make[1]: Entering directory `/projects/compbio/experiments/protein-predict/casp7/T0373' /projects/compbio/experiments/protein-predict/casp7/starter-directory/Make.main:725: SECONDARY_TARGET = T0373.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/T0373.} ;\ 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/T0373/ -e s/START_COL/1/ \ -e s/COSTFCN/anglevector/ \ -e s/_domain// \ -e s/read-pdb/read-pdb+servers/ \ -e s/REAL_PDB/2hr3A/ \ < /projects/compbio/experiments/protein-predict/casp7/starter-directory/evaluate.under \ | nice -2 /cse/grads/jarchie/projects/cvs/karplus/undertaker/undertaker # command:# Seed set to 1183530438 # 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= 9.416 sec, elapsed time= 9.523 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= 9.524 sec, elapsed time= 9.664 sec. # command:# Prefix for input files set to # command:# Making conformation for sequence T0373 numbered 1 through 147 Created new target T0373 from T0373.a2m # command:# command:# No conformations to remove in PopConform # command:# cleared Id set # command:# command:2hr3A expands to /projects/compbio/data/pdb/2hr3.pdb.gz 2hr3A: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 139 residues and 1032 atoms. # WARNING: incomplete conformation T0373 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= 13.675 sec, elapsed time= 13.945 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 87 # 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 = -66.906 # GDT_score(maxd=8.000,maxw=2.900)= -66.864 # GDT_score(maxd=8.000,maxw=3.200)= -64.187 # GDT_score(maxd=8.000,maxw=3.500)= -61.507 # GDT_score(maxd=10.000,maxw=3.800)= -64.822 # GDT_score(maxd=10.000,maxw=4.000)= -63.006 # GDT_score(maxd=10.000,maxw=4.200)= -61.207 # GDT_score(maxd=12.000,maxw=4.300)= -64.912 # GDT_score(maxd=12.000,maxw=4.500)= -63.118 # GDT_score(maxd=12.000,maxw=4.700)= -61.303 # GDT_score(maxd=14.000,maxw=5.200)= -60.554 # GDT_score(maxd=14.000,maxw=5.500)= -57.924 # command:# Prefix for output files set to # command:Warning: Couldn't open file T0373.model1-real.pdb for output Error: Couldn't open file T0373.model1-real.pdb for output superimposing iter= 0 total_weight= 1588 rmsd (weighted)= 4.79415 (unweighted)= 19.9238 superimposing iter= 1 total_weight= 3528.02 rmsd (weighted)= 2.34 (unweighted)= 19.971 superimposing iter= 2 total_weight= 2125.68 rmsd (weighted)= 1.51538 (unweighted)= 20.0637 superimposing iter= 3 total_weight= 1695.36 rmsd (weighted)= 1.13247 (unweighted)= 20.1292 superimposing iter= 4 total_weight= 1384.19 rmsd (weighted)= 0.953191 (unweighted)= 20.1661 superimposing iter= 5 total_weight= 1194.05 rmsd (weighted)= 0.870714 (unweighted)= 20.187 EXPDTA model1.ts-submitted MODEL 1 REMARK 44 REMARK 44 model 1 is called model1.ts-submitted ATOM 1 N MET A 1 -1.980 15.960 32.386 1.00 0.00 ATOM 2 CA MET A 1 -1.974 14.612 31.832 1.00 0.00 ATOM 3 CB MET A 1 -1.833 14.695 30.328 1.00 0.00 ATOM 4 CG MET A 1 -3.131 14.688 29.571 1.00 0.00 ATOM 5 SD MET A 1 -2.831 13.901 28.011 1.00 0.00 ATOM 6 CE MET A 1 -4.016 12.545 28.205 1.00 0.00 ATOM 7 O MET A 1 0.387 14.483 32.148 1.00 0.00 ATOM 8 C MET A 1 -0.704 13.880 32.230 1.00 0.00 ATOM 9 N PRO A 2 -0.813 12.628 32.579 1.00 0.00 ATOM 10 CA PRO A 2 0.392 11.856 32.873 1.00 0.00 ATOM 11 CB PRO A 2 -0.143 10.443 33.162 1.00 0.00 ATOM 12 CG PRO A 2 -1.513 10.668 33.623 1.00 0.00 ATOM 13 CD PRO A 2 -2.032 11.829 32.837 1.00 0.00 ATOM 14 O PRO A 2 2.597 11.922 31.961 1.00 0.00 ATOM 15 C PRO A 2 1.392 11.829 31.727 1.00 0.00 ATOM 16 N THR A 3 0.873 11.960 30.504 1.00 0.00 ATOM 17 CA THR A 3 1.720 11.973 29.319 1.00 0.00 ATOM 18 CB THR A 3 0.895 11.771 28.033 1.00 0.00 ATOM 19 CG2 THR A 3 1.794 11.828 26.810 1.00 0.00 ATOM 20 OG1 THR A 3 0.247 10.494 28.075 1.00 0.00 ATOM 21 O THR A 3 3.674 13.284 28.781 1.00 0.00 ATOM 22 C THR A 3 2.488 13.292 29.139 1.00 0.00 ATOM 23 N ASN A 4 1.830 14.417 29.388 1.00 0.00 ATOM 24 CA ASN A 4 2.551 15.691 29.421 1.00 0.00 ATOM 25 CB ASN A 4 1.587 16.874 29.593 1.00 0.00 ATOM 26 CG ASN A 4 0.901 17.258 28.295 1.00 0.00 ATOM 27 ND2 ASN A 4 -0.390 17.541 28.368 1.00 0.00 ATOM 28 OD1 ASN A 4 1.536 17.308 27.239 1.00 0.00 ATOM 29 O ASN A 4 4.716 16.174 30.377 1.00 0.00 ATOM 30 C ASN A 4 3.582 15.712 30.551 1.00 0.00 ATOM 31 N GLN A 5 3.185 15.189 31.701 1.00 0.00 ATOM 32 CA GLN A 5 4.068 15.121 32.858 1.00 0.00 ATOM 33 CB GLN A 5 3.338 14.553 34.075 1.00 0.00 ATOM 34 CG GLN A 5 4.176 14.552 35.341 1.00 0.00 ATOM 35 CD GLN A 5 3.416 14.027 36.548 1.00 0.00 ATOM 36 OE1 GLN A 5 3.161 12.825 36.666 1.00 0.00 ATOM 37 NE2 GLN A 5 3.045 14.933 37.451 1.00 0.00 ATOM 38 O GLN A 5 6.413 14.587 32.843 1.00 0.00 ATOM 39 C GLN A 5 5.270 14.241 32.533 1.00 0.00 ATOM 40 N ASP A 6 5.013 13.099 31.903 1.00 0.00 ATOM 41 CA ASP A 6 6.091 12.190 31.547 1.00 0.00 ATOM 42 CB ASP A 6 5.527 10.836 31.108 1.00 0.00 ATOM 43 CG ASP A 6 4.836 10.102 32.249 1.00 0.00 ATOM 44 OD1 ASP A 6 5.205 10.341 33.422 1.00 0.00 ATOM 45 OD2 ASP A 6 3.940 9.277 31.980 1.00 0.00 ATOM 46 O ASP A 6 8.213 12.545 30.484 1.00 0.00 ATOM 47 C ASP A 6 7.003 12.784 30.472 1.00 0.00 ATOM 48 N LEU A 7 6.433 13.554 29.550 1.00 0.00 ATOM 49 CA LEU A 7 7.230 14.200 28.505 1.00 0.00 ATOM 50 CB LEU A 7 6.322 14.823 27.444 1.00 0.00 ATOM 51 CG LEU A 7 5.540 13.845 26.562 1.00 0.00 ATOM 52 CD1 LEU A 7 4.548 14.591 25.682 1.00 0.00 ATOM 53 CD2 LEU A 7 6.483 13.064 25.660 1.00 0.00 ATOM 54 O LEU A 7 9.244 15.469 28.766 1.00 0.00 ATOM 55 C LEU A 7 8.088 15.294 29.131 1.00 0.00 ATOM 56 N GLN A 8 7.536 16.046 30.100 1.00 0.00 ATOM 57 CA GLN A 8 8.290 17.101 30.767 1.00 0.00 ATOM 58 CB GLN A 8 7.407 17.836 31.776 1.00 0.00 ATOM 59 CG GLN A 8 6.335 18.707 31.144 1.00 0.00 ATOM 60 CD GLN A 8 5.398 19.316 32.169 1.00 0.00 ATOM 61 OE1 GLN A 8 5.495 19.025 33.362 1.00 0.00 ATOM 62 NE2 GLN A 8 4.486 20.162 31.706 1.00 0.00 ATOM 63 O GLN A 8 10.611 16.994 31.379 1.00 0.00 ATOM 64 C GLN A 8 9.486 16.506 31.502 1.00 0.00 ATOM 65 N LEU A 9 9.234 15.426 32.249 1.00 0.00 ATOM 66 CA LEU A 9 10.281 14.754 33.007 1.00 0.00 ATOM 67 CB LEU A 9 9.689 13.624 33.852 1.00 0.00 ATOM 68 CG LEU A 9 10.679 12.821 34.700 1.00 0.00 ATOM 69 CD1 LEU A 9 11.367 13.719 35.717 1.00 0.00 ATOM 70 CD2 LEU A 9 9.964 11.710 35.453 1.00 0.00 ATOM 71 O LEU A 9 12.526 14.279 32.423 1.00 0.00 ATOM 72 C LEU A 9 11.344 14.147 32.131 1.00 0.00 ATOM 73 N ALA A 10 10.922 13.450 31.084 1.00 0.00 ATOM 74 CA ALA A 10 11.839 12.810 30.165 1.00 0.00 ATOM 75 CB ALA A 10 11.075 12.156 29.023 1.00 0.00 ATOM 76 O ALA A 10 13.988 13.689 29.585 1.00 0.00 ATOM 77 C ALA A 10 12.775 13.872 29.613 1.00 0.00 ATOM 78 N ALA A 11 12.219 14.998 29.185 1.00 0.00 ATOM 79 CA ALA A 11 13.045 16.037 28.629 1.00 0.00 ATOM 80 CB ALA A 11 12.185 17.192 28.138 1.00 0.00 ATOM 81 O ALA A 11 15.196 16.787 29.400 1.00 0.00 ATOM 82 C ALA A 11 14.017 16.567 29.682 1.00 0.00 ATOM 83 N HIS A 12 13.530 16.774 30.902 1.00 0.00 ATOM 84 CA HIS A 12 14.368 17.262 31.991 1.00 0.00 ATOM 85 CB HIS A 12 13.558 17.429 33.276 1.00 0.00 ATOM 86 CG HIS A 12 14.379 17.839 34.460 1.00 0.00 ATOM 87 CD2 HIS A 12 14.874 17.180 35.660 1.00 0.00 ATOM 88 ND1 HIS A 12 14.872 19.117 34.618 1.00 0.00 ATOM 89 CE1 HIS A 12 15.566 19.180 35.769 1.00 0.00 ATOM 90 NE2 HIS A 12 15.571 18.020 36.399 1.00 0.00 ATOM 91 O HIS A 12 16.657 16.629 32.312 1.00 0.00 ATOM 92 C HIS A 12 15.490 16.266 32.289 1.00 0.00 ATOM 93 N LEU A 13 15.146 15.002 32.451 1.00 0.00 ATOM 94 CA LEU A 13 16.125 13.943 32.709 1.00 0.00 ATOM 95 CB LEU A 13 15.445 12.589 32.920 1.00 0.00 ATOM 96 CG LEU A 13 14.616 12.438 34.198 1.00 0.00 ATOM 97 CD1 LEU A 13 13.855 11.122 34.192 1.00 0.00 ATOM 98 CD2 LEU A 13 15.512 12.464 35.426 1.00 0.00 ATOM 99 O LEU A 13 18.305 13.637 31.814 1.00 0.00 ATOM 100 C LEU A 13 17.119 13.782 31.572 1.00 0.00 ATOM 101 N ARG A 14 16.660 13.905 30.332 1.00 0.00 ATOM 102 CA ARG A 14 17.524 13.708 29.165 1.00 0.00 ATOM 103 CB ARG A 14 16.703 13.622 27.909 1.00 0.00 ATOM 104 CG ARG A 14 17.497 13.367 26.641 1.00 0.00 ATOM 105 CD ARG A 14 16.562 13.209 25.475 1.00 0.00 ATOM 106 NE ARG A 14 15.987 11.869 25.442 1.00 0.00 ATOM 107 CZ ARG A 14 14.696 11.586 25.560 1.00 0.00 ATOM 108 NH1 ARG A 14 13.801 12.559 25.711 1.00 0.00 ATOM 109 NH2 ARG A 14 14.302 10.322 25.552 1.00 0.00 ATOM 110 O ARG A 14 19.736 14.584 28.847 1.00 0.00 ATOM 111 C ARG A 14 18.559 14.832 29.108 1.00 0.00 ATOM 112 N SER A 15 18.120 16.039 29.362 1.00 0.00 ATOM 113 CA SER A 15 19.030 17.181 29.335 1.00 0.00 ATOM 114 CB SER A 15 18.284 18.509 29.482 1.00 0.00 ATOM 115 OG SER A 15 17.447 18.749 28.364 1.00 0.00 ATOM 116 O SER A 15 21.187 17.379 30.319 1.00 0.00 ATOM 117 C SER A 15 20.032 17.048 30.479 1.00 0.00 ATOM 118 N GLN A 16 19.589 16.583 31.642 1.00 0.00 ATOM 119 CA GLN A 16 20.500 16.452 32.782 1.00 0.00 ATOM 120 CB GLN A 16 19.731 16.038 34.037 1.00 0.00 ATOM 121 CG GLN A 16 20.578 15.997 35.299 1.00 0.00 ATOM 122 CD GLN A 16 21.143 17.355 35.665 1.00 0.00 ATOM 123 OE1 GLN A 16 20.433 18.361 35.642 1.00 0.00 ATOM 124 NE2 GLN A 16 22.425 17.389 36.008 1.00 0.00 ATOM 125 O GLN A 16 22.735 15.609 32.721 1.00 0.00 ATOM 126 C GLN A 16 21.552 15.394 