LYS A 86 -10.252 -12.754 -25.389 1.00 0.00 ATOM 663 CA LYS A 86 -11.145 -12.550 -24.240 1.00 0.00 ATOM 664 CB LYS A 86 -10.344 -12.806 -22.889 1.00 0.00 ATOM 665 CG LYS A 86 -9.157 -13.768 -22.967 1.00 0.00 ATOM 666 CD LYS A 86 -9.577 -15.226 -23.089 1.00 0.00 ATOM 667 CE LYS A 86 -8.414 -16.231 -23.224 1.00 0.00 ATOM 668 NZ LYS A 86 -7.539 -16.243 -22.046 1.00 0.00 ATOM 669 O LYS A 86 -11.402 -10.193 -24.497 1.00 0.00 ATOM 670 C LYS A 86 -11.937 -11.264 -24.195 1.00 0.00 ATOM 671 N ARG A 87 -13.191 -11.379 -23.768 1.00 0.00 ATOM 672 CA ARG A 87 -14.040 -10.201 -23.556 1.00 0.00 ATOM 673 CB ARG A 87 -15.470 -10.479 -24.024 1.00 0.00 ATOM 674 CG ARG A 87 -15.612 -10.631 -25.529 1.00 0.00 ATOM 675 CD ARG A 87 -17.054 -10.911 -25.922 1.00 0.00 ATOM 676 NE ARG A 87 -17.211 -11.049 -27.367 1.00 0.00 ATOM 677 CZ ARG A 87 -17.346 -10.026 -28.206 1.00 0.00 ATOM 678 NH1 ARG A 87 -17.483 -10.249 -29.506 1.00 0.00 ATOM 679 NH2 ARG A 87 -17.345 -8.784 -27.743 1.00 0.00 ATOM 680 O ARG A 87 -13.947 -10.967 -21.273 1.00 0.00 ATOM 681 C ARG A 87 -13.953 -9.987 -22.024 1.00 0.00 ATOM 682 N PHE A 88 -13.956 -8.729 -21.573 1.00 0.00 ATOM 683 CA PHE A 88 -13.836 -8.382 -20.157 1.00 0.00 ATOM 684 CB PHE A 88 -12.493 -7.640 -19.895 1.00 0.00 ATOM 685 CG PHE A 88 -11.302 -8.330 -20.464 1.00 0.00 ATOM 686 CD1 PHE A 88 -10.580 -9.233 -19.693 1.00 0.00 ATOM 687 CD2 PHE A 88 -10.926 -8.117 -21.793 1.00 0.00 ATOM 688 CE1 PHE A 88 -9.484 -9.900 -20.234 1.00 0.00 ATOM 689 CE2 PHE A 88 -9.828 -8.776 -22.336 1.00 0.00 ATOM 690 CZ PHE A 88 -9.115 -9.671 -21.557 1.00 0.00 ATOM 691 O PHE A 88 -15.547 -6.704 -20.349 1.00 0.00 ATOM 692 C PHE A 88 -14.971 -7.506 -19.615 1.00 0.00 ATOM 693 N ASP A 89 -15.434 -8.013 -18.561 1.00 0.00 ATOM 694 CA ASP A 89 -16.478 -7.192 -17.970 1.00 0.00 ATOM 695 CB ASP A 89 -17.359 -8.031 -17.042 1.00 0.00 ATOM 696 CG ASP A 89 -16.605 -8.554 -15.836 1.00 0.00 ATOM 697 OD1 ASP A 89 -15.463 -8.100 -15.607 1.00 0.00 ATOM 698 OD2 ASP A 89 -17.155 -9.416 -15.119 1.00 0.00 ATOM 699 O ASP A 89 -14.481 -5.985 -17.277 1.00 0.00 ATOM 700 C ASP A 89 -15.712 -6.095 -17.278 1.00 0.00 ATOM 701 N LEU A 90 -16.418 -5.237 -16.572 1.00 0.00 ATOM 702 CA LEU A 90 -15.835 -4.065 -15.875 1.00 0.00 ATOM 703 CB LEU A 90 -16.885 -3.198 -15.290 1.00 0.00 ATOM 704 CG LEU A 90 -17.958 -2.675 -16.248 1.00 0.00 ATOM 705 CD1 LEU A 90 -18.919 -1.776 -15.480 1.00 0.00 ATOM 706 CD2 LEU A 90 -17.313 -1.906 -17.391 1.00 0.00 ATOM 707 O LEU A 90 -13.793 -3.836 -14.666 1.00 0.00 ATOM 708 C LEU A 90 -14.840 -4.468 -14.796 1.00 0.00 ATOM 709 N ASN A 91 -15.161 -5.509 -14.034 1.00 0.00 ATOM 710 CA ASN A 91 -14.274 -5.974 -12.968 1.00 0.00 ATOM 711 CB ASN A 91 -15.057 -6.909 -12.043 1.00 0.00 ATOM 712 CG ASN A 91 -16.163 -6.194 -11.293 1.00 0.00 ATOM 713 ND2 ASN A 91 -17.205 -6.933 -10.932 1.00 0.00 ATOM 714 OD1 ASN A 91 -16.079 -4.992 -11.040 1.00 0.00 ATOM 715 O ASN A 91 -12.226 -7.151 -12.613 1.00 0.00 ATOM 716 C ASN A 91 -13.020 -6.714 -13.434 1.00 0.00 ATOM 717 N ASN A 92 -12.684 -6.785 -14.788 1.00 0.00 ATOM 718 CA ASN A 92 -11.533 -7.498 -15.321 1.00 0.00 ATOM 719 CB ASN A 92 -10.367 -7.394 -14.339 1.00 0.00 ATOM 720 CG ASN A 92 -9.843 -5.975 -14.217 1.00 0.00 ATOM 721 ND2 ASN A 92 -9.814 -5.453 -12.998 1.00 0.00 ATOM 722 OD1 ASN A 92 -9.470 -5.352 -15.215 1.00 0.00 ATOM 723 O ASN A 92 -10.784 -9.715 -15.760 1.00 0.00 ATOM 724 C ASN A 92 -11.737 -8.997 -15.496 1.00 0.00 ATOM 725 N ARG A 93 -12.956 -9.500 -15.322 1.00 0.00 ATOM 726 CA ARG A 93 -13.194 -10.937 -15.525 1.00 0.00 ATOM 727 CB ARG A 93 -14.588 -11.342 -15.066 1.00 0.00 ATOM 728 CG ARG A 93 -14.689 -11.737 -13.609 1.00 0.00 ATOM 729 CD ARG A 93 -15.004 -10.547 -12.740 1.00 0.00 ATOM 730 NE ARG A 93 -15.197 -10.937 -11.336 1.00 0.00 ATOM 731 CZ ARG A 93 -14.844 -10.163 -10.291 1.00 0.00 ATOM 732 NH1 ARG A 93 -14.278 -8.976 -10.494 1.00 0.00 ATOM 733 NH2 ARG A 93 -15.088 -10.537 -9.050 1.00 0.00 ATOM 734 O ARG A 93 -13.954 -10.406 -17.732 1.00 0.00 ATOM 735 C ARG A 93 -13.387 -11.229 -17.016 1.00 0.00 ATOM 736 N PHE A 94 -12.934 -12.394 -17.476 1.00 0.00 ATOM 737 CA PHE A 94 -13.148 -12.789 -18.881 1.00 0.00 ATOM 738 CB PHE A 94 -12.293 -14.010 -19.184 1.00 0.00 ATOM 739 CG PHE A 94 -10.817 -13.716 -19.186 1.00 0.00 ATOM 740 CD1 PHE A 94 -9.908 -14.736 -18.929 1.00 0.00 ATOM 741 CD2 PHE A 94 -10.333 -12.442 -19.464 1.00 0.00 ATOM 742 CE1 PHE A 94 -8.537 -14.497 -18.947 1.00 0.00 ATOM 743 CE2 PHE A 94 -8.960 -12.192 -19.485 1.00 0.00 ATOM 744 CZ PHE A 94 -8.063 -13.224 -19.225 1.00 0.00 ATOM 745 O PHE A 94 -14.749 -14.419 -18.239 1.00 0.00 ATOM 746 C PHE A 94 -14.501 -13.453 -18.962 1.00 0.00 ATOM 747 N LYS A 95 -15.415 -12.914 -19.773 1.00 0.00 ATOM 748 CA LYS A 95 -16.797 -13.371 -19.759 1.00 0.00 ATOM 749 CB LYS A 95 -17.760 -12.269 -20.137 1.00 0.00 ATOM 750 CG LYS A 95 -18.054 -11.315 -18.968 1.00 0.00 ATOM 751 CD LYS A 95 -19.250 -11.823 -18.174 1.00 0.00 ATOM 752 CE LYS A 95 -19.023 -11.671 -16.677 1.00 0.00 ATOM 753 NZ LYS A 95 -19.306 -10.296 -16.179 1.00 0.00 ATOM 754 O LYS A 95 -18.008 -15.147 -20.825 1.00 0.00 ATOM 755 C LYS A 95 -17.106 -14.323 -20.916 1.00 0.00 ATOM 756 N GLY A 96 -16.370 -14.182 -22.009 1.00 0.00 ATOM 757 CA GLY A 96 -16.551 -15.021 -23.194 1.00 0.00 ATOM 758 O GLY A 96 -14.399 -14.164 -23.793 1.00 0.00 ATOM 759 C GLY A 96 -15.265 -15.018 -23.996 1.00 0.00 ATOM 760 N GLU A 97 -15.164 -15.966 -24.925 1.00 0.00 ATOM 761 CA GLU A 97 -14.036 -16.050 -25.839 1.00 0.00 ATOM 762 CB GLU A 97 -13.358 -17.416 -25.728 1.00 0.00 ATOM 763 CG GLU A 97 -12.688 -17.671 -24.387 1.00 0.00 ATOM 764 CD GLU A 97 -11.977 -19.008 -24.335 1.00 0.00 ATOM 765 OE1 GLU A 97 -12.021 -19.744 -25.343 1.00 0.00 ATOM 766 OE2 GLU A 97 -11.375 -19.320 -23.287 1.00 0.00 ATOM 767 O GLU A 97 -15.715 -16.359 -27.524 1.00 0.00 ATOM 768 C GLU A 97 -14.643 -15.835 -27.236 1.00 0.00 ATOM 769 N VAL A 98 -13.968 -15.042 -28.065 1.00 0.00 ATOM 770 CA VAL A 98 -14.419 -14.743 -29.425 1.00 0.00 ATOM 771 CB VAL A 98 -13.451 -13.788 -30.145 1.00 0.00 ATOM 772 CG1 VAL A 98 -13.862 -13.606 -31.598 1.00 0.00 ATOM 773 CG2 VAL A 98 -13.448 -12.424 -29.472 1.00 0.00 ATOM 774 O VAL A 98 -13.580 -16.837 -30.277 1.00 0.00 ATOM 775 C VAL A 98 -14.514 -16.034 -30.257 1.00 0.00 ATOM 776 N THR A 99 -15.639 -16.223 -30.950 1.00 0.00 ATOM 777 CA THR A 99 -15.842 -17.427 -31.761 1.00 0.00 ATOM 778 CB THR A 99 -17.335 -17.782 -31.881 1.00 0.00 ATOM 779 CG2 THR A 99 -17.955 -17.952 -30.502 1.00 0.00 ATOM 780 OG1 THR A 99 -18.024 -16.734 -32.574 1.00 0.00 ATOM 781 O THR A 99 -14.953 -16.178 -33.630 1.00 0.00 ATOM 782 C THR A 99 -15.308 -17.275 -33.194 1.00 0.00 ATOM 783 N PRO A 100 -15.280 -18.382 -33.927 1.00 0.00 ATOM 784 CA PRO A 100 -14.841 -18.335 -35.314 1.00 0.00 ATOM 785 CB PRO A 100 -14.848 -19.801 -35.753 1.00 0.00 ATOM 786 CG PRO A 100 -14.613 -20.570 -34.497 1.00 0.00 ATOM 787 CD PRO A 100 -15.366 -19.846 -33.417 1.00 0.00 ATOM 788 O PRO A 100 -15.428 -16.736 -37.013 1.00 0.00 ATOM 789 C PRO A 100 -15.825 -17.474 -36.109 1.00 0.00 ATOM 790 N GLU A 101 -17.114 -17.563 -35.787 1.00 0.00 ATOM 791 CA GLU A 101 -18.120 -16.766 -36.484 1.00 0.00 ATOM 792 CB GLU A 101 -19.528 -17.140 -36.017 1.00 0.00 ATOM 793 CG GLU A 101 -19.984 -18.518 -36.465 1.00 0.00 ATOM 794 CD GLU A 101 -21.330 -18.904 -35.882 1.00 0.00 ATOM 795 OE1 GLU A 101 -21.872 -18.123 -35.072 1.00 0.00 ATOM 796 OE2 GLU A 101 -21.843 -19.986 -36.237 1.00 0.00 ATOM 797 O GLU A 101 -18.070 -14.468 -37.164 1.00 0.00 ATOM 798 C GLU A 101 -17.910 -15.272 -36.245 1.00 0.00 ATOM 799 N GLU A 102 -17.576 -14.896 -35.014 1.00 0.00 ATOM 800 CA GLU A 102 -17.331 -13.499 -34.697 1.00 0.00 ATOM 801 CB GLU A 102 -17.181 -13.313 -33.186 1.00 0.00 ATOM 802 CG GLU A 102 -18.468 -13.520 -32.405 1.00 0.00 ATOM 803 CD GLU A 102 -18.263 -13.419 -30.906 1.00 0.00 ATOM 804 OE1 GLU A 102 -17.102 -13.247 -30.476 1.00 0.00 ATOM 805 OE2 GLU A 102 -19.262 -13.509 -30.162 1.00 0.00 ATOM 806 O GLU A 102 -16.011 -11.838 -35.804 1.00 0.00 ATOM 807 C GLU A 102 -16.075 -12.991 -35.395 1.00 0.00 ATOM 808 N GLN A 103 -15.078 -13.856 -35.526 1.00 0.00 ATOM 809 CA GLN A 103 -13.835 -13.505 -36.208 1.00 0.00 ATOM 810 CB GLN A 103 -12.824 -14.650 -36.103 1.00 0.00 ATOM 811 CG GLN A 103 -11.469 -14.339 -36.714 1.00 0.00 ATOM 812 CD GLN A 103 -10.477 -15.470 -36.536 1.00 0.00 ATOM 813 OE1 GLN A 103 -10.812 -16.523 -35.992 1.00 0.00 ATOM 814 NE2 GLN A 103 -9.248 -15.257 -36.994 1.00 0.00 ATOM 815 O GLN A 103 -13.595 -12.291 -38.240 1.00 0.00 ATOM 816 C GLN A 103 -14.108 -13.253 -37.681 1.00 0.00 ATOM 817 N ALA A 104 -14.932 -14.095 -38.349 1.00 0.00 ATOM 818 CA ALA A 104 -15.294 -13.857 -39.753 1.00 0.00 ATOM 819 CB ALA A 104 -16.156 -15.013 -40.237 1.00 0.00 ATOM 820 O ALA A 104 -15.850 -11.741 -40.813 1.00 0.00 ATOM 821 C ALA A 104 -16.072 -12.544 -39.895 1.00 0.00 ATOM 822 N ILE A 105 -16.988 -12.337 -38.975 1.00 0.00 ATOM 823 CA ILE A 105 -17.779 -11.112 -38.962 1.00 0.00 ATOM 824 CB ILE A 105 -18.816 -11.122 -37.823 1.00 0.00 ATOM 825 CG1 ILE A 105 -19.885 -12.184 -38.085 1.00 0.00 ATOM 826 CG2 ILE A 105 -19.499 -9.768 -37.711 1.00 0.00 ATOM 827 CD1 ILE A 105 -20.786 -12.450 -36.899 1.00 0.00 ATOM 828 O ILE A 105 -17.004 -8.869 -39.443 1.00 0.00 ATOM 829 C ILE A 105 -16.869 -9.886 -38.762 1.00 0.00 ATOM 830 N ALA A 106 -15.972 -9.976 -37.791 1.00 0.00 ATOM 831 CA ALA A 106 -15.089 -8.857 -37.471 1.00 0.00 ATOM 832 CB ALA A 106 -14.263 -9.183 -36.208 1.00 0.00 ATOM 833 O ALA A 106 -13.928 -7.300 -38.875 1.00 0.00 ATOM 834 C ALA A 106 -14.148 -8.484 -38.608 1.00 0.00 ATOM 835 N GLN A 107 -13.583 -9.495 -39.261 1.00 0.00 ATOM 836 CA GLN A 107 -12.660 -9.281 -40.375 1.00 0.00 ATOM 837 CB GLN A 107 -12.154 -10.620 -40.917 1.00 0.00 ATOM 838 CG GLN A 107 -11.200 -11.347 -39.983 1.00 0.00 ATOM 839 CD GLN A 107 -10.810 -12.717 -40.500 1.00 0.00 ATOM 840 OE1 GLN A 107 -11.321 -13.174 -41.523 1.00 0.00 ATOM 841 NE2 GLN A 107 -9.901 -13.378 -39.794 1.00 0.00 ATOM 842 O GLN A 107 -12.859 -7.522 -42.013 1.00 0.00 ATOM 843 C GLN A 107 -13.391 -8.498 -41.467 1.00 0.00 ATOM 844 N ASN A 108 -14.617 -8.914 -41.779 1.00 0.00 ATOM 845 CA ASN A 108 -15.390 -8.241 -42.819 1.00 0.00 ATOM 846 CB ASN A 108 -16.674 -9.009 -43.138 1.00 0.00 ATOM 847 CG ASN A 108 -16.411 -10.295 -43.899 1.00 0.00 ATOM 848 ND2 ASN A 108 -17.363 -11.218 -43.847 1.00 0.00 ATOM 849 OD1 ASN A 108 -15.362 -10.453 -44.524 1.00 0.00 ATOM 850 O ASN A 108 -15.734 -5.913 -43.258 1.00 0.00 ATOM 851 C ASN A 108 -15.799 -6.811 -42.429 1.00 0.00 ATOM 852 N HIS A 109 -16.214 -6.599 -41.181 1.00 0.00 ATOM 853 CA HIS A 109 -16.607 -5.255 -40.749 1.00 0.00 ATOM 854 CB HIS A 109 -17.148 -5.202 -39.353 1.00 0.00 ATOM 855 CG HIS A 109 -18.509 -5.813 -39.230 1.00 0.00 ATOM 856 CD2 HIS A 109 -19.132 -6.399 -38.179 1.00 0.00 ATOM 857 ND1 HIS A 109 -19.414 -5.824 -40.267 1.00 0.00 ATOM 858 CE1 HIS A 109 -20.539 -6.389 -39.862 1.00 0.00 ATOM 859 NE2 HIS A 109 -20.393 -6.745 -38.599 1.00 0.00 ATOM 860 O HIS A 109 -15.453 -3.201 -41.255 1.00 0.00 ATOM 861 C HIS A 109 -15.368 -4.349 -40.840 1.00 0.00 ATOM 862 N PRO A 110 -14.233 -4.865 -40.391 1.00 0.00 ATOM 863 CA PRO A 110 -12.977 -4.120 -40.413 1.00 0.00 ATOM 864 CB PRO A 110 -11.940 -5.058 -39.931 1.00 0.00 ATOM 865 CG PRO A 110 -12.679 -5.952 -39.010 1.00 0.00 ATOM 866 CD PRO A 110 -14.025 -6.141 -39.637 1.00 0.00 ATOM 867 O PRO A 110 -12.366 -2.550 -42.001 1.00 0.00 ATOM 868 C PRO A 110 -12.689 -3.706 -41.844 1.00 0.00 ATOM 869 N PHE A 111 -12.884 -4.557 -42.787 1.00 0.00 ATOM 870 CA PHE A 111 -12.678 -4.191 -44.188 1.00 0.00 ATOM 871 CB PHE A 111 -12.937 -5.392 -45.101 1.00 0.00 ATOM 872 CG PHE A 111 -12.689 -5.113 -46.555 1.00 0.00 ATOM 873 CD1 PHE A 111 -11.401 -5.100 -47.063 1.00 0.00 ATOM 874 CD2 PHE A 111 -13.744 -4.861 -47.415 1.00 0.00 ATOM 875 CE1 PHE A 111 -11.175 -4.843 -48.403 1.00 0.00 ATOM 876 CE2 PHE A 111 -13.516 -4.605 -48.755 1.00 0.00 ATOM 877 CZ PHE A 111 -12.239 -4.595 -49.248 1.00 0.00 ATOM 878 O PHE A 111 -13.095 -1.927 -45.008 1.00 0.00 ATOM 879 C PHE A 111 -13.551 -2.976 -44.520 1.00 0.00 ATOM 880 N VAL A 112 -14.845 -3.098 -44.267 1.00 0.00 ATOM 881 CA VAL A 112 -15.780 -2.021 -44.638 1.00 0.00 ATOM 882 CB VAL A 112 -17.242 -2.490 -44.524 1.00 0.00 ATOM 883 CG1 VAL A 112 -18.195 -1.336 -44.797 1.00 0.00 ATOM 884 CG2 VAL A 112 -17.526 -3.596 -45.527 1.00 0.00 ATOM 885 O VAL A 112 -15.774 0.339 -44.245 1.00 0.00 ATOM 886 C VAL A 112 -15.653 -0.770 -43.749 1.00 0.00 ATOM 887 N GLN A 113 -15.410 -0.954 -42.444 1.00 0.00 ATOM 888 CA GLN A 113 -15.272 0.163 -41.512 1.00 0.00 ATOM 889 CB GLN A 113 -14.960 -0.297 -40.117 1.00 0.00 ATOM 890 CG GLN A 113 -14.983 0.830 -39.110 1.00 0.00 ATOM 891 CD GLN A 113 -16.334 1.513 -39.061 1.00 0.00 ATOM 892 OE1 GLN A 113 -17.344 0.878 -38.772 1.00 0.00 ATOM 893 NE2 GLN A 113 -16.362 2.807 -39.353 1.00 0.00 ATOM 894 O GLN A 113 -14.210 2.276 -41.844 1.00 0.00 ATOM 895 C GLN A 113 -14.086 1.051 -41.910 1.00 0.00 ATOM 896 N GLN A 114 -12.967 0.446 -42.286 1.00 0.00 ATOM 897 CA GLN A 114 -11.814 1.231 -42.725 1.00 0.00 ATOM 898 CB GLN A 114 -10.619 0.336 -43.056 1.00 0.00 ATOM 899 CG GLN A 114 -9.984 -0.327 -41.843 1.00 0.00 ATOM 900 CD GLN A 114 -8.879 -1.293 -42.218 1.00 0.00 ATOM 901 OE1 GLN A 114 -8.635 -1.544 -43.399 1.00 0.00 ATOM 902 NE2 GLN A 114 -8.205 -1.838 -41.213 1.00 0.00 ATOM 903 O GLN A 114 -11.730 3.233 -44.039 1.00 0.00 ATOM 904 C GLN A 114 -12.153 2.083 -43.941 1.00 0.00 ATOM 905 N ALA A 115 -12.945 1.532 -44.848 1.00 0.00 ATOM 906 CA ALA A 115 -13.332 2.270 -46.042 1.00 0.00 ATOM 907 CB ALA A 115 -14.134 1.396 -46.993 1.00 0.00 ATOM 908 O ALA A 115 -13.903 4.604 -46.017 1.00 0.00 ATOM 909 C ALA A 115 -14.163 3.480 -45.603 1.00 0.00 ATOM 910 N LEU A 116 -15.127 3.238 -44.756 1.00 0.00 ATOM 911 CA LEU A 116 -15.961 4.311 -44.257 1.00 0.00 ATOM 912 CB LEU A 116 -17.178 3.736 -43.532 1.00 0.00 ATOM 913 CG LEU A 116 -18.294 3.160 -44.408 1.00 0.00 ATOM 914 CD1 LEU A 116 -19.260 2.393 -43.554 1.00 0.00 ATOM 915 CD2 LEU A 116 -18.996 4.282 -45.150 1.00 0.00 ATOM 916 O LEU A 116 -15.359 6.479 -43.396 1.00 0.00 ATOM 917 C LEU A 116 -15.180 5.268 -43.362 1.00 0.00 ATOM 918 N GLN A 117 -14.299 4.697 -42.567 1.00 0.00 ATOM 919 CA GLN A 117 -13.514 5.514 -41.667 1.00 0.00 ATOM 920 CB GLN A 117 -12.645 4.682 -40.721 1.00 0.00 ATOM 921 CG GLN A 117 -11.884 5.505 -39.695 1.00 0.00 ATOM 922 CD GLN A 117 -12.802 6.238 -38.736 1.00 0.00 ATOM 923 OE1 GLN A 117 -13.756 5.662 -38.213 1.00 0.00 ATOM 924 NE2 GLN A 117 -12.517 7.513 -38.505 1.00 0.00 ATOM 925 O GLN A 117 -12.346 7.596 -41.975 1.00 0.00 ATOM 926 C GLN A 117 -12.555 6.451 -42.390 1.00 0.00 ATOM 927 N GLN A 118 -11.984 5.973 -43.496 1.00 0.00 ATOM 928 CA GLN A 118 -11.028 6.747 -44.273 1.00 0.00 ATOM 929 CB GLN A 118 -10.711 5.842 -45.523 1.00 0.00 ATOM 930 CG GLN A 118 -9.627 6.595 -46.313 1.00 0.00 ATOM 931 CD GLN A 118 -9.113 5.792 -47.517 1.00 0.00 ATOM 932 OE1 GLN A 118 -9.544 4.687 -47.752 1.00 0.00 ATOM 933 NE2 GLN A 118 -8.068 6.363 -48.125 1.00 0.00 ATOM 934 O GLN A 118 -11.251 9.118 -44.682 1.00 0.00 ATOM 935 C GLN A 118 -11.673 7.968 -44.921 1.00 0.00 ATOM 936 N GLN A 119 -12.782 7.772 -45.616 1.00 0.00 ATOM 937 CA GLN A 119 -13.506 8.889 -46.200 1.00 0.00 ATOM 938 CB GLN A 119 -14.573 8.383 -47.171 1.00 0.00 ATOM 939 CG GLN A 119 -14.013 7.748 -48.433 1.00 0.00 ATOM 940 CD GLN A 119 -15.089 7.125 -49.300 1.00 0.00 ATOM 941 OE1 GLN A 119 -16.257 7.071 -48.914 1.00 0.00 ATOM 942 NE2 GLN A 119 -14.698 6.653 -50.478 1.00 0.00 ATOM 943 O GLN A 119 -14.055 10.955 -45.092 1.00 0.00 ATOM 944 C GLN A 119 -14.193 9.729 -45.114 1.00 0.00 ATOM 945 N SER A 120 -14.860 9.093 -44.156 1.00 0.00 ATOM 946 CA SER A 120 -15.526 9.906 -43.158 1.00 0.00 ATOM 947 CB SER A 120 -16.549 9.073 -42.382 1.00 0.00 ATOM 948 OG SER A 120 -15.911 8.065 -41.617 1.00 0.00 ATOM 949 O SER A 120 -14.864 11.549 -41.572 1.00 0.00 ATOM 950 C SER A 120 -14.583 10.490 -42.131 1.00 0.00 ATOM 951 N ALA A 121 -13.443 9.825 -41.853 1.00 0.00 ATOM 952 CA ALA A 121 -12.469 10.345 -40.890 1.00 0.00 ATOM 953 CB ALA A 121 -11.344 9.331 -40.747 1.00 0.00 ATOM 954 O ALA A 121 -11.668 12.571 -40.577 1.00 0.00 ATOM 955 C ALA A 121 -11.870 11.652 -41.378 1.00 0.00 ATOM 956 N GLN A 122 -11.591 11.744 -42.669 1.00 0.00 ATOM 957 CA GLN A 122 -11.038 12.966 -43.255 1.00 0.00 ATOM 958 CB GLN A 122 -10.766 12.777 -44.749 1.00 0.00 ATOM 959 CG GLN A 122 -9.598 11.851 -45.054 1.00 0.00 ATOM 960 CD GLN A 122 -9.442 11.582 -46.538 1.00 0.00 ATOM 961 OE1 GLN A 122 -10.256 12.024 -47.348 1.00 0.00 ATOM 962 NE2 GLN A 122 -8.392 10.854 -46.898 1.00 0.00 ATOM 963 O GLN A 122 -11.577 15.228 -42.706 1.00 0.00 ATOM 964 C GLN A 122 -11.991 14.142 -43.107 1.00 0.00 ATOM 965 N ALA A 123 -13.237 13.935 -43.476 1.00 0.00 ATOM 966 CA ALA A 123 -14.206 15.046 -43.412 1.00 0.00 ATOM 967 CB ALA A 123 -15.537 14.621 -44.039 1.00 0.00 ATOM 968 O ALA A 123 -14.447 16.665 -41.639 1.00 0.00 ATOM 969 C ALA A 123 -14.417 15.470 -41.957 1.00 0.00 ATOM 970 N ALA A 124 -14.559 14.482 -41.073 1.00 0.00 ATOM 971 CA ALA A 124 -14.769 14.748 -39.657 1.00 0.00 ATOM 972 CB ALA A 124 -15.039 13.441 -38.888 1.00 0.00 ATOM 973 O ALA A 124 -13.713 16.395 -38.270 1.00 0.00 ATOM 974 C ALA A 124 -13.564 15.456 -39.045 1.00 0.00 ATOM 975 N ALA A 125 -12.384 15.009 -39.408 1.00 0.00 ATOM 976 CA ALA A 125 -11.179 15.619 -38.862 1.00 0.00 ATOM 977 CB ALA A 125 -9.922 14.817 -39.294 1.00 0.00 ATOM 978 O ALA A 125 -10.741 17.955 -38.489 1.00 0.00 ATOM 979 C ALA A 125 -11.053 17.089 -39.302 1.00 0.00 ATOM 980 N GLU A 126 -11.270 17.333 -40.583 1.00 0.00 ATOM 981 CA GLU A 126 -11.176 18.681 -41.121 1.00 0.00 ATOM 982 CB GLU A 126 -11.496 18.628 -42.618 1.00 0.00 ATOM 983 CG GLU A 126 -11.305 20.009 -43.254 1.00 0.00 ATOM 984 CD GLU A 126 -11.435 19.971 -44.782 1.00 0.00 ATOM 985 OE1 GLU A 126 -12.234 19.151 -45.271 1.00 0.00 ATOM 986 OE2 GLU A 126 -10.803 20.809 -45.451 1.00 0.00 ATOM 987 O GLU A 126 -11.793 20.673 -40.013 1.00 0.00 ATOM 988 C GLU A 126 -12.186 19.607 -40.411 1.00 0.00 ATOM 989 N THR A 127 -13.426 19.196 -40.237 1.00 0.00 ATOM 990 CA THR A 127 -14.433 20.014 -39.586 1.00 0.00 ATOM 991 CB THR A 127 -15.730 19.395 -39.717 1.00 0.00 ATOM 992 CG2 THR A 127 -16.875 20.305 -39.203 1.00 0.00 ATOM 993 OG1 THR A 127 -15.984 19.270 -41.121 1.00 0.00 ATOM 994 O THR A 127 -14.181 21.298 -37.584 1.00 0.00 ATOM 995 C THR A 127 -14.090 20.204 -38.101 1.00 0.00 ATOM 996 N LEU A 128 -13.702 19.131 -37.431 1.00 0.00 ATOM 997 CA LEU A 128 -13.345 19.202 -36.013 1.00 0.00 ATOM 998 CB LEU A 128 -13.007 17.809 -35.478 1.00 0.00 ATOM 999 CG LEU A 128 -14.193 16.833 -35.415 1.00 0.00 ATOM 1000 CD1 LEU A 128 -13.728 15.420 -35.188 1.00 0.00 ATOM 1001 CD2 LEU A 128 -15.143 17.227 -34.319 1.00 0.00 ATOM 1002 O LEU A 128 -12.182 21.005 -34.900 1.00 0.00 ATOM 1003 C LEU A 128 -12.151 20.139 -35.779 1.00 0.00 ATOM 1004 N SER A 129 -11.112 20.007 -36.620 1.00 0.00 ATOM 1005 CA SER A 129 -9.931 20.840 -36.494 1.00 0.00 ATOM 1006 CB SER A 129 -8.880 20.379 -37.505 1.00 0.00 ATOM 1007 OG SER A 129 -8.443 19.060 -37.223 1.00 0.00 ATOM 1008 O SER A 129 -9.920 23.163 -35.907 1.00 0.00 ATOM 1009 C SER A 129 -10.236 22.304 -36.735 1.00 0.00 ATOM 1010 N VAL A 130 -10.934 22.608 -37.832 1.00 0.00 ATOM 1011 CA VAL A 130 -11.306 23.983 -38.140 1.00 0.00 ATOM 1012 CB VAL A 130 -11.978 24.035 -39.545 1.00 0.00 ATOM 1013 CG1 VAL A 130 -12.565 25.418 -39.806 1.00 0.00 ATOM 1014 CG2 VAL A 130 -10.949 23.682 -40.612 1.00 0.00 ATOM 1015 O VAL A 130 -12.087 25.713 -36.663 1.00 0.00 ATOM 1016 C VAL A 130 -12.241 24.565 -37.086 1.00 0.00 ATOM 1017 N GLU A 131 -13.205 23.762 -36.650 1.00 0.00 ATOM 1018 CA GLU A 131 -14.158 24.201 -35.640 1.00 0.00 ATOM 1019 CB GLU A 131 -15.327 23.250 -35.573 1.00 0.00 ATOM 1020 CG GLU A 131 -16.252 23.452 -36.756 1.00 0.00 ATOM 1021 CD GLU A 131 -16.655 24.907 -36.877 1.00 0.00 ATOM 1022 OE1 GLU A 131 -17.127 25.462 -35.858 1.00 0.00 ATOM 1023 OE2 GLU A 131 -16.471 25.500 -37.962 1.00 0.00 ATOM 1024 O GLU A 131 -13.753 25.342 -33.572 1.00 0.00 ATOM 1025 C GLU A 131 -13.451 24.401 -34.307 1.00 0.00 ATOM 1026 N ALA A 132 -12.499 23.524 -34.001 1.00 0.00 ATOM 1027 CA ALA A 132 -11.753 23.631 -32.754 1.00 0.00 ATOM 1028 CB ALA A 132 -10.846 22.398 -32.552 1.00 0.00 ATOM 1029 O ALA A 132 -10.847 25.601 -31.729 1.00 0.00 ATOM 1030 C ALA A 132 -10.901 24.893 -32.742 1.00 0.00 ATOM 1031 N GLU A 133 -10.215 25.161 -33.857 1.00 0.00 ATOM 1032 CA GLU A 133 -9.425 26.376 -33.997 1.00 0.00 ATOM 1033 CB GLU A 133 -8.623 26.419 -35.279 1.00 0.00 ATOM 1034 CG GLU A 133 -7.593 27.542 -35.222 1.00 0.00 ATOM 1035 CD GLU A 133 -6.464 27.435 -36.221 1.00 0.00 ATOM 1036 OE1 GLU A 133 -5.506 28.218 -36.089 1.00 0.00 ATOM 1037 OE2 GLU A 133 -6.505 26.593 -37.137 1.00 0.00 ATOM 1038 O GLU A 133 -9.964 28.565 -33.156 1.00 0.00 ATOM 1039 C GLU A 133 -10.319 27.596 -33.826 1.00 0.00 ATOM 1040 N ALA A 134 -11.491 27.538 -34.438 1.00 0.00 ATOM 1041 CA ALA A 134 -12.455 28.625 -34.363 1.00 0.00 ATOM 1042 CB ALA A 134 -13.631 28.354 -35.289 1.00 0.00 ATOM 1043 O ALA A 134 -13.080 29.860 -32.406 1.00 0.00 ATOM 1044 C ALA A 134 -12.956 28.753 -32.933 1.00 0.00 ATOM 1045 N ALA A 135 -13.236 27.611 -32.289 1.00 0.00 ATOM 1046 CA ALA A 135 -13.791 27.616 -30.943 1.00 0.00 ATOM 1047 CB ALA A 135 -15.270 27.971 -30.953 1.00 0.00 ATOM 1048 O ALA A 135 -13.891 25.249 -31.079 1.00 0.00 ATOM 1049 C ALA A 135 -13.666 26.224 -30.378 1.00 0.00 ATOM 1050 N GLU A 136 -13.439 26.187 -29.063 1.00 0.00 ATOM 1051 CA GLU A 136 -13.619 24.965 -28.291 1.00 0.00 ATOM 1052 CB GLU A 136 -13.247 25.198 -26.825 1.00 0.00 ATOM 1053 CG GLU A 136 -11.757 25.385 -26.585 1.00 0.00 ATOM 1054 CD GLU A 136 -11.438 25.735 -25.145 1.00 0.00 ATOM 1055 OE1 GLU A 136 -12.388 25.904 -24.351 1.00 0.00 ATOM 1056 OE2 GLU A 136 -10.239 25.841 -24.811 1.00 0.00 ATOM 1057 O GLU A 136 -15.289 23.272 -28.487 1.00 0.00 ATOM 1058 C GLU A 136 -15.053 24.498 -28.331 1.00 0.00 ATOM 1059 N SER A 137 -16.018 25.417 -28.276 1.00 0.00 ATOM 1060 CA SER A 137 -17.434 25.052 -28.333 1.00 0.00 ATOM 1061 CB SER A 137 -18.278 26.305 -28.093 1.00 0.00 ATOM 1062 OG SER A 137 -18.086 26.806 -26.781 1.00 0.00 ATOM 1063 O SER A 137 -18.492 23.438 -29.732 1.00 0.00 ATOM 1064 C SER A 137 -17.793 24.449 -29.681 1.00 0.00 ATOM 1065 N SER A 138 -17.321 25.065 -30.777 1.00 0.00 ATOM 1066 CA SER A 138 -17.571 24.554 -32.121 1.00 0.00 ATOM 1067 CB SER A 138 -17.001 25.514 -33.168 1.00 0.00 ATOM 1068 OG SER A 138 -17.665 26.766 -33.127 1.00 0.00 ATOM 1069 O SER A 138 -17.540 22.284 -32.905 1.00 0.00 ATOM 1070 C SER A 138 -16.937 23.182 -32.316 1.00 0.00 ATOM 1071 N ALA A 139 -15.729 23.014 -31.786 1.00 0.00 ATOM 1072 CA ALA A 139 -15.020 21.746 -31.903 1.00 0.00 ATOM 1073 CB ALA A 139 -13.672 21.798 -31.379 1.00 0.00 ATOM 1074 O ALA A 139 -15.965 19.541 -31.614 1.00 0.00 ATOM 1075 C ALA A 139 -15.796 20.666 -31.143 1.00 0.00 ATOM 1076 N ALA A 140 -16.268 21.015 -29.960 1.00 0.00 ATOM 1077 CA ALA A 140 -17.023 20.079 -29.133 1.00 0.00 ATOM 1078 CB ALA A 140 -17.413 20.697 -27.797 1.00 0.00 ATOM 1079 O ALA A 140 -18.691 18.473 -29.764 1.00 0.00 ATOM 1080 C ALA A 140 -18.336 19.652 -29.784 1.00 0.00 ATOM 1081 N GLU A 141 -19.073 20.613 -30.306 1.00 0.00 ATOM 1082 CA GLU A 141 -20.343 20.329 -30.962 1.00 0.00 ATOM 1083 CB GLU A 141 -21.091 21.630 -31.264 1.00 0.00 ATOM 1084 CG GLU A 141 -21.447 22.441 -30.030 1.00 0.00 ATOM 1085 CD GLU A 141 -22.061 23.785 -30.372 1.00 0.00 ATOM 1086 OE1 GLU A 141 -22.185 24.091 -31.577 1.00 0.00 ATOM 1087 OE2 GLU A 141 -22.418 24.531 -29.437 1.00 0.00 ATOM 1088 O GLU A 141 -21.030 18.796 -32.607 1.00 0.00 ATOM 1089 C GLU A 141 -20.144 19.587 -32.271 1.00 0.00 ENDMDL EXPDTA 2hxjA MODEL 2 REMARK 44 REMARK 44 model 2 is called 2hxjA ATOM 1 N GLN 3 -10.978 28.457 -3.275 1.00 0.00 ATOM 2 CA GLN 3 -11.429 27.773 -4.505 1.00 0.00 ATOM 3 CB GLN 3 -10.219 27.145 -5.239 1.00 0.00 ATOM 4 CG GLN 3 -9.349 26.142 -4.432 1.00 0.00 ATOM 5 CD GLN 3 -8.076 25.768 -5.198 1.00 0.00 ATOM 6 OE1 GLN 3 -6.949 26.004 -4.720 1.00 0.00 ATOM 7 NE2 GLN 3 -8.247 25.221 -6.406 1.00 0.00 ATOM 8 O GLN 3 -13.576 27.013 -3.642 1.00 0.00 ATOM 9 C GLN 3 -12.613 26.779 -4.378 1.00 0.00 ATOM 10 N GLU 4 -12.455 25.669 -5.099 1.00 0.00 ATOM 11 CA GLU 4 -13.380 24.563 -5.323 1.00 0.00 ATOM 12 CB GLU 4 -12.779 23.787 -6.489 1.00 0.00 ATOM 13 CG GLU 4 -13.668 22.767 -7.120 1.00 0.00 ATOM 14 CD GLU 4 -14.269 23.228 -8.427 1.00 0.00 ATOM 15 OE1 GLU 4 -15.071 24.195 -8.441 1.00 0.00 ATOM 16 OE2 GLU 4 -13.969 22.571 -9.457 1.00 0.00 ATOM 17 O GLU 4 -13.074 22.846 -3.670 1.00 0.00 ATOM 18 C GLU 4 -13.875 23.556 -4.251 1.00 0.00 ATOM 19 N THR 5 -15.199 23.379 -4.166 1.00 0.00 ATOM 20 CA THR 5 -15.851 22.434 -3.251 1.00 0.00 ATOM 21 CB THR 5 -17.254 22.940 -2.855 1.00 0.00 ATOM 22 CG2 THR 5 -17.907 22.097 -1.674 1.00 0.00 ATOM 23 OG1 THR 5 -17.161 24.307 -2.500 1.00 0.00 ATOM 24 O THR 5 -16.247 21.339 -5.322 1.00 0.00 ATOM 25 C THR 5 -16.165 21.233 -4.104 1.00 0.00 ATOM 26 N ALA 6 -16.470 20.127 -3.442 1.00 0.00 ATOM 27 CA ALA 6 -16.907 18.905 -4.089 1.00 0.00 ATOM 28 CB ALA 6 -17.040 17.792 -3.055 1.00 0.00 ATOM 29 O ALA 6 -18.473 18.862 -5.925 1.00 0.00 ATOM 30 C ALA 6 -18.288 19.211 -4.779 1.00 0.00 ATOM 31 N LEU 7 -19.183 19.947 -4.109 1.00 0.00 ATOM 32 CA LEU 7 -20.470 20.327 -4.665 1.00 0.00 ATOM 33 CB LEU 7 -21.345 21.015 -3.610 1.00 0.00 ATOM 34 CG LEU 7 -22.886 21.131 -3.684 1.00 0.00 ATOM 35 CD1 LEU 7 -23.246 22.550 -3.947 1.00 0.00 ATOM 36 CD2 LEU 7 -23.563 20.223 -4.726 1.00 0.00 ATOM 37 O LEU 7 -20.999 21.113 -6.867 1.00 0.00 ATOM 38 C LEU 7 -20.300 21.255 -5.852 1.00 0.00 ATOM 39 N GLY 8 -19.345 22.182 -5.738 1.00 0.00 ATOM 40 CA GLY 8 -19.093 23.160 -6.800 1.00 0.00 ATOM 41 O GLY 8 -19.112 22.835 -9.188 1.00 0.00 ATOM 42 C GLY 8 -18.616 22.504 -8.091 1.00 0.00 ATOM 43 N ALA 9 -17.758 21.488 -7.939 1.00 0.00 ATOM 44 CA ALA 9 -17.189 20.778 -9.068 1.00 0.00 ATOM 45 CB ALA 9 -15.998 19.961 -8.645 1.00 0.00 ATOM 46 O ALA 9 -18.272 19.792 -10.964 1.00 0.00 ATOM 47 C ALA 9 -18.236 19.902 -9.738 1.00 0.00 ATOM 48 N ALA 10 -19.114 19.334 -8.917 1.00 0.00 ATOM 49 CA ALA 10 -20.183 18.483 -9.407 1.00 0.00 ATOM 50 CB ALA 10 -20.723 17.606 -8.289 1.00 0.00 ATOM 51 O ALA 10 -21.826 18.822 -11.145 1.00 0.00 ATOM 52 C ALA 10 -21.314 19.289 -10.129 1.00 0.00 ATOM 53 N LEU 11 -21.572 20.535 -9.701 1.00 0.00 ATOM 54 CA LEU 11 -22.560 21.396 -10.342 1.00 0.00 ATOM 55 CB LEU 11 -22.839 22.611 -9.499 1.00 0.00 ATOM 56 CG LEU 11 -23.870 23.728 -9.846 1.00 0.00 ATOM 57 CD1 LEU 11 -23.285 24.774 -10.831 1.00 0.00 ATOM 58 CD2 LEU 11 -25.179 23.153 -10.329 1.00 0.00 ATOM 59 O LEU 11 -22.709 21.629 -12.757 1.00 0.00 ATOM 60 C LEU 11 -22.019 21.766 -11.733 1.00 0.00 ATOM 61 N LYS 12 -20.746 22.124 -11.772 1.00 0.00 ATOM 62 CA LYS 12 -20.049 22.409 -13.001 1.00 0.00 ATOM 63 CB LYS 12 -18.601 22.646 -12.736 1.00 0.00 ATOM 64 CG LYS 12 -18.194 23.983 -13.230 1.00 0.00 ATOM 65 CD LYS 12 -17.111 24.587 -12.368 1.00 0.00 ATOM 66 CE LYS 12 -17.728 25.398 -11.219 1.00 0.00 ATOM 67 NZ LYS 12 -16.592 25.918 -10.397 1.00 0.00 ATOM 68 O LYS 12 -20.624 21.456 -15.104 1.00 0.00 ATOM 69 C LYS 12 -20.152 21.265 -14.002 1.00 0.00 ATOM 70 N SER 13 -19.807 20.067 -13.552 1.00 0.00 ATOM 71 CA SER 13 -19.924 18.868 -14.358 1.00 0.00 ATOM 72 CB SER 13 -19.452 17.666 -13.571 1.00 0.00 ATOM 73 OG SER 13 -18.041 17.771 -13.600 1.00 0.00 ATOM 74 O SER 13 -21.471 18.240 -16.063 1.00 0.00 ATOM 75 C SER 13 -21.324 18.577 -14.895 1.00 0.00 ATOM 76 N ALA 14 -22.324 18.778 -14.031 1.00 0.00 ATOM 77 CA ALA 14 -23.739 18.554 -14.334 1.00 0.00 ATOM 78 CB ALA 14 -24.598 18.730 -13.086 1.00 0.00 ATOM 79 O ALA 14 -24.782 19.102 -16.404 1.00 0.00 ATOM 80 C ALA 14 -24.180 19.531 -15.416 1.00 0.00 ATOM 81 N VAL 15 -23.781 20.805 -15.286 1.00 0.00 ATOM 82 CA VAL 15 -24.127 21.837 -16.258 1.00 0.00 ATOM 83 CB VAL 15 -23.580 23.219 -15.841 1.00 0.00 ATOM 84 CG1 VAL 15 -23.543 24.223 -17.044 1.00 0.00 ATOM 85 CG2 VAL 15 -24.384 23.758 -14.637 1.00 0.00 ATOM 86 O VAL 15 -24.201 21.537 -18.620 1.00 0.00 ATOM 87 C VAL 15 -23.529 21.446 -17.620 1.00 0.00 ATOM 88 N GLN 16 -22.264 21.056 -17.642 1.00 0.00 ATOM 89 CA GLN 16 -21.590 20.660 -18.857 1.00 0.00 ATOM 90 CB GLN 16 -20.136 20.379 -18.590 1.00 0.00 ATOM 91 CG GLN 16 -19.305 21.606 -18.482 1.00 0.00 ATOM 92 CD GLN 16 -17.921 21.292 -17.976 1.00 0.00 ATOM 93 OE1 GLN 16 -17.742 20.423 -17.105 1.00 0.00 ATOM 94 NE2 GLN 16 -16.914 21.966 -18.553 1.00 0.00 ATOM 95 O GLN 16 -22.101 19.325 -20.756 1.00 0.00 ATOM 96 C GLN 16 -22.197 19.428 -19.546 1.00 0.00 ATOM 97 N THR 17 -22.819 18.517 -18.796 1.00 0.00 ATOM 98 CA THR 17 -23.422 17.359 -19.426 1.00 0.00 ATOM 99 CB THR 17 -23.812 16.229 -18.427 1.00 0.00 ATOM 100 CG2 THR 17 -22.665 15.846 -17.503 1.00 0.00 ATOM 101 OG1 THR 17 -24.902 