32.478 1.00 0.00 ATOM 127 N VAL A 17 21.078 14.291 31.890 1.00 0.00 ATOM 128 CA VAL A 17 21.974 13.184 31.572 1.00 0.00 ATOM 129 CB VAL A 17 21.204 11.986 30.985 1.00 0.00 ATOM 130 CG1 VAL A 17 22.171 10.928 30.480 1.00 0.00 ATOM 131 CG2 VAL A 17 20.312 11.355 32.045 1.00 0.00 ATOM 132 O VAL A 17 24.176 13.208 30.630 1.00 0.00 ATOM 133 C VAL A 17 23.018 13.617 30.550 1.00 0.00 ATOM 134 N THR A 18 22.616 14.453 29.594 1.00 0.00 ATOM 135 CA THR A 18 23.555 14.909 28.575 1.00 0.00 ATOM 136 CB THR A 18 22.839 15.701 27.464 1.00 0.00 ATOM 137 CG2 THR A 18 23.843 16.197 26.434 1.00 0.00 ATOM 138 OG1 THR A 18 21.884 14.856 26.811 1.00 0.00 ATOM 139 O THR A 18 25.796 15.722 28.879 1.00 0.00 ATOM 140 C THR A 18 24.611 15.817 29.200 1.00 0.00 ATOM 141 N THR A 19 24.177 16.697 30.098 1.00 0.00 ATOM 142 CA THR A 19 25.099 17.605 30.765 1.00 0.00 ATOM 143 CB THR A 19 24.354 18.580 31.697 1.00 0.00 ATOM 144 CG2 THR A 19 25.342 19.491 32.411 1.00 0.00 ATOM 145 OG1 THR A 19 23.454 19.387 30.927 1.00 0.00 ATOM 146 O THR A 19 27.288 17.112 31.628 1.00 0.00 ATOM 147 C THR A 19 26.091 16.809 31.603 1.00 0.00 ATOM 148 N LEU A 20 25.596 15.783 32.289 1.00 0.00 ATOM 149 CA LEU A 20 26.461 14.968 33.126 1.00 0.00 ATOM 150 CB LEU A 20 25.631 14.010 33.983 1.00 0.00 ATOM 151 CG LEU A 20 24.769 14.650 35.073 1.00 0.00 ATOM 152 CD1 LEU A 20 23.886 13.609 35.742 1.00 0.00 ATOM 153 CD2 LEU A 20 25.643 15.291 36.142 1.00 0.00 ATOM 154 O LEU A 20 28.553 13.886 32.680 1.00 0.00 ATOM 155 C LEU A 20 27.419 14.137 32.274 1.00 0.00 ATOM 156 N THR A 21 26.970 13.719 31.093 1.00 0.00 ATOM 157 CA THR A 21 27.818 12.936 30.200 1.00 0.00 ATOM 158 CB THR A 21 27.069 12.538 28.915 1.00 0.00 ATOM 159 CG2 THR A 21 27.984 11.758 27.984 1.00 0.00 ATOM 160 OG1 THR A 21 25.940 11.721 29.249 1.00 0.00 ATOM 161 O THR A 21 30.162 13.258 29.776 1.00 0.00 ATOM 162 C THR A 21 29.040 13.767 29.815 1.00 0.00 ATOM 163 N ARG A 22 28.816 15.046 29.539 1.00 0.00 ATOM 164 CA ARG A 22 29.906 15.938 29.156 1.00 0.00 ATOM 165 CB ARG A 22 29.349 17.473 29.405 1.00 0.00 ATOM 166 CG ARG A 22 29.730 18.601 28.460 1.00 0.00 ATOM 167 CD ARG A 22 29.369 19.957 29.045 1.00 0.00 ATOM 168 NE ARG A 22 27.936 20.102 29.292 1.00 0.00 ATOM 169 CZ ARG A 22 27.023 20.270 28.342 1.00 0.00 ATOM 170 NH1 ARG A 22 27.387 20.314 27.067 1.00 0.00 ATOM 171 NH2 ARG A 22 25.746 20.402 28.666 1.00 0.00 ATOM 172 O ARG A 22 32.090 16.143 30.121 1.00 0.00 ATOM 173 C ARG A 22 30.874 16.133 30.317 1.00 0.00 ATOM 174 N ARG A 23 30.343 16.302 31.522 1.00 0.00 ATOM 175 CA ARG A 23 31.187 16.499 32.693 1.00 0.00 ATOM 176 CB ARG A 23 30.330 16.767 33.932 1.00 0.00 ATOM 177 CG ARG A 23 29.644 18.123 33.931 1.00 0.00 ATOM 178 CD ARG A 23 28.755 18.293 35.152 1.00 0.00 ATOM 179 NE ARG A 23 28.065 19.581 35.151 1.00 0.00 ATOM 180 CZ ARG A 23 27.173 19.951 36.066 1.00 0.00 ATOM 181 NH1 ARG A 23 26.597 21.143 35.984 1.00 0.00 ATOM 182 NH2 ARG A 23 26.860 19.129 37.058 1.00 0.00 ATOM 183 O ARG A 23 33.231 15.340 33.215 1.00 0.00 ATOM 184 C ARG A 23 32.035 15.252 32.919 1.00 0.00 ATOM 185 N LEU A 24 31.412 14.087 32.775 1.00 0.00 ATOM 186 CA LEU A 24 32.112 12.820 32.949 1.00 0.00 ATOM 187 CB LEU A 24 31.157 11.654 32.877 1.00 0.00 ATOM 188 CG LEU A 24 30.436 11.220 34.153 1.00 0.00 ATOM 189 CD1 LEU A 24 29.337 10.181 33.866 1.00 0.00 ATOM 190 CD2 LEU A 24 31.485 10.645 35.108 1.00 0.00 ATOM 191 O LEU A 24 34.312 12.188 32.234 1.00 0.00 ATOM 192 C LEU A 24 33.211 12.635 31.911 1.00 0.00 ATOM 193 N ARG A 25 32.906 12.983 30.663 1.00 0.00 ATOM 194 CA ARG A 25 33.868 12.855 29.575 1.00 0.00 ATOM 195 CB ARG A 25 33.256 13.340 28.259 1.00 0.00 ATOM 196 CG ARG A 25 34.171 13.185 27.055 1.00 0.00 ATOM 197 CD ARG A 25 33.539 13.769 25.803 1.00 0.00 ATOM 198 NE ARG A 25 33.380 15.218 25.894 1.00 0.00 ATOM 199 CZ ARG A 25 34.368 16.092 25.721 1.00 0.00 ATOM 200 NH1 ARG A 25 34.129 17.391 25.825 1.00 0.00 ATOM 201 NH2 ARG A 25 35.592 15.662 25.445 1.00 0.00 ATOM 202 O ARG A 25 36.241 13.176 29.745 1.00 0.00 ATOM 203 C ARG A 25 35.120 13.681 29.840 1.00 0.00 ATOM 204 N ARG A 26 34.929 14.947 30.176 1.00 0.00 ATOM 205 CA ARG A 26 36.068 15.833 30.411 1.00 0.00 ATOM 206 CB ARG A 26 35.600 17.284 30.545 1.00 0.00 ATOM 207 CG ARG A 26 35.122 17.906 29.243 1.00 0.00 ATOM 208 CD ARG A 26 34.599 19.316 29.464 1.00 0.00 ATOM 209 NE ARG A 26 34.133 19.927 28.222 1.00 0.00 ATOM 210 CZ ARG A 26 33.556 21.123 28.149 1.00 0.00 ATOM 211 NH1 ARG A 26 33.162 21.597 26.975 1.00 0.00 ATOM 212 NH2 ARG A 26 33.376 21.841 29.249 1.00 0.00 ATOM 213 O ARG A 26 38.022 15.478 31.766 1.00 0.00 ATOM 214 C ARG A 26 36.797 15.434 31.704 1.00 0.00 ATOM 215 N GLU A 27 36.033 15.038 32.716 1.00 0.00 ATOM 216 CA GLU A 27 36.578 14.593 34.003 1.00 0.00 ATOM 217 CB GLU A 27 35.450 14.357 35.010 1.00 0.00 ATOM 218 CG GLU A 27 35.927 13.934 36.389 1.00 0.00 ATOM 219 CD GLU A 27 36.709 15.025 37.095 1.00 0.00 ATOM 220 OE1 GLU A 27 36.707 16.172 36.601 1.00 0.00 ATOM 221 OE2 GLU A 27 37.323 14.733 38.142 1.00 0.00 ATOM 222 O GLU A 27 38.374 13.079 34.489 1.00 0.00 ATOM 223 C GLU A 27 37.352 13.288 33.835 1.00 0.00 ATOM 224 N ALA A 28 36.875 12.405 32.957 1.00 0.00 ATOM 225 CA ALA A 28 37.548 11.133 32.722 1.00 0.00 ATOM 226 CB ALA A 28 36.609 10.222 31.936 1.00 0.00 ATOM 227 O ALA A 28 39.874 10.680 32.287 1.00 0.00 ATOM 228 C ALA A 28 38.867 11.313 31.969 1.00 0.00 ATOM 229 N GLN A 29 38.845 12.175 30.944 1.00 0.00 ATOM 230 CA GLN A 29 40.028 12.434 30.137 1.00 0.00 ATOM 231 CB GLN A 29 39.724 13.473 29.058 1.00 0.00 ATOM 232 CG GLN A 29 38.812 12.968 27.949 1.00 0.00 ATOM 233 CD GLN A 29 38.439 14.054 26.960 1.00 0.00 ATOM 234 OE1 GLN A 29 38.790 15.221 27.143 1.00 0.00 ATOM 235 NE2 GLN A 29 37.728 13.673 25.905 1.00 0.00 ATOM 236 O GLN A 29 42.327 12.596 30.743 1.00 0.00 ATOM 237 C GLN A 29 41.186 12.966 30.979 1.00 0.00 ATOM 238 N ALA A 30 40.874 13.814 31.956 1.00 0.00 ATOM 239 CA ALA A 30 41.861 14.371 32.892 1.00 0.00 ATOM 240 CB ALA A 30 41.224 15.450 33.755 1.00 0.00 ATOM 241 O ALA A 30 43.597 13.366 34.195 1.00 0.00 ATOM 242 C ALA A 30 42.431 13.303 33.830 1.00 0.00 ATOM 243 N ASP A 31 41.611 12.334 34.236 1.00 0.00 ATOM 244 CA ASP A 31 42.115 11.205 35.018 1.00 0.00 ATOM 245 CB ASP A 31 41.078 10.766 36.054 1.00 0.00 ATOM 246 CG ASP A 31 41.628 9.754 37.038 1.00 0.00 ATOM 247 OD1 ASP A 31 42.173 8.724 36.590 1.00 0.00 ATOM 248 OD2 ASP A 31 41.518 9.992 38.259 1.00 0.00 ATOM 249 O ASP A 31 41.193 10.644 32.865 1.00 0.00 ATOM 250 C ASP A 31 42.171 10.565 33.615 1.00 0.00 ATOM 251 N PRO A 32 43.271 10.046 33.214 1.00 0.00 ATOM 252 CA PRO A 32 43.474 9.496 31.868 1.00 0.00 ATOM 253 CB PRO A 32 45.003 9.434 31.772 1.00 0.00 ATOM 254 CG PRO A 32 45.443 9.155 33.192 1.00 0.00 ATOM 255 CD PRO A 32 44.443 9.824 34.091 1.00 0.00 ATOM 256 O PRO A 32 43.677 7.119 31.443 1.00 0.00 ATOM 257 C PRO A 32 42.903 8.083 31.649 1.00 0.00 ATOM 258 N VAL A 33 41.574 7.971 31.767 1.00 0.00 ATOM 259 CA VAL A 33 40.843 6.737 31.544 1.00 0.00 ATOM 260 CB VAL A 33 40.277 6.161 32.856 1.00 0.00 ATOM 261 CG1 VAL A 33 41.405 5.803 33.811 1.00 0.00 ATOM 262 CG2 VAL A 33 39.374 7.178 33.538 1.00 0.00 ATOM 263 O VAL A 33 39.228 8.116 30.420 1.00 0.00 ATOM 264 C VAL A 33 39.735 6.997 30.533 1.00 0.00 ATOM 265 N GLN A 34 39.352 5.957 29.783 1.00 0.00 ATOM 266 CA GLN A 34 38.273 6.052 28.814 1.00 0.00 ATOM 267 CB GLN A 34 38.628 5.367 27.493 1.00 0.00 ATOM 268 CG GLN A 34 39.837 5.960 26.789 1.00 0.00 ATOM 269 CD GLN A 34 39.635 7.415 26.411 1.00 0.00 ATOM 270 OE1 GLN A 34 38.655 7.766 25.755 1.00 0.00 ATOM 271 NE2 GLN A 34 40.566 8.268 26.827 1.00 0.00 ATOM 272 O GLN A 34 37.242 4.654 30.463 1.00 0.00 ATOM 273 C GLN A 34 37.084 5.333 29.449 1.00 0.00 ATOM 274 N PHE A 35 35.901 5.485 28.849 1.00 0.00 ATOM 275 CA PHE A 35 34.751 4.715 29.292 1.00 0.00 ATOM 276 CB PHE A 35 33.551 4.970 28.377 1.00 0.00 ATOM 277 CG PHE A 35 32.303 4.247 28.798 1.00 0.00 ATOM 278 CD1 PHE A 35 31.533 4.720 29.847 1.00 0.00 ATOM 279 CD2 PHE A 35 31.900 3.094 28.148 1.00 0.00 ATOM 280 CE1 PHE A 35 30.385 4.056 30.235 1.00 0.00 ATOM 281 CE2 PHE A 35 30.752 2.430 28.535 1.00 0.00 ATOM 282 CZ PHE A 35 29.995 2.906 29.574 1.00 0.00 ATOM 283 O PHE A 35 34.564 2.450 30.137 1.00 0.00 ATOM 284 C PHE A 35 35.077 3.213 29.285 1.00 0.00 ATOM 285 N SER A 36 35.953 2.806 28.364 1.00 0.00 ATOM 286 CA SER A 36 36.344 1.395 28.309 1.00 0.00 ATOM 287 CB SER A 36 37.305 1.189 27.137 1.00 0.00 ATOM 288 OG SER A 36 36.652 1.400 25.899 1.00 0.00 ATOM 289 O SER A 36 36.766 -0.056 30.171 1.00 0.00 ATOM 290 C SER A 36 37.038 1.008 29.610 1.00 0.00 ATOM 291 N GLN A 37 37.928 1.873 30.077 1.00 0.00 ATOM 292 CA GLN A 37 38.650 1.620 31.325 1.00 0.00 ATOM 293 CB GLN A 37 39.525 2.833 31.650 1.00 0.00 ATOM 294 CG GLN A 37 40.696 3.026 30.700 1.00 0.00 ATOM 295 CD GLN A 37 41.665 1.860 30.725 1.00 0.00 ATOM 296 OE1 GLN A 37 42.055 1.387 31.793 1.00 0.00 ATOM 297 NE2 GLN A 37 42.058 1.393 29.545 1.00 0.00 ATOM 298 O GLN A 37 37.775 0.436 33.239 1.00 0.00 ATOM 299 C GLN A 37 37.663 1.408 32.487 1.00 0.00 ATOM 300 N LEU A 38 36.660 2.270 32.573 1.00 0.00 ATOM 301 CA LEU A 38 35.657 2.187 33.635 1.00 0.00 ATOM 302 CB LEU