16.669 -17.652 1.00 0.00 ATOM 102 O THR 17 -25.252 16.833 -20.858 1.00 0.00 ATOM 103 C THR 17 -24.682 17.712 -20.232 1.00 0.00 ATOM 104 N MET 18 -25.117 18.976 -20.223 1.00 0.00 ATOM 105 CA MET 18 -26.320 19.379 -20.959 1.00 0.00 ATOM 106 CB MET 18 -26.895 20.717 -20.481 1.00 0.00 ATOM 107 CG MET 18 -27.275 20.749 -19.044 1.00 0.00 ATOM 108 SD MET 18 -28.826 19.737 -18.572 1.00 0.00 ATOM 109 CE MET 18 -28.095 18.102 -17.784 1.00 0.00 ATOM 110 O MET 18 -26.925 19.240 -23.238 1.00 0.00 ATOM 111 C MET 18 -26.042 19.408 -22.435 1.00 0.00 ATOM 112 N SER 19 -24.795 19.663 -22.779 1.00 0.00 ATOM 113 CA SER 19 -24.398 19.629 -24.166 1.00 0.00 ATOM 114 CB SER 19 -23.140 20.456 -24.374 1.00 0.00 ATOM 115 OG SER 19 -22.522 20.107 -25.607 1.00 0.00 ATOM 116 O SER 19 -23.240 17.531 -23.885 1.00 0.00 ATOM 117 C SER 19 -24.111 18.144 -24.507 1.00 0.00 ATOM 118 N LYS 20 -24.797 17.598 -25.514 1.00 0.00 ATOM 119 CA LYS 20 -24.573 16.207 -25.894 1.00 0.00 ATOM 120 CB LYS 20 -25.799 15.601 -26.615 1.00 0.00 ATOM 121 CG LYS 20 -25.843 15.654 -28.125 1.00 0.00 ATOM 122 CD LYS 20 -27.122 14.902 -28.628 1.00 0.00 ATOM 123 CE LYS 20 -27.175 14.817 -30.208 1.00 0.00 ATOM 124 NZ LYS 20 -28.459 14.257 -30.823 1.00 0.00 ATOM 125 O LYS 20 -22.570 14.874 -26.233 1.00 0.00 ATOM 126 C LYS 20 -23.157 15.912 -26.516 1.00 0.00 ATOM 127 N LYS 21 -22.551 16.912 -27.162 1.00 0.00 ATOM 128 CA LYS 21 -21.217 16.790 -27.725 1.00 0.00 ATOM 129 CB LYS 21 -20.854 17.978 -28.662 1.00 0.00 ATOM 130 CG LYS 21 -21.566 17.872 -30.031 1.00 0.00 ATOM 131 CD LYS 21 -21.390 19.101 -30.977 1.00 0.00 ATOM 132 CE LYS 21 -22.219 18.944 -32.293 1.00 0.00 ATOM 133 NZ LYS 21 -22.347 20.280 -32.984 1.00 0.00 ATOM 134 O LYS 21 -19.257 15.998 -26.620 1.00 0.00 ATOM 135 C LYS 21 -20.219 16.757 -26.585 1.00 0.00 ATOM 136 N LYS 22 -20.473 17.577 -25.568 1.00 0.00 ATOM 137 CA LYS 22 -19.591 17.634 -24.413 1.00 0.00 ATOM 138 CB LYS 22 -19.774 18.953 -23.635 1.00 0.00 ATOM 139 CG LYS 22 -18.820 19.182 -22.472 1.00 0.00 ATOM 140 CD LYS 22 -17.459 19.678 -22.941 1.00 0.00 ATOM 141 CE LYS 22 -16.314 18.880 -22.321 1.00 0.00 ATOM 142 NZ LYS 22 -15.439 19.653 -21.372 1.00 0.00 ATOM 143 O LYS 22 -18.835 15.832 -23.027 1.00 0.00 ATOM 144 C LYS 22 -19.809 16.392 -23.505 1.00 0.00 ATOM 145 N GLN 23 -21.062 15.933 -23.381 1.00 0.00 ATOM 146 CA GLN 23 -21.369 14.754 -22.593 1.00 0.00 ATOM 147 CB GLN 23 -22.869 14.509 -22.427 1.00 0.00 ATOM 148 CG GLN 23 -23.037 13.419 -21.352 1.00 0.00 ATOM 149 CD GLN 23 -24.429 13.093 -20.931 1.00 0.00 ATOM 150 OE1 GLN 23 -24.655 11.996 -20.426 1.00 0.00 ATOM 151 NE2 GLN 23 -25.377 14.058 -21.079 1.00 0.00 ATOM 152 O GLN 23 -20.127 12.686 -22.406 1.00 0.00 ATOM 153 C GLN 23 -20.686 13.465 -23.157 1.00 0.00 ATOM 154 N THR 24 -20.641 13.369 -24.493 1.00 0.00 ATOM 155 CA THR 24 -20.044 12.250 -25.246 1.00 0.00 ATOM 156 CB THR 24 -20.393 12.394 -26.749 1.00 0.00 ATOM 157 CG2 THR 24 -19.752 11.334 -27.587 1.00 0.00 ATOM 158 OG1 THR 24 -21.817 12.308 -26.897 1.00 0.00 ATOM 159 O THR 24 -18.027 11.144 -24.684 1.00 0.00 ATOM 160 C THR 24 -18.532 12.198 -24.999 1.00 0.00 ATOM 161 N GLU 25 -17.852 13.347 -25.100 1.00 0.00 ATOM 162 CA GLU 25 -16.424 13.414 -24.837 1.00 0.00 ATOM 163 CB GLU 25 -15.869 14.796 -25.091 1.00 0.00 ATOM 164 CG GLU 25 -15.835 15.231 -26.548 1.00 0.00 ATOM 165 CD GLU 25 -15.402 16.710 -26.710 1.00 0.00 ATOM 166 OE1 GLU 25 -15.756 17.538 -25.824 1.00 0.00 ATOM 167 OE2 GLU 25 -14.716 17.045 -27.736 1.00 0.00 ATOM 168 O GLU 25 -15.130 12.384 -23.102 1.00 0.00 ATOM 169 C GLU 25 -16.112 13.061 -23.381 1.00 0.00 ATOM 170 N MET 26 -16.962 13.498 -22.460 1.00 0.00 ATOM 171 CA MET 26 -16.747 13.210 -21.044 1.00 0.00 ATOM 172 CB MET 26 -17.740 13.969 -20.123 1.00 0.00 ATOM 173 CG MET 26 -17.517 15.436 -19.984 1.00 0.00 ATOM 174 SD MET 26 -19.053 16.495 -19.272 1.00 0.00 ATOM 175 CE MET 26 -17.684 17.818 -18.995 1.00 0.00 ATOM 176 O MET 26 -16.126 11.175 -19.965 1.00 0.00 ATOM 177 C MET 26 -16.899 11.705 -20.764 1.00 0.00 ATOM 178 N ILE 27 -17.884 11.057 -21.416 1.00 0.00 ATOM 179 CA ILE 27 -18.136 9.629 -21.255 1.00 0.00 ATOM 180 CB ILE 27 -19.400 9.151 -22.001 1.00 0.00 ATOM 181 CG1 ILE 27 -20.596 9.811 -21.325 1.00 0.00 ATOM 182 CG2 ILE 27 -19.564 7.581 -21.929 1.00 0.00 ATOM 183 CD1 ILE 27 -21.888 9.684 -22.015 1.00 0.00 ATOM 184 O ILE 27 -16.490 7.944 -20.911 1.00 0.00 ATOM 185 C ILE 27 -16.950 8.796 -21.676 1.00 0.00 ATOM 186 N ALA 28 -16.399 9.184 -22.820 1.00 0.00 ATOM 187 CA ALA 28 -15.278 8.542 -23.462 1.00 0.00 ATOM 188 CB ALA 28 -15.009 9.170 -24.846 1.00 0.00 ATOM 189 O ALA 28 -13.491 7.618 -22.241 1.00 0.00 ATOM 190 C ALA 28 -14.053 8.648 -22.604 1.00 0.00 ATOM 191 N ASP 29 -13.686 9.885 -22.235 1.00 0.00 ATOM 192 CA ASP 29 -12.520 10.144 -21.361 1.00 0.00 ATOM 193 CB ASP 29 -12.348 11.650 -21.042 1.00 0.00 ATOM 194 CG ASP 29 -11.983 12.530 -22.270 1.00 0.00 ATOM 195 OD1 ASP 29 -11.487 12.086 -23.356 1.00 0.00 ATOM 196 OD2 ASP 29 -12.208 13.739 -22.102 1.00 0.00 ATOM 197 O ASP 29 -11.806 8.684 -19.588 1.00 0.00 ATOM 198 C ASP 29 -12.708 9.363 -20.032 1.00 0.00 ATOM 199 N HIS 30 -13.911 9.375 -19.474 1.00 0.00 ATOM 200 CA HIS 30 -14.161 8.621 -18.272 1.00 0.00 ATOM 201 CB HIS 30 -15.600 8.870 -17.756 1.00 0.00 ATOM 202 CG HIS 30 -15.944 8.123 -16.497 1.00 0.00 ATOM 203 CD2 HIS 30 -16.363 6.846 -16.286 1.00 0.00 ATOM 204 ND1 HIS 30 -15.781 8.671 -15.241 1.00 0.00 ATOM 205 CE1 HIS 30 -16.061 7.757 -14.323 1.00 0.00 ATOM 206 NE2 HIS 30 -16.412 6.647 -14.934 1.00 0.00 ATOM 207 O HIS 30 -13.141 6.501 -17.764 1.00 0.00 ATOM 208 C HIS 30 -13.912 7.114 -18.502 1.00 0.00 ATOM 209 N ILE 31 -14.459 6.550 -19.583 1.00 0.00 ATOM 210 CA ILE 31 -14.346 5.096 -19.865 1.00 0.00 ATOM 211 CB ILE 31 -15.379 4.673 -20.934 1.00 0.00 ATOM 212 CG1 ILE 31 -16.666 4.318 -20.257 1.00 0.00 ATOM 213 CG2 ILE 31 -14.859 3.673 -21.909 1.00 0.00 ATOM 214 CD1 ILE 31 -17.865 4.533 -21.192 1.00 0.00 ATOM 215 O ILE 31 -12.415 3.705 -19.624 1.00 0.00 ATOM 216 C ILE 31 -12.923 4.664 -20.192 1.00 0.00 ATOM 217 N TYR 32 -12.278 5.413 -21.061 1.00 0.00 ATOM 218 CA TYR 32 -10.941 5.082 -21.411 1.00 0.00 ATOM 219 CB TYR 32 -10.519 5.835 -22.663 1.00 0.00 ATOM 220 CG TYR 32 -11.123 5.253 -23.916 1.00 0.00 ATOM 221 CD1 TYR 32 -12.002 6.030 -24.687 1.00 0.00 ATOM 222 CD2 TYR 32 -10.781 3.938 -24.374 1.00 0.00 ATOM 223 CE1 TYR 32 -12.547 5.567 -25.858 1.00 0.00 ATOM 224 CE2 TYR 32 -11.313 3.458 -25.574 1.00 0.00 ATOM 225 CZ TYR 32 -12.201 4.294 -26.328 1.00 0.00 ATOM 226 OH TYR 32 -12.678 3.944 -27.552 1.00 0.00 ATOM 227 O TYR 32 -8.819 4.854 -20.462 1.00 0.00 ATOM 228 C TYR 32 -9.926 5.342 -20.326 1.00 0.00 ATOM 229 N GLY 33 -10.307 6.114 -19.299 1.00 0.00 ATOM 230 CA GLY 33 -9.414 6.452 -18.208 1.00 0.00 ATOM 231 O GLY 33 -8.599 5.100 -16.399 1.00 0.00 ATOM 232 C GLY 33 -9.584 5.512 -17.018 1.00 0.00 ATOM 233 N LYS 34 -10.820 5.112 -16.749 1.00 0.00 ATOM 234 CA LYS 34 -11.148 4.240 -15.639 1.00 0.00 ATOM 235 CB LYS 34 -12.594 4.559 -15.233 1.00 0.00 ATOM 236 CG LYS 34 -12.972 4.402 -13.769 1.00 0.00 ATOM 237 CD LYS 34 -13.485 3.026 -13.420 1.00 0.00 ATOM 238 CE LYS 34 -14.150 2.974 -12.045 1.00 0.00 ATOM 239 NZ LYS 34 -15.399 3.810 -11.946 1.00 0.00 ATOM 240 O LYS 34 -10.694 1.915 -15.011 1.00 0.00 ATOM 241 C LYS 34 -11.037 2.687 -15.913 1.00 0.00 ATOM 242 N TYR 35 -11.394 2.251 -17.125 1.00 0.00 ATOM 243 CA TYR 35 -11.480 0.831 -17.441 1.00 0.00 ATOM 244 CB TYR 35 -12.849 0.491 -18.015 1.00 0.00 ATOM 245 CG TYR 35 -14.001 0.777 -17.118 1.00 0.00 ATOM 246 CD1 TYR 35 -14.875 1.845 -17.403 1.00 0.00 ATOM 247 CD2 TYR 35 -14.234 0.018 -15.951 1.00 0.00 ATOM 248 CE1 TYR 35 -15.982 2.173 -16.503 1.00 0.00 ATOM 249 CE2 TYR 35 -15.295 0.312 -15.090 1.00 0.00 ATOM 250 CZ TYR 35 -16.164 1.397 -15.375 1.00 0.00 ATOM 251 OH TYR 35 -17.167 1.726 -14.518 1.00 0.00 ATOM 252 O TYR 35 -10.450 0.702 -19.546 1.00 0.00 ATOM 253 C TYR 35 -10.417 0.338 -18.366 1.00 0.00 ATOM 254 N ASP 36 -9.609 -0.610 -17.859 1.00 0.00 ATOM 255 CA ASP 36 -8.527 -1.216 -18.621 1.00 0.00 ATOM 256 CB ASP 36 -7.577 -2.052 -17.713 1.00 0.00 ATOM 257 CG ASP 36 -6.361 -1.216 -17.195 1.00 0.00 ATOM 258 OD1 ASP 36 -5.258 -1.348 -17.796 1.00 0.00 ATOM 259 OD2 ASP 36 -6.508 -0.370 -16.251 1.00 0.00 ATOM 260 O ASP 36 -8.408 -1.997 -20.874 1.00 0.00 ATOM 261 C ASP 36 -9.053 -2.011 -19.849 1.00 0.00 ATOM 262 N VAL 37 -10.249 -2.599 -19.780 1.00 0.00 ATOM 263 CA VAL 37 -10.758 -3.324 -20.968 1.00 0.00 ATOM 264 CB VAL 37 -12.010 -4.109 -20.675 1.00 0.00 ATOM 265 CG1 VAL 37 -11.604 -5.214 -19.773 1.00 0.00 ATOM 266 CG2 VAL 37 -13.097 -3.213 -20.003 1.00 0.00 ATOM 267 O VAL 37 -10.714 -2.870 -23.328 1.00 0.00 ATOM 268 C VAL 37 -10.966 -2.438 -22.216 1.00 0.00 ATOM 269 N PHE 38 -11.327 -1.184 -21.974 1.00 0.00 ATOM 270 CA PHE 38 -11.489 -0.204 -23.020 1.00 0.00 ATOM 271 CB PHE 38 -12.445 0.888 -22.573 1.00 0.00 ATOM 272 CG PHE 38 -13.861 0.428 -22.580 1.00 0.00 ATOM 273 CD1 PHE 38 -14.429 -0.160 -21.477 1.00 0.00 ATOM 274 CD2 PHE 38 -14.616 0.520 -23.757 1.00 0.00 ATOM 275 CE1 PHE 38 -15.696 -0.684 -21.532 1.00 0.00 ATOM 276 CE2 PHE 38 -15.915 -0.016 -23.820 1.00 0.00 ATOM 277 CZ PHE 38 -16.456 -0.605 -22.711 1.00 0.00 ATOM 278 O PHE 38 -9.885 0.497 -24.567 1.00 0.00 ATOM 279 C PHE 38 -10.179 0.392 -23.388 1.00 0.00 ATOM 280 N LYS 39 -9.335 0.696 -22.402 1.00 0.00 ATOM 281 CA LYS 39 -8.041 1.348 -22.678 1.00 0.00 ATOM 282 CB LYS 39 -7.363 1.815 -21.338 1.00 0.00 ATOM 283 CG LYS 39 -6.069 2.598 -21.426 1.00 0.00 ATOM 284 CD LYS 39 -5.285 2.612 -20.013 1.00 0.00 ATOM 285 CE LYS 39 -5.815 3.629 -18.910 1.00 0.00 ATOM 286 NZ LYS 39 -7.003 3.168 -18.028 1.00 0.00 ATOM 287 O LYS 39 -6.447 0.876 -24.389 1.00 0.00 ATOM 288 C LYS 39 -7.139 0.430 -23.477 1.00 0.00 ATOM 289 N ARG 40 -7.244 -0.857 -23.176 1.00 0.00 ATOM 290 CA ARG 40 -6.436 -1.836 -23.851 1.00 0.00 ATOM 291 CB ARG 40 -5.722 -2.722 -22.811 1.00 0.00 ATOM 292 CG ARG 40 -4.383 -2.080 -22.399 1.00 0.00 ATOM 293 CD ARG 40 -4.295 -1.980 -20.909 1.00 0.00 ATOM 294 NE ARG 40 -4.471 -3.311 -20.300 1.00 0.00 ATOM 295 CZ ARG 40 -3.867 -3.743 -19.189 1.00 0.00 ATOM 296 NH1 ARG 40 -3.037 -2.929 -18.517 1.00 0.00 ATOM 297 NH2 ARG 40 -4.052 -5.016 -18.788 1.00 0.00 ATOM 298 O ARG 40 -6.482 -3.463 -25.595 1.00 0.00 ATOM 299 C ARG 40 -7.100 -2.611 -24.989 1.00 0.00 ATOM 300 N PHE 41 -8.296 -2.154 -25.359 1.00 0.00 ATOM 301 CA PHE 41 -9.101 -2.702 -26.437 1.00 0.00 ATOM 302 CB PHE 41 -8.557 -2.251 -27.812 1.00 0.00 ATOM 303 CG PHE 41 -8.915 -0.894 -28.169 1.00 0.00 ATOM 304 CD1 PHE 41 -8.197 0.200 -27.662 1.00 0.00 ATOM 305 CD2 PHE 41 -9.976 -0.663 -29.044 1.00 0.00 ATOM 306 CE1 PHE 41 -8.524 1.559 -28.012 1.00 0.00 ATOM 307 CE2 PHE 41 -10.330 0.668 -29.411 1.00 0.00 ATOM 308 CZ PHE 41 -9.574 1.795 -28.873 1.00 0.00 ATOM 309 O PHE 41 -8.722 -4.910 -27.242 1.00 0.00 ATOM 310 C PHE 41 -9.211 -4.215 -26.373 1.00 0.00 ATOM 311 N LYS 42 -9.733 -4.722 -25.275 1.00 0.00 ATOM 312 CA LYS 42 -9.914 -6.155 -25.164 1.00 0.00 ATOM 313 CB LYS 42 -9.769 -6.579 -23.705 1.00 0.00 ATOM 314 CG LYS 42 -8.305 -6.538 -23.228 1.00 0.00 ATOM 315 CD LYS 42 -8.233 -6.888 -21.783 1.00 0.00 ATOM 316 CE LYS 42 -6.824 -7.311 -21.312 1.00 0.00 ATOM 317 NZ LYS 42 -7.131 -7.770 -19.891 1.00 0.00 ATOM 318 O LYS 42 -12.238 -5.715 -25.531 1.00 0.00 ATOM 319 C LYS 42 -11.325 -6.525 -25.646 1.00 0.00 ATOM 320 N PRO 43 -11.523 -7.772 -26.118 1.00 0.00 ATOM 321 CA PRO 43 -12.848 -8.175 -26.574 1.00 0.00 ATOM 322 CB PRO 43 -12.638 -9.631 -26.992 1.00 0.00 ATOM 323 CG PRO 43 -11.261 -9.641 -27.549 1.00 0.00 ATOM 324 CD PRO 43 -10.476 -8.733 -26.573 1.00 0.00 ATOM 325 O PRO 43 -13.423 -8.547 -24.294 1.00 0.00 ATOM 326 C PRO 43 -13.765 -8.068 -25.380 1.00 0.00 ATOM 327 N LEU 44 -14.871 -7.366 -25.541 1.00 0.00 ATOM 328 CA LEU 44 -15.811 -7.146 -24.482 1.00 0.00 ATOM 329 CB LEU 44 -16.430 -5.740 -24.650 1.00 0.00 ATOM 330 CG LEU 44 -15.439 -4.584 -24.808 1.00 0.00 ATOM 331 CD1 LEU 44 -16.111 -3.247 -25.354 1.00 0.00 ATOM 332 CD2 LEU 44 -14.733 -4.331 -23.457 1.00 0.00 ATOM 333 O LEU 44 -17.536 -8.710 -25.288 1.00 0.00 ATOM 334 C LEU 44 -16.936 -8.180 -24.301 1.00 0.00 ATOM 335 N ALA 45 -17.237 -8.483 -23.043 1.00 0.00 ATOM 336 CA ALA 45 -18.281 -9.398 -22.738 1.00 0.00 ATOM 337 CB ALA 45 -18.309 -9.634 -21.230 1.00 0.00 ATOM 338 O ALA 45 -19.931 -7.731 -23.345 1.00 0.00 ATOM 339 C ALA 45 -19.681 -8.933 -23.208 1.00 0.00 ATOM 340 N LEU 46 -20.585 -9.898 -23.411 1.00 0.00 ATOM 341 CA LEU 46 -21.998 -9.668 -23.769 1.00 0.00 ATOM 342 CB LEU 46 -22.755 -11.010 -23.749 1.00 0.00 ATOM 343 CG LEU 46 -24.111 -11.356 -24.412 1.00 0.00 ATOM 344 CD1 LEU 46 -25.068 -11.976 -23.442 1.00 0.00 ATOM 345 CD2 LEU 46 -24.781 -10.232 -25.092 1.00 0.00 ATOM 346 O LEU 46 -22.286 -9.155 -21.420 1.00 0.00 ATOM 347 C LEU 46 -22.594 -8.863 -22.616 1.00 0.00 ATOM 348 N GLY 47 -23.439 -7.887 -22.959 1.00 0.00 ATOM 349 CA GLY 47 -24.110 -7.070 -21.968 1.00 0.00 ATOM 350 O GLY 47 -23.649 -5.403 -20.337 1.00 0.00 ATOM 351 C GLY 47 -23.263 -5.987 -21.335 1.00 0.00 ATOM 352 N ILE 48 -22.119 -5.670 -21.917 1.00 0.00 ATOM 353 CA ILE 48 -21.311 -4.606 -21.364 1.00 0.00 ATOM 354 CB ILE 48 -19.911 -4.580 -21.982 1.00 0.00 ATOM 355 CG1 ILE 48 -18.983 -3.948 -20.996 1.00 0.00 ATOM 356 CG2 ILE 48 -19.880 -3.932 -23.339 1.00 0.00 ATOM 357 CD1 ILE 48 -17.564 -4.213 -21.248 1.00 0.00 ATOM 358 O ILE 48 -21.750 -2.350 -20.556 1.00 0.00 ATOM 359 C ILE 48 -22.002 -3.217 -21.410 1.00 0.00 ATOM 360 N ASP 49 -22.938 -3.066 -22.346 1.00 0.00 ATOM 361 CA ASP 49 -23.693 -1.841 -22.450 1.00 0.00 ATOM 362 CB ASP 49 -24.598 -1.828 -23.701 1.00 0.00 ATOM 363 CG ASP 49 -25.697 -2.867 -23.637 1.00 0.00 ATOM 364 OD1 ASP 49 -26.892 -2.453 -23.697 1.00 0.00 ATOM 365 OD2 ASP 49 -25.397 -4.075 -23.481 1.00 0.00 ATOM 366 O ASP 49 -24.339 -0.522 -20.555 1.00 0.00 ATOM 367 C ASP 49 -24.486 -1.598 -21.150 1.00 0.00 ATOM 368 N GLN 50 -25.125 -2.659 -20.624 1.00 0.00 ATOM 369 CA GLN 50 -25.938 -2.585 -19.379 1.00 0.00 ATOM 370 CB GLN 50 -26.856 -3.813 -19.220 1.00 0.00 ATOM 371 CG GLN 50 -27.755 -4.135 -20.445 1.00 0.00 ATOM 372 CD GLN 50 -29.143 -3.423 -20.416 1.00 0.00 ATOM 373 OE1 GLN 50 -30.194 -4.101 -20.304 1.00 0.00 ATOM 374 NE2 GLN 50 -29.159 -2.101 -20.555 1.00 0.00 ATOM 375 O GLN 50 -25.512 -1.847 -17.116 1.00 0.00 ATOM 376 C GLN 50 -25.078 -2.413 -18.124 1.00 0.00 ATOM 377 N ASP 51 -23.858 -2.925 -18.187 1.00 0.00 ATOM 378 CA ASP 51 -22.931 -2.790 -17.090 1.00 0.00 ATOM 379 CB ASP 51 -21.750 -3.747 -17.251 1.00 0.00 ATOM 380 CG ASP 51 -22.140 -5.184 -17.055 1.00 0.00 ATOM 381 OD1 ASP 51 -23.027 -5.450 -16.214 1.00 0.00 ATOM 382 OD2 ASP 51 -21.579 -6.026 -17.751 1.00 0.00 ATOM 383 O ASP 51 -22.313 -0.786 -15.989 1.00 0.00 ATOM 384 C ASP 51 -22.425 -1.354 -17.047 1.00 0.00 ATOM 385 N LEU 52 -22.189 -0.748 -18.206 1.00 0.00 ATOM 386 CA LEU 52 -21.717 0.626 -18.245 1.00 0.00 ATOM 387 CB LEU 52 -21.213 1.005 -19.623 1.00 0.00 ATOM 388 CG LEU 52 -19.823 0.630 -20.133 1.00 0.00 ATOM 389 CD1 LEU 52 -19.762 1.032 -21.645 1.00 0.00 ATOM 390 CD2 LEU 52 -18.789 1.393 -19.337 1.00 0.00 ATOM 391 O LEU 52 -22.558 2.401 -16.920 1.00 0.00 ATOM 392 C LEU 52 -22.801 1.607 -17.792 1.00 0.00 ATOM 393 N ILE 53 -24.037 1.376 -18.225 1.00 0.00 ATOM 394 CA ILE 53 -25.192 2.212 -17.895 1.00 0.00 ATOM 395 CB ILE 53 -26.466 1.737 -18.689 1.00 0.00 ATOM 396 CG1 ILE 53 -26.290 2.075 -20.198 1.00 0.00 ATOM 397 CG2 ILE 53 -27.805 2.275 -18.025 1.00 0.00 ATOM 398 CD1 ILE 53 -27.333 1.413 -21.177 1.00 0.00 ATOM 399 O ILE 53 -25.644 3.265 -15.779 1.00 0.00 ATOM 400 C ILE 53 -25.447 2.198 -16.403 1.00 0.00 ATOM 401 N ALA 54 -25.367 1.000 -15.838 1.00 0.00 ATOM 402 CA ALA 54 -25.581 0.809 -14.436 1.00 0.00 ATOM 403 CB ALA 54 -25.715 -0.652 -14.136 1.00 0.00 ATOM 404 O ALA 54 -24.708 2.160 -12.644 1.00 0.00 ATOM 405 C ALA 54 -24.436 1.446 -13.634 1.00 0.00 ATOM 406 N ALA 55 -23.211 1.377 -14.163 1.00 0.00 ATOM 407 CA ALA 55 -22.037 1.918 -13.478 1.00 0.00 ATOM 408 CB ALA 55 -20.746 1.250 -14.029 1.00 0.00 ATOM 409 O ALA 55 -21.055 4.098 -12.864 1.00 0.00 ATOM 410 C ALA 55 -21.878 3.450 -13.592 1.00 0.00 ATOM 411 N LEU 56 -22.574 4.014 -14.586 1.00 0.00 ATOM 412 CA LEU 56 -22.531 5.425 -14.896 1.00 0.00 ATOM 413 CB LEU 56 -21.844 5.640 -16.237 1.00 0.00 ATOM 414 CG LEU 56 -20.473 5.015 -16.447 1.00 0.00 ATOM 415 CD1 LEU 56 -19.993 5.407 -17.829 1.00 0.00 ATOM 416 CD2 LEU 56 -19.491 5.403 -15.378 1.00 0.00 ATOM 417 O LEU 56 -24.321 6.647 -15.903 1.00 0.00 ATOM 418 C LEU 56 -23.884 6.123 -14.878 1.00 0.00 ATOM 419 N PRO 57 -24.508 6.288 -13.697 1.00 0.00 ATOM 420 CA PRO 57 -25.821 6.957 -13.745 1.00 0.00 ATOM 421 CB PRO 57 -26.511 6.484 -12.452 1.00 0.00 ATOM 422 CG PRO 57 -25.392 6.350 -11.500 1.00 0.00 ATOM 423 CD PRO 57 -24.233 5.768 -12.328 1.00 0.00 ATOM 424 O PRO 57 -26.865 9.069 -14.041 1.00 0.00 ATOM 425 C PRO 57 -25.804 8.472 -13.889 1.00 0.00 ATOM 426 N GLN 58 -24.608 9.057 -13.876 1.00 0.00 ATOM 427 CA GLN 58 -24.402 10.502 -14.047 1.00 0.00 ATOM 428 CB GLN 58 -23.076 10.962 -13.372 1.00 0.00 ATOM 429 CG GLN 58 -21.785 10.504 -14.019 1.00 0.00 ATOM 430 CD GLN 58 -21.333 9.071 -13.607 1.00 0.00 ATOM 431 OE1 GLN 58 -20.151 8.841 -13.409 1.00 0.00 ATOM 432 NE2 GLN 58 -22.264 8.146 -13.441 1.00 0.00 ATOM 433 O GLN 58 -24.045 12.027 -15.851 1.00 0.00 ATOM 434 C GLN 58 -24.371 10.888 -15.510 1.00 0.00 ATOM 435 N TYR 59 -24.585 9.897 -16.369 1.00 0.00 ATOM 436 CA TYR 59 -24.555 10.065 -17.826 1.00 0.00 ATOM 437 CB TYR 59 -23.238 9.518 -18.393 1.00 0.00 ATOM 438 CG TYR 59 -21.968 10.243 -17.955 1.00 0.00 ATOM 439 CD1 TYR 59 -21.823 11.634 -18.157 1.00 0.00 ATOM 440 CD2 TYR 59 -20.877 9.526 -17.387 1.00 0.00 ATOM 441 CE1 TYR 59 -20.622 12.303 -17.795 1.00 0.00 ATOM 442 CE2 TYR 59 -19.686 10.167 -17.041 1.00 0.00 ATOM 443 CZ TYR 59 -19.566 11.561 -17.248 1.00 0.00 ATOM 444 OH TYR 59 -18.417 12.236 -16.932 1.00 0.00 ATOM 445 O TYR 59 -26.363 8.496 -17.975 1.00 0.00 ATOM 446 C TYR 59 -25.767 9.428 -18.511 1.00 0.00 ATOM 447 N ASP 60 -26.186 9.982 -19.654 1.00 0.00 ATOM 448 CA ASP 60 -27.370 9.470 -20.399 1.00 0.00 ATOM 449 CB ASP 60 -27.862 10.488 -21.456 1.00 0.00 ATOM 450 CG ASP 60 -28.555 11.689 -20.827 1.00 0.00 ATOM 451 OD1 ASP 60 -29.401 11.488 -19.927 1.00 0.00 ATOM 452 OD2 ASP 60 -28.261 12.846 -21.213 1.00 0.00 ATOM 453 O ASP 60 -26.060 8.113 -21.815 1.00 0.00 ATOM 454 C ASP 60 -27.059 8.181 -21.093 1.00 0.00 ATOM 455 N ALA 61 -27.894 7.167 -20.820 1.00 0.00 ATOM 456 CA ALA 61 -27.843 5.794 -21.395 1.00 0.00 ATOM 457 CB ALA 61 -29.059 4.990 -20.983 1.00 0.00 ATOM 458 O ALA 61 -27.093 4.889 -23.499 1.00 0.00 ATOM 459 C ALA 61 -27.723 5.771 -22.916 1.00 0.00 ATOM 460 N ALA 62 -28.281 6.771 -23.569 1.00 0.00 ATOM 461 CA ALA 62 -28.205 6.824 -25.004 1.00 0.00 ATOM 462 CB ALA 62 -29.282 7.792 -25.574 1.00 0.00 ATOM 463 O ALA 62 -26.375 6.805 -26.477 1.00 0.00 ATOM 464 C ALA 62 -26.845 7.270 -25.431 1.00 0.00 ATOM 465 N LEU 63 -26.206 8.167 -24.667 1.00 0.00 ATOM 466 CA LEU 63 -24.894 8.593 -25.129 1.00 0.00 ATOM 467 CB LEU 63 -24.553 10.025 -24.751 1.00 0.00 ATOM 468 CG LEU 63 -25.490 11.159 -25.182 1.00 0.00 ATOM 469 CD1 LEU 63 -25.030 12.420 -24.485 1.00 0.00 ATOM 470 CD2 LEU 63 -25.506 11.423 -26.683 1.00 0.00 ATOM 471 O LEU 63 -22.739 7.639 -25.301 1.00 0.00 ATOM 472 C LEU 63 -23.813 7.618 -24.715 1.00 0.00 ATOM 473 N ILE 64 -24.129 6.751 -23.742 1.00 0.00 ATOM 474 CA ILE 64 -23.212 5.690 -23.303 1.00 0.00 ATOM 475 CB ILE 64 -23.719 4.848 -22.049 1.00 0.00 ATOM 476 CG1 ILE 64 -24.000 5.700 -20.760 1.00 0.00 ATOM 477 CG2 ILE 64 -22.697 3.781 -21.677 1.00 0.00 ATOM 478 CD1 ILE 64 -22.884 6.464 -20.202 1.00 0.00 ATOM 479 O ILE 64 -22.094 4.372 -25.033 1.00 0.00 ATOM 480 C ILE 64 -23.152 4.681 -24.507 1.00 0.00 ATOM 481 N ALA 65 -24.327 4.304 -25.002 1.00 0.00 ATOM 482 CA ALA 65 -24.470 3.386 -26.136 1.00 0.00 ATOM 483 CB ALA 65 -25.943 3.133 -26.400 1.00 0.00 ATOM 484 O ALA 65 -22.970 3.167 -27.998 1.00 0.00 ATOM 485 C ALA 65 -23.753 3.893 -27.393 1.00 0.00 ATOM 486 N ARG 66 -23.851 5.189 -27.661 1.00 0.00 ATOM 487 CA ARG 66 -23.182 5.785 -28.809 1.00 0.00 ATOM 488 CB ARG 66 -23.713 7.216 -29.006 1.00 0.00 ATOM 489 CG ARG 66 -22.986 8.102 -29.986 1.00 0.00 ATOM 490 CD ARG 66 -23.327 9.566 -29.730 1.00 0.00 ATOM 491 NE ARG 66 -24.698 9.948 -30.130 1.00 0.00 ATOM 492 CZ ARG 66 -25.048 11.197 -30.474 1.00 0.00 ATOM 493 NH1 ARG 66 -24.119 12.185 -30.475 1.00 0.00 ATOM 494 NH2 ARG 66 -26.326 11.472 -30.803 1.00 0.00 ATOM 495 O ARG 66 -20.943 5.507 -29.680 1.00 0.00 ATOM 496 C ARG 66 -21.653 5.733 -28.689 1.00 0.00 ATOM 497 N VAL 67 -21.141 5.925 -27.476 1.00 0.00 ATOM 498 CA VAL 67 -19.674 5.857 -27.229 1.00 0.00 ATOM 499 CB VAL 67 -19.283 6.478 -25.811 1.00 0.00 ATOM 500 CG1 VAL 67 -17.773 6.312 -25.573 1.00 0.00 ATOM 501 CG2 VAL 67 -19.556 7.957 -25.820 1.00 0.00 ATOM 502 O VAL 67 -18.159 4.123 -27.948 1.00 0.00 ATOM 503 C VAL 67 -19.170 4.401 -27.359 1.00 0.00 ATOM 504 N LEU 68 -19.972 3.497 -26.845 1.00 0.00 ATOM 505 CA LEU 68 -19.705 2.074 -26.926 1.00 0.00 ATOM 506 CB LEU 68 -20.747 1.303 -26.106 1.00 0.00 ATOM 507 CG LEU 68 -20.450 -0.167 -26.251 1.00 0.00 ATOM 508 CD1 LEU 68 -19.027 -0.491 -25.642 1.00 0.00 ATOM 509 CD2 LEU 68 -21.468 -0.958 -25.595 1.00 0.00 ATOM 510 O LEU 68 -18.693 1.016 -28.873 1.00 0.00 ATOM 511 C LEU 68 -19.694 1.634 -28.423 1.00 0.00 ATOM 512 N ALA 69 -20.693 2.089 -29.207 1.00 0.00 ATOM 513 CA ALA 69 -20.780 1.758 -30.670 1.00 0.00 ATOM 514 CB ALA 69 -22.069 2.236 -31.274 1.00 0.00 ATOM 515 O ALA 69 -19.071 1.719 -32.301 1.00 0.00 ATOM 516 C ALA 69 -19.607 2.368 -31.421 1.00 0.00 ATOM 517 N ASN 70 -19.125 3.538 -30.974 1.00 0.00 ATOM 518 CA ASN 70 -17.971 4.176 -31.597 1.00 0.00 ATOM 519 CB ASN 70 -17.743 5.554 -31.019 1.00 0.00 ATOM 520 CG ASN 70 -18.270 6.625 -31.903 1.00 0.00 ATOM 521 ND2 ASN 70 -19.409 7.207 -31.551 1.00 0.00 ATOM 522 OD1 ASN 70 -17.659 6.890 -32.966 1.00 0.00 ATOM 523 O ASN 70 -15.821 3.255 -32.166 1.00 0.00 ATOM 524 C ASN 70 -16.698 3.388 -31.315 1.00 0.00 ATOM 525 N HIS 71 -16.608 2.903 -30.078 1.00 0.00 ATOM 526 CA HIS 71 -15.462 2.127 -29.650 1.00 0.00 ATOM 527 CB HIS 71 -15.551 1.888 -28.142 1.00 0.00 ATOM 528 CG HIS 71 -14.526 0.915 -27.650 1.00 0.00 ATOM 529 CD2 HIS 71 -14.593 -0.413 -27.438 1.00 0.00 ATOM 530 ND1 HIS 71 -13.234 1.287 -27.377 1.00 0.00 ATOM 531 CE1 HIS 71 -12.549 0.224 -27.024 1.00 0.00 ATOM 532 NE2 HIS 71 -13.357 -0.812 -27.064 1.00 0.00 ATOM 533 O HIS 71 -14.453 0.422 -30.980 1.00 0.00 ATOM 534 C HIS 71 -15.445 0.779 -30.440 1.00 0.00 ATOM 535 N CYS 72 -16.591 0.137 -30.547 1.00 0.00 ATOM 536 CA CYS 72 -16.684 -1.099 -31.252 1.00 0.00 ATOM 537 CB CYS 72 -17.923 -1.890 -30.860 1.00 0.00 ATOM 538 SG CYS 72 -17.757 -2.418 -29.028 1.00 0.00 ATOM 539 O CYS 72 -16.291 -2.182 -33.334 1.00 0.00 ATOM 540 C CYS 72 -16.475 -1.102 -32.753 1.00 0.00 ATOM 541 N ARG 73 -16.309 0.083 -33.346 1.00 0.00 ATOM 542 CA ARG 73 -16.153 0.188 -34.792 1.00 0.00 ATOM 543 CB ARG 73 -17.383 0.905 -35.379 1.00 0.00 ATOM 544 CG ARG 73 -17.265 2.312 -35.900 1.00 0.00 ATOM 545 CD ARG 73 -18.650 2.759 -36.467 1.00 0.00 ATOM 546 NE ARG 73 -19.039 4.005 -35.815 1.00 0.00 ATOM 547 CZ ARG 73 -20.183 4.193 -35.168 1.00 0.00 ATOM 548 NH1 ARG 73 -21.106 3.234 -35.119 1.00 0.00 ATOM 549 NH2 ARG 73 -20.297 5.248 -34.369 1.00 0.00 ATOM 550 O ARG 73 -14.419 0.616 -36.363 1.00 0.00 ATOM 551 C ARG 73 -14.797 0.670 -35.200 1.00 0.00 ATOM 552 N ARG 74 -13.972 0.931 -34.196 1.00 0.00 ATOM 553 CA ARG 74 -12.600 1.339 -34.432 1.00 0.00 ATOM 554 CB ARG 74 -11.975 1.902 -33.131 1.00 0.00 ATOM 555 CG ARG 74 -12.669 3.189 -32.753 1.00 0.00 ATOM 556 CD ARG 74 -12.137 3.873 -31.562 1.00 0.00 ATOM 557 NE ARG 74 -10.740 4.283 -31.719 1.00 0.00 ATOM 558 CZ ARG 74 -10.008 4.829 -30.745 1.00 0.00 ATOM 559 NH1 ARG 74 -10.567 5.059 -29.539 1.00 0.00 ATOM 560 NH2 ARG 74 -8.693 5.011 -30.930 1.00 0.00 ATOM 561 O ARG 74 -12.082 -0.966 -34.495 1.00 0.00 ATOM 562 C ARG 74 -11.822 0.132 -34.911 1.00 0.00 ATOM 563 N PRO 75 -10.960 0.321 -35.895 1.00 0.00 ATOM 564 CA PRO 75 -10.108 -0.738 -36.463 1.00 0.00 ATOM 565 CB PRO 75 -9.075 0.050 -37.285 1.00 0.00 ATOM 566 CG PRO 75 -9.953 1.160 -37.875 1.00 0.00 ATOM 567 CD PRO 75 -10.794 1.601 -36.648 1.00 0.00 ATOM 568 O PRO 75 -9.341 -2.800 -35.413 1.00 0.00 ATOM 569 C PRO 75 -9.378 -1.558 -35.362 1.00 0.00 ATOM 570 N ARG 76 -8.919 -0.844 -34.331 1.00 0.00 ATOM 571 CA ARG 76 -8.199 -1.470 -33.230 1.00 0.00 ATOM 572 CB ARG 76 -7.646 -0.415 -32.254 1.00 0.00 ATOM 573 CG ARG 76 -6.806 -0.960 -31.176 1.00 0.00 ATOM 574 CD ARG 76 -5.925 0.094 -30.523 1.00 0.00 ATOM 575 NE ARG 76 -5.454 -0.473 -29.254 1.00 0.00 ATOM 576 CZ ARG 76 -4.747 0.171 -28.318 1.00 0.00 ATOM 577 NH1 ARG 76 -4.406 1.474 -28.461 1.00 0.00 ATOM 578 NH2 ARG 76 -4.319 -0.521 -27.265 1.00 0.00 ATOM 579 O ARG 76 -8.541 -3.545 -32.116 1.00 0.00 ATOM 580 C ARG 76 -9.046 -2.508 -32.499 1.00 0.00 ATOM 581 N TYR 77 -10.345 -2.261 -32.414 1.00 0.00 ATOM 582 CA TYR 77 -11.250 -3.173 -31.728 1.00 0.00 ATOM 583 CB TYR 77 -12.566 -2.512 -31.424 1.00 0.00 ATOM 584 CG TYR 77 -13.450 -3.379 -30.580 1.00 0.00 ATOM 585 CD1 TYR 77 -13.090 -3.697 -29.239 1.00 0.00 ATOM 586 CD2 TYR 77 -14.611 -3.983 -31.114 1.00 0.00 ATOM 587 CE1 TYR 77 -13.862 -4.610 -28.455 1.00 0.00 ATOM 588 CE2 TYR 77 -15.385 -4.913 -30.309 1.00 0.00 ATOM 589 CZ TYR 77 -14.988 -5.206 -28.973 1.00 0.00 ATOM 590 OH TYR 77 -15.761 -6.045 -28.156 1.00 0.00 ATOM 591 O TYR 77 -11.610 -5.554 -32.088 1.00 0.00 ATOM 592 C TYR 77 -11.522 -4.438 -32.592 1.00 0.00 ATOM 593 N LEU 78 -11.741 -4.197 -33.874 1.00 0.00 ATOM 594 CA LEU 78 -12.018 -5.218 -34.836 1.00 0.00 ATOM 595 CB LEU 78 -12.289 -4.531 -36.167 1.00 0.00 ATOM 596 CG LEU 78 -13.714 -4.463 -36.725 1.00 0.00 ATOM 597 CD1 LEU 78 -14.785 -4.450 -35.749 1.00 0.00 ATOM 598 CD2 LEU 78 -13.799 -3.224 -37.667 1.00 0.00 ATOM 599 O LEU 78 -10.913 -7.333 -34.963 1.00 0.00 ATOM 600 C LEU 78 -10.762 -6.145 -34.897 1.00 0.00 ATOM 601 N LYS 79 -9.549 -5.573 -34.828 1.00 0.00 ATOM 602 CA LYS 79 -8.287 -6.337 -34.819 1.00 0.00 ATOM 603 CB LYS 79 -7.070 -5.481 -34.599 1.00 0.00 ATOM 604 CG LYS 79 -6.444 -4.882 -35.741 1.00 0.00 ATOM 605 CD LYS 79 -4.926 -4.593 -35.425 1.00 0.00 ATOM 606 CE LYS 79 -4.638 -3.342 -34.502 1.00 0.00 ATOM 607 NZ LYS 79 -3.497 -3.574 -33.486 1.00 0.00 ATOM 608 O LYS 79 -7.745 -8.331 -33.619 1.00 0.00 ATOM 609 C LYS 79 -8.256 -7.230 -33.566 1.00 0.00 ATOM 610 N ALA 80 -8.782 -6.721 -32.455 1.00 0.00 ATOM 611 CA ALA 80 -8.765 -7.491 -31.213 1.00 0.00 ATOM 612 CB ALA 80 -9.208 -6.618 -29.978 1.00 0.00 ATOM 613 O ALA 80 -9.606 -9.671 -30.872 1.00 0.00 ATOM 614 C ALA 80 -9.780 -8.625 -31.407 1.00 0.00 ATOM 615 N LEU 81 -10.848 -8.385 -32.150 1.00 0.00 ATOM 616 CA LEU 81 -11.781 -9.466 -32.349 1.00 0.00 ATOM 617 CB LEU 81 -13.120 -8.970 -32.863 1.00 0.00 ATOM 618 CG LEU 81 -14.029 -8.142 -31.992 1.00 0.00 ATOM 619 CD1 LEU 81 -15.291 -7.917 -32.855 1.00 0.00 ATOM 620 CD2 LEU 81 -14.422 -8.859 -30.700 1.00 0.00 ATOM 621 O LEU 81 -11.261 -11.698 -33.096 1.00 0.00 ATOM 622 C LEU 81 -11.147 -10.528 -33.338 1.00 0.00 ATOM 623 N ALA 82 -10.278 -10.075 -34.212 1.00 0.00 ATOM 624 CA ALA 82 -9.604 -10.948 -35.127 1.00 0.00 ATOM 625 CB ALA 82 -8.857 -10.153 -36.186 1.00 0.00 ATOM 626 O ALA 82 -8.212 -12.906 -34.720 1.00 0.00 ATOM 627 C ALA 82 -8.551 -11.796 -34.327 1.00 0.00 ATOM 628 N ARG 83 -8.050 -11.229 -33.220 1.00 0.00 ATOM 629 CA ARG 83 -7.057 -11.886 -32.410 1.00 0.00 ATOM 630 CB ARG 83 -6.308 -10.868 -31.503 1.00 0.00 ATOM 631 CG ARG 83 -5.341 -11.454 -30.511 1.00 0.00 ATOM 632 CD ARG 83 -4.586 -10.420 -29.720 1.00 0.00 ATOM 633 NE ARG 83 -3.999 -11.114 -28.607 1.00 0.00 ATOM 634 CZ ARG 83 -3.348 -10.578 -27.578 1.00 0.00 ATOM 635 NH1 ARG 83 -3.154 -9.265 -27.502 1.00 0.00 ATOM 636 NH2 ARG 83 -3.050 -11.361 -26.523 1.00 0.00 ATOM 637 O ARG 83 -7.273 -14.110 -31.565 1.00 0.00 ATOM 638 C ARG 83 -7.805 -13.009 -31.671 1.00 0.00 ATOM 639 N GLY 84 -9.055 -12.748 -31.321 1.00 0.00 ATOM 640 CA GLY 84 -9.821 -13.771 -30.678 1.00 0.00 ATOM 641 O GLY 84 -8.839 -13.218 -28.592 1.00 0.00 ATOM 642 C GLY 84 -9.510 -14.031 -29.223 1.00 0.00 ATOM 643 N GLY 85 -9.974 -15.146 -28.682 1.00 0.00 ATOM 644 CA GLY 85 -9.717 -15.456 -27.306 1.00 0.00 ATOM 645 O GLY 85 -11.976 -14.834 -26.922 1.00 0.00 ATOM 646 C GLY 85 -10.859 -15.060 -26.435 1.00 0.00 ATOM 647 N LYS 86 -10.557 -14.863 -25.148 1.00 0.00 ATOM 648 CA LYS 86 -11.598 -14.531 -24.181 1.00 0.00 ATOM 649 CB LYS 86 -11.086 -14.791 -22.753 1.00 0.00 ATOM 650 CG LYS 86 -10.646 -16.249 -22.450 1.00 0.00 ATOM 651 CD LYS 86 -11.881 -16.907 -22.047 1.00 0.00 ATOM 652 CE LYS 86 -11.725 -18.202 -21.402 1.00 0.00 ATOM 653 NZ LYS 86 -13.118 -18.726 -21.135 1.00 0.00 ATOM 654 O LYS 86 -11.509 -12.166 -24.738 1.00 0.00 ATOM 655 C LYS 86 -12.177 -13.082 -24.247 1.00 0.00 ATOM 656 N ARG 87 -13.407 -12.940 -23.777 1.00 0.00 ATOM 657 CA ARG 87 -14.039 -11.657 -23.638 1.00 0.00 ATOM 658 CB ARG 87 -15.501 -11.607 -24.162 1.00 0.00 ATOM 659 CG ARG 87 -15.640 -11.604 -25.700 1.00 0.00 ATOM 660 CD ARG 87 -17.098 -11.874 -26.087 1.00 0.00 ATOM 661 NE ARG 87 -17.262 -11.888 -27.524 1.00 0.00 ATOM 662 CZ ARG 87 -17.253 -10.819 -28.312 1.00 0.00 ATOM 663 NH1 ARG 87 -17.088 -9.611 -27.793 1.00 0.00 ATOM 664 NH2 ARG 87 -17.183 -10.971 -29.636 1.00 0.00 ATOM 665 O ARG 87 -13.836 -12.120 -21.229 1.00 0.00 ATOM 666 C ARG 87 -13.965 -11.259 -22.142 1.00 0.00 ATOM 667 N PHE 88 -13.927 -9.945 -21.922 1.00 0.00 ATOM 668 CA PHE 88 -13.726 -9.379 -20.611 1.00 0.00 ATOM 669 CB PHE 88 -12.394 -8.616 -20.592 1.00 0.00 ATOM 670 CG PHE 88 -11.184 -9.464 -20.781 1.00 0.00 ATOM 671 CD1 PHE 88 -10.349 -9.789 -19.672 1.00 0.00 ATOM 672 CD2 PHE 88 -10.782 -9.916 -22.085 1.00 0.00 ATOM 673 CE1 PHE 88 -9.154 -10.519 -19.828 1.00 0.00 ATOM 674 CE2 PHE 88 -9.578 -10.666 -22.292 1.00 0.00 ATOM 675 CZ PHE 88 -8.736 -10.973 -21.134 1.00 0.00 ATOM 676 O PHE 88 -15.376 -7.638 -20.884 1.00 0.00 ATOM 677 C PHE 88 -14.820 -8.437 -20.116 1.00 0.00 ATOM 678 N ASP 89 -14.986 -8.473 -18.785 1.00 0.00 ATOM 679 CA ASP 89 -15.889 -7.717 -17.881 1.00 0.00 ATOM 680 CB ASP 89 -15.621 -8.248 -16.428 1.00 0.00 ATOM 681 CG ASP 89 -16.663 -9.107 -15.966 1.00 0.00 ATOM 682 OD1 ASP 89 -17.712 -9.043 -16.643 1.00 0.00 ATOM 683 OD2 ASP 89 -16.471 -9.840 -14.987 1.00 0.00 ATOM 684 O ASP 89 -14.173 -6.121 -18.008 1.00 0.00 ATOM 685 C ASP 89 -15.359 -6.344 -17.740 1.00 0.00 ATOM 686 N LEU 90 -16.141 -5.534 -17.029 1.00 0.00 ATOM 687 CA LEU 90 -15.710 -4.183 -16.636 1.00 0.00 ATOM 688 CB LEU 90 -16.845 -3.336 -16.071 1.00 0.00 ATOM 689 CG LEU 90 -17.738 -2.712 -17.146 1.00 0.00 ATOM 690 CD1 LEU 90 -18.727 -1.840 -16.407 1.00 0.00 ATOM 691 CD2 LEU 90 -16.925 -1.840 -18.099 1.00 0.00 ATOM 692 O LEU 90 -13.802 -3.419 -15.444 1.00 0.00 ATOM 693 C LEU 90 -14.639 -4.302 -15.556 1.00 0.00 ATOM 694 N ASN 91 -14.596 -5.462 -14.889 1.00 0.00 ATOM 695 CA ASN 91 -13.616 -5.793 -13.839 1.00 0.00 ATOM 696 CB ASN 91 -14.255 -6.656 -12.739 1.00 0.00 ATOM 697 CG ASN 91 -15.301 -5.895 -11.943 1.00 0.00 ATOM 698 ND2 ASN 91 -16.337 -6.602 -11.491 1.00 0.00 ATOM 699 OD1 ASN 91 -15.195 -4.681 -11.761 1.00 0.00 ATOM 700 O ASN 91 -11.619 -7.096 -13.578 1.00 0.00 ATOM 701 C ASN 91 -12.405 -6.520 -14.365 1.00 0.00 ATOM 702 N ASN 92 -12.238 -6.528 -15.683 1.00 0.00 ATOM 703 CA ASN 92 -11.110 -7.197 -16.333 1.00 0.00 ATOM 704 CB ASN 92 -9.807 -6.449 -16.035 1.00 0.00 ATOM 705 CG ASN 92 -8.935 -6.297 -17.245 1.00 0.00 ATOM 706 ND2 ASN 92 -9.149 -7.152 -18.237 1.00 0.00 ATOM 707 OD1 ASN 92 -8.088 -5.400 -17.306 1.00 0.00 ATOM 708 O ASN 92 -9.862 -9.274 -16.106 1.00 0.00 ATOM 709 C ASN 92 -10.963 -8.712 -16.086 1.00 0.00 ATOM 710 N ARG 93 -12.102 -9.365 -15.906 1.00 0.00 ATOM 711 CA ARG 93 -12.205 -10.804 -15.724 1.00 0.00 ATOM 712 CB ARG 93 -13.091 -11.149 -14.549 1.00 0.00 ATOM 713 CG ARG 93 -12.534 -10.652 -13.251 1.00 0.00 ATOM 714 CD ARG 93 -13.033 -11.429 -12.030 1.00 0.00 ATOM 715 NE ARG 93 -12.981 -10.513 -10.878 1.00 0.00 ATOM 716 CZ ARG 93 -14.047 -9.994 -10.247 1.00 0.00 ATOM 717 NH1 ARG 93 -15.307 -10.302 -10.618 1.00 0.00 ATOM 718 NH2 ARG 93 -13.859 -9.104 -9.272 1.00 0.00 ATOM 719 O ARG 93 -13.703 -10.894 -17.587 1.00 0.00 ATOM 720 C ARG 93 -12.846 -11.470 -16.934 1.00 0.00 ATOM 721 N PHE 94 -12.455 -12.713 -17.187 1.00 0.00 ATOM 722 CA PHE 94 -12.990 -13.560 -18.233 1.00 0.00 ATOM 723 CB PHE 94 -12.400 -14.961 -18.117 1.00 0.00 ATOM 724 CG PHE 94 -10.905 -15.044 -18.413 1.00 0.00 ATOM 725 CD1 PHE 94 -10.219 -14.016 -19.086 1.00 0.00 ATOM 726 CD2 PHE 94 -10.202 -16.218 -18.082 1.00 0.00 ATOM 727 CE1 PHE 94 -8.848 -14.160 -19.448 1.00 0.00 ATOM 728 CE2 PHE 94 -8.850 -16.369 -18.427 1.00 0.00 ATOM 729 CZ PHE 94 -8.172 -15.343 -19.113 1.00 0.00 ATOM 730 O PHE 94 -15.010 -13.789 -17.038 1.00 0.00 ATOM 731 C PHE 94 -14.471 -13.672 -18.133 1.00 0.00 ATOM 732 N LYS 95 -15.149 -13.403 -19.248 1.00 0.00 ATOM 733 CA LYS 95 -16.622 -13.542 -19.343 1.00 0.00 ATOM 734 CB LYS 95 -17.350 -12.351 -18.668 1.00 0.00 ATOM 735 CG LYS 95 -18.876 -12.573 -18.573 1.00 0.00 ATOM 736 CD LYS 95 -19.523 -11.525 -17.669 1.00 0.00 ATOM 737 CE LYS 95 -21.009 -11.559 -17.783 1.00 0.00 ATOM 738 NZ LYS 95 -21.496 -10.394 -16.971 1.00 0.00 ATOM 739 O LYS 95 -17.305 -12.831 -21.594 1.00 0.00 ATOM 740 C LYS 95 -17.021 -13.768 -20.819 1.00 0.00 ATOM 741 N GLY 96 -16.991 -15.054 -21.194 1.00 0.00 ATOM 742 CA GLY 96 -17.339 -15.554 -22.531 1.00 0.00 ATOM 743 O GLY 96 -14.953 -15.515 -22.946 1.00 0.00 ATOM 744 C GLY 96 -16.105 -15.558 -23.424 1.00 0.00 ATOM 745 N GLU 97 -16.325 -15.646 -24.726 1.00 0.00 ATOM 746 CA GLU 97 -15.225 -15.620 -25.665 1.00 0.00 ATOM 747 CB GLU 97 -14.569 -17.004 -25.824 1.00 0.00 ATOM 748 CG GLU 97 -15.557 -18.107 -26.208 1.00 0.00 ATOM 749 CD GLU 97 -15.566 -19.219 -25.145 1.00 0.00 ATOM 750 OE1 GLU 97 -16.155 -18.975 -24.020 1.00 0.00 ATOM 751 OE2 GLU 97 -14.932 -20.314 -25.432 1.00 0.00 ATOM 752 O GLU 97 -16.856 -15.030 -27.328 1.00 0.00 ATOM 753 C GLU 97 -15.673 -15.131 -27.054 1.00 0.00 ATOM 754 N VAL 98 -14.694 -14.890 -27.919 1.00 0.00 ATOM 755 CA VAL 98 -14.944 -14.518 -29.277 1.00 0.00 ATOM 756 CB VAL 98 -13.768 -13.840 -29.926 1.00 0.00 ATOM 757 CG1 VAL 98 -14.061 -13.567 -31.416 1.00 0.00 ATOM 758 CG2 VAL 98 -13.465 -12.485 -29.207 1.00 0.00 ATOM 759 O VAL 98 -14.247 -16.696 -29.985 1.00 0.00 ATOM 760 C VAL 98 -15.140 -15.880 -29.983 1.00 0.00 ATOM 761 N THR 99 -16.316 -16.071 -30.574 1.00 0.00 ATOM 762 CA THR 99 -16.701 -17.271 -31.300 1.00 0.00 ATOM 763 CB THR 99 -18.235 -17.218 -31.697 1.00 0.00 ATOM 764 CG2 THR 99 -19.094 -17.070 -30.540 1.00 0.00 ATOM 765 OG1 THR 99 -18.448 -16.137 -32.643 1.00 0.00 ATOM 766 O THR 99 -15.311 -16.360 -33.041 1.00 0.00 ATOM 767 C THR 99 -15.911 -17.365 -32.589 1.00 0.00 ATOM 768 N PRO 100 -15.870 -18.582 -33.214 1.00 0.00 ATOM 769 CA PRO 100 -15.104 -18.663 -34.498 1.00 0.00 ATOM 770 CB PRO 100 -15.112 -20.165 -34.813 1.00 0.00 ATOM 771 CG PRO 100 -15.073 -20.770 -33.414 1.00 0.00 ATOM 772 CD PRO 100 -16.137 -19.941 -32.669 1.00 0.00 ATOM 773 O PRO 100 -15.034 -17.142 -36.335 1.00 0.00 ATOM 774 C PRO 100 -15.755 -17.801 -35.591 1.00 0.00 ATOM 775 N GLU 101 -17.080 -17.666 -35.569 1.00 0.00 ATOM 776 CA GLU 101 -17.777 -16.821 -36.549 1.00 0.00 ATOM 777 CB GLU 101 -19.295 -17.063 -36.406 1.00 0.00 ATOM 778 CG GLU 101 -20.130 -16.116 -37.253 1.00 0.00 ATOM 779 CD GLU 101 -21.651 -16.227 -36.981 1.00 0.00 ATOM 780 OE1 GLU 101 -22.284 -17.219 -37.385 1.00 0.00 ATOM 781 OE2 GLU 101 -22.231 -15.302 -36.421 1.00 0.00 ATOM 782 O GLU 101 -17.023 -14.637 -37.382 1.00 0.00 ATOM 783 C GLU 101 -17.402 -15.296 -36.391 1.00 0.00 ATOM 784 N GLU 102 -17.452 -14.742 -35.166 1.00 0.00 ATOM 785 CA GLU 102 -17.078 -13.319 -34.957 1.00 0.00 ATOM 786 CB GLU 102 -17.220 -12.877 -33.501 1.00 0.00 ATOM 787 CG GLU 102 -18.583 -13.125 -32.972 1.00 0.00 ATOM 788 CD GLU 102 -18.681 -13.305 -31.424 1.00 0.00 ATOM 789 OE1 GLU 102 -17.695 -13.582 -30.732 1.00 0.00 ATOM 790 OE2 GLU 102 -19.822 -13.232 -30.907 1.00 0.00 ATOM 791 O GLU 102 -15.330 -12.221 -36.130 1.00 0.00 ATOM 792 C GLU 102 -15.642 -13.131 -35.362 1.00 0.00 ATOM 793 N GLN 103 -14.791 -14.088 -35.033 1.00 0.00 ATOM 794 CA GLN 103 -13.399 -13.960 -35.421 1.00 0.00 ATOM 795 CB GLN 103 -12.570 -15.113 -34.755 1.00 0.00 ATOM 796 CG GLN 103 -11.072 -14.950 -34.841 1.00 0.00 ATOM 797 CD GLN 103 -10.313 -16.018 -34.022 1.00 0.00 ATOM 798 OE1 GLN 103 -10.869 -17.118 -33.696 1.00 0.00 ATOM 799 NE2 GLN 103 -9.021 -15.708 -33.694 1.00 0.00 ATOM 800 O GLN 103 -12.294 -13.147 -37.392 1.00 0.00 ATOM 801 C GLN 103 -13.155 -13.933 -36.922 1.00 0.00 ATOM 802 N ALA 104 -13.811 -14.846 -37.654 1.00 0.00 ATOM 803 CA ALA 104 -13.633 -14.894 -39.102 1.00 0.00 ATOM 804 CB ALA 104 -14.292 -16.160 -39.719 1.00 0.00 ATOM 805 O ALA 104 -13.562 -13.090 -40.730 1.00 0.00 ATOM 806 C ALA 104 -14.172 -13.622 -39.783 1.00 0.00 ATOM 807 N ILE 105 -15.244 -13.066 -39.250 1.00 0.00 ATOM 808 CA ILE 105 -15.780 -11.857 -39.834 1.00 0.00 ATOM 809 CB ILE 105 -17.122 -11.550 -39.240 1.00 0.00 ATOM 810 CG1 ILE 105 -18.106 -12.570 -39.807 1.00 0.00 ATOM 811 CG2 ILE 105 -17.584 -10.132 -39.628 1.00 0.00 ATOM 812 CD1 ILE 105 -19.450 -12.633 -39.155 1.00 0.00 ATOM 813 O ILE 105 -14.537 -9.926 -40.505 1.00 0.00 ATOM 814 C ILE 105 -14.801 -10.707 -39.606 1.00 0.00 ATOM 815 N ALA 106 -14.196 -10.664 -38.424 1.00 0.00 ATOM 816 CA ALA 106 -13.237 -9.631 -38.128 1.00 0.00 ATOM 817 CB ALA 106 -12.952 -9.521 -36.617 1.00 0.00 ATOM 818 O ALA 106 -11.465 -8.762 -39.365 1.00 0.00 ATOM 819 C ALA 106 -11.965 -9.791 -38.902 1.00 0.00 ATOM 820 N GLN 107 -11.528 -11.039 -39.184 1.00 0.00 ATOM 821 CA GLN 107 -10.285 -11.254 -39.956 1.00 0.00 ATOM 822 CB GLN 107 -9.780 -12.684 -39.982 1.00 0.00 ATOM 823 CG GLN 107 -9.591 -13.209 -38.631 1.00 0.00 ATOM 824 CD GLN 107 -8.566 -14.283 -38.490 1.00 0.00 ATOM 825 OE1 GLN 107 -8.673 -15.094 -37.587 1.00 0.00 ATOM 826 NE2 GLN 107 -7.509 -14.245 -39.313 1.00 0.00 ATOM 827 O GLN 107 -9.381 -10.368 -41.914 1.00 0.00 ATOM 828 C GLN 107 -10.364 -10.834 -41.371 1.00 0.00 ATOM 829 N ASN 108 -11.546 -10.991 -41.959 1.00 0.00 ATOM 830 CA ASN 108 -11.763 -10.671 -43.364 1.00 0.00 ATOM 831 CB ASN 108 -12.734 -11.676 -44.053 1.00 0.00 ATOM 832 CG ASN 108 -12.433 -13.189 -43.683 1.00 0.00 ATOM 833 ND2 ASN 108 -13.499 -13.982 -43.481 1.00 0.00 ATOM 834 OD1 ASN 108 -11.252 -13.609 -43.558 1.00 0.00 ATOM 835 O ASN 108 -12.267 -8.769 -44.681 1.00 0.00 ATOM 836 C ASN 108 -12.216 -9.230 -43.550 1.00 0.00 ATOM 837 N HIS 109 -12.405 -8.487 -42.456 1.00 0.00 ATOM 838 CA HIS 109 -12.800 -7.105 -42.542 1.00 0.00 ATOM 839 CB HIS 109 -13.168 -6.526 -41.170 1.00 0.00 ATOM 840 CG HIS 109 -14.002 -5.293 -41.218 1.00 0.00 ATOM 841 CD2 HIS 109 -13.698 -4.030 -41.604 1.00 0.00 ATOM 842 ND1 HIS 109 -15.313 -5.262 -40.773 1.00 0.00 ATOM 843 CE1 HIS 109 -15.775 -4.026 -40.879 1.00 0.00 ATOM 844 NE2 HIS 109 -14.817 -3.259 -41.382 1.00 0.00 ATOM 845 O HIS 109 -10.546 -6.355 -42.852 1.00 0.00 ATOM 846 C HIS 109 -11.726 -6.246 -43.174 1.00 0.00 ATOM 847 N PRO 110 -12.121 -5.373 -44.118 1.00 0.00 ATOM 848 CA PRO 110 -11.154 -4.489 -44.788 1.00 0.00 ATOM 849 CB PRO 110 -12.052 -3.596 -45.620 1.00 0.00 ATOM 850 CG PRO 110 -13.076 -4.597 -46.133 1.00 0.00 ATOM 851 CD PRO 110 -13.415 -5.377 -44.860 1.00 0.00 ATOM 852 O PRO 110 -9.034 -3.617 -44.102 1.00 0.00 ATOM 853 C PRO 110 -10.252 -3.675 -43.863 1.00 0.00 ATOM 854 N PHE 111 -10.841 -3.103 -42.805 1.00 0.00 ATOM 855 CA PHE 111 -10.099 -2.261 -41.835 1.00 0.00 ATOM 856 CB PHE 111 -11.055 -1.554 -40.896 1.00 0.00 ATOM 857 CG PHE 111 -11.823 -0.460 -41.556 1.00 0.00 ATOM 858 CD1 PHE 111 -13.016 -0.734 -42.260 1.00 0.00 ATOM 859 CD2 PHE 111 -11.367 0.868 -41.500 1.00 0.00 ATOM 860 CE1 PHE 111 -13.767 0.287 -42.903 1.00 0.00 ATOM 861 CE2 PHE 111 -12.097 1.925 -42.139 1.00 0.00 ATOM 862 CZ PHE 111 -13.307 1.627 -42.841 1.00 0.00 ATOM 863 O PHE 111 -7.975 -2.547 -40.832 1.00 0.00 ATOM 864 C PHE 111 -9.042 -3.051 -41.063 1.00 0.00 ATOM 865 N VAL 112 -9.295 -4.346 -40.861 1.00 0.00 ATOM 866 CA VAL 112 -8.362 -5.279 -40.218 1.00 0.00 ATOM 867 CB VAL 112 -9.069 -6.572 -39.697 1.00 0.00 ATOM 868 CG1 VAL 112 -8.100 -7.642 -39.268 1.00 0.00 ATOM 869 CG2 VAL 112 -9.872 -6.215 -38.524 1.00 0.00 ATOM 870 O VAL 112 -6.140 -5.645 -40.794 1.00 0.00 ATOM 871 C VAL 112 -7.275 -5.638 -41.190 1.00 0.00 ATOM 872 N GLN 113 -7.607 -5.936 -42.448 1.00 0.00 ATOM 873 CA GLN 113 -6.607 -6.251 -43.489 1.00 0.00 ATOM 874 CB GLN 113 -7.265 -6.491 -44.855 1.00 0.00 ATOM 875 CG GLN 113 -8.315 -7.584 -44.920 1.00 0.00 ATOM 876 CD GLN 113 -7.707 -8.941 -44.865 1.00 0.00 ATOM 877 OE1 GLN 113 -7.474 -9.555 -45.894 1.00 0.00 ATOM 878 NE2 GLN 113 -7.384 -9.404 -43.660 1.00 0.00 ATOM 879 O GLN 113 -4.434 -5.328 -43.876 1.00 0.00 ATOM 880 C GLN 113 -5.593 -5.094 -43.633 1.00 0.00 ATOM 881 N GLN 114 -6.080 -3.855 -43.514 1.00 0.00 ATOM 882 CA GLN 114 -5.271 -2.631 -43.528 1.00 0.00 ATOM 883 CB GLN 114 -6.154 -1.370 -43.670 1.00 0.00 ATOM 884 CG GLN 114 -5.376 -0.033 -43.685 1.00 0.00 ATOM 885 CD GLN 114 -6.281 1.177 -43.897 1.00 0.00 ATOM 886 OE1 GLN 114 -7.312 1.310 -43.260 1.00 0.00 ATOM 887 NE2 GLN 114 -5.919 2.032 -44.836 1.00 0.00 ATOM 888 O GLN 114 -3.266 -2.600 -42.220 1.00 0.00 ATOM 889 C GLN 114 -4.490 -2.566 -42.196 1.00 0.00 ATOM 890 N ALA 115 -5.205 -2.582 -41.057 1.00 0.00 ATOM 891 CA ALA 115 -4.608 -2.478 -39.698 1.00 0.00 ATOM 892 CB ALA 115 -5.689 -2.461 -38.605 1.00 0.00 ATOM 893 O ALA 115 -2.747 -3.108 -38.374 1.00 0.00 ATOM 894 C ALA 115 -3.519 -3.436 -39.277 1.00 0.00 ATOM 895 N LEU 116 -3.542 -4.640 -39.852 1.00 0.00 ATOM 896 CA LEU 116 -2.561 -5.705 -39.592 1.00 0.00 ATOM 897 CB LEU 116 -3.206 -7.090 -39.693 1.00 0.00 ATOM 898 CG LEU 116 -3.770 -7.813 -38.487 1.00 0.00 ATOM 899 CD1 LEU 116 -4.848 -7.034 -37.941 1.00 0.00 ATOM 900 CD2 LEU 116 -4.334 -9.134 -38.908 1.00 0.00 ATOM 901 O LEU 116 -0.267 -5.783 -40.246 1.00 0.00 ATOM 902 C LEU 116 -1.448 -5.683 -40.627 1.00 0.00 ATOM 903 N GLN 117 -1.851 -5.605 -41.912 1.00 0.00 ATOM 904 CA GLN 117 -0.962 -5.615 -43.090 1.00 0.00 ATOM 905 CB GLN 117 -1.730 -6.198 -44.287 1.00 0.00 ATOM 906 CG GLN 117 -1.061 -6.229 -45.663 1.00 0.00 ATOM 907 CD GLN 117 -1.531 -5.086 -46.563 1.00 0.00 ATOM 908 OE1 GLN 117 -2.726 -4.897 -46.772 1.00 0.00 ATOM 909 NE2 GLN 117 -0.588 -4.293 -47.051 1.00 0.00 ATOM 910 O GLN 117 -0.808 -3.378 -44.023 1.00 0.00 ATOM 911 C GLN 117 -0.237 -4.287 -43.394 1.00 0.00 ATOM 912 N GLN 118 1.042 -4.217 -42.984 1.00 0.00 ATOM 913 CA GLN 118 1.868 -3.011 -43.142 1.00 0.00 ATOM 914 CB GLN 118 1.626 -2.062 -41.963 1.00 0.00 ATOM 915 CG GLN 118 1.666 -2.726 -40.592 1.00 0.00 ATOM 916 CD GLN 118 0.482 -2.336 -39.781 1.00 0.00 ATOM 917 OE1 GLN 118 0.622 -1.924 -38.634 1.00 0.00 ATOM 918 NE2 GLN 118 -0.710 -2.425 -40.386 1.00 0.00 ATOM 919 O GLN 118 3.817 -2.953 -44.476 1.00 0.00 ATOM 920 C GLN 118 3.379 -3.202 -43.330 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 T0360.undertaker-align.pdb looking for model 1 WARNING: atoms too close: (T0360)D36.C and (T0360)V37.C only 0 apart, marking (T0360)V37.C as missing WARNING: atoms too close: (T0360)V37.N and (T0360)F38.N only 0 apart, marking (T0360)V37.N as missing WARNING: atoms too close: (T0360)V37.CA and (T0360)F38.CA only 0 apart, marking (T0360)V37.CA as missing # WARNING: incomplete conformation T0360 can't currently be optimized by undertaker # command:# naming current conformation align1 # command:Warning: Couldn't open file decoys/align1.gdt for output # fraction of real conformation used = 0.991 # GDT_score = -56.681 # GDT_score(maxd=8.000,maxw=2.900)= -58.670 # GDT_score(maxd=8.000,maxw=3.200)= -56.205 # GDT_score(maxd=8.000,maxw=3.500)= -53.777 # GDT_score(maxd=10.000,maxw=3.800)= -56.089 # GDT_score(maxd=10.000,maxw=4.000)= -54.442 # GDT_score(maxd=10.000,maxw=4.200)= -52.846 # GDT_score(maxd=12.000,maxw=4.300)= -55.818 # GDT_score(maxd=12.000,maxw=4.500)= -54.260 # GDT_score(maxd=12.000,maxw=4.700)= -52.798 # GDT_score(maxd=14.000,maxw=5.200)= -52.187 # GDT_score(maxd=14.000,maxw=5.500)= -50.054 # command:# ReadConformPDB reading from PDB file T0360.undertaker-align.pdb looking for model 2 WARNING: atoms too close: (T0360)L81.C and (T0360)E102.C only 0 apart, marking (T0360)E102.C as missing WARNING: atoms too close: (T0360)A82.N and (T0360)Q103.N only 0 apart, marking (T0360)A82.N as missing WARNING: atoms too close: (T0360)A82.CA and (T0360)Q103.CA only 0 apart, marking (T0360)A82.CA as missing # WARNING: incomplete conformation T0360 can't currently be optimized by undertaker # command:# naming current conformation align2 # command:Warning: Couldn't open file decoys/align2.gdt for output # fraction of real conformation used = 0.802 # GDT_score = -19.181 # GDT_score(maxd=8.000,maxw=2.900)= -18.309 # GDT_score(maxd=8.000,maxw=3.200)= -17.772 # GDT_score(maxd=8.000,maxw=3.500)= -17.284 # GDT_score(maxd=10.000,maxw=3.800)= -18.638 # GDT_score(maxd=10.000,maxw=4.000)= -18.310 # GDT_score(maxd=10.000,maxw=4.200)= -18.012 # GDT_score(maxd=12.000,maxw=4.300)= -19.595 # GDT_score(maxd=12.000,maxw=4.500)= -19.261 # GDT_score(maxd=12.000,maxw=4.700)= -18.924 # GDT_score(maxd=14.000,maxw=5.200)= -19.646 # GDT_score(maxd=14.000,maxw=5.500)= -19.006 # command:# ReadConformPDB reading from PDB file T0360.undertaker-align.pdb looking for model 3 WARNING: atoms too close: (T0360)D29.C and (T0360)K34.C only 0 apart, marking (T0360)K34.C as missing WARNING: atoms too close: (T0360)H30.N and (T0360)Y35.N only 0 apart, marking (T0360)H30.N as missing WARNING: atoms too close: (T0360)H30.CA and (T0360)Y35.CA only 0 apart, marking (T0360)H30.CA as missing # WARNING: incomplete conformation T0360 can't currently be optimized by undertaker # command:# naming current conformation align3 # command:# ReadConformPDB reading from PDB file T0360.undertaker-align.pdb looking for model 4 WARNING: atoms too close: (T0360)A28.C and (T0360)V37.C only 0 apart, marking (T0360)V37.C as missing WARNING: atoms too close: (T0360)D29.N and (T0360)F38.N only 0 apart, marking (T0360)D29.N as missing WARNING: atoms too close: (T0360)D29.CA and (T0360)F38.CA only 0 apart, marking (T0360)D29.CA as missing WARNING: atoms too close: (T0360)H71.C and (T0360)A80.C only 0 apart, marking (T0360)A80.C as missing WARNING: atoms too close: (T0360)C72.N and (T0360)L81.N only 0 apart, marking (T0360)C72.N as missing WARNING: atoms too close: (T0360)C72.CA and (T0360)L81.CA only 0 apart, marking (T0360)C72.CA as missing WARNING: atoms too close: (T0360)Q103.C and (T0360)Q117.C only 0 apart, marking (T0360)Q117.C as missing WARNING: atoms too close: (T0360)A104.N and (T0360)Q118.N only 0 apart, marking (T0360)A104.N as missing WARNING: atoms too close: (T0360)A104.CA and (T0360)Q118.CA only 0 apart, marking (T0360)A104.CA as missing # WARNING: incomplete conformation T0360 can't currently be optimized by undertaker # command:# naming current conformation align4 # command:# ReadConformPDB reading from PDB file T0360.undertaker-align.pdb looking for model 5 WARNING: atoms too close: (T0360)H71.C and (T0360)R76.C only 0 apart, marking (T0360)R76.C as missing WARNING: atoms too close: (T0360)C72.N and (T0360)Y77.N only 0 apart, marking (T0360)C72.N as missing WARNING: atoms too close: (T0360)C72.CA and (T0360)Y77.CA only 0 apart, marking (T0360)C72.CA as missing WARNING: atoms too close: (T0360)F88.C and (T0360)F94.C only 0 apart, marking (T0360)F94.C as missing WARNING: atoms too close: (T0360)D89.N and (T0360)K95.N only 0 apart, marking (T0360)D89.N as missing WARNING: atoms too close: (T0360)D89.CA and (T0360)K95.CA only 0 apart, marking (T0360)D89.CA as missing # WARNING: incomplete conformation T0360 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 111 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file ../model2.ts-submitted looking for model 1 # Found a chain break before 96 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file ../model3.ts-submitted looking for model 1 # Found a chain break before 84 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file ../model4.ts-submitted looking for model 1 # Found a chain break before 84 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file ../model5.ts-submitted looking for model 1 # Found a chain break before 88 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0360.try1-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 47 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0360.try1-opt1.pdb.gz looking for model 1 # Found a chain break before 47 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0360.try1-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 109 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0360.try1-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 T0360.try1-opt2.pdb.gz looking for model 1 # Found a chain break before 91 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0360.try1-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 91 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0360.try10-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 84 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0360.try10-opt1.pdb.gz looking for model 1 # Found a chain break before 84 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0360.try10-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 32 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0360.try10-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 32 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0360.try10-opt2.pdb.gz looking for model 1 # Found a chain break before 84 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0360.try10-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 84 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0360.try11-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 84 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0360.try11-opt1.pdb.gz looking for model 1 # Found a chain break before 84 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0360.try11-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 71 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0360.try11-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 71 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0360.try11-opt2.pdb.gz looking for model 1 # Found a chain break before 84 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0360.try11-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 84 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0360.try12-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 84 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0360.try12-opt1.pdb.gz looking for model 1 # Found a chain break before 84 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0360.try12-opt2.gromacs0.pdb.gz looking for model 1 # ReadConformPDB reading from PDB file T0360.try12-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # ReadConformPDB reading from PDB file T0360.try12-opt2.pdb.gz looking for model 1 # Found a chain break before 84 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0360.try12-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 84 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0360.try13-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 84 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0360.try13-opt1.pdb.gz looking for model 1 # Found a chain break before 84 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0360.try13-opt2.gromacs0.pdb.gz looking for model 1 # ReadConformPDB reading from PDB file T0360.try13-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # ReadConformPDB reading from PDB file T0360.try13-opt2.pdb.gz looking for model 1 # Found a chain break before 84 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0360.try13-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 84 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0360.try14-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 111 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0360.try14-opt1.pdb.gz looking for model 1 # Found a chain break before 111 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0360.try14-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 67 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0360.try14-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 67 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0360.try14-opt2.pdb.gz looking for model 1 # Found a chain break before 111 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0360.try14-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 111 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0360.try15-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 111 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0360.try15-opt1.pdb.gz looking for model 1 # Found a chain break before 111 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0360.try15-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 109 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0360.try15-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 T0360.try15-opt2.pdb.gz looking for model 1 # Found a chain break before 111 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0360.try15-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 111 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0360.try16-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 38 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0360.try16-opt1.pdb.gz looking for model 1 # Found a chain break before 38 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0360.try16-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 106 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0360.try16-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 T0360.try16-opt2.pdb.gz looking for model 1 # Found a chain break before 38 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0360.try16-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 38 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0360.try17-opt2.gromacs0.pdb.gz looking for model 1 Error: Reading chain from PDB file T0360.try17-opt2.gromacs0.pdb.gz failed. # ReadConformPDB reading from PDB file T0360.try18-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 96 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0360.try18-opt1.pdb.gz looking for model 1 # Found a chain break before 96 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0360.try18-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 29 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0360.try18-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 29 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0360.try18-opt2.pdb.gz looking for model 1 # Found a chain break before 96 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0360.try18-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 96 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0360.try19-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 109 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0360.try19-opt1.pdb.gz looking for model 1 # Found a chain break before 109 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0360.try19-opt2.gromacs0.pdb.gz looking for model 1 # ReadConformPDB reading from PDB file T0360.try19-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # ReadConformPDB reading from PDB file T0360.try19-opt2.pdb.gz looking for model 1 # Found a chain break before 38 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0360.try19-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 38 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0360.try2-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 111 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0360.try2-opt1.pdb.gz looking for model 1 # Found a chain break before 111 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0360.try2-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 106 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0360.try2-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 T0360.try2-opt2.pdb.gz looking for model 1 # Found a chain break before 111 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0360.try2-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 111 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0360.try20-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 84 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0360.try20-opt1.pdb.gz looking for model 1 # Found a chain break before 84 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0360.try20-opt2.gromacs0.pdb.gz looking for model 1 # ReadConformPDB reading from PDB file T0360.try20-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # ReadConformPDB reading from PDB file T0360.try20-opt2.pdb.gz looking for model 1 # Found a chain break before 84 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0360.try20-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 84 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0360.try21-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 47 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0360.try21-opt1.pdb.gz looking for model 1 # Found a chain break before 47 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0360.try21-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 109 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0360.try21-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 T0360.try21-opt2.pdb.gz looking for model 1 # Found a chain break before 127 