A 38 34.752 3.477 33.544 1.00 0.00 ATOM 303 CG LEU A 38 33.945 3.916 34.781 1.00 0.00 ATOM 304 CD1 LEU A 38 33.404 5.328 34.554 1.00 0.00 ATOM 305 CD2 LEU A 38 32.794 2.951 35.048 1.00 0.00 ATOM 306 O LEU A 38 34.602 0.250 34.611 1.00 0.00 ATOM 307 C LEU A 38 34.857 0.875 33.576 1.00 0.00 ATOM 308 N VAL A 39 34.466 0.472 32.366 1.00 0.00 ATOM 309 CA VAL A 39 33.659 -0.732 32.162 1.00 0.00 ATOM 310 CB VAL A 39 33.232 -0.884 30.690 1.00 0.00 ATOM 311 CG1 VAL A 39 32.577 -2.237 30.464 1.00 0.00 ATOM 312 CG2 VAL A 39 32.239 0.202 30.308 1.00 0.00 ATOM 313 O VAL A 39 33.925 -2.871 33.196 1.00 0.00 ATOM 314 C VAL A 39 34.456 -1.972 32.553 1.00 0.00 ATOM 315 N VAL A 40 35.732 -2.010 32.174 1.00 0.00 ATOM 316 CA VAL A 40 36.620 -3.114 32.540 1.00 0.00 ATOM 317 CB VAL A 40 38.049 -2.892 32.007 1.00 0.00 ATOM 318 CG1 VAL A 40 38.994 -3.942 32.564 1.00 0.00 ATOM 319 CG2 VAL A 40 38.070 -2.980 30.489 1.00 0.00 ATOM 320 O VAL A 40 36.500 -4.347 34.613 1.00 0.00 ATOM 321 C VAL A 40 36.721 -3.259 34.075 1.00 0.00 ATOM 322 N LEU A 41 37.003 -2.174 34.758 1.00 0.00 ATOM 323 CA LEU A 41 37.109 -2.209 36.220 1.00 0.00 ATOM 324 CB LEU A 41 37.534 -0.837 36.746 1.00 0.00 ATOM 325 CG LEU A 41 38.967 -0.403 36.430 1.00 0.00 ATOM 326 CD1 LEU A 41 39.196 1.040 36.851 1.00 0.00 ATOM 327 CD2 LEU A 41 39.968 -1.278 37.168 1.00 0.00 ATOM 328 O LEU A 41 35.737 -3.285 37.873 1.00 0.00 ATOM 329 C LEU A 41 35.775 -2.565 36.878 1.00 0.00 ATOM 330 N GLY A 42 34.652 -2.059 36.316 1.00 0.00 ATOM 331 CA GLY A 42 33.343 -2.349 36.876 1.00 0.00 ATOM 332 O GLY A 42 32.501 -4.428 37.711 1.00 0.00 ATOM 333 C GLY A 42 33.002 -3.836 36.760 1.00 0.00 ATOM 334 N ALA A 43 33.268 -4.430 35.601 1.00 0.00 ATOM 335 CA ALA A 43 32.984 -5.853 35.383 1.00 0.00 ATOM 336 CB ALA A 43 33.310 -6.248 33.952 1.00 0.00 ATOM 337 O ALA A 43 33.273 -7.626 36.986 1.00 0.00 ATOM 338 C ALA A 43 33.780 -6.664 36.404 1.00 0.00 ATOM 339 N ILE A 44 35.043 -6.269 36.638 1.00 0.00 ATOM 340 CA ILE A 44 35.878 -6.973 37.600 1.00 0.00 ATOM 341 CB ILE A 44 37.312 -6.407 37.606 1.00 0.00 ATOM 342 CG1 ILE A 44 38.013 -6.721 36.283 1.00 0.00 ATOM 343 CG2 ILE A 44 38.121 -7.020 38.738 1.00 0.00 ATOM 344 CD1 ILE A 44 39.320 -5.981 36.094 1.00 0.00 ATOM 345 O ILE A 44 35.267 -7.816 39.752 1.00 0.00 ATOM 346 C ILE A 44 35.323 -6.832 39.010 1.00 0.00 ATOM 347 N ASP A 45 34.921 -5.619 39.386 1.00 0.00 ATOM 348 CA ASP A 45 34.350 -5.396 40.717 1.00 0.00 ATOM 349 CB ASP A 45 33.989 -3.920 40.905 1.00 0.00 ATOM 350 CG ASP A 45 33.457 -3.624 42.293 1.00 0.00 ATOM 351 OD1 ASP A 45 34.203 -3.834 43.273 1.00 0.00 ATOM 352 OD2 ASP A 45 32.295 -3.180 42.401 1.00 0.00 ATOM 353 O ASP A 45 32.942 -6.917 41.929 1.00 0.00 ATOM 354 C ASP A 45 33.078 -6.226 40.920 1.00 0.00 ATOM 355 N ARG A 46 32.163 -6.165 39.957 1.00 0.00 ATOM 356 CA ARG A 46 30.948 -6.993 39.977 1.00 0.00 ATOM 357 CB ARG A 46 30.529 -7.049 38.326 1.00 0.00 ATOM 358 CG ARG A 46 29.184 -6.614 37.758 1.00 0.00 ATOM 359 CD ARG A 46 29.123 -6.921 36.249 1.00 0.00 ATOM 360 NE ARG A 46 29.099 -8.375 36.037 1.00 0.00 ATOM 361 CZ ARG A 46 29.350 -8.965 34.881 1.00 0.00 ATOM 362 NH1 ARG A 46 29.643 -8.191 33.834 1.00 0.00 ATOM 363 NH2 ARG A 46 29.318 -10.271 34.714 1.00 0.00 ATOM 364 O ARG A 46 30.492 -9.210 40.759 1.00 0.00 ATOM 365 C ARG A 46 31.262 -8.483 40.144 1.00 0.00 ATOM 366 N LEU A 47 32.389 -8.932 39.596 1.00 0.00 ATOM 367 CA LEU A 47 32.804 -10.338 39.709 1.00 0.00 ATOM 368 CB LEU A 47 33.512 -10.794 38.431 1.00 0.00 ATOM 369 CG LEU A 47 32.699 -10.707 37.138 1.00 0.00 ATOM 370 CD1 LEU A 47 33.543 -11.125 35.943 1.00 0.00 ATOM 371 CD2 LEU A 47 31.482 -11.618 37.205 1.00 0.00 ATOM 372 O LEU A 47 34.597 -11.534 40.773 1.00 0.00 ATOM 373 C LEU A 47 33.773 -10.625 40.862 1.00 0.00 ATOM 374 N GLY A 48 33.714 -9.859 41.807 1.00 0.00 ATOM 375 CA GLY A 48 34.562 -10.090 42.982 1.00 0.00 ATOM 376 O GLY A 48 36.876 -10.104 43.584 1.00 0.00 ATOM 377 C GLY A 48 36.009 -9.666 42.824 1.00 0.00 ATOM 378 N GLY A 49 36.298 -8.741 41.862 1.00 0.00 ATOM 379 CA GLY A 49 37.654 -8.270 41.645 1.00 0.00 ATOM 380 O GLY A 49 39.732 -8.996 40.779 1.00 0.00 ATOM 381 C GLY A 49 38.540 -9.245 40.897 1.00 0.00 ATOM 382 N ASP A 50 37.970 -10.390 40.446 1.00 0.00 ATOM 383 CA ASP A 50 38.740 -11.403 39.722 1.00 0.00 ATOM 384 CB ASP A 50 39.051 -12.599 40.624 1.00 0.00 ATOM 385 CG ASP A 50 39.988 -12.245 41.761 1.00 0.00 ATOM 386 OD1 ASP A 50 41.138 -11.841 41.481 1.00 0.00 ATOM 387 OD2 ASP A 50 39.574 -12.367 42.932 1.00 0.00 ATOM 388 O ASP A 50 36.835 -12.328 38.623 1.00 0.00 ATOM 389 C ASP A 50 37.985 -11.924 38.511 1.00 0.00 ATOM 390 N VAL A 51 38.624 -12.017 37.345 1.00 0.00 ATOM 391 CA VAL A 51 37.935 -12.516 36.167 1.00 0.00 ATOM 392 CB VAL A 51 37.107 -11.411 35.486 1.00 0.00 ATOM 393 CG1 VAL A 51 38.013 -10.289 35.004 1.00 0.00 ATOM 394 CG2 VAL A 51 36.355 -11.970 34.288 1.00 0.00 ATOM 395 O VAL A 51 40.133 -12.624 35.190 1.00 0.00 ATOM 396 C VAL A 51 38.991 -13.094 35.220 1.00 0.00 ATOM 397 N THR A 52 38.600 -14.063 34.454 1.00 0.00 ATOM 398 CA THR A 52 39.461 -14.653 33.431 1.00 0.00 ATOM 399 CB THR A 52 38.949 -16.014 32.924 1.00 0.00 ATOM 400 CG2 THR A 52 38.940 -17.035 34.054 1.00 0.00 ATOM 401 OG1 THR A 52 37.615 -15.869 32.420 1.00 0.00 ATOM 402 O THR A 52 38.523 -12.907 31.980 1.00 0.00 ATOM 403 C THR A 52 39.466 -13.692 32.229 1.00 0.00 ATOM 404 N PRO A 53 40.551 -13.725 31.440 1.00 0.00 ATOM 405 CA PRO A 53 40.583 -12.894 30.244 1.00 0.00 ATOM 406 CB PRO A 53 41.916 -13.232 29.574 1.00 0.00 ATOM 407 CG PRO A 53 42.824 -13.623 30.732 1.00 0.00 ATOM 408 CD PRO A 53 41.894 -14.320 31.711 1.00 0.00 ATOM 409 O PRO A 53 38.803 -12.395 28.709 1.00 0.00 ATOM 410 C PRO A 53 39.428 -13.264 29.313 1.00 0.00 ATOM 411 N SER A 54 39.146 -14.569 29.202 1.00 0.00 ATOM 412 CA SER A 54 38.071 -15.060 28.347 1.00 0.00 ATOM 413 CB SER A 54 38.060 -16.590 28.324 1.00 0.00 ATOM 414 OG SER A 54 37.739 -17.117 29.600 1.00 0.00 ATOM 415 O SER A 54 35.793 -14.425 27.936 1.00 0.00 ATOM 416 C SER A 54 36.677 -14.592 28.784 1.00 0.00 ATOM 417 N GLU A 55 36.517 -14.389 30.069 1.00 0.00 ATOM 418 CA GLU A 55 35.290 -13.862 30.663 1.00 0.00 ATOM 419 CB GLU A 55 35.315 -13.945 32.191 1.00 0.00 ATOM 420 CG GLU A 55 34.027 -13.487 32.856 1.00 0.00 ATOM 421 CD GLU A 55 32.859 -14.406 32.558 1.00 0.00 ATOM 422 OE1 GLU A 55 33.089 -15.502 32.006 1.00 0.00 ATOM 423 OE2 GLU A 55 31.711 -14.028 32.878 1.00 0.00 ATOM 424 O GLU A 55 33.948 -12.077 29.776 1.00 0.00 ATOM 425 C GLU A 55 35.043 -12.420 30.230 1.00 0.00 ATOM 426 N LEU A 56 36.062 -11.572 30.377 1.00 0.00 ATOM 427 CA LEU A 56 35.967 -10.174 29.971 1.00 0.00 ATOM 428 CB LEU A 56 37.271 -9.462 30.376 1.00 0.00 ATOM 429 CG LEU A 56 37.292 -7.941 30.499 1.00 0.00 ATOM 430 CD1 LEU A 56 36.120 -7.438 31.344 1.00 0.00 ATOM 431 CD2 LEU A 56 38.613 -7.532 31.125 1.00 0.00 ATOM 432 O LEU A 56 34.865 -9.316 28.042 1.00 0.00 ATOM 433 C LEU A 56 35.707 -10.089 28.476 1.00 0.00 ATOM 434 N ALA A 57 36.415 -10.887 27.710 1.00 0.00 ATOM 435 CA ALA A 57 36.249 -10.892 26.265 1.00 0.00 ATOM 436 CB ALA A 57 37.118 -11.970 25.636 1.00 0.00 ATOM 437 O ALA A 57 34.211 -10.485 25.100 1.00 0.00 ATOM 438 C ALA A 57 34.792 -11.165 25.927 1.00 0.00 ATOM 439 N ALA A 58 34.215 -12.142 26.618 1.00 0.00 ATOM 440 CA ALA A 58 32.829 -12.569 26.426 1.00 0.00 ATOM 441 CB ALA A 58 32.494 -13.718 27.365 1.00 0.00 ATOM 442 O ALA A 58 30.921 -11.184 25.919 1.00 0.00 ATOM 443 C ALA A 58 31.826 -11.447 26.716 1.00 0.00 ATOM 444 N ALA A 59 31.965 -10.798 27.863 1.00 0.00 ATOM 445 CA ALA A 59 31.080 -9.703 28.262 1.00 0.00 ATOM 446 CB ALA A 59 31.367 -9.322 29.726 1.00 0.00 ATOM 447 O ALA A 59 30.220 -7.783 27.099 1.00 0.00 ATOM 448 C ALA A 59 31.194 -8.506 27.311 1.00 0.00 ATOM 449 N GLU A 60 32.382 -8.301 26.752 1.00 0.00 ATOM 450 CA GLU A 60 32.627 -7.180 25.852 1.00 0.00 ATOM 451 CB GLU A 60 34.078 -6.708 25.965 1.00 0.00 ATOM 452 CG GLU A 60 34.432 -6.112 27.318 1.00 0.00 ATOM 453 CD GLU A 60 35.882 -5.677 27.400 1.00 0.00 ATOM 454 OE1 GLU A 60 36.631 -5.920 26.430 1.00 0.00 ATOM 455 OE2 GLU A 60 36.269 -5.091 28.434 1.00 0.00 ATOM 456 O GLU A 60 32.404 -6.658 23.529 1.00 0.00 ATOM 457 C GLU A 60 32.378 -7.538 24.385 1.00 0.00 ATOM 458 N ARG A 61 32.140 -8.821 24.117 1.00 0.00 ATOM 459 CA ARG A 61 31.978 -9.360 22.763 1.00 0.00 ATOM 460 CB ARG A 61 30.663 -8.877 22.148 1.00 0.00 ATOM 461 CG ARG A 61 29.421 -9.370 22.874 1.00 0.00 ATOM 462 CD ARG A 61 28.158 -9.019 22.108 1.00 0.00 ATOM 463 NE ARG A 61 26.952 -9.267 22.895 1.00 0.00 ATOM 464 CZ ARG A 61 25.715 -9.063 22.452 1.00 0.00 ATOM 465 NH1 ARG A 61 24.679 -9.317 23.239 1.00 0.00 ATOM 466 NH2 ARG A 61 25.519 -8.605 21.224 1.00 0.00 ATOM 467 O ARG A 61 32.980 -8.329 20.815 1.00 0.00 ATOM 468 C ARG A 61 33.151 -8.962 21.863 1.00 0.00 ATOM 469 N MET A 62 34.317 -9.279 22.263 1.00 0.00 ATOM 470 CA MET A 62 35.554 -8.971 21.546 1.00 0.00 ATOM 471 CB MET A 62 36.283 -7.724 22.051 1.00 0.00 ATOM 472 CG MET A 62 35.500 -6.433 21.877 1.00 0.00 ATOM 473 SD MET A 62 36.412 -4.984 22.440 1.00 0.00 ATOM 474 CE MET A 62 37.686 -4.876 21.187 1.00 0.00 ATOM 475 O MET A 62 36.226 -11.054 22.521 1.00 0.00 ATOM 