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0360.try21-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 127 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0360.try22-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 119 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0360.try22-opt1.pdb.gz looking for model 1 # Found a chain break before 119 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0360.try22-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 109 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0360.try22-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 T0360.try22-opt2.pdb.gz looking for model 1 # Found a chain break before 119 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0360.try22-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 119 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0360.try23-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 119 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0360.try23-opt1.pdb.gz looking for model 1 # Found a chain break before 119 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0360.try23-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 109 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0360.try23-opt2.pdb.gz looking for model 1 # Found a chain break before 119 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0360.try23-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 119 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0360.try24-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 74 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0360.try24-opt1.pdb.gz looking for model 1 # Found a chain break before 74 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0360.try24-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 88 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0360.try24-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 88 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0360.try24-opt2.pdb.gz looking for model 1 # Found a chain break before 37 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0360.try24-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 37 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0360.try3-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 93 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0360.try3-opt1.pdb.gz looking for model 1 # Found a chain break before 93 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0360.try3-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 106 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0360.try3-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 T0360.try3-opt2.pdb.gz looking for model 1 # Found a chain break before 111 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0360.try3-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 111 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0360.try4-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 116 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0360.try4-opt1.pdb.gz looking for model 1 # Found a chain break before 116 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0360.try4-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 109 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0360.try4-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 T0360.try4-opt2.pdb.gz looking for model 1 # Found a chain break before 116 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0360.try4-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 116 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0360.try5-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 67 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0360.try5-opt1.pdb.gz looking for model 1 # Found a chain break before 67 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0360.try5-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 67 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0360.try5-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 67 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0360.try5-opt2.pdb.gz looking for model 1 # Found a chain break before 111 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0360.try5-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 111 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0360.try6-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 109 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0360.try6-opt1.pdb.gz looking for model 1 # Found a chain break before 109 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0360.try6-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 109 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0360.try6-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 T0360.try6-opt2.pdb.gz looking for model 1 # Found a chain break before 109 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0360.try6-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 109 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0360.try7-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 98 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0360.try7-opt1.pdb.gz looking for model 1 # Found a chain break before 98 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0360.try7-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 109 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0360.try7-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 T0360.try7-opt2.pdb.gz looking for model 1 # Found a chain break before 98 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0360.try7-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 98 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0360.try8-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 84 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0360.try8-opt1.pdb.gz looking for model 1 # Found a chain break before 84 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0360.try8-opt2.gromacs0.pdb.gz looking for model 1 # ReadConformPDB reading from PDB file T0360.try8-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # ReadConformPDB reading from PDB file T0360.try8-opt2.pdb.gz looking for model 1 # Found a chain break before 84 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0360.try8-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 84 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0360.try9-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 74 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0360.try9-opt1.pdb.gz looking for model 1 # Found a chain break before 74 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0360.try9-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 71 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0360.try9-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 71 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0360.try9-opt2.pdb.gz looking for model 1 # Found a chain break before 84 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0360.try9-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 84 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file XXXX_0001.pdb.gz looking for model 1 Error: Reading chain from PDB file XXXX_0001.pdb.gz failed. # ReadConformPDB reading from PDB file servers/3D-JIGSAW_POPULUS_TS1.pdb.gz looking for model 1 # Found a chain break before 137 # copying to AlignedFragments data structure # naming current conformation 3D-JIGSAW_POPULUS_TS1 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_1053678068.pdb -s /var/tmp/to_scwrl_1053678068.seq -o /var/tmp/from_scwrl_1053678068.pdb > /var/tmp/scwrl_1053678068.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1053678068.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 T0360 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation 3D-JIGSAW_POPULUS_TS2 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_106921858.pdb -s /var/tmp/to_scwrl_106921858.seq -o /var/tmp/from_scwrl_106921858.pdb > /var/tmp/scwrl_106921858.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_106921858.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 # WARNING: incomplete conformation T0360 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation 3D-JIGSAW_POPULUS_TS3 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_357465228.pdb -s /var/tmp/to_scwrl_357465228.seq -o /var/tmp/from_scwrl_357465228.pdb > /var/tmp/scwrl_357465228.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_357465228.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 T0360 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation 3D-JIGSAW_POPULUS_TS4 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_1408550749.pdb -s /var/tmp/to_scwrl_1408550749.seq -o /var/tmp/from_scwrl_1408550749.pdb > /var/tmp/scwrl_1408550749.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1408550749.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 # Found a chain break before 138 # copying to AlignedFragments data structure # naming current conformation 3D-JIGSAW_POPULUS_TS5 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_239813246.pdb -s /var/tmp/to_scwrl_239813246.seq -o /var/tmp/from_scwrl_239813246.pdb > /var/tmp/scwrl_239813246.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_239813246.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 T0360 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS1 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_132719291.pdb -s /var/tmp/to_scwrl_132719291.seq -o /var/tmp/from_scwrl_132719291.pdb > /var/tmp/scwrl_132719291.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_132719291.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 T0360 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS2 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_1776902040.pdb -s /var/tmp/to_scwrl_1776902040.seq -o /var/tmp/from_scwrl_1776902040.pdb > /var/tmp/scwrl_1776902040.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1776902040.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 T0360 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS3 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_2003284197.pdb -s /var/tmp/to_scwrl_2003284197.seq -o /var/tmp/from_scwrl_2003284197.pdb > /var/tmp/scwrl_2003284197.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2003284197.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 # WARNING: incomplete conformation T0360 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS4 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_1235435446.pdb -s /var/tmp/to_scwrl_1235435446.seq -o /var/tmp/from_scwrl_1235435446.pdb > /var/tmp/scwrl_1235435446.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1235435446.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 T0360 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS5 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_158664497.pdb -s /var/tmp/to_scwrl_158664497.seq -o /var/tmp/from_scwrl_158664497.pdb > /var/tmp/scwrl_158664497.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_158664497.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 # WARNING: incomplete conformation T0360 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_TS1 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_608335519.pdb -s /var/tmp/to_scwrl_608335519.seq -o /var/tmp/from_scwrl_608335519.pdb > /var/tmp/scwrl_608335519.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_608335519.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 T0360 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_TS2 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_1379133325.pdb -s /var/tmp/to_scwrl_1379133325.seq -o /var/tmp/from_scwrl_1379133325.pdb > /var/tmp/scwrl_1379133325.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1379133325.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 T0360 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_TS3 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_1103908714.pdb -s /var/tmp/to_scwrl_1103908714.seq -o /var/tmp/from_scwrl_1103908714.pdb > /var/tmp/scwrl_1103908714.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1103908714.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 T0360 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_TS4 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_876414677.pdb -s /var/tmp/to_scwrl_876414677.seq -o /var/tmp/from_scwrl_876414677.pdb > /var/tmp/scwrl_876414677.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_876414677.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 T0360 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_TS5 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_1042286324.pdb -s /var/tmp/to_scwrl_1042286324.seq -o /var/tmp/from_scwrl_1042286324.pdb > /var/tmp/scwrl_1042286324.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1042286324.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 129 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS1 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_1709538339.pdb -s /var/tmp/to_scwrl_1709538339.seq -o /var/tmp/from_scwrl_1709538339.pdb > /var/tmp/scwrl_1709538339.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1709538339.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 104 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS2 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_2005626004.pdb -s /var/tmp/to_scwrl_2005626004.seq -o /var/tmp/from_scwrl_2005626004.pdb > /var/tmp/scwrl_2005626004.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2005626004.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 37 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS3 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_1150884358.pdb -s /var/tmp/to_scwrl_1150884358.seq -o /var/tmp/from_scwrl_1150884358.pdb > /var/tmp/scwrl_1150884358.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1150884358.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 48 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS4 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_1504363946.pdb -s /var/tmp/to_scwrl_1504363946.seq -o /var/tmp/from_scwrl_1504363946.pdb > /var/tmp/scwrl_1504363946.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1504363946.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 74 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS5 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_570703324.pdb -s /var/tmp/to_scwrl_570703324.seq -o /var/tmp/from_scwrl_570703324.pdb > /var/tmp/scwrl_570703324.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_570703324.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 74 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS1 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_2040787195.pdb -s /var/tmp/to_scwrl_2040787195.seq -o /var/tmp/from_scwrl_2040787195.pdb > /var/tmp/scwrl_2040787195.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2040787195.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 102 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS2 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_162279831.pdb -s /var/tmp/to_scwrl_162279831.seq -o /var/tmp/from_scwrl_162279831.pdb > /var/tmp/scwrl_162279831.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_162279831.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 127 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS3 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_2084126223.pdb -s /var/tmp/to_scwrl_2084126223.seq -o /var/tmp/from_scwrl_2084126223.pdb > /var/tmp/scwrl_2084126223.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2084126223.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 125 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS4 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_1246411944.pdb -s /var/tmp/to_scwrl_1246411944.seq -o /var/tmp/from_scwrl_1246411944.pdb > /var/tmp/scwrl_1246411944.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1246411944.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 109 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS5 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_410893757.pdb -s /var/tmp/to_scwrl_410893757.seq -o /var/tmp/from_scwrl_410893757.pdb > /var/tmp/scwrl_410893757.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_410893757.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 # naming current conformation BayesHH_TS1 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_623723605.pdb -s /var/tmp/to_scwrl_623723605.seq -o /var/tmp/from_scwrl_623723605.pdb > /var/tmp/scwrl_623723605.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_623723605.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 # naming current conformation Bilab-ENABLE_TS1 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_555696414.pdb -s /var/tmp/to_scwrl_555696414.seq -o /var/tmp/from_scwrl_555696414.pdb > /var/tmp/scwrl_555696414.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_555696414.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 128 # copying to AlignedFragments data structure # naming current conformation CIRCLE_TS1 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_1587439813.pdb -s /var/tmp/to_scwrl_1587439813.seq -o /var/tmp/from_scwrl_1587439813.pdb > /var/tmp/scwrl_1587439813.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1587439813.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 T0360 can't currently be optimized by undertaker # naming current conformation CIRCLE_TS2 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_946752318.pdb -s /var/tmp/to_scwrl_946752318.seq -o /var/tmp/from_scwrl_946752318.pdb > /var/tmp/scwrl_946752318.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_946752318.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 # WARNING: incomplete conformation T0360 can't currently be optimized by undertaker # naming current conformation CIRCLE_TS3 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_1684443223.pdb -s /var/tmp/to_scwrl_1684443223.seq -o /var/tmp/from_scwrl_1684443223.pdb > /var/tmp/scwrl_1684443223.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1684443223.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 # WARNING: incomplete conformation T0360 can't currently be optimized by undertaker # naming current conformation CIRCLE_TS4 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_1981745291.pdb -s /var/tmp/to_scwrl_1981745291.seq -o /var/tmp/from_scwrl_1981745291.pdb > /var/tmp/scwrl_1981745291.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1981745291.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 # WARNING: incomplete conformation T0360 can't currently be optimized by undertaker # naming current conformation CIRCLE_TS5 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_2000430386.pdb -s /var/tmp/to_scwrl_2000430386.seq -o /var/tmp/from_scwrl_2000430386.pdb > /var/tmp/scwrl_2000430386.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2000430386.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 T0360 can't currently be optimized by undertaker # naming current conformation CaspIta-FOX_TS1 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_1791365081.pdb -s /var/tmp/to_scwrl_1791365081.seq -o /var/tmp/from_scwrl_1791365081.pdb > /var/tmp/scwrl_1791365081.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1791365081.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: atoms too close: (T0360)Q50.C and (T0360)D51.N only 0 apart, marking (T0360)D51.N as missing WARNING: atoms too close: (T0360)D51.N and (T0360)D51.CA only 0 apart, marking (T0360)D51.CA as missing WARNING: atoms too close: (T0360)Q50.C and (T0360)D51.CA only 0 apart, marking (T0360)D51.CA as missing WARNING: atoms too close: (T0360)D51.CA and (T0360)D51.CB only 0 apart, marking (T0360)D51.CB as missing WARNING: atoms too close: (T0360)D51.N and (T0360)D51.CB only 0 apart, marking (T0360)D51.CB as missing WARNING: atoms too close: (T0360)Q50.C and (T0360)D51.CB only 0 apart, marking (T0360)D51.CB as missing WARNING: atoms too close: (T0360)D51.CB and (T0360)D51.CG only 0 apart, marking (T0360)D51.CG as missing WARNING: atoms too close: (T0360)D51.CA and (T0360)D51.CG only 0 apart, marking (T0360)D51.CG as missing WARNING: atoms too close: (T0360)D51.N and (T0360)D51.CG only 0 apart, marking (T0360)D51.CG as missing WARNING: atoms too close: (T0360)Q50.C and (T0360)D51.CG only 0 apart, marking (T0360)D51.CG as missing WARNING: atoms too close: (T0360)D51.CG and (T0360)D51.OD1 only 0 apart, marking (T0360)D51.OD1 as missing WARNING: atoms too close: (T0360)D51.CB and (T0360)D51.OD1 only 0 apart, marking (T0360)D51.OD1 as missing WARNING: atoms too close: (T0360)D51.CA and (T0360)D51.OD1 only 0 apart, marking (T0360)D51.OD1 as missing WARNING: atoms too close: (T0360)D51.N and (T0360)D51.OD1 only 0 apart, marking (T0360)D51.OD1 as missing WARNING: atoms too close: (T0360)Q50.C and (T0360)D51.OD1 only 0 apart, marking (T0360)D51.OD1 as missing WARNING: atoms too close: (T0360)D51.OD1 and (T0360)D51.OD2 only 0 apart, marking (T0360)D51.OD2 as missing WARNING: atoms too close: (T0360)D51.CG and (T0360)D51.OD2 only 0 apart, marking (T0360)D51.OD2 as missing WARNING: atoms too close: (T0360)D51.CB and (T0360)D51.OD2 only 0 apart, marking (T0360)D51.OD2 as missing WARNING: atoms too close: (T0360)D51.CA and (T0360)D51.OD2 only 0 apart, marking (T0360)D51.OD2 as missing WARNING: atoms too close: (T0360)D51.N and (T0360)D51.OD2 only 0 apart, marking (T0360)D51.OD2 as missing WARNING: atoms too close: (T0360)Q50.C and (T0360)D51.OD2 only 0 apart, marking (T0360)D51.OD2 as missing WARNING: atoms too close: (T0360)D51.OD2 and (T0360)D51.O only 0 apart, marking (T0360)D51.O as missing WARNING: atoms too close: (T0360)D51.OD1 and (T0360)D51.O only 0 apart, marking (T0360)D51.O as missing WARNING: atoms too close: (T0360)D51.CG and (T0360)D51.O only 0 apart, marking (T0360)D51.O as missing WARNING: atoms too close: (T0360)D51.CB and (T0360)D51.O only 0 apart, marking (T0360)D51.O as missing WARNING: atoms too close: (T0360)D51.CA and (T0360)D51.O only 0 apart, marking (T0360)D51.O as missing WARNING: atoms too close: (T0360)D51.N and (T0360)D51.O only 0 apart, marking (T0360)D51.O as missing WARNING: atoms too close: (T0360)Q50.C and (T0360)D51.O only 0 apart, marking (T0360)D51.O as missing WARNING: atoms too close: (T0360)D51.O and (T0360)D51.C only 0 apart, marking (T0360)D51.C as missing WARNING: atoms too close: (T0360)D51.OD2 and (T0360)D51.C only 0 apart, marking (T0360)D51.C as missing WARNING: atoms too close: (T0360)D51.OD1 and (T0360)D51.C only 0 apart, marking (T0360)D51.C as missing WARNING: atoms too close: (T0360)D51.CG and (T0360)D51.C only 0 apart, marking (T0360)D51.C as missing WARNING: atoms too close: (T0360)D51.CB and (T0360)D51.C only 0 apart, marking (T0360)D51.C as missing WARNING: atoms too close: (T0360)D51.CA and (T0360)D51.C only 0 apart, marking (T0360)D51.C as missing WARNING: atoms too close: (T0360)D51.N and (T0360)D51.C only 0 apart, marking (T0360)D51.C as missing WARNING: atoms too close: (T0360)Q50.C and (T0360)D51.C only 0 apart, marking (T0360)D51.C as missing # WARNING: incomplete conformation T0360 can't currently be optimized by undertaker # naming current conformation CaspIta-FOX_TS2 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_191726872.pdb -s /var/tmp/to_scwrl_191726872.seq -o /var/tmp/from_scwrl_191726872.pdb > /var/tmp/scwrl_191726872.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_191726872.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 T0360 can't currently be optimized by undertaker # naming current conformation CaspIta-FOX_TS3 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_1261497488.pdb -s /var/tmp/to_scwrl_1261497488.seq -o /var/tmp/from_scwrl_1261497488.pdb > /var/tmp/scwrl_1261497488.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1261497488.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 T0360 can't currently be optimized by undertaker # naming current conformation CaspIta-FOX_TS4 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_2031178327.pdb -s /var/tmp/to_scwrl_2031178327.seq -o /var/tmp/from_scwrl_2031178327.pdb > /var/tmp/scwrl_2031178327.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2031178327.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 T0360 can't currently be optimized by undertaker # naming current conformation CaspIta-FOX_TS5 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_324446163.pdb -s /var/tmp/to_scwrl_324446163.seq -o /var/tmp/from_scwrl_324446163.pdb > /var/tmp/scwrl_324446163.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_324446163.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 T0360 can't currently be optimized by undertaker # naming current conformation Distill_TS1 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_890915882.pdb -s /var/tmp/to_scwrl_890915882.seq -o /var/tmp/from_scwrl_890915882.pdb > /var/tmp/scwrl_890915882.log Error: Couldn't open file /var/tmp/from_scwrl_890915882.pdb or /var/tmp/from_scwrl_890915882.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_890915882_b.pdb or decoys//var/tmp/from_scwrl_890915882_b.pdb.gz for input Trying /var/tmp/from_scwrl_890915882_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_890915882_b.pdb or /var/tmp/from_scwrl_890915882_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_890915882_a.pdb or decoys//var/tmp/from_scwrl_890915882_a.pdb.gz for input Trying /var/tmp/from_scwrl_890915882_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_890915882_a.pdb or /var/tmp/from_scwrl_890915882_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_890915882.pdb or /var/tmp/from_scwrl_890915882_b.pdb or /var/tmp/from_scwrl_890915882_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 T0360 can't currently be optimized by undertaker # naming current conformation Distill_TS2 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_1886978877.pdb -s /var/tmp/to_scwrl_1886978877.seq -o /var/tmp/from_scwrl_1886978877.pdb > /var/tmp/scwrl_1886978877.log Error: Couldn't open file /var/tmp/from_scwrl_1886978877.pdb or /var/tmp/from_scwrl_1886978877.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1886978877_b.pdb or decoys//var/tmp/from_scwrl_1886978877_b.pdb.gz for input Trying /var/tmp/from_scwrl_1886978877_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1886978877_b.pdb or /var/tmp/from_scwrl_1886978877_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1886978877_a.pdb or decoys//var/tmp/from_scwrl_1886978877_a.pdb.gz for input Trying /var/tmp/from_scwrl_1886978877_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1886978877_a.pdb or /var/tmp/from_scwrl_1886978877_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1886978877.pdb or /var/tmp/from_scwrl_1886978877_b.pdb or /var/tmp/from_scwrl_1886978877_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 T0360 can't currently be optimized by undertaker # naming current conformation Distill_TS3 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_1559881609.pdb -s /var/tmp/to_scwrl_1559881609.seq -o /var/tmp/from_scwrl_1559881609.pdb > /var/tmp/scwrl_1559881609.log Error: Couldn't open file /var/tmp/from_scwrl_1559881609.pdb or /var/tmp/from_scwrl_1559881609.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1559881609_b.pdb or decoys//var/tmp/from_scwrl_1559881609_b.pdb.gz for input Trying /var/tmp/from_scwrl_1559881609_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1559881609_b.pdb or /var/tmp/from_scwrl_1559881609_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1559881609_a.pdb or decoys//var/tmp/from_scwrl_1559881609_a.pdb.gz for input Trying /var/tmp/from_scwrl_1559881609_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1559881609_a.pdb or /var/tmp/from_scwrl_1559881609_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1559881609.pdb or /var/tmp/from_scwrl_1559881609_b.pdb or /var/tmp/from_scwrl_1559881609_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 T0360 can't currently be optimized by undertaker # naming current conformation Distill_TS4 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_1049580379.pdb -s /var/tmp/to_scwrl_1049580379.seq -o /var/tmp/from_scwrl_1049580379.pdb > /var/tmp/scwrl_1049580379.log Error: Couldn't open file /var/tmp/from_scwrl_1049580379.pdb or /var/tmp/from_scwrl_1049580379.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1049580379_b.pdb or decoys//var/tmp/from_scwrl_1049580379_b.pdb.gz for input Trying /var/tmp/from_scwrl_1049580379_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1049580379_b.pdb or /var/tmp/from_scwrl_1049580379_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1049580379_a.pdb or decoys//var/tmp/from_scwrl_1049580379_a.pdb.gz for input Trying /var/tmp/from_scwrl_1049580379_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1049580379_a.pdb or /var/tmp/from_scwrl_1049580379_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1049580379.pdb or /var/tmp/from_scwrl_1049580379_b.pdb or /var/tmp/from_scwrl_1049580379_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 T0360 can't currently be optimized by undertaker # naming current conformation Distill_TS5 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_347830749.pdb -s /var/tmp/to_scwrl_347830749.seq -o /var/tmp/from_scwrl_347830749.pdb > /var/tmp/scwrl_347830749.log Error: Couldn't open file /var/tmp/from_scwrl_347830749.pdb or /var/tmp/from_scwrl_347830749.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_347830749_b.pdb or decoys//var/tmp/from_scwrl_347830749_b.pdb.gz for input Trying /var/tmp/from_scwrl_347830749_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_347830749_b.pdb or /var/tmp/from_scwrl_347830749_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_347830749_a.pdb or decoys//var/tmp/from_scwrl_347830749_a.pdb.gz for input Trying /var/tmp/from_scwrl_347830749_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_347830749_a.pdb or /var/tmp/from_scwrl_347830749_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_347830749.pdb or /var/tmp/from_scwrl_347830749_b.pdb or /var/tmp/from_scwrl_347830749_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 132 # copying to AlignedFragments data structure # naming current conformation FAMSD_TS1 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_791531288.pdb -s /var/tmp/to_scwrl_791531288.seq -o /var/tmp/from_scwrl_791531288.pdb > /var/tmp/scwrl_791531288.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_791531288.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 T0360 can't currently be optimized by undertaker # naming current conformation FAMSD_TS2 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_6005447.pdb -s /var/tmp/to_scwrl_6005447.seq -o /var/tmp/from_scwrl_6005447.pdb > /var/tmp/scwrl_6005447.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_6005447.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 T0360 can't currently be optimized by undertaker # naming current conformation FAMSD_TS3 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_1224245425.pdb -s /var/tmp/to_scwrl_1224245425.seq -o /var/tmp/from_scwrl_1224245425.pdb > /var/tmp/scwrl_1224245425.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1224245425.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 T0360 can't currently be optimized by undertaker # naming current conformation FAMSD_TS4 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_1833817612.pdb -s /var/tmp/to_scwrl_1833817612.seq -o /var/tmp/from_scwrl_1833817612.pdb > /var/tmp/scwrl_1833817612.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1833817612.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 T0360 can't currently be optimized by undertaker # naming current conformation FAMSD_TS5 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_1715543786.pdb -s /var/tmp/to_scwrl_1715543786.seq -o /var/tmp/from_scwrl_1715543786.pdb > /var/tmp/scwrl_1715543786.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1715543786.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 129 # copying to AlignedFragments data structure # naming current conformation FAMS_TS1 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_1082387783.pdb -s /var/tmp/to_scwrl_1082387783.seq -o /var/tmp/from_scwrl_1082387783.pdb > /var/tmp/scwrl_1082387783.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1082387783.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 # WARNING: incomplete conformation T0360 can't currently be optimized by undertaker # naming current conformation FAMS_TS2 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_837218324.pdb -s /var/tmp/to_scwrl_837218324.seq -o /var/tmp/from_scwrl_837218324.pdb > /var/tmp/scwrl_837218324.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_837218324.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 T0360 can't currently be optimized by undertaker # naming current conformation FAMS_TS3 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_1072424087.pdb -s /var/tmp/to_scwrl_1072424087.seq -o /var/tmp/from_scwrl_1072424087.pdb > /var/tmp/scwrl_1072424087.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1072424087.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 # WARNING: incomplete conformation T0360 can't currently be optimized by undertaker # naming current conformation FAMS_TS4 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_1653091107.pdb -s /var/tmp/to_scwrl_1653091107.seq -o /var/tmp/from_scwrl_1653091107.pdb > /var/tmp/scwrl_1653091107.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1653091107.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 # Found a chain break before 128 # copying to AlignedFragments data structure # naming current conformation FAMS_TS5 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_730521873.pdb -s /var/tmp/to_scwrl_730521873.seq -o /var/tmp/from_scwrl_730521873.pdb > /var/tmp/scwrl_730521873.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_730521873.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 34 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS1 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_1234703917.pdb -s /var/tmp/to_scwrl_1234703917.seq -o /var/tmp/from_scwrl_1234703917.pdb > /var/tmp/scwrl_1234703917.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1234703917.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 98 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS2 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_1589733684.pdb -s /var/tmp/to_scwrl_1589733684.seq -o /var/tmp/from_scwrl_1589733684.pdb > /var/tmp/scwrl_1589733684.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1589733684.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 128 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS3 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_1976933817.pdb -s /var/tmp/to_scwrl_1976933817.seq -o /var/tmp/from_scwrl_1976933817.pdb > /var/tmp/scwrl_1976933817.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1976933817.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 129 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS4 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_1645597674.pdb -s /var/tmp/to_scwrl_1645597674.seq -o /var/tmp/from_scwrl_1645597674.pdb > /var/tmp/scwrl_1645597674.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1645597674.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 109 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS5 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_65973642.pdb -s /var/tmp/to_scwrl_65973642.seq -o /var/tmp/from_scwrl_65973642.pdb > /var/tmp/scwrl_65973642.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_65973642.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 T0360 can't currently be optimized by undertaker # naming current conformation FORTE1_AL1 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_385146584.pdb -s /var/tmp/to_scwrl_385146584.seq -o /var/tmp/from_scwrl_385146584.pdb > /var/tmp/scwrl_385146584.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_385146584.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 T0360 can't currently be optimized by undertaker # naming current conformation FORTE1_AL2 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_1085553840.pdb -s /var/tmp/to_scwrl_1085553840.seq -o /var/tmp/from_scwrl_1085553840.pdb > /var/tmp/scwrl_1085553840.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1085553840.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 Skipped atom 266, because occupancy 1 <= existing 1.000 in servers/FORTE1_AL3.pdb.gz Skipped atom 268, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL3.pdb.gz Skipped atom 270, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL3.pdb.gz Skipped atom 272, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL3.pdb.gz Skipped atom 274, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL3.pdb.gz Skipped atom 276, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL3.pdb.gz Skipped atom 278, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL3.pdb.gz Skipped atom 280, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL3.pdb.gz # WARNING: incomplete conformation T0360 can't currently be optimized by undertaker # naming current conformation FORTE1_AL3 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_1012725961.pdb -s /var/tmp/to_scwrl_1012725961.seq -o /var/tmp/from_scwrl_1012725961.pdb > /var/tmp/scwrl_1012725961.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1012725961.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 T0360 can't currently be optimized by undertaker # naming current conformation FORTE1_AL4 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_2069589807.pdb -s /var/tmp/to_scwrl_2069589807.seq -o /var/tmp/from_scwrl_2069589807.pdb > /var/tmp/scwrl_2069589807.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2069589807.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 Skipped atom 55, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL5.pdb.gz Skipped atom 68, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL5.pdb.gz # WARNING: incomplete conformation T0360 can't currently be optimized by undertaker # naming current conformation FORTE1_AL5 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_919815485.pdb -s /var/tmp/to_scwrl_919815485.seq -o /var/tmp/from_scwrl_919815485.pdb > /var/tmp/scwrl_919815485.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_919815485.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 T0360 can't currently be optimized by undertaker # naming current conformation FORTE2_AL1 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_865672700.pdb -s /var/tmp/to_scwrl_865672700.seq -o /var/tmp/from_scwrl_865672700.pdb > /var/tmp/scwrl_865672700.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_865672700.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 T0360 can't currently be optimized by undertaker # naming current conformation FORTE2_AL2 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_1713471241.pdb -s /var/tmp/to_scwrl_1713471241.seq -o /var/tmp/from_scwrl_1713471241.pdb > /var/tmp/scwrl_1713471241.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1713471241.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 Skipped atom 266, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL3.pdb.gz Skipped atom 268, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL3.pdb.gz Skipped atom 270, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL3.pdb.gz Skipped atom 272, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL3.pdb.gz Skipped atom 274, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL3.pdb.gz Skipped atom 276, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL3.pdb.gz Skipped atom 278, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL3.pdb.gz Skipped atom 280, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL3.pdb.gz # WARNING: incomplete conformation T0360 can't currently be optimized by undertaker # naming current conformation FORTE2_AL3 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_1111542356.pdb -s /var/tmp/to_scwrl_1111542356.seq -o /var/tmp/from_scwrl_1111542356.pdb > /var/tmp/scwrl_1111542356.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1111542356.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 T0360 can't currently be optimized by undertaker # naming current conformation FORTE2_AL4 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_2127170188.pdb -s /var/tmp/to_scwrl_2127170188.seq -o /var/tmp/from_scwrl_2127170188.pdb > /var/tmp/scwrl_2127170188.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2127170188.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 Skipped atom 55, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL5.pdb.gz Skipped atom 68, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL5.pdb.gz # WARNING: incomplete conformation T0360 can't currently be optimized by undertaker # naming current conformation FORTE2_AL5 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_1597165921.pdb -s /var/tmp/to_scwrl_1597165921.seq -o /var/tmp/from_scwrl_1597165921.pdb > /var/tmp/scwrl_1597165921.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1597165921.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 80 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS1 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_1435988519.pdb -s /var/tmp/to_scwrl_1435988519.seq -o /var/tmp/from_scwrl_1435988519.pdb > /var/tmp/scwrl_1435988519.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1435988519.pdb # conformation set from SCWRL output # naming current conformation FPSOLVER-SERVER_TS1-scwrl # ReadConformPDB reading from PDB file servers/FPSOLVER-SERVER_TS2.pdb.gz looking for model 1 # naming current conformation FPSOLVER-SERVER_TS2 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_870602423.pdb -s /var/tmp/to_scwrl_870602423.seq -o /var/tmp/from_scwrl_870602423.pdb > /var/tmp/scwrl_870602423.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_870602423.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 125 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS3 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_1336661151.pdb -s /var/tmp/to_scwrl_1336661151.seq -o /var/tmp/from_scwrl_1336661151.pdb > /var/tmp/scwrl_1336661151.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1336661151.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 24 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS4 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_848386482.pdb -s /var/tmp/to_scwrl_848386482.seq -o /var/tmp/from_scwrl_848386482.pdb > /var/tmp/scwrl_848386482.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_848386482.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 84 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS5 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_1920182801.pdb -s /var/tmp/to_scwrl_1920182801.seq -o /var/tmp/from_scwrl_1920182801.pdb > /var/tmp/scwrl_1920182801.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1920182801.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 # WARNING: incomplete conformation T0360 can't currently be optimized by undertaker # naming current conformation FUGMOD_TS1 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_1684491900.pdb -s /var/tmp/to_scwrl_1684491900.seq -o /var/tmp/from_scwrl_1684491900.pdb > /var/tmp/scwrl_1684491900.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1684491900.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 75 # copying to AlignedFragments data structure # naming current conformation FUGMOD_TS2 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_1639917770.pdb -s /var/tmp/to_scwrl_1639917770.seq -o /var/tmp/from_scwrl_1639917770.pdb > /var/tmp/scwrl_1639917770.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1639917770.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 122 # copying to AlignedFragments data structure # naming current conformation FUGMOD_TS3 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_1926188248.pdb -s /var/tmp/to_scwrl_1926188248.seq -o /var/tmp/from_scwrl_1926188248.pdb > /var/tmp/scwrl_1926188248.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1926188248.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 # WARNING: incomplete conformation T0360 can't currently be optimized by undertaker # naming current conformation FUGMOD_TS4 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_761253680.pdb -s /var/tmp/to_scwrl_761253680.seq -o /var/tmp/from_scwrl_761253680.pdb > /var/tmp/scwrl_761253680.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_761253680.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 # WARNING: incomplete conformation T0360 can't currently be optimized by undertaker # naming current conformation FUGMOD_TS5 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_1326251735.pdb -s /var/tmp/to_scwrl_1326251735.seq -o /var/tmp/from_scwrl_1326251735.pdb > /var/tmp/scwrl_1326251735.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1326251735.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 T0360 can't currently be optimized by undertaker # naming current conformation FUGUE_AL1 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_1494248388.pdb -s /var/tmp/to_scwrl_1494248388.seq -o /var/tmp/from_scwrl_1494248388.pdb > /var/tmp/scwrl_1494248388.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1494248388.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 T0360 can't currently be optimized by undertaker # naming current conformation FUGUE_AL2 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_1843641463.pdb -s /var/tmp/to_scwrl_1843641463.seq -o /var/tmp/from_scwrl_1843641463.pdb > /var/tmp/scwrl_1843641463.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1843641463.pdb # conformation set from SCWRL output # naming current conformation FUGUE_AL2-scwrl # ReadConformPDB reading from PDB file servers/FUGUE_AL4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0360 can't currently be optimized by undertaker # naming current conformation FUGUE_AL4 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_15986412.pdb -s /var/tmp/to_scwrl_15986412.seq -o /var/tmp/from_scwrl_15986412.pdb > /var/tmp/scwrl_15986412.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_15986412.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 T0360 can't currently be optimized by undertaker # naming current conformation FUGUE_AL5 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_419188828.pdb -s /var/tmp/to_scwrl_419188828.seq -o /var/tmp/from_scwrl_419188828.pdb > /var/tmp/scwrl_419188828.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_419188828.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 T0360 can't currently be optimized by undertaker # naming current conformation FUNCTION_TS1 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_1349248923.pdb -s /var/tmp/to_scwrl_1349248923.seq -o /var/tmp/from_scwrl_1349248923.pdb > /var/tmp/scwrl_1349248923.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1349248923.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 # Found a chain break before 114 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS2 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_746508285.pdb -s /var/tmp/to_scwrl_746508285.seq -o /var/tmp/from_scwrl_746508285.pdb > /var/tmp/scwrl_746508285.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_746508285.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 # WARNING: incomplete conformation T0360 can't currently be optimized by undertaker # naming current conformation FUNCTION_TS3 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_1653892745.pdb -s /var/tmp/to_scwrl_1653892745.seq -o /var/tmp/from_scwrl_1653892745.pdb > /var/tmp/scwrl_1653892745.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1653892745.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 139 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS4 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_791498961.pdb -s /var/tmp/to_scwrl_791498961.seq -o /var/tmp/from_scwrl_791498961.pdb > /var/tmp/scwrl_791498961.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_791498961.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 125 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS5 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_575958456.pdb -s /var/tmp/to_scwrl_575958456.seq -o /var/tmp/from_scwrl_575958456.pdb > /var/tmp/scwrl_575958456.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_575958456.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 # WARNING: incomplete conformation T0360 can't currently be optimized by undertaker # naming current conformation GeneSilicoMetaServer_TS1 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_1152006772.pdb -s /var/tmp/to_scwrl_1152006772.seq -o /var/tmp/from_scwrl_1152006772.pdb > /var/tmp/scwrl_1152006772.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1152006772.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 # WARNING: incomplete conformation T0360 can't currently be optimized by undertaker # naming current conformation GeneSilicoMetaServer_TS2 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_857472604.pdb -s /var/tmp/to_scwrl_857472604.seq -o /var/tmp/from_scwrl_857472604.pdb > /var/tmp/scwrl_857472604.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_857472604.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 T0360 can't currently be optimized by undertaker # naming current conformation GeneSilicoMetaServer_TS3 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_961105040.pdb -s /var/tmp/to_scwrl_961105040.seq -o /var/tmp/from_scwrl_961105040.pdb > /var/tmp/scwrl_961105040.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_961105040.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 55 # copying to AlignedFragments data structure # naming current conformation GeneSilicoMetaServer_TS4 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_90076966.pdb -s /var/tmp/to_scwrl_90076966.seq -o /var/tmp/from_scwrl_90076966.pdb > /var/tmp/scwrl_90076966.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_90076966.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 T0360 can't currently be optimized by undertaker # naming current conformation GeneSilicoMetaServer_TS5 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_1870198564.pdb -s /var/tmp/to_scwrl_1870198564.seq -o /var/tmp/from_scwrl_1870198564.pdb > /var/tmp/scwrl_1870198564.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1870198564.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 # naming current conformation HHpred1_TS1 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_883211201.pdb -s /var/tmp/to_scwrl_883211201.seq -o /var/tmp/from_scwrl_883211201.pdb > /var/tmp/scwrl_883211201.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_883211201.pdb # conformation set from SCWRL output # naming current conformation HHpred1_TS1-scwrl # ReadConformPDB reading from PDB file servers/HHpred2_TS1.pdb.gz looking for model 1 # naming current conformation HHpred2_TS1 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_1009892451.pdb -s /var/tmp/to_scwrl_1009892451.seq -o /var/tmp/from_scwrl_1009892451.pdb > /var/tmp/scwrl_1009892451.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1009892451.pdb # conformation set from SCWRL output # naming current conformation HHpred2_TS1-scwrl # ReadConformPDB reading from PDB file servers/HHpred3_TS1.pdb.gz looking for model 1 # naming current conformation HHpred3_TS1 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_588387617.pdb -s /var/tmp/to_scwrl_588387617.seq -o /var/tmp/from_scwrl_588387617.pdb > /var/tmp/scwrl_588387617.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_588387617.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 T0360 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS1 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_449198795.pdb -s /var/tmp/to_scwrl_449198795.seq -o /var/tmp/from_scwrl_449198795.pdb > /var/tmp/scwrl_449198795.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_449198795.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 T0360 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS2 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_2121434807.pdb -s /var/tmp/to_scwrl_2121434807.seq -o /var/tmp/from_scwrl_2121434807.pdb > /var/tmp/scwrl_2121434807.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2121434807.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 T0360 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS3 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_568074158.pdb -s /var/tmp/to_scwrl_568074158.seq -o /var/tmp/from_scwrl_568074158.pdb > /var/tmp/scwrl_568074158.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_568074158.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 T0360 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS4 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_2046364717.pdb -s /var/tmp/to_scwrl_2046364717.seq -o /var/tmp/from_scwrl_2046364717.pdb > /var/tmp/scwrl_2046364717.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2046364717.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 T0360 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS5 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_1409939679.pdb -s /var/tmp/to_scwrl_1409939679.seq -o /var/tmp/from_scwrl_1409939679.pdb > /var/tmp/scwrl_1409939679.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1409939679.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 # WARNING: incomplete conformation T0360 can't currently be optimized by undertaker # naming current conformation LOOPP_TS1 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_1438676580.pdb -s /var/tmp/to_scwrl_1438676580.seq -o /var/tmp/from_scwrl_1438676580.pdb > /var/tmp/scwrl_1438676580.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1438676580.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 T0360 can't currently be optimized by undertaker # naming current conformation LOOPP_TS2 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_1235542221.pdb -s /var/tmp/to_scwrl_1235542221.seq -o /var/tmp/from_scwrl_1235542221.pdb > /var/tmp/scwrl_1235542221.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1235542221.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 T0360 can't currently be optimized by undertaker # naming current conformation LOOPP_TS3 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_110842514.pdb -s /var/tmp/to_scwrl_110842514.seq -o /var/tmp/from_scwrl_110842514.pdb > /var/tmp/scwrl_110842514.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_110842514.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 T0360 can't currently be optimized by undertaker # naming current conformation LOOPP_TS4 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_1211375734.pdb -s /var/tmp/to_scwrl_1211375734.seq -o /var/tmp/from_scwrl_1211375734.pdb > /var/tmp/scwrl_1211375734.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1211375734.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 T0360 can't currently be optimized by undertaker # naming current conformation LOOPP_TS5 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_772550476.pdb -s /var/tmp/to_scwrl_772550476.seq -o /var/tmp/from_scwrl_772550476.pdb > /var/tmp/scwrl_772550476.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_772550476.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 Skipped atom 75, because occupancy 1.000 <= existing 1.000 in servers/MIG_FROST_AL1.pdb.gz Skipped atom 88, because occupancy 1.000 <= existing 1.000 in servers/MIG_FROST_AL1.pdb.gz Skipped atom 137, because occupancy 1.000 <= existing 1.000 in servers/MIG_FROST_AL1.pdb.gz Skipped atom 178, because occupancy 1.000 <= existing 1.000 in servers/MIG_FROST_AL1.pdb.gz Skipped atom 255, because occupancy 1.000 <= existing 1.000 in servers/MIG_FROST_AL1.pdb.gz Skipped atom 288, because occupancy 1.000 <= existing 1.000 in servers/MIG_FROST_AL1.pdb.gz Skipped atom 317, because occupancy 1.000 <= existing 1.000 in servers/MIG_FROST_AL1.pdb.gz # WARNING: incomplete conformation T0360 can't currently be optimized by undertaker # naming current conformation MIG_FROST_AL1 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_1750760284.pdb -s /var/tmp/to_scwrl_1750760284.seq -o /var/tmp/from_scwrl_1750760284.pdb > /var/tmp/scwrl_1750760284.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1750760284.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 130 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server2_TS1 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_990080337.pdb -s /var/tmp/to_scwrl_990080337.seq -o /var/tmp/from_scwrl_990080337.pdb > /var/tmp/scwrl_990080337.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_990080337.