476 C MET A 62 36.472 -10.181 21.701 1.00 0.00 ATOM 477 N ARG A 63 37.536 -10.228 20.913 1.00 0.00 ATOM 478 CA ARG A 63 38.449 -11.369 20.918 1.00 0.00 ATOM 479 CB ARG A 63 39.379 -11.318 19.706 1.00 0.00 ATOM 480 CG ARG A 63 38.678 -11.535 18.375 1.00 0.00 ATOM 481 CD ARG A 63 39.651 -11.414 17.212 1.00 0.00 ATOM 482 NE ARG A 63 40.154 -10.052 17.058 1.00 0.00 ATOM 483 CZ ARG A 63 41.132 -9.706 16.227 1.00 0.00 ATOM 484 NH1 ARG A 63 41.523 -8.441 16.155 1.00 0.00 ATOM 485 NH2 ARG A 63 41.715 -10.625 15.471 1.00 0.00 ATOM 486 O ARG A 63 39.622 -10.222 22.667 1.00 0.00 ATOM 487 C ARG A 63 39.322 -11.305 22.162 1.00 0.00 ATOM 488 N SER A 64 39.738 -12.503 22.637 1.00 0.00 ATOM 489 CA SER A 64 40.565 -12.570 23.834 1.00 0.00 ATOM 490 CB SER A 64 41.114 -13.989 23.993 1.00 0.00 ATOM 491 OG SER A 64 40.080 -14.902 24.319 1.00 0.00 ATOM 492 O SER A 64 42.228 -11.056 24.595 1.00 0.00 ATOM 493 C SER A 64 41.787 -11.674 23.623 1.00 0.00 ATOM 494 N SER A 65 42.275 -11.585 22.384 1.00 0.00 ATOM 495 CA SER A 65 43.417 -10.747 22.031 1.00 0.00 ATOM 496 CB SER A 65 43.806 -10.929 20.563 1.00 0.00 ATOM 497 OG SER A 65 44.303 -12.236 20.325 1.00 0.00 ATOM 498 O SER A 65 44.036 -8.520 22.601 1.00 0.00 ATOM 499 C SER A 65 43.146 -9.251 22.230 1.00 0.00 ATOM 500 N ASN A 66 41.932 -8.796 21.961 1.00 0.00 ATOM 501 CA ASN A 66 41.532 -7.416 22.282 1.00 0.00 ATOM 502 CB ASN A 66 40.071 -7.178 21.893 1.00 0.00 ATOM 503 CG ASN A 66 39.877 -7.079 20.393 1.00 0.00 ATOM 504 ND2 ASN A 66 38.643 -7.281 19.943 1.00 0.00 ATOM 505 OD1 ASN A 66 40.824 -6.824 19.649 1.00 0.00 ATOM 506 O ASN A 66 42.168 -6.048 24.163 1.00 0.00 ATOM 507 C ASN A 66 41.669 -7.110 23.778 1.00 0.00 ATOM 508 N LEU A 67 41.235 -8.043 24.620 1.00 0.00 ATOM 509 CA LEU A 67 41.348 -7.848 26.081 1.00 0.00 ATOM 510 CB LEU A 67 40.246 -8.799 26.712 1.00 0.00 ATOM 511 CG LEU A 67 40.199 -8.756 28.214 1.00 0.00 ATOM 512 CD1 LEU A 67 39.771 -7.321 28.608 1.00 0.00 ATOM 513 CD2 LEU A 67 39.202 -9.754 28.750 1.00 0.00 ATOM 514 O LEU A 67 43.195 -7.127 27.445 1.00 0.00 ATOM 515 C LEU A 67 42.806 -7.864 26.542 1.00 0.00 ATOM 516 N ALA A 68 43.604 -8.735 25.943 1.00 0.00 ATOM 517 CA ALA A 68 45.019 -8.868 26.285 1.00 0.00 ATOM 518 CB ALA A 68 45.671 -9.947 25.434 1.00 0.00 ATOM 519 O ALA A 68 46.657 -7.201 26.785 1.00 0.00 ATOM 520 C ALA A 68 45.737 -7.559 26.040 1.00 0.00 ATOM 521 N ALA A 69 45.349 -6.842 24.986 1.00 0.00 ATOM 522 CA ALA A 69 45.929 -5.521 24.739 1.00 0.00 ATOM 523 CB ALA A 69 45.552 -5.027 23.352 1.00 0.00 ATOM 524 O ALA A 69 46.277 -3.639 26.193 1.00 0.00 ATOM 525 C ALA A 69 45.478 -4.482 25.761 1.00 0.00 ATOM 526 N LEU A 70 44.189 -4.493 26.120 1.00 0.00 ATOM 527 CA LEU A 70 43.681 -3.630 27.191 1.00 0.00 ATOM 528 CB LEU A 70 42.190 -3.862 27.440 1.00 0.00 ATOM 529 CG LEU A 70 41.241 -3.425 26.322 1.00 0.00 ATOM 530 CD1 LEU A 70 39.819 -3.884 26.614 1.00 0.00 ATOM 531 CD2 LEU A 70 41.231 -1.910 26.185 1.00 0.00 ATOM 532 O LEU A 70 44.885 -2.978 29.162 1.00 0.00 ATOM 533 C LEU A 70 44.459 -3.895 28.477 1.00 0.00 ATOM 534 N LEU A 71 44.579 -5.175 28.817 1.00 0.00 ATOM 535 CA LEU A 71 45.322 -5.603 29.996 1.00 0.00 ATOM 536 CB LEU A 71 45.265 -7.148 30.142 1.00 0.00 ATOM 537 CG LEU A 71 43.853 -7.734 30.279 1.00 0.00 ATOM 538 CD1 LEU A 71 43.933 -9.227 30.267 1.00 0.00 ATOM 539 CD2 LEU A 71 43.156 -7.269 31.533 1.00 0.00 ATOM 540 O LEU A 71 47.253 -4.633 30.977 1.00 0.00 ATOM 541 C LEU A 71 46.759 -5.098 29.963 1.00 0.00 ATOM 542 N ARG A 72 47.419 -5.148 28.798 1.00 0.00 ATOM 543 CA ARG A 72 48.804 -4.647 28.670 1.00 0.00 ATOM 544 CB ARG A 72 49.284 -4.766 27.222 1.00 0.00 ATOM 545 CG ARG A 72 49.529 -6.195 26.764 1.00 0.00 ATOM 546 CD ARG A 72 49.959 -6.241 25.306 1.00 0.00 ATOM 547 NE ARG A 72 50.151 -7.611 24.837 1.00 0.00 ATOM 548 CZ ARG A 72 50.472 -7.936 23.589 1.00 0.00 ATOM 549 NH1 ARG A 72 50.625 -9.209 23.252 1.00 0.00 ATOM 550 NH2 ARG A 72 50.638 -6.984 22.679 1.00 0.00 ATOM 551 O ARG A 72 49.731 -2.767 29.830 1.00 0.00 ATOM 552 C ARG A 72 48.861 -3.182 29.076 1.00 0.00 ATOM 553 N GLU A 73 47.924 -2.402 28.532 1.00 0.00 ATOM 554 CA GLU A 73 47.892 -0.961 28.827 1.00 0.00 ATOM 555 CB GLU A 73 46.756 -0.297 28.046 1.00 0.00 ATOM 556 CG GLU A 73 46.692 1.213 28.206 1.00 0.00 ATOM 557 CD GLU A 73 45.576 1.837 27.392 1.00 0.00 ATOM 558 OE1 GLU A 73 44.861 1.090 26.692 1.00 0.00 ATOM 559 OE2 GLU A 73 45.416 3.076 27.454 1.00 0.00 ATOM 560 O GLU A 73 48.433 0.032 30.928 1.00 0.00 ATOM 561 C GLU A 73 47.687 -0.699 30.314 1.00 0.00 ATOM 562 N LEU A 74 46.695 -1.351 30.887 1.00 0.00 ATOM 563 CA LEU A 74 46.420 -1.241 32.302 1.00 0.00 ATOM 564 CB LEU A 74 45.119 -2.023 32.691 1.00 0.00 ATOM 565 CG LEU A 74 43.810 -1.456 32.141 1.00 0.00 ATOM 566 CD1 LEU A 74 42.622 -2.398 32.369 1.00 0.00 ATOM 567 CD2 LEU A 74 43.485 -0.090 32.718 1.00 0.00 ATOM 568 O LEU A 74 47.928 -1.065 34.152 1.00 0.00 ATOM 569 C LEU A 74 47.594 -1.733 33.188 1.00 0.00 ATOM 570 N GLU A 75 48.224 -2.861 32.840 1.00 0.00 ATOM 571 CA GLU A 75 49.343 -3.392 33.644 1.00 0.00 ATOM 572 CB GLU A 75 49.772 -4.765 33.123 1.00 0.00 ATOM 573 CG GLU A 75 50.880 -5.420 33.934 1.00 0.00 ATOM 574 CD GLU A 75 51.238 -6.800 33.423 1.00 0.00 ATOM 575 OE1 GLU A 75 50.612 -7.253 32.441 1.00 0.00 ATOM 576 OE2 GLU A 75 52.143 -7.434 34.007 1.00 0.00 ATOM 577 O GLU A 75 51.228 -2.241 34.589 1.00 0.00 ATOM 578 C GLU A 75 50.556 -2.461 33.585 1.00 0.00 ATOM 579 N ARG A 76 50.797 -1.888 32.410 1.00 0.00 ATOM 580 CA ARG A 76 51.875 -0.922 32.214 1.00 0.00 ATOM 581 CB ARG A 76 51.915 -0.452 30.757 1.00 0.00 ATOM 582 CG ARG A 76 52.399 -1.510 29.778 1.00 0.00 ATOM 583 CD ARG A 76 52.333 -1.007 28.346 1.00 0.00 ATOM 584 NE ARG A 76 52.774 -2.020 27.390 1.00 0.00 ATOM 585 CZ ARG A 76 52.712 -1.877 26.069 1.00 0.00 ATOM 586 NH1 ARG A 76 53.137 -2.852 25.278 1.00 0.00 ATOM 587 NH2 ARG A 76 52.227 -0.762 25.544 1.00 0.00 ATOM 588 O ARG A 76 52.628 0.891 33.589 1.00 0.00 ATOM 589 C ARG A 76 51.664 0.278 33.127 1.00 0.00 ATOM 590 N GLY A 77 50.413 0.632 33.428 1.00 0.00 ATOM 591 CA GLY A 77 50.115 1.749 34.303 1.00 0.00 ATOM 592 O GLY A 77 49.634 2.060 36.618 1.00 0.00 ATOM 593 C GLY A 77 49.916 1.259 35.731 1.00 0.00 ATOM 594 N GLY A 78 50.069 -0.060 35.922 1.00 0.00 ATOM 595 CA GLY A 78 50.073 -0.729 37.233 1.00 0.00 ATOM 596 O GLY A 78 48.582 -1.039 39.053 1.00 0.00 ATOM 597 C GLY A 78 48.700 -0.798 37.857 1.00 0.00 ATOM 598 N LEU A 79 47.656 -0.662 37.072 1.00 0.00 ATOM 599 CA LEU A 79 46.296 -0.650 37.615 1.00 0.00 ATOM 600 CB LEU A 79 45.373 0.168 36.709 1.00 0.00 ATOM 601 CG LEU A 79 45.714 1.654 36.558 1.00 0.00 ATOM 602 CD1 LEU A 79 44.775 2.323 35.569 1.00 0.00 ATOM 603 CD2 LEU A 79 45.590 2.372 37.893 1.00 0.00 ATOM 604 O LEU A 79 44.771 -2.136 38.684 1.00 0.00 ATOM 605 C LEU A 79 45.680 -2.014 37.856 1.00 0.00 ATOM 606 N ILE A 80 46.190 -2.962 37.063 1.00 0.00 ATOM 607 CA ILE A 80 45.789 -4.369 37.239 1.00 0.00 ATOM 608 CB ILE A 80 44.954 -4.854 36.037 1.00 0.00 ATOM 609 CG1 ILE A 80 45.769 -4.753 34.746 1.00 0.00 ATOM 610 CG2 ILE A 80 43.702 -4.004 35.883 1.00 0.00 ATOM 611 CD1 ILE A 80 45.102 -5.399 33.553 1.00 0.00 ATOM 612 O ILE A 80 48.125 -4.866 36.996 1.00 0.00 ATOM 613 C ILE A 80 47.017 -5.268 37.354 1.00 0.00 ATOM 614 N VAL A 81 46.786 -6.491 37.815 1.00 0.00 ATOM 615 CA VAL A 81 47.799 -7.541 37.811 1.00 0.00 ATOM 616 CB VAL A 81 48.216 -7.926 39.244 1.00 0.00 ATOM 617 CG1 VAL A 81 48.854 -6.739 39.950 1.00 0.00 ATOM 618 CG2 VAL A 81 47.006 -8.372 40.049 1.00 0.00 ATOM 619 O VAL A 81 46.014 -8.995 37.155 1.00 0.00 ATOM 620 C VAL A 81 47.228 -8.763 37.121 1.00 0.00 ATOM 621 N ARG A 82 48.089 -9.489 36.423 1.00 0.00 ATOM 622 CA ARG A 82 47.745 -10.781 35.893 1.00 0.00 ATOM 623 CB ARG A 82 48.302 -10.946 34.478 1.00 0.00 ATOM 624 CG ARG A 82 47.683 -10.010 33.455 1.00 0.00 ATOM 625 CD ARG A 82 48.251 -10.255 32.066 1.00 0.00 ATOM 626 NE ARG A 82 47.772 -9.274 31.098 1.00 0.00 ATOM 627 CZ ARG A 82 48.105 -9.271 29.810 1.00 0.00 ATOM 628 NH1 ARG A 82 47.620 -8.337 29.003 1.00 0.00 ATOM 629 NH2 ARG A 82 48.920 -10.201 29.334 1.00 0.00 ATOM 630 O ARG A 82 49.555 -11.879 37.068 1.00 0.00 ATOM 631 C ARG A 82 48.367 -11.911 36.710 1.00 0.00 ATOM 632 N HIS A 83 47.577 -12.958 36.963 1.00 0.00 ATOM 633 CA HIS A 83 47.989 -14.112 37.735 1.00 0.00 ATOM 634 CB HIS A 83 47.419 -14.086 39.154 1.00 0.00 ATOM 635 CG HIS A 83 47.876 -12.914 39.966 1.00 0.00 ATOM 636 CD2 HIS A 83 47.292 -11.645 40.378 1.00 0.00 ATOM 637 ND1 HIS A 83 49.126 -12.850 40.544 1.00 0.00 ATOM 638 CE1 HIS A 83 49.243 -11.685 41.206 1.00 0.00 ATOM 639 NE2 HIS A 83 48.147 -10.958 41.110 1.00 0.00 ATOM 640 O HIS A 83 46.567 -15.322 36.186 1.00 0.00 ATOM 641 C HIS A 83 47.484 -15.378 37.015 1.00 0.00 ATOM 642 N ALA A 84 48.116 -16.513 37.295 1.00 0.00 ATOM 643 CA ALA A 84 47.642 -17.781 36.763 1.00 0.00 ATOM 644 CB ALA A 84 48.723 -18.843 36.885 1.00 0.00 ATOM 645 O ALA A 84 46.306 -18.062 38.731 1.00 0.00 ATOM 646 C ALA A 84 46.407 -18.238 37.522 1.00 0.00 ATOM 647 N ASP A 85 45.461 -18.755 36.791 1.00 0.00 ATOM 648 CA ASP A 85 44.273 -19.347 37.386 1.00 0.00 ATOM 649 CB ASP A 85 43.282 -19.699 36.274 1.00 0.00 ATOM 650 CG ASP