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 136 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server2_TS2 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_1533804155.pdb -s /var/tmp/to_scwrl_1533804155.seq -o /var/tmp/from_scwrl_1533804155.pdb > /var/tmp/scwrl_1533804155.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1533804155.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 # naming current conformation Ma-OPUS-server2_TS3 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_929528373.pdb -s /var/tmp/to_scwrl_929528373.seq -o /var/tmp/from_scwrl_929528373.pdb > /var/tmp/scwrl_929528373.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_929528373.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 # naming current conformation Ma-OPUS-server2_TS4 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_336845078.pdb -s /var/tmp/to_scwrl_336845078.seq -o /var/tmp/from_scwrl_336845078.pdb > /var/tmp/scwrl_336845078.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_336845078.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 # naming current conformation Ma-OPUS-server2_TS5 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_1229961971.pdb -s /var/tmp/to_scwrl_1229961971.seq -o /var/tmp/from_scwrl_1229961971.pdb > /var/tmp/scwrl_1229961971.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1229961971.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 136 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS1 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_945514786.pdb -s /var/tmp/to_scwrl_945514786.seq -o /var/tmp/from_scwrl_945514786.pdb > /var/tmp/scwrl_945514786.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_945514786.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 46 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS2 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_756033906.pdb -s /var/tmp/to_scwrl_756033906.seq -o /var/tmp/from_scwrl_756033906.pdb > /var/tmp/scwrl_756033906.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_756033906.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 # naming current conformation Ma-OPUS-server_TS3 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_431727248.pdb -s /var/tmp/to_scwrl_431727248.seq -o /var/tmp/from_scwrl_431727248.pdb > /var/tmp/scwrl_431727248.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_431727248.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 # naming current conformation Ma-OPUS-server_TS4 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_1692023070.pdb -s /var/tmp/to_scwrl_1692023070.seq -o /var/tmp/from_scwrl_1692023070.pdb > /var/tmp/scwrl_1692023070.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1692023070.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 # naming current conformation Ma-OPUS-server_TS5 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_262443004.pdb -s /var/tmp/to_scwrl_262443004.seq -o /var/tmp/from_scwrl_262443004.pdb > /var/tmp/scwrl_262443004.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_262443004.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 136 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS1 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_1223226209.pdb -s /var/tmp/to_scwrl_1223226209.seq -o /var/tmp/from_scwrl_1223226209.pdb > /var/tmp/scwrl_1223226209.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1223226209.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 137 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS2 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_120497879.pdb -s /var/tmp/to_scwrl_120497879.seq -o /var/tmp/from_scwrl_120497879.pdb > /var/tmp/scwrl_120497879.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_120497879.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 138 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS3 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_1414449776.pdb -s /var/tmp/to_scwrl_1414449776.seq -o /var/tmp/from_scwrl_1414449776.pdb > /var/tmp/scwrl_1414449776.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1414449776.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 136 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS4 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_2080698813.pdb -s /var/tmp/to_scwrl_2080698813.seq -o /var/tmp/from_scwrl_2080698813.pdb > /var/tmp/scwrl_2080698813.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2080698813.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 98 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS5 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_1081602919.pdb -s /var/tmp/to_scwrl_1081602919.seq -o /var/tmp/from_scwrl_1081602919.pdb > /var/tmp/scwrl_1081602919.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1081602919.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 # naming current conformation NN_PUT_lab_TS1 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_1504526742.pdb -s /var/tmp/to_scwrl_1504526742.seq -o /var/tmp/from_scwrl_1504526742.pdb > /var/tmp/scwrl_1504526742.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1504526742.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 100 # copying to AlignedFragments data structure # naming current conformation POMYSL_TS1 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_1803413730.pdb -s /var/tmp/to_scwrl_1803413730.seq -o /var/tmp/from_scwrl_1803413730.pdb > /var/tmp/scwrl_1803413730.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1803413730.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 135 # copying to AlignedFragments data structure # naming current conformation POMYSL_TS2 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_1964814120.pdb -s /var/tmp/to_scwrl_1964814120.seq -o /var/tmp/from_scwrl_1964814120.pdb > /var/tmp/scwrl_1964814120.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1964814120.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 111 # copying to AlignedFragments data structure # naming current conformation POMYSL_TS3 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_366935546.pdb -s /var/tmp/to_scwrl_366935546.seq -o /var/tmp/from_scwrl_366935546.pdb > /var/tmp/scwrl_366935546.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_366935546.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 136 # copying to AlignedFragments data structure # naming current conformation POMYSL_TS4 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_244317700.pdb -s /var/tmp/to_scwrl_244317700.seq -o /var/tmp/from_scwrl_244317700.pdb > /var/tmp/scwrl_244317700.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_244317700.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 121 # copying to AlignedFragments data structure # naming current conformation POMYSL_TS5 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_266529268.pdb -s /var/tmp/to_scwrl_266529268.seq -o /var/tmp/from_scwrl_266529268.pdb > /var/tmp/scwrl_266529268.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_266529268.pdb # conformation set from SCWRL output # naming current conformation POMYSL_TS5-scwrl # ReadConformPDB reading from PDB file servers/PROTINFO-AB_TS1.pdb.gz looking for model 1 # naming current conformation PROTINFO-AB_TS1 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_340886706.pdb -s /var/tmp/to_scwrl_340886706.seq -o /var/tmp/from_scwrl_340886706.pdb > /var/tmp/scwrl_340886706.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_340886706.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 # naming current conformation PROTINFO-AB_TS2 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_812391858.pdb -s /var/tmp/to_scwrl_812391858.seq -o /var/tmp/from_scwrl_812391858.pdb > /var/tmp/scwrl_812391858.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_812391858.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 # naming current conformation PROTINFO-AB_TS3 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_165410338.pdb -s /var/tmp/to_scwrl_165410338.seq -o /var/tmp/from_scwrl_165410338.pdb > /var/tmp/scwrl_165410338.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_165410338.pdb # conformation set from SCWRL output # naming current conformation PROTINFO-AB_TS3-scwrl # ReadConformPDB reading from PDB file servers/PROTINFO-AB_TS4.pdb.gz looking for model 1 # naming current conformation PROTINFO-AB_TS4 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_1750826385.pdb -s /var/tmp/to_scwrl_1750826385.seq -o /var/tmp/from_scwrl_1750826385.pdb > /var/tmp/scwrl_1750826385.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1750826385.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 # naming current conformation PROTINFO-AB_TS5 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_103584791.pdb -s /var/tmp/to_scwrl_103584791.seq -o /var/tmp/from_scwrl_103584791.pdb > /var/tmp/scwrl_103584791.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_103584791.pdb # conformation set from SCWRL output # naming current conformation PROTINFO-AB_TS5-scwrl # ReadConformPDB reading from PDB file servers/PROTINFO_TS1.pdb.gz looking for model 1 # naming current conformation PROTINFO_TS1 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_1400952560.pdb -s /var/tmp/to_scwrl_1400952560.seq -o /var/tmp/from_scwrl_1400952560.pdb > /var/tmp/scwrl_1400952560.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1400952560.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 # naming current conformation PROTINFO_TS2 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_1861668899.pdb -s /var/tmp/to_scwrl_1861668899.seq -o /var/tmp/from_scwrl_1861668899.pdb > /var/tmp/scwrl_1861668899.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1861668899.pdb # conformation set from SCWRL output # naming current conformation PROTINFO_TS2-scwrl # ReadConformPDB reading from PDB file servers/PROTINFO_TS3.pdb.gz looking for model 1 # naming current conformation PROTINFO_TS3 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_1314960525.pdb -s /var/tmp/to_scwrl_1314960525.seq -o /var/tmp/from_scwrl_1314960525.pdb > /var/tmp/scwrl_1314960525.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1314960525.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 # WARNING: incomplete conformation T0360 can't currently be optimized by undertaker # naming current conformation PROTINFO_TS4 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_26019389.pdb -s /var/tmp/to_scwrl_26019389.seq -o /var/tmp/from_scwrl_26019389.pdb > /var/tmp/scwrl_26019389.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_26019389.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 # WARNING: incomplete conformation T0360 can't currently be optimized by undertaker # naming current conformation PROTINFO_TS5 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_1464945537.pdb -s /var/tmp/to_scwrl_1464945537.seq -o /var/tmp/from_scwrl_1464945537.pdb > /var/tmp/scwrl_1464945537.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1464945537.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 T0360 can't currently be optimized by undertaker # naming current conformation Pcons6_TS1 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_157557215.pdb -s /var/tmp/to_scwrl_157557215.seq -o /var/tmp/from_scwrl_157557215.pdb > /var/tmp/scwrl_157557215.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_157557215.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 T0360 can't currently be optimized by undertaker # naming current conformation Pcons6_TS2 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_1559823544.pdb -s /var/tmp/to_scwrl_1559823544.seq -o /var/tmp/from_scwrl_1559823544.pdb > /var/tmp/scwrl_1559823544.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1559823544.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 T0360 can't currently be optimized by undertaker # naming current conformation Pcons6_TS3 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_246990263.pdb -s /var/tmp/to_scwrl_246990263.seq -o /var/tmp/from_scwrl_246990263.pdb > /var/tmp/scwrl_246990263.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_246990263.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 T0360 can't currently be optimized by undertaker # naming current conformation Pcons6_TS4 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_494402293.pdb -s /var/tmp/to_scwrl_494402293.seq -o /var/tmp/from_scwrl_494402293.pdb > /var/tmp/scwrl_494402293.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_494402293.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 T0360 can't currently be optimized by undertaker # naming current conformation Pcons6_TS5 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_642301869.pdb -s /var/tmp/to_scwrl_642301869.seq -o /var/tmp/from_scwrl_642301869.pdb > /var/tmp/scwrl_642301869.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_642301869.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 T0360 can't currently be optimized by undertaker # naming current conformation Phyre-1_TS1 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_1192505048.pdb -s /var/tmp/to_scwrl_1192505048.seq -o /var/tmp/from_scwrl_1192505048.pdb > /var/tmp/scwrl_1192505048.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1192505048.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 # Found a chain break before 140 # copying to AlignedFragments data structure # naming current conformation Phyre-2_TS1 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_1250436198.pdb -s /var/tmp/to_scwrl_1250436198.seq -o /var/tmp/from_scwrl_1250436198.pdb > /var/tmp/scwrl_1250436198.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1250436198.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 # Found a chain break before 140 # copying to AlignedFragments data structure # naming current conformation Phyre-2_TS2 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_1074029116.pdb -s /var/tmp/to_scwrl_1074029116.seq -o /var/tmp/from_scwrl_1074029116.pdb > /var/tmp/scwrl_1074029116.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1074029116.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 # Found a chain break before 140 # copying to AlignedFragments data structure # naming current conformation Phyre-2_TS3 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_737044473.pdb -s /var/tmp/to_scwrl_737044473.seq -o /var/tmp/from_scwrl_737044473.pdb > /var/tmp/scwrl_737044473.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_737044473.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 # Found a chain break before 140 # copying to AlignedFragments data structure # naming current conformation Phyre-2_TS4 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_1512879202.pdb -s /var/tmp/to_scwrl_1512879202.seq -o /var/tmp/from_scwrl_1512879202.pdb > /var/tmp/scwrl_1512879202.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1512879202.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 T0360 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation Phyre-2_TS5 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_149771679.pdb -s /var/tmp/to_scwrl_149771679.seq -o /var/tmp/from_scwrl_149771679.pdb > /var/tmp/scwrl_149771679.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_149771679.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 # WARNING: incomplete conformation T0360 can't currently be optimized by undertaker # naming current conformation Pmodeller6_TS1 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_857542352.pdb -s /var/tmp/to_scwrl_857542352.seq -o /var/tmp/from_scwrl_857542352.pdb > /var/tmp/scwrl_857542352.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_857542352.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 21 # copying to AlignedFragments data structure # naming current conformation Pmodeller6_TS2 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_779845332.pdb -s /var/tmp/to_scwrl_779845332.seq -o /var/tmp/from_scwrl_779845332.pdb > /var/tmp/scwrl_779845332.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_779845332.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 T0360 can't currently be optimized by undertaker # naming current conformation Pmodeller6_TS3 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_82986845.pdb -s /var/tmp/to_scwrl_82986845.seq -o /var/tmp/from_scwrl_82986845.pdb > /var/tmp/scwrl_82986845.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_82986845.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 T0360 can't currently be optimized by undertaker # naming current conformation Pmodeller6_TS4 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_1939145271.pdb -s /var/tmp/to_scwrl_1939145271.seq -o /var/tmp/from_scwrl_1939145271.pdb > /var/tmp/scwrl_1939145271.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1939145271.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 T0360 can't currently be optimized by undertaker # naming current conformation Pmodeller6_TS5 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_136888427.pdb -s /var/tmp/to_scwrl_136888427.seq -o /var/tmp/from_scwrl_136888427.pdb > /var/tmp/scwrl_136888427.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_136888427.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 # naming current conformation RAPTOR-ACE_TS1 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_1886400575.pdb -s /var/tmp/to_scwrl_1886400575.seq -o /var/tmp/from_scwrl_1886400575.pdb > /var/tmp/scwrl_1886400575.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1886400575.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 # naming current conformation RAPTOR-ACE_TS2 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_1756475744.pdb -s /var/tmp/to_scwrl_1756475744.seq -o /var/tmp/from_scwrl_1756475744.pdb > /var/tmp/scwrl_1756475744.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1756475744.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 55 # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS3 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_503823973.pdb -s /var/tmp/to_scwrl_503823973.seq -o /var/tmp/from_scwrl_503823973.pdb > /var/tmp/scwrl_503823973.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_503823973.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 # naming current conformation RAPTOR-ACE_TS4 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_2130718275.pdb -s /var/tmp/to_scwrl_2130718275.seq -o /var/tmp/from_scwrl_2130718275.pdb > /var/tmp/scwrl_2130718275.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2130718275.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 106 # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS5 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_2023005013.pdb -s /var/tmp/to_scwrl_2023005013.seq -o /var/tmp/from_scwrl_2023005013.pdb > /var/tmp/scwrl_2023005013.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2023005013.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 42 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS1 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_844710679.pdb -s /var/tmp/to_scwrl_844710679.seq -o /var/tmp/from_scwrl_844710679.pdb > /var/tmp/scwrl_844710679.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_844710679.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 42 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS2 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_795626486.pdb -s /var/tmp/to_scwrl_795626486.seq -o /var/tmp/from_scwrl_795626486.pdb > /var/tmp/scwrl_795626486.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_795626486.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 42 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS3 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_40931704.pdb -s /var/tmp/to_scwrl_40931704.seq -o /var/tmp/from_scwrl_40931704.pdb > /var/tmp/scwrl_40931704.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_40931704.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 134 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS4 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_448053417.pdb -s /var/tmp/to_scwrl_448053417.seq -o /var/tmp/from_scwrl_448053417.pdb > /var/tmp/scwrl_448053417.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_448053417.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 136 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS5 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_899211277.pdb -s /var/tmp/to_scwrl_899211277.seq -o /var/tmp/from_scwrl_899211277.pdb > /var/tmp/scwrl_899211277.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_899211277.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 # naming current conformation RAPTOR_TS1 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_1441884264.pdb -s /var/tmp/to_scwrl_1441884264.seq -o /var/tmp/from_scwrl_1441884264.pdb > /var/tmp/scwrl_1441884264.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1441884264.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 # naming current conformation RAPTOR_TS2 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_162238670.pdb -s /var/tmp/to_scwrl_162238670.seq -o /var/tmp/from_scwrl_162238670.pdb > /var/tmp/scwrl_162238670.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_162238670.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 # naming current conformation RAPTOR_TS3 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_66688156.pdb -s /var/tmp/to_scwrl_66688156.seq -o /var/tmp/from_scwrl_66688156.pdb > /var/tmp/scwrl_66688156.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_66688156.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 18 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS4 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_1467903653.pdb -s /var/tmp/to_scwrl_1467903653.seq -o /var/tmp/from_scwrl_1467903653.pdb > /var/tmp/scwrl_1467903653.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1467903653.pdb # conformation set from SCWRL output # naming current conformation RAPTOR_TS4-scwrl # ReadConformPDB reading from PDB file servers/ROBETTA_TS1.pdb.gz looking for model 1 # Found a chain break before 21 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS1 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_1627184207.pdb -s /var/tmp/to_scwrl_1627184207.seq -o /var/tmp/from_scwrl_1627184207.pdb > /var/tmp/scwrl_1627184207.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1627184207.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 56 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS2 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_224245371.pdb -s /var/tmp/to_scwrl_224245371.seq -o /var/tmp/from_scwrl_224245371.pdb > /var/tmp/scwrl_224245371.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_224245371.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 58 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS3 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_880243551.pdb -s /var/tmp/to_scwrl_880243551.seq -o /var/tmp/from_scwrl_880243551.pdb > /var/tmp/scwrl_880243551.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_880243551.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 35 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS4 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_1874174470.pdb -s /var/tmp/to_scwrl_1874174470.seq -o /var/tmp/from_scwrl_1874174470.pdb > /var/tmp/scwrl_1874174470.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1874174470.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 # naming current conformation ROBETTA_TS5 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_718647665.pdb -s /var/tmp/to_scwrl_718647665.seq -o /var/tmp/from_scwrl_718647665.pdb > /var/tmp/scwrl_718647665.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_718647665.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 # naming current conformation ROKKY_TS1 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_1522545419.pdb -s /var/tmp/to_scwrl_1522545419.seq -o /var/tmp/from_scwrl_1522545419.pdb > /var/tmp/scwrl_1522545419.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1522545419.pdb # conformation set from SCWRL output # naming current conformation ROKKY_TS1-scwrl # ReadConformPDB reading from PDB file servers/SAM-T02_AL1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0360 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL1 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_919195873.pdb -s /var/tmp/to_scwrl_919195873.seq -o /var/tmp/from_scwrl_919195873.pdb > /var/tmp/scwrl_919195873.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_919195873.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 T0360 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL2 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_1969083863.pdb -s /var/tmp/to_scwrl_1969083863.seq -o /var/tmp/from_scwrl_1969083863.pdb > /var/tmp/scwrl_1969083863.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1969083863.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 T0360 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL3 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_449090890.pdb -s /var/tmp/to_scwrl_449090890.seq -o /var/tmp/from_scwrl_449090890.pdb > /var/tmp/scwrl_449090890.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_449090890.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 T0360 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL4 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_1656240345.pdb -s /var/tmp/to_scwrl_1656240345.seq -o /var/tmp/from_scwrl_1656240345.pdb > /var/tmp/scwrl_1656240345.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1656240345.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 T0360 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL5 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_1334479419.pdb -s /var/tmp/to_scwrl_1334479419.seq -o /var/tmp/from_scwrl_1334479419.pdb > /var/tmp/scwrl_1334479419.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1334479419.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 T0360 can't currently be optimized by undertaker # naming current conformation SAM-T99_AL1 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_598862569.pdb -s /var/tmp/to_scwrl_598862569.seq -o /var/tmp/from_scwrl_598862569.pdb > /var/tmp/scwrl_598862569.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_598862569.pdb # conformation set from SCWRL output # naming current conformation SAM-T99_AL1-scwrl # ReadConformPDB reading from PDB file servers/SAM_T06_server_TS1.pdb.gz looking for model 1 # Found a chain break before 96 # copying to AlignedFragments data structure # naming current conformation SAM_T06_server_TS1 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_366299050.pdb -s /var/tmp/to_scwrl_366299050.seq -o /var/tmp/from_scwrl_366299050.pdb > /var/tmp/scwrl_366299050.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_366299050.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 T0360 can't currently be optimized by undertaker # naming current conformation SAM_T06_server_TS2 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_2114324751.pdb -s /var/tmp/to_scwrl_2114324751.seq -o /var/tmp/from_scwrl_2114324751.pdb > /var/tmp/scwrl_2114324751.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2114324751.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 T0360 can't currently be optimized by undertaker # naming current conformation SAM_T06_server_TS3 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_681849415.pdb -s /var/tmp/to_scwrl_681849415.seq -o /var/tmp/from_scwrl_681849415.pdb > /var/tmp/scwrl_681849415.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_681849415.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 T0360 can't currently be optimized by undertaker # naming current conformation SAM_T06_server_TS4 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_157960675.pdb -s /var/tmp/to_scwrl_157960675.seq -o /var/tmp/from_scwrl_157960675.pdb > /var/tmp/scwrl_157960675.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_157960675.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 T0360 can't currently be optimized by undertaker # naming current conformation SAM_T06_server_TS5 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_103729532.pdb -s /var/tmp/to_scwrl_103729532.seq -o /var/tmp/from_scwrl_103729532.pdb > /var/tmp/scwrl_103729532.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_103729532.pdb # conformation set from SCWRL output # naming current conformation SAM_T06_server_TS5-scwrl # ReadConformPDB reading from PDB file servers/SP3_TS1.pdb.gz looking for model 1 # naming current conformation SP3_TS1 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_420766343.pdb -s /var/tmp/to_scwrl_420766343.seq -o /var/tmp/from_scwrl_420766343.pdb > /var/tmp/scwrl_420766343.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_420766343.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 31 # copying to AlignedFragments data structure # naming current conformation SP3_TS2 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_1914436419.pdb -s /var/tmp/to_scwrl_1914436419.seq -o /var/tmp/from_scwrl_1914436419.pdb > /var/tmp/scwrl_1914436419.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1914436419.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 60 # copying to AlignedFragments data structure # naming current conformation SP3_TS3 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_607553505.pdb -s /var/tmp/to_scwrl_607553505.seq -o /var/tmp/from_scwrl_607553505.pdb > /var/tmp/scwrl_607553505.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_607553505.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 40 # copying to AlignedFragments data structure # naming current conformation SP3_TS4 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_404000972.pdb -s /var/tmp/to_scwrl_404000972.seq -o /var/tmp/from_scwrl_404000972.pdb > /var/tmp/scwrl_404000972.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_404000972.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 # naming current conformation SP3_TS5 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_1789957785.pdb -s /var/tmp/to_scwrl_1789957785.seq -o /var/tmp/from_scwrl_1789957785.pdb > /var/tmp/scwrl_1789957785.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1789957785.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 # naming current conformation SP4_TS1 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_1452264184.pdb -s /var/tmp/to_scwrl_1452264184.seq -o /var/tmp/from_scwrl_1452264184.pdb > /var/tmp/scwrl_1452264184.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1452264184.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 108 # copying to AlignedFragments data structure # naming current conformation SP4_TS2 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_1199627457.pdb -s /var/tmp/to_scwrl_1199627457.seq -o /var/tmp/from_scwrl_1199627457.pdb > /var/tmp/scwrl_1199627457.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1199627457.pdb # conformation set from SCWRL output # naming current conformation SP4_TS2-scwrl # ReadConformPDB reading from PDB file servers/SP4_TS3.pdb.gz looking for model 1 # naming current conformation SP4_TS3 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_1830889490.pdb -s /var/tmp/to_scwrl_1830889490.seq -o /var/tmp/from_scwrl_1830889490.pdb > /var/tmp/scwrl_1830889490.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1830889490.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 57 # copying to AlignedFragments data structure # naming current conformation SP4_TS4 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_1900317601.pdb -s /var/tmp/to_scwrl_1900317601.seq -o /var/tmp/from_scwrl_1900317601.pdb > /var/tmp/scwrl_1900317601.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1900317601.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 # naming current conformation SP4_TS5 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_2098838735.pdb -s /var/tmp/to_scwrl_2098838735.seq -o /var/tmp/from_scwrl_2098838735.pdb > /var/tmp/scwrl_2098838735.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2098838735.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 36 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS1 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_1125290107.pdb -s /var/tmp/to_scwrl_1125290107.seq -o /var/tmp/from_scwrl_1125290107.pdb > /var/tmp/scwrl_1125290107.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1125290107.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 # naming current conformation SPARKS2_TS2 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_2062556271.pdb -s /var/tmp/to_scwrl_2062556271.seq -o /var/tmp/from_scwrl_2062556271.pdb > /var/tmp/scwrl_2062556271.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2062556271.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 26 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS3 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_18043244.pdb -s /var/tmp/to_scwrl_18043244.seq -o /var/tmp/from_scwrl_18043244.pdb > /var/tmp/scwrl_18043244.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_18043244.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 # naming current conformation SPARKS2_TS4 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_445710115.pdb -s /var/tmp/to_scwrl_445710115.seq -o /var/tmp/from_scwrl_445710115.pdb > /var/tmp/scwrl_445710115.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_445710115.pdb # conformation set from SCWRL output # naming current conformation SPARKS2_TS4-scwrl # ReadConformPDB reading from PDB file servers/SPARKS2_TS5.pdb.gz looking for model 1 # naming current conformation SPARKS2_TS5 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_1542256831.pdb -s /var/tmp/to_scwrl_1542256831.seq -o /var/tmp/from_scwrl_1542256831.pdb > /var/tmp/scwrl_1542256831.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1542256831.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 T0360 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS1 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_242288615.pdb -s /var/tmp/to_scwrl_242288615.seq -o /var/tmp/from_scwrl_242288615.pdb > /var/tmp/scwrl_242288615.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_242288615.pdb # conformation set from SCWRL output # naming current conformation UNI-EID_bnmx_TS1-scwrl # ReadConformPDB reading from PDB file servers/UNI-EID_expm_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0360 can't currently be optimized by undertaker # naming current conformation UNI-EID_expm_TS1 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_1325953665.pdb -s /var/tmp/to_scwrl_1325953665.seq -o /var/tmp/from_scwrl_1325953665.pdb > /var/tmp/scwrl_1325953665.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1325953665.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 T0360 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL1 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_1268947655.pdb -s /var/tmp/to_scwrl_1268947655.seq -o /var/tmp/from_scwrl_1268947655.pdb > /var/tmp/scwrl_1268947655.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1268947655.pdb # conformation set from SCWRL output # naming current conformation UNI-EID_sfst_AL1-scwrl # ReadConformPDB reading from PDB file servers/Zhang-Server_TS1.pdb.gz looking for model 1 # Found a chain break before 39 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS1 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_960936280.pdb -s /var/tmp/to_scwrl_960936280.seq -o /var/tmp/from_scwrl_960936280.pdb > /var/tmp/scwrl_960936280.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_960936280.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 110 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS2 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_701015439.pdb -s /var/tmp/to_scwrl_701015439.seq -o /var/tmp/from_scwrl_701015439.pdb > /var/tmp/scwrl_701015439.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_701015439.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 130 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS3 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_40659881.pdb -s /var/tmp/to_scwrl_40659881.seq -o /var/tmp/from_scwrl_40659881.pdb > /var/tmp/scwrl_40659881.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_40659881.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 126 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS4 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_782536497.pdb -s /var/tmp/to_scwrl_782536497.seq -o /var/tmp/from_scwrl_782536497.pdb > /var/tmp/scwrl_782536497.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_782536497.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 109 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS5 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_1150106328.pdb -s /var/tmp/to_scwrl_1150106328.seq -o /var/tmp/from_scwrl_1150106328.pdb > /var/tmp/scwrl_1150106328.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1150106328.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 140 # copying to AlignedFragments data structure # naming current conformation beautshot_TS1 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_1696900226.pdb -s /var/tmp/to_scwrl_1696900226.seq -o /var/tmp/from_scwrl_1696900226.pdb > /var/tmp/scwrl_1696900226.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1696900226.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 T0360 can't currently be optimized by undertaker # naming current conformation beautshotbase_TS1 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_2117015916.pdb -s /var/tmp/to_scwrl_2117015916.seq -o /var/tmp/from_scwrl_2117015916.pdb > /var/tmp/scwrl_2117015916.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2117015916.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 T0360 can't currently be optimized by undertaker # naming current conformation forecast-s_AL1 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_1748968897.pdb -s /var/tmp/to_scwrl_1748968897.seq -o /var/tmp/from_scwrl_1748968897.pdb > /var/tmp/scwrl_1748968897.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1748968897.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 T0360 can't currently be optimized by undertaker # naming current conformation forecast-s_AL2 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_2063199276.pdb -s /var/tmp/to_scwrl_2063199276.seq -o /var/tmp/from_scwrl_2063199276.pdb > /var/tmp/scwrl_2063199276.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2063199276.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 T0360 can't currently be optimized by undertaker # naming current conformation forecast-s_AL3 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_2083857020.pdb -s /var/tmp/to_scwrl_2083857020.seq -o /var/tmp/from_scwrl_2083857020.pdb > /var/tmp/scwrl_2083857020.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2083857020.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 T0360 can't currently be optimized by undertaker # naming current conformation forecast-s_AL4 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_283334665.pdb -s /var/tmp/to_scwrl_283334665.seq -o /var/tmp/from_scwrl_283334665.pdb > /var/tmp/scwrl_283334665.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_283334665.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 T0360 can't currently be optimized by undertaker # naming current conformation forecast-s_AL5 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_73676304.pdb -s /var/tmp/to_scwrl_73676304.seq -o /var/tmp/from_scwrl_73676304.pdb > /var/tmp/scwrl_73676304.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_73676304.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 56 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS1 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_40102905.pdb -s /var/tmp/to_scwrl_40102905.seq -o /var/tmp/from_scwrl_40102905.pdb > /var/tmp/scwrl_40102905.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_40102905.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 # naming current conformation karypis.srv.2_TS2 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_704101009.pdb -s /var/tmp/to_scwrl_704101009.seq -o /var/tmp/from_scwrl_704101009.pdb > /var/tmp/scwrl_704101009.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_704101009.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 93 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS3 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_1988112724.pdb -s /var/tmp/to_scwrl_1988112724.seq -o /var/tmp/from_scwrl_1988112724.pdb > /var/tmp/scwrl_1988112724.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1988112724.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 # naming current conformation karypis.srv.2_TS4 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_647656411.pdb -s /var/tmp/to_scwrl_647656411.seq -o /var/tmp/from_scwrl_647656411.pdb > /var/tmp/scwrl_647656411.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_647656411.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 82 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS5 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_1108101980.pdb -s /var/tmp/to_scwrl_1108101980.seq -o /var/tmp/from_scwrl_1108101980.pdb > /var/tmp/scwrl_1108101980.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1108101980.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 # Found a chain break before 138 # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS1 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_1630586862.pdb -s /var/tmp/to_scwrl_1630586862.seq -o /var/tmp/from_scwrl_1630586862.pdb > /var/tmp/scwrl_1630586862.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1630586862.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 # Found a chain break before 138 # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS2 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_2099920595.pdb -s /var/tmp/to_scwrl_2099920595.seq -o /var/tmp/from_scwrl_2099920595.pdb > /var/tmp/scwrl_2099920595.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2099920595.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 # Found a chain break before 138 # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS3 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_160245791.pdb -s /var/tmp/to_scwrl_160245791.seq -o /var/tmp/from_scwrl_160245791.pdb > /var/tmp/scwrl_160245791.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_160245791.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 # Found a chain break before 138 # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS4 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_1313992705.pdb -s /var/tmp/to_scwrl_1313992705.seq -o /var/tmp/from_scwrl_1313992705.pdb > /var/tmp/scwrl_1313992705.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1313992705.pdb # conformation set from SCWRL output # naming current conformation karypis.srv.4_TS4-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv.4_TS5.pdb.gz looking for model 1 # Found a chain break before 138 # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS5 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_1852754549.pdb -s /var/tmp/to_scwrl_1852754549.seq -o /var/tmp/from_scwrl_1852754549.pdb > /var/tmp/scwrl_1852754549.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1852754549.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 T0360 can't currently be optimized by undertaker # naming current conformation karypis.srv_TS1 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_111600879.pdb -s /var/tmp/to_scwrl_111600879.seq -o /var/tmp/from_scwrl_111600879.pdb > /var/tmp/scwrl_111600879.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_111600879.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 T0360 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation karypis.srv_TS2 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_291799167.pdb -s /var/tmp/to_scwrl_291799167.seq -o /var/tmp/from_scwrl_291799167.pdb > /var/tmp/scwrl_291799167.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_291799167.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 T0360 can't currently be optimized by undertaker # naming current conformation karypis.srv_TS3 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_1767827174.pdb -s /var/tmp/to_scwrl_1767827174.seq -o /var/tmp/from_scwrl_1767827174.pdb > /var/tmp/scwrl_1767827174.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1767827174.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 T0360 can't currently be optimized by undertaker # naming current conformation karypis.srv_TS4 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_129644123.pdb -s /var/tmp/to_scwrl_129644123.seq -o /var/tmp/from_scwrl_129644123.pdb > /var/tmp/scwrl_129644123.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_129644123.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 T0360 can't currently be optimized by undertaker # naming current conformation karypis.srv_TS5 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_737509282.pdb -s /var/tmp/to_scwrl_737509282.seq -o /var/tmp/from_scwrl_737509282.pdb > /var/tmp/scwrl_737509282.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_737509282.pdb # conformation set from SCWRL output # naming current conformation karypis.srv_TS5-scwrl # ReadConformPDB reading from PDB file servers/keasar-server_TS1.pdb.gz looking for model 1 # naming current conformation keasar-server_TS1 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_1162600358.pdb -s /var/tmp/to_scwrl_1162600358.seq -o /var/tmp/from_scwrl_1162600358.pdb > /var/tmp/scwrl_1162600358.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1162600358.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 # naming current conformation keasar-server_TS2 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_371932739.pdb -s /var/tmp/to_scwrl_371932739.seq -o /var/tmp/from_scwrl_371932739.pdb > /var/tmp/scwrl_371932739.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_371932739.pdb # conformation set from SCWRL output # naming current conformation keasar-server_TS2-scwrl # ReadConformPDB reading from PDB file servers/keasar-server_TS3.pdb.gz looking for model 1 # naming current conformation keasar-server_TS3 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_2063462947.pdb -s /var/tmp/to_scwrl_2063462947.seq -o /var/tmp/from_scwrl_2063462947.pdb > /var/tmp/scwrl_2063462947.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2063462947.pdb # conformation set from SCWRL output # naming current conformation keasar-server_TS3-scwrl # ReadConformPDB reading from PDB file servers/keasar-server_TS4.pdb.gz looking for model 1 # naming current conformation keasar-server_TS4 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_284064367.pdb -s /var/tmp/to_scwrl_284064367.seq -o /var/tmp/from_scwrl_284064367.pdb > /var/tmp/scwrl_284064367.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_284064367.pdb # conformation set from SCWRL output # naming current conformation keasar-server_TS4-scwrl # ReadConformPDB reading from PDB file servers/keasar-server_TS5.pdb.gz looking for model 1 # naming current conformation keasar-server_TS5 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_1332869018.pdb -s /var/tmp/to_scwrl_1332869018.seq -o /var/tmp/from_scwrl_1332869018.pdb > /var/tmp/scwrl_1332869018.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1332869018.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 T0360 can't currently be optimized by undertaker # naming current conformation mGen-3D_TS1 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_616994739.pdb -s /var/tmp/to_scwrl_616994739.seq -o /var/tmp/from_scwrl_616994739.pdb > /var/tmp/scwrl_616994739.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_616994739.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 T0360 can't currently be optimized by undertaker # naming current conformation nFOLD_TS1 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_324724248.pdb -s /var/tmp/to_scwrl_324724248.seq -o /var/tmp/from_scwrl_324724248.pdb > /var/tmp/scwrl_324724248.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_324724248.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 T0360 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation nFOLD_TS2 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_2115405515.pdb -s /var/tmp/to_scwrl_2115405515.seq -o /var/tmp/from_scwrl_2115405515.pdb > /var/tmp/scwrl_2115405515.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2115405515.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 T0360 can't currently be optimized by undertaker # naming current conformation nFOLD_TS3 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_1767101067.pdb -s /var/tmp/to_scwrl_1767101067.seq -o /var/tmp/from_scwrl_1767101067.pdb > /var/tmp/scwrl_1767101067.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1767101067.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 T0360 can't currently be optimized by undertaker # naming current conformation nFOLD_TS4 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_2021624474.pdb -s /var/tmp/to_scwrl_2021624474.seq -o /var/tmp/from_scwrl_2021624474.pdb > /var/tmp/scwrl_2021624474.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2021624474.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 T0360 can't currently be optimized by undertaker # naming current conformation nFOLD_TS5 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_2084937784.pdb -s /var/tmp/to_scwrl_2084937784.seq -o /var/tmp/from_scwrl_2084937784.pdb > /var/tmp/scwrl_2084937784.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2084937784.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 T0360 can't currently be optimized by undertaker # naming current conformation panther2_TS1 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_1368586318.pdb -s /var/tmp/to_scwrl_1368586318.seq -o /var/tmp/from_scwrl_1368586318.pdb > /var/tmp/scwrl_1368586318.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1368586318.pdb # conformation set from SCWRL output # naming current conformation panther2_TS1-scwrl # ReadConformPDB reading from PDB file servers/shub_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0360 can't currently be optimized by undertaker # naming current conformation shub_TS1 # request to SCWRL produces command: ulimit -t 127 ; scwrl3 -i /var/tmp/to_scwrl_1937340104.pdb -s /var/tmp/to_scwrl_1937340104.seq -o /var/tmp/from_scwrl_1937340104.pdb > /var/tmp/scwrl_1937340104.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1937340104.pdb # conformation set from SCWRL output # naming current conformation shub_TS1-scwrl # command:CPU_time= 53.283 sec, elapsed time= 1601.578 sec. # command:# Prefix for output files set to decoys/ # command:# Will now start reporting costs to decoys/evaluate.anglevector.rdb # command:# CostConform Warning: Couldn't open file decoys//projects/compbio/experiments/undertaker/spots/near-backbone-center.spot or decoys//projects/compbio/experiments/undertaker/spots/near-backbone-center.spot.gz for input Trying /projects/compbio/experiments/undertaker/spots/near-backbone-center.spot # Reading spots from /projects/compbio/experiments/undertaker/spots/near-backbone-center.spot shub_TS1-scwrl costs 61.964 real_cost = 66.045 shub_TS1 costs 61.947 real_cost = 69.178 panther2_TS1-scwrl costs 56.516 real_cost = 83.396 panther2_TS1 costs 56.449 real_cost = 93.422 nFOLD_TS5-scwrl costs 85.464 real_cost = 259.895 nFOLD_TS5 costs 85.888 real_cost = 317.726 nFOLD_TS4-scwrl costs 79.187 real_cost = 258.589 nFOLD_TS4 costs 79.489 real_cost = 323.549 nFOLD_TS3-scwrl costs 76.791 real_cost = 216.356 nFOLD_TS3 costs 76.941 real_cost = 285.079 nFOLD_TS2-scwrl costs 104.249 real_cost = 232.409 nFOLD_TS2 costs 104.249 real_cost = 305.554 nFOLD_TS1-scwrl costs 61.023 real_cost = 93.062 nFOLD_TS1 costs 60.915 real_cost = 147.247 mGen-3D_TS1-scwrl costs 41.601 real_cost = 50.877 mGen-3D_TS1 costs 41.609 real_cost = 117.803 keasar-server_TS5-scwrl costs 130.115 real_cost = 220.615 keasar-server_TS5 costs 130.115 real_cost = 234.423 keasar-server_TS4-scwrl costs 86.733 real_cost = 192.431 keasar-server_TS4 costs 86.733 real_cost = 204.894 keasar-server_TS3-scwrl costs 62.562 real_cost = 51.428 keasar-server_TS3 costs 62.562 real_cost = 68.698 keasar-server_TS2-scwrl costs 51.853 real_cost = 47.666 keasar-server_TS2 costs 51.853 real_cost = 54.754 keasar-server_TS1-scwrl costs 52.526 real_cost = 45.855 keasar-server_TS1 costs 52.526 real_cost = 49.024 karypis.srv_TS5-scwrl costs 87.400 real_cost = 222.748 karypis.srv_TS5 costs 87.395 real_cost = 216.786 karypis.srv_TS4-scwrl costs 64.451 real_cost = 231.083 karypis.srv_TS4 costs 64.425 real_cost = 228.899 karypis.srv_TS3-scwrl costs 58.428 real_cost = 246.625 karypis.srv_TS3 costs 58.401 real_cost = 245.162 karypis.srv_TS2-scwrl costs 77.913 real_cost = 195.679 karypis.srv_TS2 costs 77.913 real_cost = 195.690 karypis.srv_TS1-scwrl costs 42.263 real_cost = 47.271 karypis.srv_TS1 costs 42.258 real_cost = 46.980 karypis.srv.4_TS5-scwrl costs 132.010 real_cost = 282.852 karypis.srv.4_TS5 costs 132.010 real_cost = 282.869 karypis.srv.4_TS4-scwrl costs 127.916 real_cost = 280.508 karypis.srv.4_TS4 costs 127.916 real_cost = 280.506 karypis.srv.4_TS3-scwrl costs 133.309 real_cost = 295.806 karypis.srv.4_TS3 costs 133.309 real_cost = 295.806 karypis.srv.4_TS2-scwrl costs 116.982 real_cost = 230.629 karypis.srv.4_TS2 costs 116.982 real_cost = 230.629 karypis.srv.4_TS1-scwrl costs 128.408 real_cost = 296.094 karypis.srv.4_TS1 costs 128.408 real_cost = 296.094 karypis.srv.2_TS5-scwrl costs 89.123 real_cost = 230.075 karypis.srv.2_TS5 costs 89.123 real_cost = 230.075 karypis.srv.2_TS4-scwrl costs 90.311 real_cost = 199.816 karypis.srv.2_TS4 costs 90.311 real_cost = 199.816 karypis.srv.2_TS3-scwrl costs 75.987 real_cost = 215.270 karypis.srv.2_TS3 costs 75.987 real_cost = 215.270 karypis.srv.2_TS2-scwrl costs 54.588 real_cost = 61.374 karypis.srv.2_TS2 costs 54.588 real_cost = 61.374 karypis.srv.2_TS1-scwrl costs 45.923 real_cost = 42.933 karypis.srv.2_TS1 costs 45.923 real_cost = 42.933 forecast-s_AL5-scwrl costs 102.576 real_cost = 301.336 forecast-s_AL5 costs 102.584 real_cost = 372.001 forecast-s_AL4-scwrl costs 101.910 real_cost = 279.371 forecast-s_AL4 costs 101.903 real_cost = 362.922 forecast-s_AL3-scwrl costs 150.318 real_cost = 333.406 forecast-s_AL3 costs 150.490 real_cost = 382.998 forecast-s_AL2-scwrl costs 115.848 real_cost = 280.472 forecast-s_AL2 costs 115.832 real_cost = 322.225 forecast-s_AL1-scwrl costs 120.800 real_cost = 299.687 forecast-s_AL1 costs 120.820 real_cost = 347.673 beautshotbase_TS1-scwrl costs 61.072 real_cost = 74.315 beautshotbase_TS1 costs 61.050 real_cost = 69.852 beautshot_TS1-scwrl costs 65.097 real_cost = 42.232 beautshot_TS1 costs 65.097 real_cost = 50.786 Zhang-Server_TS5-scwrl costs 45.157 real_cost = 8.176 Zhang-Server_TS5 costs 45.157 real_cost = 8.176 Zhang-Server_TS4-scwrl costs 46.037 real_cost = 13.100 Zhang-Server_TS4 costs 46.037 real_cost = 12.369 Zhang-Server_TS3-scwrl costs 42.654 real_cost = 11.331 Zhang-Server_TS3 costs 42.654 real_cost = 11.331 Zhang-Server_TS2-scwrl costs 29.499 real_cost = -1.573 Zhang-Server_TS2 costs 29.499 real_cost = -1.096 Zhang-Server_TS1-scwrl costs 42.621 real_cost = 16.185 Zhang-Server_TS1 costs 42.621 real_cost = 17.072 UNI-EID_sfst_AL1-scwrl costs 44.312 real_cost = 67.011 UNI-EID_sfst_AL1 costs 44.259 real_cost = 153.042 UNI-EID_expm_TS1-scwrl costs 63.631 real_cost = 52.374 UNI-EID_expm_TS1 costs 63.565 real_cost = 118.412 UNI-EID_bnmx_TS1-scwrl costs 42.843 real_cost = 68.451 UNI-EID_bnmx_TS1 costs 42.760 real_cost = 154.718 SPARKS2_TS5-scwrl costs 97.204 real_cost = 223.306 SPARKS2_TS5 costs 97.204 real_cost = 224.054 SPARKS2_TS4-scwrl costs 68.648 real_cost = 175.949 SPARKS2_TS4 costs 68.648 real_cost = 182.942 SPARKS2_TS3-scwrl costs 73.735 real_cost = 208.623 SPARKS2_TS3 costs 73.735 real_cost = 204.743 SPARKS2_TS2-scwrl costs 74.427 real_cost = 192.360 SPARKS2_TS2 costs 74.427 real_cost = 196.747 SPARKS2_TS1-scwrl costs 53.103 real_cost = 98.964 SPARKS2_TS1 costs 53.103 real_cost = 105.512 SP4_TS5-scwrl costs 71.612 real_cost = 176.276 SP4_TS5 costs 71.612 real_cost = 181.272 SP4_TS4-scwrl costs 59.168 real_cost = 176.273 SP4_TS4 costs 59.168 real_cost = 183.998 SP4_TS3-scwrl costs 97.469 real_cost = 218.075 SP4_TS3 costs 97.469 real_cost = 220.808 SP4_TS2-scwrl costs 59.003 real_cost = 189.722 SP4_TS2 costs 59.003 real_cost = 190.769 SP4_TS1-scwrl costs 47.437 real_cost = 104.006 SP4_TS1 costs 47.437 real_cost = 108.432 SP3_TS5-scwrl costs 78.163 real_cost = 227.400 SP3_TS5 costs 78.163 real_cost = 235.578 SP3_TS4-scwrl costs 92.006 real_cost = 219.910 SP3_TS4 costs 92.006 real_cost = 219.599 SP3_TS3-scwrl costs 77.676 real_cost = 200.004 SP3_TS3 costs 77.676 real_cost = 208.485 SP3_TS2-scwrl costs 77.174 real_cost = 220.435 SP3_TS2 costs 77.174 real_cost = 