A 85 42.664 -18.471 35.634 1.00 0.00 ATOM 651 OD1 ASP A 85 42.850 -17.362 36.175 1.00 0.00 ATOM 652 OD2 ASP A 85 41.992 -18.618 34.592 1.00 0.00 ATOM 653 O ASP A 85 45.350 -21.462 37.727 1.00 0.00 ATOM 654 C ASP A 85 44.610 -20.601 38.189 1.00 0.00 ATOM 655 N PRO A 86 44.068 -20.708 39.381 1.00 0.00 ATOM 656 CA PRO A 86 44.348 -21.886 40.210 1.00 0.00 ATOM 657 CB PRO A 86 43.790 -21.490 41.580 1.00 0.00 ATOM 658 CG PRO A 86 42.680 -20.561 41.248 1.00 0.00 ATOM 659 CD PRO A 86 43.262 -19.720 40.119 1.00 0.00 ATOM 660 O PRO A 86 44.509 -24.259 39.898 1.00 0.00 ATOM 661 C PRO A 86 43.895 -23.226 39.637 1.00 0.00 ATOM 662 N GLN A 87 42.791 -23.231 38.875 1.00 0.00 ATOM 663 CA GLN A 87 42.249 -24.452 38.287 1.00 0.00 ATOM 664 CB GLN A 87 40.809 -24.228 37.823 1.00 0.00 ATOM 665 CG GLN A 87 39.813 -24.033 38.957 1.00 0.00 ATOM 666 CD GLN A 87 38.410 -23.761 38.459 1.00 0.00 ATOM 667 OE1 GLN A 87 38.184 -23.606 37.259 1.00 0.00 ATOM 668 NE2 GLN A 87 37.457 -23.699 39.383 1.00 0.00 ATOM 669 O GLN A 87 43.323 -26.169 36.975 1.00 0.00 ATOM 670 C GLN A 87 43.093 -24.954 37.120 1.00 0.00 ATOM 671 N ASP A 88 43.406 -23.936 36.172 1.00 0.00 ATOM 672 CA ASP A 88 44.274 -24.193 35.025 1.00 0.00 ATOM 673 CB ASP A 88 43.347 -24.135 33.810 1.00 0.00 ATOM 674 CG ASP A 88 44.062 -24.474 32.516 1.00 0.00 ATOM 675 OD1 ASP A 88 45.301 -24.634 32.546 1.00 0.00 ATOM 676 OD2 ASP A 88 43.383 -24.581 31.474 1.00 0.00 ATOM 677 O ASP A 88 45.060 -21.967 34.630 1.00 0.00 ATOM 678 C ASP A 88 45.350 -23.131 34.901 1.00 0.00 ATOM 679 N GLY A 89 46.600 -23.533 35.093 1.00 0.00 ATOM 680 CA GLY A 89 47.692 -22.573 35.187 1.00 0.00 ATOM 681 O GLY A 89 48.478 -20.713 33.908 1.00 0.00 ATOM 682 C GLY A 89 47.873 -21.774 33.901 1.00 0.00 ATOM 683 N ARG A 90 47.393 -22.319 32.790 1.00 0.00 ATOM 684 CA ARG A 90 47.555 -21.675 31.496 1.00 0.00 ATOM 685 CB ARG A 90 47.533 -22.895 30.432 1.00 0.00 ATOM 686 CG ARG A 90 48.676 -23.884 30.510 1.00 0.00 ATOM 687 CD ARG A 90 48.365 -25.143 29.716 1.00 0.00 ATOM 688 NE ARG A 90 47.956 -24.853 28.346 1.00 0.00 ATOM 689 CZ ARG A 90 48.739 -24.295 27.430 1.00 0.00 ATOM 690 NH1 ARG A 90 49.988 -23.962 27.735 1.00 0.00 ATOM 691 NH2 ARG A 90 48.277 -24.069 26.208 1.00 0.00 ATOM 692 O ARG A 90 46.942 -19.633 30.490 1.00 0.00 ATOM 693 C ARG A 90 46.634 -20.477 31.302 1.00 0.00 ATOM 694 N ARG A 91 45.501 -20.419 32.007 1.00 0.00 ATOM 695 CA ARG A 91 44.564 -19.321 31.811 1.00 0.00 ATOM 696 CB ARG A 91 43.146 -19.754 32.190 1.00 0.00 ATOM 697 CG ARG A 91 42.559 -20.819 31.282 1.00 0.00 ATOM 698 CD ARG A 91 41.119 -21.133 31.655 1.00 0.00 ATOM 699 NE ARG A 91 40.584 -22.253 30.885 1.00 0.00 ATOM 700 CZ ARG A 91 39.359 -22.746 31.035 1.00 0.00 ATOM 701 NH1 ARG A 91 38.960 -23.768 30.289 1.00 0.00 ATOM 702 NH2 ARG A 91 38.537 -22.217 31.931 1.00 0.00 ATOM 703 O ARG A 91 45.495 -18.387 33.810 1.00 0.00 ATOM 704 C ARG A 91 45.008 -18.174 32.700 1.00 0.00 ATOM 705 N THR A 92 44.742 -16.943 32.253 1.00 0.00 ATOM 706 CA THR A 92 45.107 -15.744 32.994 1.00 0.00 ATOM 707 CB THR A 92 45.680 -14.658 32.064 1.00 0.00 ATOM 708 CG2 THR A 92 46.029 -13.407 32.857 1.00 0.00 ATOM 709 OG1 THR A 92 46.866 -15.147 31.425 1.00 0.00 ATOM 710 O THR A 92 42.858 -14.935 33.135 1.00 0.00 ATOM 711 C THR A 92 43.913 -15.119 33.725 1.00 0.00 ATOM 712 N ARG A 93 44.054 -14.869 35.030 1.00 0.00 ATOM 713 CA ARG A 93 43.100 -14.028 35.770 1.00 0.00 ATOM 714 CB ARG A 93 42.934 -14.539 37.203 1.00 0.00 ATOM 715 CG ARG A 93 41.845 -13.833 37.994 1.00 0.00 ATOM 716 CD ARG A 93 41.589 -14.524 39.322 1.00 0.00 ATOM 717 NE ARG A 93 42.686 -14.324 40.264 1.00 0.00 ATOM 718 CZ ARG A 93 42.741 -14.867 41.474 1.00 0.00 ATOM 719 NH1 ARG A 93 43.780 -14.629 42.263 1.00 0.00 ATOM 720 NH2 ARG A 93 41.758 -15.652 41.894 1.00 0.00 ATOM 721 O ARG A 93 44.719 -12.365 36.351 1.00 0.00 ATOM 722 C ARG A 93 43.561 -12.593 36.013 1.00 0.00 ATOM 723 N VAL A 94 42.671 -11.659 35.793 1.00 0.00 ATOM 724 CA VAL A 94 42.925 -10.258 36.015 1.00 0.00 ATOM 725 CB VAL A 94 42.301 -9.317 34.969 1.00 0.00 ATOM 726 CG1 VAL A 94 42.511 -7.863 35.365 1.00 0.00 ATOM 727 CG2 VAL A 94 42.936 -9.540 33.605 1.00 0.00 ATOM 728 O VAL A 94 41.356 -10.391 37.819 1.00 0.00 ATOM 729 C VAL A 94 42.358 -9.855 37.375 1.00 0.00 ATOM 730 N SER A 95 42.995 -8.881 38.009 1.00 0.00 ATOM 731 CA SER A 95 42.457 -8.261 39.209 1.00 0.00 ATOM 732 CB SER A 95 42.883 -9.042 40.454 1.00 0.00 ATOM 733 OG SER A 95 44.284 -8.963 40.649 1.00 0.00 ATOM 734 O SER A 95 43.921 -6.415 38.696 1.00 0.00 ATOM 735 C SER A 95 42.952 -6.829 39.354 1.00 0.00 ATOM 736 N LEU A 96 42.297 -6.033 40.192 1.00 0.00 ATOM 737 CA LEU A 96 42.748 -4.674 40.450 1.00 0.00 ATOM 738 CB LEU A 96 41.557 -3.763 40.755 1.00 0.00 ATOM 739 CG LEU A 96 40.516 -3.612 39.645 1.00 0.00 ATOM 740 CD1 LEU A 96 39.348 -2.759 40.113 1.00 0.00 ATOM 741 CD2 LEU A 96 41.129 -2.948 38.421 1.00 0.00 ATOM 742 O LEU A 96 43.415 -5.317 42.667 1.00 0.00 ATOM 743 C LEU A 96 43.694 -4.680 41.651 1.00 0.00 ATOM 744 N SER A 97 44.822 -3.991 41.530 1.00 0.00 ATOM 745 CA SER A 97 45.744 -3.885 42.642 1.00 0.00 ATOM 746 CB SER A 97 47.183 -3.772 42.136 1.00 0.00 ATOM 747 OG SER A 97 47.401 -2.527 41.494 1.00 0.00 ATOM 748 O SER A 97 44.306 -2.016 43.136 1.00 0.00 ATOM 749 C SER A 97 45.346 -2.624 43.417 1.00 0.00 ATOM 750 N SER A 98 46.278 -2.186 44.304 1.00 0.00 ATOM 751 CA SER A 98 46.008 -0.992 45.097 1.00 0.00 ATOM 752 CB SER A 98 47.184 -0.687 46.026 1.00 0.00 ATOM 753 OG SER A 98 47.331 -1.695 47.011 1.00 0.00 ATOM 754 O SER A 98 44.851 1.018 44.659 1.00 0.00 ATOM 755 C SER A 98 45.797 0.302 44.362 1.00 0.00 ATOM 756 N GLU A 99 46.655 0.695 43.436 1.00 0.00 ATOM 757 CA GLU A 99 46.538 1.935 42.719 1.00 0.00 ATOM 758 CB GLU A 99 47.783 2.132 41.852 1.00 0.00 ATOM 759 CG GLU A 99 49.067 2.322 42.642 1.00 0.00 ATOM 760 CD GLU A 99 50.291 2.422 41.753 1.00 0.00 ATOM 761 OE1 GLU A 99 50.143 2.282 40.523 1.00 0.00 ATOM 762 OE2 GLU A 99 51.398 2.642 42.290 1.00 0.00 ATOM 763 O GLU A 99 44.623 3.052 41.787 1.00 0.00 ATOM 764 C GLU A 99 45.272 2.011 41.877 1.00 0.00 ATOM 765 N GLY A 100 44.909 0.883 41.267 1.00 0.00 ATOM 766 CA GLY A 100 43.720 0.875 40.438 1.00 0.00 ATOM 767 O GLY A 100 41.568 1.820 40.851 1.00 0.00 ATOM 768 C GLY A 100 42.466 1.079 41.253 1.00 0.00 ATOM 769 N ARG A 101 42.402 0.438 42.443 1.00 0.00 ATOM 770 CA ARG A 101 41.257 0.564 43.323 1.00 0.00 ATOM 771 CB ARG A 101 41.509 -0.225 44.609 1.00 0.00 ATOM 772 CG ARG A 101 41.429 -1.734 44.438 1.00 0.00 ATOM 773 CD ARG A 101 41.733 -2.453 45.742 1.00 0.00 ATOM 774 NE ARG A 101 41.711 -3.906 45.582 1.00 0.00 ATOM 775 CZ ARG A 101 41.997 -4.768 46.552 1.00 0.00 ATOM 776 NH1 ARG A 101 41.950 -6.072 46.316 1.00 0.00 ATOM 777 NH2 ARG A 101 42.332 -4.324 47.756 1.00 0.00 ATOM 778 O ARG A 101 39.995 2.588 43.620 1.00 0.00 ATOM 779 C ARG A 101 41.093 2.042 43.671 1.00 0.00 ATOM 780 N ARG A 102 42.200 2.689 43.991 1.00 0.00 ATOM 781 CA ARG A 102 42.201 4.105 44.321 1.00 0.00 ATOM 782 CB ARG A 102 43.605 4.559 44.726 1.00 0.00 ATOM 783 CG ARG A 102 44.064 4.029 46.076 1.00 0.00 ATOM 784 CD ARG A 102 45.490 4.458 46.381 1.00 0.00 ATOM 785 NE ARG A 102 45.955 3.934 47.663 1.00 0.00 ATOM 786 CZ ARG A 102 47.187 4.099 48.134 1.00 0.00 ATOM 787 NH1 ARG A 102 47.521 3.586 49.311 1.00 0.00 ATOM 788 NH2 ARG A 102 48.083 4.776 47.427 1.00 0.00 ATOM 789 O ARG A 102 41.013 5.899 43.277 1.00 0.00 ATOM 790 C ARG A 102 41.753 4.948 43.119 1.00 0.00 ATOM 791 N ASN A 103 42.162 4.556 41.917 1.00 0.00 ATOM 792 CA ASN A 103 41.831 5.316 40.717 1.00 0.00 ATOM 793 CB ASN A 103 42.660 4.829 39.528 1.00 0.00 ATOM 794 CG ASN A 103 44.113 5.251 39.620 1.00 0.00 ATOM 795 ND2 ASN A 103 44.980 4.546 38.903 1.00 0.00 ATOM 796 OD1 ASN A 103 44.450 6.201 40.326 1.00 0.00 ATOM 797 O ASN A 103 39.692 6.094 40.004 1.00 0.00 ATOM 798 C ASN A 103 40.357 5.136 40.398 1.00 0.00 ATOM 799 N LEU A 104 39.828 3.917 40.563 1.00 0.00 ATOM 800 CA LEU A 104 38.417 3.670 40.288 1.00 0.00 ATOM 801 CB LEU A 104 38.129 2.209 40.468 1.00 0.00 ATOM 802 CG LEU A 104 36.679 1.810 40.260 1.00 0.00 ATOM 803 CD1 LEU A 104 36.181 2.157 38.845 1.00 0.00 ATOM 804 CD2 LEU A 104 36.539 0.310 40.491 1.00 0.00 ATOM 805 O LEU A 104 36.494 4.972 40.846 1.00 0.00 ATOM 806 C LEU A 104 37.557 4.481 41.233 1.00 0.00 ATOM 807 N TYR A 105 38.035 4.606 42.464 1.00 0.00 ATOM 808 CA TYR A 105 37.322 5.362 43.496 1.00 0.00 ATOM 809 CB TYR A 105 37.956 5.127 44.868 1.00 0.00 ATOM 810 CG TYR A 105 37.278 5.873 45.994 1.00 0.00 ATOM 811 CD1 TYR A 105 36.078 5.420 46.527 1.00 0.00 ATOM 812 CD2 TYR A 105 37.839 7.030 46.521 1.00 0.00 ATOM 813 CE1 TYR A 105 35.449 6.096 47.555 1.00 0.00 ATOM 814 CE2 TYR A 105 37.225 7.719 47.550 1.00 0.00 ATOM 815 CZ TYR A 105 36.021 7.242 48.065 1.00 0.00 ATOM 816 OH TYR A 105 35.399 7.917 49.090 1.00 0.00 ATOM 817 O TYR A 105 36.334 7.485 43.308 1.00 0.00 ATOM 818 C TYR A 105 37.381 6.851 43.178 1.00 0.00 ATOM 819 N GLY A 106 38.514 7.343 42.793 1.00 0.00 ATOM 820 CA GLY A 106 38.580 8.805 42.451 1.00 0.00 ATOM 821 O GLY A 106 37.048 10.218 41.267 1.00 0.00 ATOM 822 C GLY A 106 37.681 9.180 41.267 1.00 0.00 ATOM 823 N ASN A 107 37.614 8.308 40.270 1.00 0.00 ATOM 824 CA ASN A 107 36.756 8.523 39.122 1.00 0.00 ATOM 825 CB ASN A 107 36.996 7.443 38.065 1.00 0.00 ATOM 826 CG ASN A 107 38.318 7.615 37.344 1.00 0.00 ATOM 827 ND2 ASN A 107 38.810 6.538 36.745 1.00 0.00 ATOM 828 OD1 ASN A 107 38.888 8.707 37.327 1.00 0.00 ATOM 829 O ASN A 107 34.473 9.325 39.162 1.00 0.00 ATOM 830 C ASN A 107 35.272 8.473 39.555 1.00 0.00 ATOM 831 N ARG A 108 34.917 7.490 40.373 1.00 0.00 ATOM 832 CA ARG A 108 33.520 7.311 40.787 1.00 0.00 ATOM 833 CB ARG A 108 33.361 6.019 41.591 1.00 0.00 ATOM 834 CG ARG A 108 33.495 4.752 40.763 1.00 0.00 ATOM 835 CD ARG A 108 33.404 3.509 41.634 1.00 0.00 ATOM 836 NE ARG A 108 33.534 2.282 40.853 1.00 0.00 ATOM 837 CZ ARG A 108 33.568 1.063 41.380 1.00 0.00 ATOM 838 NH1 ARG A 108 33.689 0.004 40.590 1.00 0.00 ATOM 839 NH2 ARG A 108 33.483 0.904 42.693 1.00 0.00 ATOM 840 O ARG A 108 31.917 8.972 41.508 1.00 0.00 ATOM 841 C ARG A 108 33.034 8.484 41.673 1.00 0.00 ATOM 842 N ALA A 109 33.888 8.925 42.597 1.00 0.00 ATOM 843 CA ALA A 109 33.574 10.057 43.463 1.00 0.00 ATOM 844 CB ALA A 109 34.701 10.292 44.457 1.00 0.00 ATOM 845 O ALA A 109 32.466 12.108 42.916 1.00 0.00 ATOM 846 C ALA A 109 33.346 11.301 42.618 1.00 0.00 ATOM 847 N LYS A 110 34.163 11.440 41.580 1.00 0.00 ATOM 848 CA LYS A 110 34.059 12.575 40.664 1.00 0.00 ATOM 849 CB LYS A 110 35.037 12.614 39.589 1.00 0.00 ATOM 850 CG LYS A 110 36.448 12.688 40.149 1.00 0.00 ATOM 851 CD LYS A 110 37.556 12.810 39.093 1.00 0.00 ATOM 852 CE LYS A 110 38.939 13.150 39.686 1.00 0.00 ATOM 853 NZ LYS A 110 40.078 12.545 38.951 1.00 0.00 ATOM 854 O LYS A 110 31.926 13.515 39.926 1.00 0.00 ATOM 855 C LYS A 110 32.664 12.502 40.018 1.00 0.00 ATOM 856 N ARG A 111 32.244 11.288 39.579 1.00 0.00 ATOM 857 CA ARG A 111 30.963 11.154 38.912 1.00 0.00 ATOM 858 CB ARG A 111 30.806 9.745 38.335 1.00 0.00 ATOM 859 CG ARG A 111 29.516 9.533 37.559 1.00 0.00 ATOM 860 CD ARG A 111 29.480 8.157 36.914 1.00 0.00 ATOM 861 NE ARG A 111 28.247 7.937 36.163 1.00 0.00 ATOM 862 CZ ARG A 111 27.934 6.796 35.557 1.00 0.00 ATOM 863 NH1 ARG A 111 26.789 6.686 34.898 1.00 0.00 ATOM 864 NH2 ARG A 111 28.769 5.767 35.613 1.00 0.00 ATOM 865 O ARG A 111 28.774 11.935 39.507 1.00 0.00 ATOM 866 C ARG A 111 29.816 11.406 39.890 1.00 0.00 ATOM 867 N GLU A 112 30.007 10.987 41.139 1.00 0.00 ATOM 868 CA GLU A 112 28.969 11.097 42.151 1.00 0.00 ATOM 869 CB GLU A 112 29.388 10.370 43.429 1.00 0.00 ATOM 870 CG GLU A 112 29.424 8.855 43.300 1.00 0.00 ATOM 871 CD GLU A 112 29.978 8.178 44.538 1.00 0.00 ATOM 872 OE1 GLU A 112 30.401 8.895 45.469 1.00 0.00 ATOM 873 OE2 GLU A 112 29.990 6.929 44.576 1.00 0.00 ATOM 874 O GLU A 112 27.614 13.033 42.484 1.00 0.00 ATOM 875 C GLU A 112 28.742 12.575 42.458 1.00 0.00 ATOM 876 N GLU A 113 29.833 13.314 42.645 1.00 0.00 ATOM 877 CA GLU A 113 29.782 14.718 42.973 1.00 0.00 ATOM 878 CB GLU A 113 31.194 15.279 43.147 1.00 0.00 ATOM 879 CG GLU A 113 31.908 14.792 44.399 1.00 0.00 ATOM 880 CD GLU A 113 33.345 15.268 44.475 1.00 0.00 ATOM 881 OE1 GLU A 113 33.807 15.918 43.513 1.00 0.00 ATOM 882 OE2 GLU A 113 34.009 14.993 45.495 1.00 0.00 ATOM 883 O GLU A 113 28.361 16.460 42.194 1.00 0.00 ATOM 884 C GLU A 113 29.091 15.527 41.886 1.00 0.00 ATOM 885 N TRP A 114 29.317 15.178 40.622 1.00 0.00 ATOM 886 CA TRP A 114 28.596 15.821 39.512 1.00 0.00 ATOM 887 CB TRP A 114 28.897 15.232 38.203 1.00 0.00 ATOM 888 CG TRP A 114 30.296 15.568 37.784 1.00 0.00 ATOM 889 CD1 TRP A 114 31.280 14.691 37.432 1.00 0.00 ATOM 890 CD2 TRP A 114 30.867 16.879 37.676 1.00 0.00 ATOM 891 CE2 TRP A 114 32.203 16.719 37.252 1.00 0.00 ATOM 892 CE3 TRP A 114 30.376 18.176 37.896 1.00 0.00 ATOM 893 NE1 TRP A 114 32.432 15.374 37.112 1.00 0.00 ATOM 894 CZ2 TRP A 114 33.062 17.805 37.041 1.00 0.00 ATOM 895 CZ3 TRP A 114 31.226 19.256 37.686 1.00 0.00 ATOM 896 CH2 TRP A 114 32.556 19.062 37.262 1.00 0.00 ATOM 897 O TRP A 114 26.272 16.463 39.567 1.00 0.00 ATOM 898 C TRP A 114 27.087 15.540 39.588 1.00 0.00 ATOM 899 N LEU A 115 26.715 14.312 39.683 1.00 0.00 ATOM 900 CA LEU A 115 25.308 13.909 39.770 1.00 0.00 ATOM 901 CB LEU A 115 25.151 12.404 39.542 1.00 0.00 ATOM 902 CG LEU A 115 23.716 11.873 39.482 1.00 0.00 ATOM 903 CD1 LEU A 115 22.949 12.526 38.344 1.00 0.00 ATOM 904 CD2 LEU A 115 23.710 10.369 39.260 1.00 0.00 ATOM 905 O LEU A 115 23.483 14.704 41.086 1.00 0.00 ATOM 906 C LEU A 115 24.645 14.240 41.101 1.00 0.00 ATOM 907 N VAL A 116 25.324 14.049 42.244 1.00 0.00 ATOM 908 CA VAL A 116 24.734 14.476 43.501 1.00 0.00 ATOM 909 CB VAL A 116 25.633 14.113 44.697 1.00 0.00 ATOM 910 CG1 VAL A 116 25.097 14.739 45.975 1.00 0.00 ATOM 911 CG2 VAL A 116 25.688 12.605 44.884 1.00 0.00 ATOM 912 O VAL A 116 23.460 16.473 43.930 1.00 0.00 ATOM 913 C VAL A 116 24.531 16.003 43.496 1.00 0.00 ATOM 914 N ARG A 117 25.495 16.764 42.992 1.00 0.00 ATOM 915 CA ARG A 117 25.328 18.207 42.846 1.00 0.00 ATOM 916 CB ARG A 117 26.563 18.826 42.189 1.00 0.00 ATOM 917 CG ARG A 117 26.479 20.334 42.009 1.00 0.00 ATOM 918 CD ARG A 117 27.760 20.888 41.406 1.00 0.00 ATOM 919 NE ARG A 117 27.689 22.336 41.207 1.00 0.00 ATOM 920 CZ ARG A 117 28.669 23.067 40.688 1.00 0.00 ATOM 921 NH1 ARG A 117 28.515 24.377 40.547 1.00 0.00 ATOM 922 NH2 ARG A 117 29.800 22.487 40.313 1.00 0.00 ATOM 923 O ARG A 117 23.285 19.359 42.332 1.00 0.00 ATOM 924 C ARG A 117 24.115 18.509 41.980 1.00 0.00 ATOM 925 N ALA A 118 24.021 17.891 40.826 1.00 0.00 ATOM 926 CA ALA A 118 22.925 18.217 39.891 1.00 0.00 ATOM 927 CB ALA A 118 22.943 17.388 38.679 1.00 0.00 ATOM 928 O ALA A 118 20.566 18.558 40.224 1.00 0.00 ATOM 929 C ALA A 118 21.550 17.850 40.468 1.00 0.00 ATOM 930 N MET A 119 21.495 16.791 41.262 1.00 0.00 ATOM 931 CA MET A 119 20.237 16.384 41.891 1.00 0.00 ATOM 932 CB MET A 119 20.439 15.111 42.714 1.00 0.00 ATOM 933 CG MET A 119 20.684 13.864 41.880 1.00 0.00 ATOM 934 SD MET A 119 20.972 12.398 42.889 1.00 0.00 ATOM 935 CE MET A 119 21.278 11.169 41.621 1.00 0.00 ATOM 936 O MET A 119 18.589 17.865 42.835 1.00 0.00 ATOM 937 C MET A 119 19.764 17.516 42.809 1.00 0.00 ATOM 938 N HIS A 120 20.670 18.090 43.581 1.00 0.00 ATOM 939 CA HIS A 120 20.319 19.191 44.453 1.00 0.00 ATOM 940 CB HIS A 120 21.466 19.701 45.263 1.00 0.00 ATOM 941 CG HIS A 120 21.812 18.726 46.336 1.00 0.00 ATOM 942 CD2 HIS A 120 21.214 17.544 46.657 1.00 0.00 ATOM 943 ND1 HIS A 120 22.842 18.895 47.219 1.00 0.00 ATOM 944 CE1 HIS A 120 22.891 17.865 48.052 1.00 0.00 ATOM 945 NE2 HIS A 120 21.913 17.029 47.728 1.00 0.00 ATOM 946 O HIS A 120 18.745 20.913 43.929 1.00 0.00 ATOM 947 C HIS A 120 19.793 20.365 43.635 1.00 0.00 ATOM 948 N ALA A 121 20.497 20.700 42.591 1.00 0.00 ATOM 949 CA ALA A 121 20.101 21.818 41.751 1.00 0.00 ATOM 950 CB ALA A 121 21.205 22.157 40.762 1.00 0.00 ATOM 951 O ALA A 121 18.171 22.560 40.557 1.00 0.00 ATOM 952 C ALA A 121 18.852 21.599 40.919 1.00 0.00 ATOM 953 N CYS A 122 18.529 20.344 40.633 1.00 0.00 ATOM 954 CA CYS A 122 17.397 20.084 39.760 1.00 0.00 ATOM 955 CB CYS A 122 17.793 19.118 38.641 1.00 0.00 ATOM 956 SG CYS A 122 19.206 19.661 37.653 1.00 0.00 ATOM 957 O CYS A 122 15.114 19.397 39.501 1.00 0.00 ATOM 958 C CYS A 122 16.084 19.513 40.259 1.00 0.00 ATOM 959 N LEU A 123 16.100 18.915 41.415 1.00 0.00 ATOM 960 CA LEU A 123 14.921 18.274 41.993 1.00 0.00 ATOM 961 CB LEU A 123 15.162 16.821 42.442 1.00 0.00 ATOM 962 CG LEU A 123 15.738 15.872 41.381 1.00 0.00 ATOM 963 CD1 LEU A 123 15.904 14.505 41.986 1.00 0.00 ATOM 964 CD2 LEU A 123 14.964 15.853 40.108 1.00 0.00 ATOM 965 O LEU A 123 15.194 19.551 43.997 1.00 0.00 ATOM 966 C LEU A 123 14.405 18.979 43.242 1.00 0.00 ATOM 967 N ASP A 124 13.090 18.920 43.449 1.00 0.00 ATOM 968 CA ASP A 124 12.544 19.568 44.637 1.00 0.00 ATOM 969 CB ASP A 124 11.037 19.787 44.486 1.00 0.00 ATOM 970 CG ASP A 124 10.706 20.894 43.505 1.00 0.00 ATOM 971 OD1 ASP A 124 11.623 21.656 43.137 1.00 0.00 ATOM 972 OD2 ASP A 124 9.527 20.997 43.104 1.00 0.00 ATOM 973 O ASP A 124 13.263 17.552 45.711 1.00 0.00 ATOM 974 C ASP A 124 12.761 18.672 45.849 1.00 0.00 ATOM 975 N GLU A 125 12.452 19.190 47.035 1.00 0.00 ATOM 976 CA GLU A 125 12.671 18.454 48.277 1.00 0.00 ATOM 977 CB GLU A 125 12.108 19.231 49.469 1.00 0.00 ATOM 978 CG GLU A 125 12.298 18.537 50.809 1.00 0.00 ATOM 979 CD GLU A 125 11.759 19.351 51.969 1.00 0.00 ATOM 980 OE1 GLU A 125 11.249 20.464 51.726 1.00 0.00 ATOM 981 OE2 GLU A 125 11.849 18.875 53.120 1.00 0.00 ATOM 982 O GLU A 125 12.541 16.067 48.534 1.00 0.00 ATOM 983 C GLU A 125 11.953 17.109 48.214 1.00 0.00 ATOM 984 N SER A 126 10.719 17.121 47.780 1.00 0.00 ATOM 985 CA SER A 126 9.957 15.881 47.705 1.00 0.00 ATOM 986 CB SER A 126 8.526 16.156 47.242 1.00 0.00 ATOM 987 OG SER A 126 7.810 16.903 48.212 1.00 0.00 ATOM 988 O SER A 126 10.812 13.751 47.003 1.00 0.00 ATOM 989 C SER A 126 10.615 14.931 46.716 1.00 0.00 ATOM 990 N GLU A 127 10.976 15.451 45.549 1.00 0.00 ATOM 991 CA GLU A 127 11.598 14.617 44.537 1.00 0.00 ATOM 992 CB GLU A 127 11.921 15.442 43.289 1.00 0.00 ATOM 993 CG GLU A 127 10.700 15.871 42.494 1.00 0.00 ATOM 994 CD GLU A 127 11.049 16.785 41.336 1.00 0.00 ATOM 995 OE1 GLU A 127 12.238 17.145 