218.753 SP3_TS1-scwrl costs 47.437 real_cost = 104.006 SP3_TS1 costs 47.437 real_cost = 108.432 SAM_T06_server_TS5-scwrl costs 77.642 real_cost = 277.120 SAM_T06_server_TS5 costs 77.737 real_cost = 263.011 SAM_T06_server_TS4-scwrl costs 78.991 real_cost = 211.343 SAM_T06_server_TS4 costs 79.096 real_cost = 218.175 SAM_T06_server_TS3-scwrl costs 51.037 real_cost = 243.563 SAM_T06_server_TS3 costs 50.992 real_cost = 232.999 SAM_T06_server_TS2-scwrl costs 41.572 real_cost = 66.300 SAM_T06_server_TS2 costs 41.515 real_cost = 61.852 SAM_T06_server_TS1-scwrl costs 40.706 real_cost = 17.306 SAM_T06_server_TS1 costs 40.706 real_cost = 19.488 SAM-T99_AL1-scwrl costs 52.945 real_cost = 34.290 SAM-T99_AL1 costs 52.911 real_cost = 111.635 SAM-T02_AL5-scwrl costs 94.065 real_cost = 406.872 SAM-T02_AL5 costs 94.064 real_cost = 423.418 SAM-T02_AL4-scwrl costs 106.556 real_cost = 322.183 SAM-T02_AL4 costs 106.613 real_cost = 399.215 SAM-T02_AL3-scwrl costs 90.691 real_cost = 416.332 SAM-T02_AL3 costs 90.723 real_cost = 439.078 SAM-T02_AL2-scwrl costs 115.529 real_cost = 332.295 SAM-T02_AL2 costs 115.496 real_cost = 386.144 SAM-T02_AL1-scwrl costs 45.068 real_cost = 55.606 SAM-T02_AL1 costs 45.063 real_cost = 147.078 ROKKY_TS1-scwrl costs 68.848 real_cost = 71.959 ROKKY_TS1 costs 68.848 real_cost = 74.044 ROBETTA_TS5-scwrl costs 45.478 real_cost = 33.878 ROBETTA_TS5 costs 45.478 real_cost = 33.603 ROBETTA_TS4-scwrl costs 39.742 real_cost = 30.079 ROBETTA_TS4 costs 39.742 real_cost = 29.775 ROBETTA_TS3-scwrl costs 39.754 real_cost = 9.074 ROBETTA_TS3 costs 39.754 real_cost = 13.076 ROBETTA_TS2-scwrl costs 37.005 real_cost = 43.528 ROBETTA_TS2 costs 37.005 real_cost = 40.696 ROBETTA_TS1-scwrl costs 38.822 real_cost = 25.573 ROBETTA_TS1 costs 38.822 real_cost = 27.151 RAPTOR_TS4-scwrl costs 52.880 real_cost = 39.476 RAPTOR_TS4 costs 52.880 real_cost = 51.528 RAPTOR_TS3-scwrl costs 45.906 real_cost = 32.535 RAPTOR_TS3 costs 45.906 real_cost = 35.312 RAPTOR_TS2-scwrl costs 44.688 real_cost = 37.257 RAPTOR_TS2 costs 44.688 real_cost = 34.523 RAPTOR_TS1-scwrl costs 45.906 real_cost = 32.535 RAPTOR_TS1 costs 45.906 real_cost = 35.312 RAPTORESS_TS5-scwrl costs 86.646 real_cost = 202.633 RAPTORESS_TS5 costs 86.646 real_cost = 213.403 RAPTORESS_TS4-scwrl costs 49.321 real_cost = 60.019 RAPTORESS_TS4 costs 49.321 real_cost = 71.806 RAPTORESS_TS3-scwrl costs 50.389 real_cost = 44.509 RAPTORESS_TS3 costs 50.389 real_cost = 52.273 RAPTORESS_TS2-scwrl costs 43.450 real_cost = 48.283 RAPTORESS_TS2 costs 43.450 real_cost = 49.718 RAPTORESS_TS1-scwrl costs 50.389 real_cost = 44.509 RAPTORESS_TS1 costs 50.389 real_cost = 52.273 RAPTOR-ACE_TS5-scwrl costs 65.350 real_cost = 56.106 RAPTOR-ACE_TS5 costs 65.350 real_cost = 59.693 RAPTOR-ACE_TS4-scwrl costs 47.437 real_cost = 104.006 RAPTOR-ACE_TS4 costs 47.437 real_cost = 108.432 RAPTOR-ACE_TS3-scwrl costs 55.788 real_cost = 29.279 RAPTOR-ACE_TS3 costs 55.788 real_cost = 38.112 RAPTOR-ACE_TS2-scwrl costs 45.639 real_cost = 24.479 RAPTOR-ACE_TS2 costs 45.639 real_cost = 25.409 RAPTOR-ACE_TS1-scwrl costs 39.948 real_cost = 24.779 RAPTOR-ACE_TS1 costs 39.948 real_cost = 28.805 Pmodeller6_TS5-scwrl costs 38.340 real_cost = 37.601 Pmodeller6_TS5 costs 38.312 real_cost = 35.201 Pmodeller6_TS4-scwrl costs 38.340 real_cost = 37.601 Pmodeller6_TS4 costs 38.312 real_cost = 35.201 Pmodeller6_TS3-scwrl costs 33.996 real_cost = 30.214 Pmodeller6_TS3 costs 34.008 real_cost = 28.614 Pmodeller6_TS2-scwrl costs 38.822 real_cost = 25.573 Pmodeller6_TS2 costs 38.822 real_cost = 27.151 Pmodeller6_TS1-scwrl costs 43.762 real_cost = 41.356 Pmodeller6_TS1 costs 43.728 real_cost = 39.558 Phyre-2_TS5-scwrl costs 56.986 real_cost = 65.015 Phyre-2_TS5 costs 56.986 real_cost = 57.870 Phyre-2_TS4-scwrl costs 39.209 real_cost = 45.201 Phyre-2_TS4 costs 39.209 real_cost = 37.633 Phyre-2_TS3-scwrl costs 34.553 real_cost = 42.266 Phyre-2_TS3 costs 34.553 real_cost = 35.528 Phyre-2_TS2-scwrl costs 37.549 real_cost = 42.313 Phyre-2_TS2 costs 37.549 real_cost = 35.572 Phyre-2_TS1-scwrl costs 41.060 real_cost = 45.201 Phyre-2_TS1 costs 41.060 real_cost = 37.633 Phyre-1_TS1-scwrl costs 54.413 real_cost = 76.869 Phyre-1_TS1 costs 54.373 real_cost = 73.681 Pcons6_TS5-scwrl costs 43.762 real_cost = 41.356 Pcons6_TS5 costs 43.728 real_cost = 39.558 Pcons6_TS4-scwrl costs 38.340 real_cost = 37.601 Pcons6_TS4 costs 38.312 real_cost = 35.201 Pcons6_TS3-scwrl costs 33.996 real_cost = 30.214 Pcons6_TS3 costs 34.008 real_cost = 28.614 Pcons6_TS2-scwrl costs 38.340 real_cost = 37.601 Pcons6_TS2 costs 38.312 real_cost = 35.201 Pcons6_TS1-scwrl costs 36.046 real_cost = 36.344 Pcons6_TS1 costs 36.029 real_cost = 34.544 PROTINFO_TS5-scwrl costs 41.381 real_cost = 61.259 PROTINFO_TS5 costs 41.389 real_cost = 61.067 PROTINFO_TS4-scwrl costs 76.371 real_cost = 182.824 PROTINFO_TS4 costs 76.364 real_cost = 185.964 PROTINFO_TS3-scwrl costs 34.854 real_cost = 33.107 PROTINFO_TS3 costs 34.854 real_cost = 32.316 PROTINFO_TS2-scwrl costs 35.130 real_cost = 30.737 PROTINFO_TS2 costs 35.130 real_cost = 32.391 PROTINFO_TS1-scwrl costs 36.633 real_cost = 30.132 PROTINFO_TS1 costs 36.633 real_cost = 31.834 PROTINFO-AB_TS5-scwrl costs 37.814 real_cost = 30.373 PROTINFO-AB_TS5 costs 37.814 real_cost = 32.077 PROTINFO-AB_TS4-scwrl costs 32.373 real_cost = 30.491 PROTINFO-AB_TS4 costs 32.373 real_cost = 32.945 PROTINFO-AB_TS3-scwrl costs 36.016 real_cost = 30.961 PROTINFO-AB_TS3 costs 36.016 real_cost = 32.656 PROTINFO-AB_TS2-scwrl costs 32.124 real_cost = 31.180 PROTINFO-AB_TS2 costs 32.124 real_cost = 33.107 PROTINFO-AB_TS1-scwrl costs 36.633 real_cost = 30.132 PROTINFO-AB_TS1 costs 36.633 real_cost = 31.834 POMYSL_TS5-scwrl costs 143.610 real_cost = 248.168 POMYSL_TS5 costs 143.610 real_cost = 271.197 POMYSL_TS4-scwrl costs 146.365 real_cost = 229.688 POMYSL_TS4 costs 146.365 real_cost = 250.652 POMYSL_TS3-scwrl costs 151.352 real_cost = 245.037 POMYSL_TS3 costs 151.352 real_cost = 274.530 POMYSL_TS2-scwrl costs 141.572 real_cost = 211.913 POMYSL_TS2 costs 141.572 real_cost = 246.773 POMYSL_TS1-scwrl costs 156.938 real_cost = 241.830 POMYSL_TS1 costs 156.938 real_cost = 258.617 NN_PUT_lab_TS1-scwrl costs 47.437 real_cost = 104.006 NN_PUT_lab_TS1 costs 47.437 real_cost = 108.432 MetaTasser_TS5-scwrl costs 73.820 real_cost = 85.265 MetaTasser_TS5 costs 73.820 real_cost = 88.221 MetaTasser_TS4-scwrl costs 109.699 real_cost = 133.380 MetaTasser_TS4 costs 109.699 real_cost = 160.084 MetaTasser_TS3-scwrl costs 117.374 real_cost = 178.099 MetaTasser_TS3 costs 117.374 real_cost = 169.285 MetaTasser_TS2-scwrl costs 115.825 real_cost = 152.375 MetaTasser_TS2 costs 115.825 real_cost = 155.451 MetaTasser_TS1-scwrl costs 56.099 real_cost = 44.569 MetaTasser_TS1 costs 56.099 real_cost = 45.703 Ma-OPUS-server_TS5-scwrl costs 81.037 real_cost = 251.911 Ma-OPUS-server_TS5 costs 81.037 real_cost = 257.590 Ma-OPUS-server_TS4-scwrl costs 78.358 real_cost = 229.413 Ma-OPUS-server_TS4 costs 78.358 real_cost = 233.700 Ma-OPUS-server_TS3-scwrl costs 75.411 real_cost = 174.468 Ma-OPUS-server_TS3 costs 75.411 real_cost = 185.031 Ma-OPUS-server_TS2-scwrl costs 67.528 real_cost = 24.949 Ma-OPUS-server_TS2 costs 67.528 real_cost = 25.518 Ma-OPUS-server_TS1-scwrl costs 51.538 real_cost = 39.560 Ma-OPUS-server_TS1 costs 51.538 real_cost = 48.723 Ma-OPUS-server2_TS5-scwrl costs 81.037 real_cost = 251.911 Ma-OPUS-server2_TS5 costs 81.037 real_cost = 257.590 Ma-OPUS-server2_TS4-scwrl costs 77.581 real_cost = 210.770 Ma-OPUS-server2_TS4 costs 77.581 real_cost = 211.807 Ma-OPUS-server2_TS3-scwrl costs 67.955 real_cost = 159.925 Ma-OPUS-server2_TS3 costs 67.955 real_cost = 158.088 Ma-OPUS-server2_TS2-scwrl costs 51.538 real_cost = 39.560 Ma-OPUS-server2_TS2 costs 51.538 real_cost = 48.723 Ma-OPUS-server2_TS1-scwrl costs 61.420 real_cost = 26.516 Ma-OPUS-server2_TS1 costs 61.420 real_cost = 34.778 MIG_FROST_AL1-scwrl costs 84.573 real_cost = 316.634 MIG_FROST_AL1 costs 84.559 real_cost = 368.578 LOOPP_TS5-scwrl costs 65.105 real_cost = 218.437 LOOPP_TS5 costs 65.117 real_cost = 222.124 LOOPP_TS4-scwrl costs 59.046 real_cost = 174.806 LOOPP_TS4 costs 59.058 real_cost = 172.369 LOOPP_TS3-scwrl costs 76.270 real_cost = 239.161 LOOPP_TS3 costs 76.253 real_cost = 241.402 LOOPP_TS2-scwrl costs 73.436 real_cost = 183.556 LOOPP_TS2 costs 73.439 real_cost = 184.262 LOOPP_TS1-scwrl costs 48.160 real_cost = 16.418 LOOPP_TS1 costs 48.126 real_cost = 18.093 Huber-Torda-Server_TS5-scwrl costs 84.927 real_cost = 273.031 Huber-Torda-Server_TS5 costs 84.880 real_cost = 311.417 Huber-Torda-Server_TS4-scwrl costs 110.845 real_cost = 288.626 Huber-Torda-Server_TS4 costs 110.721 real_cost = 341.185 Huber-Torda-Server_TS3-scwrl costs 115.669 real_cost = 428.707 Huber-Torda-Server_TS3 costs 115.610 real_cost = 437.406 Huber-Torda-Server_TS2-scwrl costs 112.378 real_cost = 255.546 Huber-Torda-Server_TS2 costs 112.416 real_cost = 287.740 Huber-Torda-Server_TS1-scwrl costs 129.220 real_cost = 380.562 Huber-Torda-Server_TS1 costs 129.171 real_cost = 405.289 HHpred3_TS1-scwrl costs 58.408 real_cost = 12.743 HHpred3_TS1 costs 58.408 real_cost = 12.755 HHpred2_TS1-scwrl costs 58.408 real_cost = 12.743 HHpred2_TS1 costs 58.408 real_cost = 12.755 HHpred1_TS1-scwrl costs 58.408 real_cost = 12.743 HHpred1_TS1 costs 58.408 real_cost = 12.755 GeneSilicoMetaServer_TS5-scwrl costs 46.158 real_cost = 59.570 GeneSilicoMetaServer_TS5 costs 46.162 real_cost = 53.283 GeneSilicoMetaServer_TS4-scwrl costs 61.532 real_cost = 92.177 GeneSilicoMetaServer_TS4 costs 61.532 real_cost = 93.824 GeneSilicoMetaServer_TS3-scwrl costs 49.525 real_cost = 50.307 GeneSilicoMetaServer_TS3 costs 49.517 real_cost = 53.279 GeneSilicoMetaServer_TS2-scwrl costs 38.687 real_cost = 49.353 GeneSilicoMetaServer_TS2 costs 38.707 real_cost = 54.535 GeneSilicoMetaServer_TS1-scwrl costs 46.158 real_cost = 59.570 GeneSilicoMetaServer_TS1 costs 46.162 real_cost = 53.283 FUNCTION_TS5-scwrl costs 66.851 real_cost = 226.579 FUNCTION_TS5 costs 66.851 real_cost = 230.091 FUNCTION_TS4-scwrl costs 71.019 real_cost = 262.063 FUNCTION_TS4 costs 71.019 real_cost = 268.052 FUNCTION_TS3-scwrl costs 77.522 real_cost = 210.273 FUNCTION_TS3 costs 77.524 real_cost = 208.432 FUNCTION_TS2-scwrl costs 74.093 real_cost = 194.169 FUNCTION_TS2 costs 74.093 real_cost = 197.182 FUNCTION_TS1-scwrl costs 35.935 real_cost = 58.079 FUNCTION_TS1 costs 35.947 real_cost = 59.155 FUGUE_AL5-scwrl costs 85.824 real_cost = 398.611 FUGUE_AL5 costs 85.843 real_cost = 410.753 FUGUE_AL4-scwrl costs 88.428 real_cost = 262.083 FUGUE_AL4 costs 88.450 real_cost = 326.157 FUGUE_AL2-scwrl costs 104.610 real_cost = 208.403 FUGUE_AL2 costs 104.654 real_cost = 286.214 FUGUE_AL1-scwrl costs 37.685 real_cost = 61.427 FUGUE_AL1 costs 37.676 real_cost = 150.873 FUGMOD_TS5-scwrl costs 87.325 real_cost = 386.542 FUGMOD_TS5 costs 87.342 real_cost = 393.398 FUGMOD_TS4-scwrl costs 86.571 real_cost = 232.193 FUGMOD_TS4 costs 86.559 real_cost = 230.316 FUGMOD_TS3-scwrl costs 163.106 real_cost = 291.172 FUGMOD_TS3 costs 163.106 real_cost = 295.636 FUGMOD_TS2-scwrl costs 96.843 real_cost = 185.454 FUGMOD_TS2 costs 96.843 real_cost = 185.174 FUGMOD_TS1-scwrl costs 37.878 real_cost = 44.245 FUGMOD_TS1 costs 37.856 real_cost = 46.196 FPSOLVER-SERVER_TS5-scwrl costs 150.380 real_cost = 247.197 FPSOLVER-SERVER_TS5 costs 150.380 real_cost = 260.961 FPSOLVER-SERVER_TS4-scwrl costs 140.571 real_cost = 301.719 FPSOLVER-SERVER_TS4 costs 140.571 real_cost = 316.909 FPSOLVER-SERVER_TS3-scwrl costs 143.868 real_cost = 236.640 FPSOLVER-SERVER_TS3 costs 143.868 real_cost = 237.206 FPSOLVER-SERVER_TS2-scwrl costs 158.454 real_cost = 301.084 FPSOLVER-SERVER_TS2 costs 158.454 real_cost = 302.515 FPSOLVER-SERVER_TS1-scwrl costs 138.739 real_cost = 242.191 FPSOLVER-SERVER_TS1 costs 138.739 real_cost = 249.231 FORTE2_AL5-scwrl costs 75.290 real_cost = 268.639 FORTE2_AL5 costs 75.266 real_cost = 334.087 FORTE2_AL4-scwrl costs 98.478 real_cost = 264.055 FORTE2_AL4 costs 98.502 real_cost = 338.142 FORTE2_AL3-scwrl costs 108.095 real_cost = 268.504 FORTE2_AL3 costs 108.153 real_cost = 329.963 FORTE2_AL2-scwrl costs 83.380 real_cost = 312.048 FORTE2_AL2 costs 83.313 real_cost = 376.458 FORTE2_AL1-scwrl costs 42.488 real_cost = 72.836 FORTE2_AL1 costs 42.657 real_cost = 160.246 FORTE1_AL5-scwrl costs 75.290 real_cost = 268.639 FORTE1_AL5 costs 75.266 real_cost = 334.087 FORTE1_AL4-scwrl costs 98.478 real_cost = 264.055 FORTE1_AL4 costs 98.502 real_cost = 338.142 FORTE1_AL3-scwrl costs 108.095 real_cost = 268.504 FORTE1_AL3 costs 108.153 real_cost = 329.963 FORTE1_AL2-scwrl costs 83.380 real_cost = 312.048 FORTE1_AL2 costs 83.313 real_cost = 376.458 FORTE1_AL1-scwrl costs 42.488 real_cost = 72.836 FORTE1_AL1 costs 42.657 real_cost = 160.246 FOLDpro_TS5-scwrl costs 129.229 real_cost = 245.496 FOLDpro_TS5 costs 129.229 real_cost = 246.274 FOLDpro_TS4-scwrl costs 108.205 real_cost = 261.132 FOLDpro_TS4 costs 108.205 real_cost = 267.518 FOLDpro_TS3-scwrl costs 125.884 real_cost = 248.738 FOLDpro_TS3 costs 125.884 real_cost = 250.692 FOLDpro_TS2-scwrl costs 125.971 real_cost = 242.866 FOLDpro_TS2 costs 125.971 real_cost = 253.044 FOLDpro_TS1-scwrl costs 54.811 real_cost = 30.464 FOLDpro_TS1 costs 54.811 real_cost = 34.970 FAMS_TS5-scwrl costs 43.486 real_cost = 42.353 FAMS_TS5 costs 43.486 real_cost = 42.060 FAMS_TS4-scwrl costs 39.504 real_cost = 61.356 FAMS_TS4 costs 39.516 real_cost = 62.014 FAMS_TS3-scwrl costs 54.499 real_cost = 75.748 FAMS_TS3 costs 54.486 real_cost = 70.894 FAMS_TS2-scwrl costs 37.270 real_cost = 68.832 FAMS_TS2 costs 37.283 real_cost = 67.057 FAMS_TS1-scwrl costs 43.713 real_cost = 36.885 FAMS_TS1 costs 43.713 real_cost = 38.125 FAMSD_TS5-scwrl costs 50.174 real_cost = 82.145 FAMSD_TS5 costs 50.177 real_cost = 88.391 FAMSD_TS4-scwrl costs 50.849 real_cost = 73.332 FAMSD_TS4 costs 50.822 real_cost = 64.343 FAMSD_TS3-scwrl costs 57.278 real_cost = 101.555 FAMSD_TS3 costs 57.268 real_cost = 98.547 FAMSD_TS2-scwrl costs 39.504 real_cost = 61.356 FAMSD_TS2 costs 39.516 real_cost = 62.014 FAMSD_TS1-scwrl costs 34.449 real_cost = 49.765 FAMSD_TS1 costs 34.449 real_cost = 47.845 Distill_TS5-scwrl costs 246.631 real_cost = 383.217 Distill_TS4-scwrl costs 247.227 real_cost = 389.024 Distill_TS3-scwrl costs 247.764 real_cost = 390.120 Distill_TS2-scwrl costs 246.662 real_cost = 383.688 Distill_TS1-scwrl costs 245.377 real_cost = 391.402 CaspIta-FOX_TS5-scwrl costs 119.364 real_cost = 319.757 CaspIta-FOX_TS5 costs 119.488 real_cost = 310.965 CaspIta-FOX_TS4-scwrl costs 95.512 real_cost = 268.835 CaspIta-FOX_TS4 costs 95.536 real_cost = 266.295 CaspIta-FOX_TS3-scwrl costs 76.178 real_cost = 288.783 CaspIta-FOX_TS3 costs 76.199 real_cost = 285.142 CaspIta-FOX_TS2-scwrl costs 116.847 real_cost = 341.398 CaspIta-FOX_TS2 costs 116.879 real_cost = 328.160 CaspIta-FOX_TS1-scwrl costs 39.040 real_cost = 53.519 CaspIta-FOX_TS1 costs 39.053 real_cost = 47.280 CIRCLE_TS5-scwrl costs 54.499 real_cost = 75.748 CIRCLE_TS5 costs 54.486 real_cost = 70.894 CIRCLE_TS4-scwrl costs 44.287 real_cost = 66.633 CIRCLE_TS4 costs 44.299 real_cost = 63.095 CIRCLE_TS3-scwrl costs 37.270 real_cost = 68.832 CIRCLE_TS3 costs 37.283 real_cost = 67.057 CIRCLE_TS2-scwrl costs 36.776 real_cost = 62.099 CIRCLE_TS2 costs 36.750 real_cost = 60.732 CIRCLE_TS1-scwrl costs 43.486 real_cost = 42.353 CIRCLE_TS1 costs 43.486 real_cost = 42.060 Bilab-ENABLE_TS1-scwrl costs 39.432 real_cost = 25.332 Bilab-ENABLE_TS1 costs 39.432 real_cost = 25.345 BayesHH_TS1-scwrl costs 48.912 real_cost = 45.032 BayesHH_TS1 costs 48.912 real_cost = 48.500 ABIpro_TS5-scwrl costs 69.694 real_cost = 186.135 ABIpro_TS5 costs 69.694 real_cost = 187.519 ABIpro_TS4-scwrl costs 63.182 real_cost = 207.419 ABIpro_TS4 costs 63.182 real_cost = 205.806 ABIpro_TS3-scwrl costs 57.646 real_cost = 178.412 ABIpro_TS3 costs 57.646 real_cost = 178.526 ABIpro_TS2-scwrl costs 86.357 real_cost = 233.899 ABIpro_TS2 costs 86.357 real_cost = 233.906 ABIpro_TS1-scwrl costs 64.478 real_cost = 186.898 ABIpro_TS1 costs 64.478 real_cost = 187.451 3Dpro_TS5-scwrl costs 64.478 real_cost = 186.898 3Dpro_TS5 costs 64.478 real_cost = 187.451 3Dpro_TS4-scwrl costs 92.803 real_cost = 155.137 3Dpro_TS4 costs 92.803 real_cost = 162.094 3Dpro_TS3-scwrl costs 126.437 real_cost = 267.981 3Dpro_TS3 costs 126.437 real_cost = 267.871 3Dpro_TS2-scwrl costs 132.426 real_cost = 277.982 3Dpro_TS2 costs 132.426 real_cost = 280.040 3Dpro_TS1-scwrl costs 55.925 real_cost = 92.525 3Dpro_TS1 costs 55.925 real_cost = 95.025 3D-JIGSAW_TS5-scwrl costs 112.462 real_cost = 278.466 3D-JIGSAW_TS5 costs 112.422 real_cost = 273.045 3D-JIGSAW_TS4-scwrl costs 83.239 real_cost = 246.449 3D-JIGSAW_TS4 costs 83.242 real_cost = 261.454 3D-JIGSAW_TS3-scwrl costs 67.448 real_cost = 98.831 3D-JIGSAW_TS3 costs 67.440 real_cost = 109.825 3D-JIGSAW_TS2-scwrl costs 101.272 real_cost = 401.723 3D-JIGSAW_TS2 costs 101.292 real_cost = 414.642 3D-JIGSAW_TS1-scwrl costs 113.374 real_cost = 315.827 3D-JIGSAW_TS1 costs 113.382 real_cost = 330.900 3D-JIGSAW_RECOM_TS5-scwrl costs 97.772 real_cost = 413.507 3D-JIGSAW_RECOM_TS5 costs 97.773 real_cost = 414.292 3D-JIGSAW_RECOM_TS4-scwrl costs 81.749 real_cost = 374.381 3D-JIGSAW_RECOM_TS4 costs 81.758 real_cost = 385.270 3D-JIGSAW_RECOM_TS3-scwrl costs 94.787 real_cost = 417.854 3D-JIGSAW_RECOM_TS3 costs 94.788 real_cost = 431.519 3D-JIGSAW_RECOM_TS2-scwrl costs 104.951 real_cost = 418.813 3D-JIGSAW_RECOM_TS2 costs 104.931 real_cost = 419.440 3D-JIGSAW_RECOM_TS1-scwrl costs 100.047 real_cost = 397.700 3D-JIGSAW_RECOM_TS1 costs 100.048 real_cost = 401.570 3D-JIGSAW_POPULUS_TS5-scwrl costs 52.921 real_cost = 83.429 3D-JIGSAW_POPULUS_TS5 costs 52.921 real_cost = 83.429 3D-JIGSAW_POPULUS_TS4-scwrl costs 55.311 real_cost = 203.827 3D-JIGSAW_POPULUS_TS4 costs 55.311 real_cost = 203.827 3D-JIGSAW_POPULUS_TS3-scwrl costs 60.605 real_cost = 188.786 3D-JIGSAW_POPULUS_TS3 costs 60.605 real_cost = 188.786 3D-JIGSAW_POPULUS_TS2-scwrl costs 66.490 real_cost = 204.902 3D-JIGSAW_POPULUS_TS2 costs 66.490 real_cost = 204.902 3D-JIGSAW_POPULUS_TS1-scwrl costs 54.339 real_cost = 98.652 3D-JIGSAW_POPULUS_TS1 costs 54.339 real_cost = 98.652 T0360.try9-opt2.repack-nonPC.pdb.gz costs 36.947 real_cost = 124.207 T0360.try9-opt2.pdb.gz costs 36.947 real_cost = 125.752 T0360.try9-opt2.gromacs0.repack-nonPC.pdb.gz costs 31.440 real_cost = 128.357 T0360.try9-opt2.gromacs0.pdb.gz costs 31.440 real_cost = 129.750 T0360.try9-opt1.pdb.gz costs 36.038 real_cost = 125.477 T0360.try9-opt1-scwrl.pdb.gz costs 36.038 real_cost = 126.804 T0360.try8-opt2.repack-nonPC.pdb.gz costs 40.794 real_cost = 28.350 T0360.try8-opt2.pdb.gz costs 40.794 real_cost = 27.414 T0360.try8-opt2.gromacs0.repack-nonPC.pdb.gz costs 31.209 real_cost = 25.748 T0360.try8-opt2.gromacs0.pdb.gz costs 31.209 real_cost = 28.190 T0360.try8-opt1.pdb.gz costs 37.064 real_cost = 27.947 T0360.try8-opt1-scwrl.pdb.gz costs 37.064 real_cost = 25.373 T0360.try7-opt2.repack-nonPC.pdb.gz costs 43.494 real_cost = 132.118 T0360.try7-opt2.pdb.gz costs 43.494 real_cost = 126.674 T0360.try7-opt2.gromacs0.repack-nonPC.pdb.gz costs 33.427 real_cost = 132.640 T0360.try7-opt2.gromacs0.pdb.gz costs 33.427 real_cost = 130.207 T0360.try7-opt1.pdb.gz costs 42.394 real_cost = 130.372 T0360.try7-opt1-scwrl.pdb.gz costs 42.394 real_cost = 130.918 T0360.try6-opt2.repack-nonPC.pdb.gz costs 37.827 real_cost = -10.402 T0360.try6-opt2.pdb.gz costs 37.827 real_cost = -6.930 T0360.try6-opt2.gromacs0.repack-nonPC.pdb.gz costs 31.832 real_cost = -4.347 T0360.try6-opt2.gromacs0.pdb.gz costs 31.832 real_cost = -9.425 T0360.try6-opt1.pdb.gz costs 35.328 real_cost = -5.194 T0360.try6-opt1-scwrl.pdb.gz costs 35.328 real_cost = -6.307 T0360.try5-opt2.repack-nonPC.pdb.gz costs 37.040 real_cost = 33.962 T0360.try5-opt2.pdb.gz costs 37.040 real_cost = 35.101 T0360.try5-opt2.gromacs0.repack-nonPC.pdb.gz costs 28.935 real_cost = 29.453 T0360.try5-opt2.gromacs0.pdb.gz costs 28.935 real_cost = 32.240 T0360.try5-opt1.pdb.gz costs 29.957 real_cost = 34.193 T0360.try5-opt1-scwrl.pdb.gz costs 29.957 real_cost = 35.258 T0360.try4-opt2.repack-nonPC.pdb.gz costs 41.943 real_cost = 9.507 T0360.try4-opt2.pdb.gz costs 41.943 real_cost = 15.514 T0360.try4-opt2.gromacs0.repack-nonPC.pdb.gz costs 28.413 real_cost = 9.741 T0360.try4-opt2.gromacs0.pdb.gz costs 28.413 real_cost = 15.067 T0360.try4-opt1.pdb.gz costs 40.405 real_cost = 16.458 T0360.try4-opt1-scwrl.pdb.gz costs 40.405 real_cost = 16.034 T0360.try3-opt2.repack-nonPC.pdb.gz costs 38.512 real_cost = 8.953 T0360.try3-opt2.pdb.gz costs 38.512 real_cost = 9.052 T0360.try3-opt2.gromacs0.repack-nonPC.pdb.gz costs 27.166 real_cost = 9.981 T0360.try3-opt2.gromacs0.pdb.gz costs 27.166 real_cost = 10.377 T0360.try3-opt1.pdb.gz costs 33.515 real_cost = 10.568 T0360.try3-opt1-scwrl.pdb.gz costs 33.515 real_cost = 3.652 T0360.try24-opt2.repack-nonPC.pdb.gz costs 28.527 real_cost = 20.272 T0360.try24-opt2.pdb.gz costs 28.527 real_cost = 19.744 T0360.try24-opt2.gromacs0.repack-nonPC.pdb.gz costs 28.500 real_cost = 18.128 T0360.try24-opt2.gromacs0.pdb.gz costs 28.500 real_cost = 17.480 T0360.try24-opt1.pdb.gz costs 31.108 real_cost = 19.193 T0360.try24-opt1-scwrl.pdb.gz costs 31.108 real_cost = 20.482 T0360.try23-opt2.repack-nonPC.pdb.gz costs 35.210 real_cost = -2.888 T0360.try23-opt2.pdb.gz costs 35.210 real_cost = -8.938 T0360.try23-opt2.gromacs0.pdb.gz costs 33.853 real_cost = -10.878 T0360.try23-opt1.pdb.gz costs 34.864 real_cost = -8.775 T0360.try23-opt1-scwrl.pdb.gz costs 34.864 real_cost = -12.781 T0360.try22-opt2.repack-nonPC.pdb.gz costs 34.864 real_cost = -3.641 T0360.try22-opt2.pdb.gz costs 34.864 real_cost = -5.944 T0360.try22-opt2.gromacs0.repack-nonPC.pdb.gz costs 33.418 real_cost = -7.245 T0360.try22-opt2.gromacs0.pdb.gz costs 33.418 real_cost = -9.175 T0360.try22-opt1.pdb.gz costs 33.771 real_cost = -10.127 T0360.try22-opt1-scwrl.pdb.gz costs 33.771 real_cost = -11.576 T0360.try21-opt2.repack-nonPC.pdb.gz costs 35.035 real_cost = -33.423 T0360.try21-opt2.pdb.gz costs 35.035 real_cost = -36.896 T0360.try21-opt2.gromacs0.repack-nonPC.pdb.gz costs 29.315 real_cost = -37.660 T0360.try21-opt2.gromacs0.pdb.gz costs 29.315 real_cost = -39.264 T0360.try21-opt1.pdb.gz costs 32.840 real_cost = -35.440 T0360.try21-opt1-scwrl.pdb.gz costs 32.840 real_cost = -41.106 T0360.try20-opt2.repack-nonPC.pdb.gz costs 38.234 real_cost = -4.277 T0360.try20-opt2.pdb.gz costs 38.234 real_cost = -2.416 T0360.try20-opt2.gromacs0.repack-nonPC.pdb.gz costs 31.762 real_cost = -9.586 T0360.try20-opt2.gromacs0.pdb.gz costs 31.762 real_cost = -5.448 T0360.try20-opt1.pdb.gz costs 38.125 real_cost = -3.224 T0360.try20-opt1-scwrl.pdb.gz costs 38.125 real_cost = -10.415 T0360.try2-opt2.repack-nonPC.pdb.gz costs 41.415 real_cost = 36.394 T0360.try2-opt2.pdb.gz costs 41.415 real_cost = 33.897 T0360.try2-opt2.gromacs0.repack-nonPC.pdb.gz costs 31.751 real_cost = 29.796 T0360.try2-opt2.gromacs0.pdb.gz costs 31.751 real_cost = 29.481 T0360.try2-opt1.pdb.gz costs 40.794 real_cost = 33.454 T0360.try2-opt1-scwrl.pdb.gz costs 40.794 real_cost = 33.294 T0360.try19-opt2.repack-nonPC.pdb.gz costs 29.436 real_cost = 23.351 T0360.try19-opt2.pdb.gz costs 29.436 real_cost = 22.849 T0360.try19-opt2.gromacs0.repack-nonPC.pdb.gz costs 29.688 real_cost = 19.461 T0360.try19-opt2.gromacs0.pdb.gz costs 29.688 real_cost = 24.047 T0360.try19-opt1.pdb.gz costs 29.044 real_cost = 21.152 T0360.try19-opt1-scwrl.pdb.gz costs 29.044 real_cost = 20.311 T0360.try18-opt2.repack-nonPC.pdb.gz costs 39.125 real_cost = 24.708 T0360.try18-opt2.pdb.gz costs 39.125 real_cost = 20.628 T0360.try18-opt2.gromacs0.repack-nonPC.pdb.gz costs 31.585 real_cost = 18.223 T0360.try18-opt2.gromacs0.pdb.gz costs 31.585 real_cost = 20.477 T0360.try18-opt1.pdb.gz costs 39.125 real_cost = 22.975 T0360.try18-opt1-scwrl.pdb.gz costs 39.125 real_cost = 17.253 T0360.try16-opt2.repack-nonPC.pdb.gz costs 28.469 real_cost = 19.252 T0360.try16-opt2.pdb.gz costs 28.469 real_cost = 18.067 T0360.try16-opt2.gromacs0.repack-nonPC.pdb.gz costs 28.144 real_cost = 17.686 T0360.try16-opt2.gromacs0.pdb.gz costs 28.144 real_cost = 19.990 T0360.try16-opt1.pdb.gz costs 28.179 real_cost = 20.361 T0360.try16-opt1-scwrl.pdb.gz costs 28.179 real_cost = 17.497 T0360.try15-opt2.repack-nonPC.pdb.gz costs 38.712 real_cost = 5.118 T0360.try15-opt2.pdb.gz costs 38.712 real_cost = 11.720 T0360.try15-opt2.gromacs0.repack-nonPC.pdb.gz costs 26.865 real_cost = 5.174 T0360.try15-opt2.gromacs0.pdb.gz costs 26.865 real_cost = 9.508 T0360.try15-opt1.pdb.gz costs 38.512 real_cost = 10.994 T0360.try15-opt1-scwrl.pdb.gz costs 38.512 real_cost = 4.078 T0360.try14-opt2.repack-nonPC.pdb.gz costs 38.285 real_cost = 32.184 T0360.try14-opt2.pdb.gz costs 38.285 real_cost = 30.464 T0360.try14-opt2.gromacs0.repack-nonPC.pdb.gz costs 28.865 real_cost = 28.456 T0360.try14-opt2.gromacs0.pdb.gz costs 28.865 real_cost = 28.147 T0360.try14-opt1.pdb.gz costs 38.276 real_cost = 35.878 T0360.try14-opt1-scwrl.pdb.gz costs 38.276 real_cost = 32.524 T0360.try13-opt2.repack-nonPC.pdb.gz costs 41.325 real_cost = 30.349 T0360.try13-opt2.pdb.gz costs 41.325 real_cost = 28.220 T0360.try13-opt2.gromacs0.repack-nonPC.pdb.gz costs 31.204 real_cost = 30.536 T0360.try13-opt2.gromacs0.pdb.gz costs 31.204 real_cost = 29.120 T0360.try13-opt1.pdb.gz costs 40.707 real_cost = 27.578 T0360.try13-opt1-scwrl.pdb.gz costs 40.707 real_cost = 22.805 T0360.try12-opt2.repack-nonPC.pdb.gz costs 38.125 real_cost = -2.720 T0360.try12-opt2.pdb.gz costs 38.125 real_cost = -2.885 T0360.try12-opt2.gromacs0.repack-nonPC.pdb.gz costs 31.577 real_cost = -5.237 T0360.try12-opt2.gromacs0.pdb.gz costs 31.577 real_cost = -4.465 T0360.try12-opt1.pdb.gz costs 38.125 real_cost = -2.710 T0360.try12-opt1-scwrl.pdb.gz costs 38.125 real_cost = -10.078 T0360.try11-opt2.repack-nonPC.pdb.gz costs 38.304 real_cost = 125.170 T0360.try11-opt2.pdb.gz costs 38.304 real_cost = 126.924 T0360.try11-opt2.gromacs0.repack-nonPC.pdb.gz costs 32.252 real_cost = 123.768 T0360.try11-opt2.gromacs0.pdb.gz costs 32.252 real_cost = 128.769 T0360.try11-opt1.pdb.gz costs 37.873 real_cost = 125.868 T0360.try11-opt1-scwrl.pdb.gz costs 37.873 real_cost = 127.141 T0360.try10-opt2.repack-nonPC.pdb.gz costs 40.308 real_cost = -8.380 T0360.try10-opt2.pdb.gz costs 40.308 real_cost = -3.147 T0360.try10-opt2.gromacs0.repack-nonPC.pdb.gz costs 31.454 real_cost = -4.911 T0360.try10-opt2.gromacs0.pdb.gz costs 31.454 real_cost = -6.232 T0360.try10-opt1.pdb.gz costs 43.519 real_cost = -3.168 T0360.try10-opt1-scwrl.pdb.gz costs 43.519 real_cost = -12.271 T0360.try1-opt2.repack-nonPC.pdb.gz costs 39.519 real_cost = 30.409 T0360.try1-opt2.pdb.gz costs 39.519 real_cost = 27.162 T0360.try1-opt2.gromacs0.repack-nonPC.pdb.gz costs 30.274 real_cost = 32.394 T0360.try1-opt2.gromacs0.pdb.gz costs 30.274 real_cost = 27.036 T0360.try1-opt1.pdb.gz costs 30.941 real_cost = 31.225 T0360.try1-opt1-scwrl.pdb.gz costs 30.941 real_cost = 29.085 ../model5.ts-submitted costs 28.500 real_cost = 18.147 ../model4.ts-submitted costs 38.234 real_cost = -2.419 ../model3.ts-submitted costs 38.304 real_cost = 126.922 ../model2.ts-submitted costs 39.125 real_cost = 20.415 ../model1.ts-submitted costs 38.285 real_cost = 30.325 align5 costs 77.944 real_cost = 343.280 align4 costs 86.636 real_cost = 255.996 align3 costs 81.274 real_cost = 268.715 align2 costs 51.419 real_cost = 232.739 align1 costs 39.931 real_cost = 62.158 T0360.try1-opt2.pdb costs 39.519 real_cost = 27.159 model5-scwrl costs 28.500 real_cost = 19.104 model5.ts-submitted costs 28.500 real_cost = 18.147 model4-scwrl costs 38.234 real_cost = -10.739 model4.ts-submitted costs 38.234 real_cost = -2.419 model3-scwrl costs 38.304 real_cost = 127.824 model3.ts-submitted costs 38.304 real_cost = 126.922 model2-scwrl costs 39.125 real_cost = 15.799 model2.ts-submitted costs 39.125 real_cost = 20.415 model1-scwrl costs 38.276 real_cost = 28.431 model1.ts-submitted costs 38.285 real_cost = 30.315 2hxjA costs 42.771 real_cost = -846.845 # command:CPU_time= 504.296 sec, elapsed time= 2519.614 sec. # command:rm -f sort.tmp /projects/compbio/bin/sorttbl real_cost < decoys/evaluate.anglevector.rdb > sort.tmp mv -f sort.tmp decoys/evaluate.anglevector.rdb mv -f decoys/evaluate.anglevector.pretty decoys/evaluate.anglevector.pretty.old /projects/compbio/experiments/protein-predict/casp7/scripts/prettyscore -terse -targpfx -decpoint < decoys/evaluate.anglevector.rdb > decoys/evaluate.anglevector.pretty make[1]: Leaving directory `/projects/compbio/experiments/protein-predict/casp7/T0360'