41.200 1.00 0.00 ATOM 996 OE2 GLU A 127 10.134 17.144 40.565 1.00 0.00 ATOM 997 O GLU A 127 13.180 12.833 44.771 1.00 0.00 ATOM 998 C GLU A 127 12.895 14.000 45.035 1.00 0.00 ATOM 999 N ARG A 128 13.712 14.793 45.785 1.00 0.00 ATOM 1000 CA ARG A 128 14.992 14.320 46.339 1.00 0.00 ATOM 1001 CB ARG A 128 15.657 15.419 47.169 1.00 0.00 ATOM 1002 CG ARG A 128 16.202 16.575 46.345 1.00 0.00 ATOM 1003 CD ARG A 128 16.780 17.662 47.236 1.00 0.00 ATOM 1004 NE ARG A 128 17.284 18.794 46.462 1.00 0.00 ATOM 1005 CZ ARG A 128 17.774 19.907 46.996 1.00 0.00 ATOM 1006 NH1 ARG A 128 18.209 20.885 46.214 1.00 0.00 ATOM 1007 NH2 ARG A 128 17.828 20.041 48.315 1.00 0.00 ATOM 1008 O ARG A 128 15.549 12.149 47.172 1.00 0.00 ATOM 1009 C ARG A 128 14.784 13.102 47.242 1.00 0.00 ATOM 1010 N ALA A 129 13.769 13.157 48.100 1.00 0.00 ATOM 1011 CA ALA A 129 13.482 12.076 49.034 1.00 0.00 ATOM 1012 CB ALA A 129 12.382 12.488 50.001 1.00 0.00 ATOM 1013 O ALA A 129 13.482 9.733 48.538 1.00 0.00 ATOM 1014 C ALA A 129 13.025 10.835 48.251 1.00 0.00 ATOM 1015 N LEU A 130 12.151 11.043 47.261 1.00 0.00 ATOM 1016 CA LEU A 130 11.732 9.972 46.353 1.00 0.00 ATOM 1017 CB LEU A 130 10.797 10.520 45.273 1.00 0.00 ATOM 1018 CG LEU A 130 10.289 9.512 44.240 1.00 0.00 ATOM 1019 CD1 LEU A 130 9.473 8.419 44.912 1.00 0.00 ATOM 1020 CD2 LEU A 130 9.409 10.197 43.208 1.00 0.00 ATOM 1021 O LEU A 130 13.051 8.143 45.623 1.00 0.00 ATOM 1022 C LEU A 130 12.950 9.360 45.682 1.00 0.00 ATOM 1023 N LEU A 131 13.885 10.191 45.185 1.00 0.00 ATOM 1024 CA LEU A 131 15.049 9.655 44.455 1.00 0.00 ATOM 1025 CB LEU A 131 15.858 10.792 43.828 1.00 0.00 ATOM 1026 CG LEU A 131 17.086 10.380 43.012 1.00 0.00 ATOM 1027 CD1 LEU A 131 16.681 9.499 41.841 1.00 0.00 ATOM 1028 CD2 LEU A 131 17.801 11.605 42.462 1.00 0.00 ATOM 1029 O LEU A 131 16.547 7.888 44.971 1.00 0.00 ATOM 1030 C LEU A 131 15.976 8.878 45.377 1.00 0.00 ATOM 1031 N ALA A 132 16.128 9.338 46.609 1.00 0.00 ATOM 1032 CA ALA A 132 16.939 8.589 47.606 1.00 0.00 ATOM 1033 CB ALA A 132 17.042 9.374 48.905 1.00 0.00 ATOM 1034 O ALA A 132 16.946 6.211 47.996 1.00 0.00 ATOM 1035 C ALA A 132 16.278 7.234 47.891 1.00 0.00 ATOM 1036 N ALA A 133 14.943 7.237 48.067 1.00 0.00 ATOM 1037 CA ALA A 133 14.226 6.020 48.356 1.00 0.00 ATOM 1038 CB ALA A 133 12.756 6.315 48.610 1.00 0.00 ATOM 1039 O ALA A 133 14.433 3.835 47.399 1.00 0.00 ATOM 1040 C ALA A 133 14.324 5.049 47.191 1.00 0.00 ATOM 1041 N ALA A 134 14.227 5.544 45.964 1.00 0.00 ATOM 1042 CA ALA A 134 14.247 4.668 44.784 1.00 0.00 ATOM 1043 CB ALA A 134 13.803 5.435 43.548 1.00 0.00 ATOM 1044 O ALA A 134 15.847 3.065 43.981 1.00 0.00 ATOM 1045 C ALA A 134 15.643 4.177 44.477 1.00 0.00 ATOM 1046 N GLY A 135 16.687 4.958 44.764 1.00 0.00 ATOM 1047 CA GLY A 135 18.030 4.522 44.427 1.00 0.00 ATOM 1048 O GLY A 135 19.019 2.376 44.577 1.00 0.00 ATOM 1049 C GLY A 135 18.440 3.269 45.180 1.00 0.00 ATOM 1050 N PRO A 136 18.171 3.187 46.512 1.00 0.00 ATOM 1051 CA PRO A 136 18.569 1.976 47.237 1.00 0.00 ATOM 1052 CB PRO A 136 18.162 2.262 48.684 1.00 0.00 ATOM 1053 CG PRO A 136 18.224 3.748 48.804 1.00 0.00 ATOM 1054 CD PRO A 136 17.720 4.293 47.498 1.00 0.00 ATOM 1055 O PRO A 136 18.410 -0.318 46.519 1.00 0.00 ATOM 1056 C PRO A 136 17.823 0.765 46.676 1.00 0.00 ATOM 1057 N LEU A 137 16.555 0.932 46.293 1.00 0.00 ATOM 1058 CA LEU A 137 15.773 -0.152 45.698 1.00 0.00 ATOM 1059 CB LEU A 137 14.310 0.247 45.504 1.00 0.00 ATOM 1060 CG LEU A 137 13.469 0.387 46.775 1.00 0.00 ATOM 1061 CD1 LEU A 137 12.098 0.959 46.454 1.00 0.00 ATOM 1062 CD2 LEU A 137 13.276 -0.966 47.443 1.00 0.00 ATOM 1063 O LEU A 137 16.444 -1.739 43.988 1.00 0.00 ATOM 1064 C LEU A 137 16.328 -0.546 44.312 1.00 0.00 ATOM 1065 N LEU A 138 16.674 0.443 43.492 1.00 0.00 ATOM 1066 CA LEU A 138 17.274 0.142 42.192 1.00 0.00 ATOM 1067 CB LEU A 138 17.493 1.427 41.391 1.00 0.00 ATOM 1068 CG LEU A 138 18.102 1.263 39.998 1.00 0.00 ATOM 1069 CD1 LEU A 138 17.197 0.419 39.111 1.00 0.00 ATOM 1070 CD2 LEU A 138 18.292 2.616 39.330 1.00 0.00 ATOM 1071 O LEU A 138 18.951 -1.463 41.628 1.00 0.00 ATOM 1072 C LEU A 138 18.626 -0.548 42.366 1.00 0.00 ATOM 1073 N THR A 139 19.416 -0.086 43.334 1.00 0.00 ATOM 1074 CA THR A 139 20.757 -0.615 43.530 1.00 0.00 ATOM 1075 CB THR A 139 21.515 0.208 44.587 1.00 0.00 ATOM 1076 CG2 THR A 139 22.897 -0.399 44.854 1.00 0.00 ATOM 1077 OG1 THR A 139 21.673 1.553 44.110 1.00 0.00 ATOM 1078 O THR A 139 21.458 -2.897 43.427 1.00 0.00 ATOM 1079 C THR A 139 20.711 -2.080 43.948 1.00 0.00 ATOM 1080 N ARG A 140 19.821 -2.395 44.879 1.00 0.00 ATOM 1081 CA ARG A 140 19.686 -3.762 45.379 1.00 0.00 ATOM 1082 CB ARG A 140 18.634 -3.812 46.480 1.00 0.00 ATOM 1083 CG ARG A 140 18.354 -5.222 46.998 1.00 0.00 ATOM 1084 CD ARG A 140 17.365 -5.201 48.145 1.00 0.00 ATOM 1085 NE ARG A 140 16.021 -4.830 47.713 1.00 0.00 ATOM 1086 CZ ARG A 140 15.192 -5.636 47.054 1.00 0.00 ATOM 1087 NH1 ARG A 140 15.566 -6.873 46.740 1.00 0.00 ATOM 1088 NH2 ARG A 140 13.985 -5.205 46.716 1.00 0.00 ATOM 1089 O ARG A 140 19.855 -5.848 44.187 1.00 0.00 ATOM 1090 C ARG A 140 19.297 -4.749 44.284 1.00 0.00 ATOM 1091 N LEU A 141 18.341 -4.345 43.450 1.00 0.00 ATOM 1092 CA LEU A 141 17.867 -5.206 42.375 1.00 0.00 ATOM 1093 CB LEU A 141 16.560 -4.655 41.798 1.00 0.00 ATOM 1094 CG LEU A 141 15.403 -4.707 42.804 1.00 0.00 ATOM 1095 CD1 LEU A 141 14.228 -3.882 42.315 1.00 0.00 ATOM 1096 CD2 LEU A 141 14.990 -6.155 43.024 1.00 0.00 ATOM 1097 O LEU A 141 19.133 -6.428 40.772 1.00 0.00 ATOM 1098 C LEU A 141 18.939 -5.349 41.309 1.00 0.00 ATOM 1099 N ALA A 142 19.649 -4.265 41.014 1.00 0.00 ATOM 1100 CA ALA A 142 20.715 -4.315 40.022 1.00 0.00 ATOM 1101 CB ALA A 142 21.276 -2.931 39.784 1.00 0.00 ATOM 1102 O ALA A 142 22.446 -5.924 39.623 1.00 0.00 ATOM 1103 C ALA A 142 21.831 -5.267 40.458 1.00 0.00 ATOM 1104 N GLN A 143 22.114 -5.321 41.751 1.00 0.00 ATOM 1105 CA GLN A 143 23.144 -6.225 42.275 1.00 0.00 ATOM 1106 CB GLN A 143 23.490 -5.988 43.698 1.00 0.00 ATOM 1107 CG GLN A 143 24.531 -4.889 43.926 1.00 0.00 ATOM 1108 CD GLN A 143 24.824 -4.659 45.420 1.00 0.00 ATOM 1109 OE1 GLN A 143 24.861 -5.606 46.215 1.00 0.00 ATOM 1110 NE2 GLN A 143 25.002 -3.394 45.797 1.00 0.00 ATOM 1111 O GLN A 143 23.493 -8.522 41.663 1.00 0.00 ATOM 1112 C GLN A 143 22.691 -7.657 42.002 1.00 0.00 ATOM 1113 N PHE A 144 21.376 -7.928 42.214 1.00 0.00 ATOM 1114 CA PHE A 144 20.829 -9.239 41.972 1.00 0.00 ATOM 1115 CB PHE A 144 19.341 -9.265 42.335 1.00 0.00 ATOM 1116 CG PHE A 144 18.688 -10.599 42.111 1.00 0.00 ATOM 1117 CD1 PHE A 144 18.850 -11.627 43.022 1.00 0.00 ATOM 1118 CD2 PHE A 144 17.910 -10.824 40.989 1.00 0.00 ATOM 1119 CE1 PHE A 144 18.247 -12.852 42.817 1.00 0.00 ATOM 1120 CE2 PHE A 144 17.307 -12.051 40.783 1.00 0.00 ATOM 1121 CZ PHE A 144 17.473 -13.063 41.691 1.00 0.00 ATOM 1122 O PHE A 144 21.401 -10.697 40.143 1.00 0.00 ATOM 1123 C PHE A 144 20.984 -9.593 40.483 1.00 0.00 ATOM 1124 N GLU A 145 20.707 -8.637 39.609 1.00 0.00 ATOM 1125 CA GLU A 145 20.842 -8.841 38.169 1.00 0.00 ATOM 1126 CB GLU A 145 20.361 -7.605 37.406 1.00 0.00 ATOM 1127 CG GLU A 145 20.433 -7.742 35.894 1.00 0.00 ATOM 1128 CD GLU A 145 19.918 -6.513 35.170 1.00 0.00 ATOM 1129 OE1 GLU A 145 19.493 -5.558 35.854 1.00 0.00 ATOM 1130 OE2 GLU A 145 19.941 -6.506 33.924 1.00 0.00 ATOM 1131 O GLU A 145 22.591 -10.029 36.989 1.00 0.00 ATOM 1132 C GLU A 145 22.302 -9.099 37.764 1.00 0.00 ATOM 1133 N GLU A 146 23.214 -8.260 38.279 1.00 0.00 ATOM 1134 CA GLU A 146 24.617 -8.455 37.986 1.00 0.00 ATOM 1135 CB GLU A 146 25.359 -7.096 38.003 1.00 0.00 ATOM 1136 CG GLU A 146 25.349 -6.390 39.354 1.00 0.00 ATOM 1137 CD GLU A 146 26.207 -5.131 39.360 1.00 0.00 ATOM 1138 OE1 GLU A 146 26.490 -4.596 38.265 1.00 0.00 ATOM 1139 OE2 GLU A 146 26.587 -4.670 40.458 1.00 0.00 ATOM 1140 O GLU A 146 24.633 -9.842 39.968 1.00 0.00 ATOM 1141 C GLU A 146 25.183 -9.557 38.887 1.00 0.00 ATOM 1142 N PRO A 147 26.248 -10.234 38.420 1.00 0.00 ATOM 1143 CA PRO A 147 26.915 -11.263 39.241 1.00 0.00 ATOM 1144 CB PRO A 147 27.830 -11.959 38.264 1.00 0.00 ATOM 1145 CG PRO A 147 28.154 -10.896 37.259 1.00 0.00 ATOM 1146 CD PRO A 147 26.831 -10.194 37.061 1.00 0.00 ATOM 1147 O PRO A 147 27.839 -9.220 40.260 1.00 0.00 ATOM 1148 C PRO A 147 27.667 -10.468 40.346 1.00 0.00 ENDMDL EXPDTA 2hr3A MODEL 2 REMARK 44 REMARK 44 model 2 is called 2hr3A ATOM 1 N PRO 2 -0.290 -6.119 26.057 1.00 0.00 ATOM 2 CA PRO 2 0.684 -5.017 26.184 1.00 0.00 ATOM 3 CB PRO 2 1.923 -5.596 25.500 1.00 0.00 ATOM 4 CG PRO 2 1.873 -7.080 25.906 1.00 0.00 ATOM 5 CD PRO 2 0.378 -7.431 26.143 1.00 0.00 ATOM 6 O PRO 2 0.311 -3.523 24.320 1.00 0.00 ATOM 7 C PRO 2 0.242 -3.673 25.548 1.00 0.00 ATOM 8 N THR 3 -0.201 -2.709 26.376 1.00 0.00 ATOM 9 CA THR 3 -0.694 -1.437 25.848 1.00 0.00 ATOM 10 CB THR 3 -1.360 -0.476 26.897 1.00 0.00 ATOM 11 CG2 THR 3 -2.475 0.390 26.237 1.00 0.00 ATOM 12 OG1 THR 3 -1.937 -1.218 27.975 1.00 0.00 ATOM 13 O THR 3 1.598 -0.814 25.493 1.00 0.00 ATOM 14 C THR 3 0.421 -0.658 25.193 1.00 0.00 ATOM 15 N ASN 4 -0.005 0.172 24.258 1.00 0.00 ATOM 16 CA ASN 4 0.848 1.117 23.586 1.00 0.00 ATOM 17 CB ASN 4 0.043 1.785 22.432 1.00 0.00 ATOM 18 CG ASN 4 -0.531 0.744 21.410 1.00 0.00 ATOM 19 ND2 ASN 4 -1.856 0.779 21.200 1.00 0.00 ATOM 20 OD1 ASN 4 0.211 -0.072 20.836 1.00 0.00 ATOM 21 O ASN 4 2.557 2.594 24.469 1.00 0.00 ATOM 22 C ASN 4 1.405 2.127 24.616 1.00 0.00 ATOM 23 N GLN 5 0.614 2.413 25.665 1.00 0.00 ATOM 24 CA GLN 5 1.022 3.334 26.753 1.00 0.00 ATOM 25 CB GLN 5 -0.165 3.647 27.666 1.00 0.00 ATOM 26 O GLN 5 2.823 3.526 28.304 1.00 0.00 ATOM 27 C GLN 5 2.134 2.795 27.625 1.00 0.00 ATOM 28 N ASP 6 2.244 1.477 27.633 1.00 0.00 ATOM 29 CA ASP 6 3.294 0.734 28.314 1.00 0.00 ATOM 30 CB ASP 6 2.798 -0.723 28.606 1.00 0.00 ATOM 31 CG ASP 6 1.417 -0.755 29.337 1.00 0.00 ATOM 32 OD1 ASP 6 1.306 -0.086 30.402 1.00 0.00 ATOM 33 OD2 ASP 6 0.441 -1.413 28.854 1.00 0.00 ATOM 34 O ASP 6 5.638 0.893 27.864 1.00 0.00 ATOM 35 C ASP 6 4.505 0.791 27.398 1.00 0.00 ATOM 36 N LEU 7 4.266 0.729 26.085 1.00 0.00 ATOM 37 CA LEU 7 5.335 0.885 25.074 1.00 0.00 ATOM 38 CB LEU 7 4.786 0.632 23.654 1.00 0.00 ATOM 39 CG LEU 7 4.371 -0.797 23.259 1.00 0.00 ATOM 40 O LEU 7 7.174 2.417 25.256 1.00 0.00 ATOM 41 C LEU 7 5.962 2.298 25.165 1.00 0.00 ATOM 42 N GLN 8 5.152 3.365 25.186 1.00 0.00 ATOM 43 CA GLN 8 5.688 4.706 25.483 1.00 0.00 ATOM 44 CB GLN 8 4.705 5.787 25.191 1.00 0.00 ATOM 45 CG GLN 8 4.389 5.964 23.689 1.00 0.00 ATOM 46 O GLN 8 7.255 5.662 27.010 1.00 0.00 ATOM 47 C GLN 8 6.314 4.912 26.876 1.00 0.00 ATOM 48 N LEU 9 5.898 4.189 27.896 1.00 0.00 ATOM 49 CA LEU 9 6.611 4.268 29.190 1.00 0.00 ATOM 50 CB LEU 9 5.766 3.595 30.293 1.00 0.00 ATOM 51 CG LEU 9 6.499 3.391 31.644 1.00 0.00 ATOM 52 CD1 LEU 9 6.888 4.740 32.313 1.00 0.00 ATOM 53 CD2 LEU 9 5.721 2.535 32.618 1.00 0.00 ATOM 54 O LEU 9 8.988 4.240 29.591 1.00 0.00 ATOM 55 C LEU 9 8.001 3.667 29.123 1.00 0.00 ATOM 56 N ALA 10 8.098 2.503 28.493 1.00 0.00 ATOM 57 CA ALA 10 9.383 1.844 28.184 1.00 0.00 ATOM 58 CB ALA 10 9.066 0.562 27.483 1.00 0.00 ATOM 59 O ALA 10 11.493 2.763 27.647 1.00 0.00 ATOM 60 C ALA 10 10.353 2.678 27.337 1.00 0.00 ATOM 61 N ALA 11 9.899 3.267 26.234 1.00 0.00 ATOM 62 CA ALA 11 10.659 4.237 25.418 1.00 0.00 ATOM 63 CB ALA 11 9.716 4.814 24.355 1.00 0.00 ATOM 64 O ALA 11 12.402 5.723 26.154 1.00 0.00 ATOM 65 C ALA 11 11.230 5.406 26.224 1.00 0.00 ATOM 66 N HIS 12 10.383 6.029 27.025 1.00 0.00 ATOM 67 CA HIS 12 10.812 7.060 27.955 1.00 0.00 ATOM 68 CB HIS 12 9.588 7.598 28.673 1.00 0.00 ATOM 69 CG HIS 12 8.671 8.323 27.770 1.00 0.00 ATOM 70 CD2 HIS 12 8.912 8.991 26.621 1.00 0.00 ATOM 71 ND1 HIS 12 7.320 8.399 27.990 1.00 0.00 ATOM 72 CE1 HIS 12 6.764 9.118 27.034 1.00 0.00 ATOM 73 NE2 HIS 12 7.708 9.470 26.177 1.00 0.00 ATOM 74 O HIS 12 12.867 7.227 29.139 1.00 0.00 ATOM 75 C HIS 12 11.833 6.620 28.991 1.00 0.00 ATOM 76 N LEU 13 11.502 5.583 29.744 1.00 0.00 ATOM 77 CA LEU 13 12.423 5.036 30.719 1.00 0.00 ATOM 78 CB LEU 13 11.836 3.815 31.416 1.00 0.00 ATOM 79 CG LEU 13 12.737 3.174 32.462 1.00 0.00 ATOM 80 CD1 LEU 13 13.254 4.190 33.449 1.00 0.00 ATOM 81 CD2 LEU 13 12.006 2.177 33.166 1.00 0.00 ATOM 82 O LEU 13 14.795 5.105 30.594 1.00 0.00 ATOM 83 C LEU 13 13.755 4.707 30.078 1.00 0.00 ATOM 84 N ARG 14 13.751 3.970 28.965 1.00 0.00 ATOM 85 CA ARG 14 14.990 3.738 28.192 1.00 0.00 ATOM 86 CB ARG 14 14.653 3.071 26.848 1.00 0.00 ATOM 87 CG ARG 14 15.957 2.633 26.038 1.00 0.00 ATOM 88 CD ARG 14 15.711 2.191 24.592 1.00 0.00 ATOM 89 NE ARG 14 14.834 3.083 23.825 1.00 0.00 ATOM 90 CZ ARG 14 15.204 4.291 23.379 1.00 0.00 ATOM 91 NH1 ARG 14 16.376 4.798 23.648 1.00 0.00 ATOM 92 NH2 ARG 14 14.369 5.038 22.694 1.00 0.00 ATOM 93 O ARG 14 17.010 5.086 28.059 1.00 0.00 ATOM 94 C ARG 14 15.799 5.033 27.887 1.00 0.00 ATOM 95 N SER 15 15.142 6.072 27.393 1.00 0.00 ATOM 96 CA SER 15 15.914 7.227 26.928 1.00 0.00 ATOM 97 CB SER 15 15.128 8.172 25.990 1.00 0.00 ATOM 98 OG SER 15 14.092 8.812 26.714 1.00 0.00 ATOM 99 O SER 15 17.622 8.271 28.149 1.00 0.00 ATOM 100 C SER 15 16.465 7.947 28.133 1.00 0.00 ATOM 101 N GLN 16 15.684 8.020 29.184 1.00 0.00 ATOM 102 CA GLN 16 16.092 8.675 30.420 1.00 0.00 ATOM 103 CB GLN 16 14.947 8.606 31.377 1.00 0.00 ATOM 104 CG GLN 16 13.782 9.456 30.929 1.00 0.00 ATOM 105 CD GLN 16 12.414 9.000 31.458 1.00 0.00 ATOM 106 OE1 GLN 16 12.275 7.992 32.170 1.00 0.00 ATOM 107 NE2 GLN 16 11.417 9.772 31.143 1.00 0.00 ATOM 108 O GLN 16 18.017 8.816 31.788 1.00 0.00 ATOM 109 C GLN 16 17.285 8.095 31.133 1.00 0.00 ATOM 110 N VAL 17 17.348 6.772 31.155 1.00 0.00 ATOM 111 CA VAL 17 18.292 6.025 31.938 1.00 0.00 ATOM 112 CB VAL 17 17.735 4.591 32.254 1.00 0.00 ATOM 113 CG1 VAL 17 18.785 3.611 32.337 1.00 0.00 ATOM 114 CG2 VAL 17 16.958 4.551 33.541 1.00 0.00 ATOM 115 O VAL 17 20.618 6.038 31.605 1.00 0.00 ATOM 116 C VAL 17 19.547 5.983 31.083 1.00 0.00 ATOM 117 N THR 18 19.423 5.925 29.757 1.00 0.00 ATOM 118 CA THR 18 20.623 5.869 28.886 1.00 0.00 ATOM 119 CB THR 18 20.420 5.155 27.511 1.00 0.00 ATOM 120 CG2 THR 18 19.635 3.812 27.599 1.00 0.00 ATOM 121 OG1 THR 18 19.772 5.998 26.579 1.00 0.00 ATOM 122 O THR 18 22.408 7.470 28.859 1.00 0.00 ATOM 123 C THR 18 21.220 7.276 28.748 1.00 0.00 ATOM 124 N THR 19 20.374 8.246 28.560 1.00 0.00 ATOM 125 CA THR 19 20.787 9.614 28.613 1.00 0.00 ATOM 126 CB THR 19 19.585 10.525 28.363 1.00 0.00 ATOM 127 CG2 THR 19 20.004 11.987 28.430 1.00 0.00 ATOM 128 OG1 THR 19 19.068 10.230 27.055 1.00 0.00 ATOM 129 O THR 19 22.488 10.729 29.836 1.00 0.00 ATOM 130 C THR 19 21.455 10.037 29.919 1.00 0.00 ATOM 131 N LEU 20 20.907 9.686 31.094 1.00 0.00 ATOM 132 CA LEU 20 21.622 9.992 32.304 1.00 0.00 ATOM 133 CB LEU 20 20.789 9.780 33.559 1.00 0.00 ATOM 134 CG LEU 20 21.397 10.168 34.909 1.00 0.00 ATOM 135 CD1 LEU 20 21.884 11.607 34.979 1.00 0.00 ATOM 136 CD2 LEU 20 20.483 9.940 36.125 1.00 0.00 ATOM 137 O LEU 20 23.952 9.848 32.798 1.00 0.00 ATOM 138 C LEU 20 22.969 9.259 32.378 1.00 0.00 ATOM 139 N THR 21 23.020 7.964 32.001 1.00 0.00 ATOM 140 CA THR 21 24.279 7.167 31.959 1.00 0.00 ATOM 141 CB THR 21 23.964 5.718 31.505 1.00 0.00 ATOM 142 CG2 THR 21 25.305 4.822 31.290 1.00 0.00 ATOM 143 OG1 THR 21 23.085 5.093 32.443 1.00 0.00 ATOM 144 O THR 21 26.612 7.708 31.350 1.00 0.00 ATOM 145 C THR 21 25.408 7.776 31.048 1.00 0.00 ATOM 146 N ARG 22 25.011 8.374 29.947 1.00 0.00 ATOM 147 CA ARG 22 25.952 9.016 29.004 1.00 0.00 ATOM 148 CB ARG 22 25.232 9.183 27.658 1.00 0.00 ATOM 149 CG ARG 22 26.120 9.615 26.515 1.00 0.00 ATOM 150 CD ARG 22 25.513 9.410 25.096 1.00 0.00 ATOM 151 NE ARG 22 24.656 8.215 25.038 1.00 0.00 ATOM 152 CZ ARG 22 23.326 8.247 24.904 1.00 0.00 ATOM 153 NH1 ARG 22 22.641 9.405 24.819 1.00 0.00 ATOM 154 NH2 ARG 22 22.665 7.098 24.877 1.00 0.00 ATOM 155 O ARG 22 27.702 10.725 29.274 1.00 0.00 ATOM 156 C ARG 22 26.534 10.394 29.520 1.00 0.00 ATOM 157 N ARG 23 25.712 11.160 30.233 1.00 0.00 ATOM 158 CA ARG 23 26.148 12.322 30.981 1.00 0.00 ATOM 159 CB ARG 23 24.932 13.032 31.580 1.00 0.00 ATOM 160 CG ARG 23 25.226 14.397 32.203 1.00 0.00 ATOM 161 CD ARG 23 25.855 15.387 31.238 1.00 0.00 ATOM 162 NE ARG 23 26.443 16.399 32.048 1.00 0.00 ATOM 163 CZ ARG 23 25.766 17.429 32.521 1.00 0.00 ATOM 164 NH1 ARG 23 24.471 17.613 32.205 1.00 0.00 ATOM 165 NH2 ARG 23 26.394 18.305 33.303 1.00 0.00 ATOM 166 O ARG 23 28.206 12.559 32.143 1.00 0.00 ATOM 167 C ARG 23 27.157 11.980 32.065 1.00 0.00 ATOM 168 N LEU 24 26.868 10.984 32.866 1.00 0.00 ATOM 169 CA LEU 24 27.800 10.477 33.868 1.00 0.00 ATOM 170 CB LEU 24 27.191 9.297 34.601 1.00 0.00 ATOM 171 CG LEU 24 26.113 9.487 35.632 1.00 0.00 ATOM 172 CD1 LEU 24 25.356 8.173 35.960 1.00 0.00 ATOM 173 CD2 LEU 24 26.695 10.053 36.871 1.00 0.00 ATOM 174 O LEU 24 30.153 10.049 33.912 1.00 0.00 ATOM 175 C LEU 24 29.099 10.010 33.248 1.00 0.00 ATOM 176 N ARG 25 29.023 9.538 31.999 1.00 0.00 ATOM 177 CA ARG 25 30.235 9.184 31.215 1.00 0.00 ATOM 178 CB ARG 25 29.909 8.514 29.873 1.00 0.00 ATOM 179 CG ARG 25 29.746 7.035 30.016 1.00 0.00 ATOM 180 O ARG 25 32.242 10.386 31.343 1.00 0.00 ATOM 181 C ARG 25 31.097 10.404 30.998 1.00 0.00 ATOM 182 N ARG 26 30.527 11.464 30.460 1.00 0.00 ATOM 183 CA ARG 26 31.208 12.781 30.356 1.00 0.00 ATOM 184 CB ARG 26 30.247 13.792 29.713 1.00 0.00 ATOM 185 O ARG 26 32.717 14.115 31.707 1.00 0.00 ATOM 186 C ARG 26 31.755 13.364 31.682 1.00 0.00 ATOM 187 N GLU 27 31.140 13.020 32.797 1.00 0.00 ATOM 188 CA GLU 27 31.621 13.480 34.106 1.00 0.00 ATOM 189 CB GLU 27 30.426 13.457 35.063 1.00 0.00 ATOM 190 CG GLU 27 29.345 14.468 34.554 1.00 0.00 ATOM 191 CD GLU 27 29.841 15.936 34.541 1.00 0.00 ATOM 192 OE1 GLU 27 30.881 16.199 35.165 1.00 0.00 ATOM 193 OE2 GLU 27 29.186 16.813 33.937 1.00 0.00 ATOM 194 O GLU 27 33.419 13.065 35.681 1.00 0.00 ATOM 195 C GLU 27 32.862 12.725 34.653 1.00 0.00 ATOM 196 N ALA 28 33.273 11.673 33.952 1.00 0.00 ATOM 197 CA ALA 28 34.508 10.983 34.266 1.00 0.00 ATOM 198 CB ALA 28 34.671 9.734 33.397 1.00 0.00 ATOM 199 O ALA 28 36.686 11.792 34.823 1.00 0.00 ATOM 200 C ALA 28 35.699 11.925 34.097 1.00 0.00 ATOM 201 N GLN 29 35.573 12.890 33.172 1.00 0.00 ATOM 202 CA GLN 29 36.600 13.937 32.899 1.00 0.00 ATOM 203 CB GLN 29 36.825 14.870 34.112 1.00 0.00 ATOM 204 O GLN 29 39.014 13.737 32.822 1.00 0.00 ATOM 205 C GLN 29 37.918 13.317 32.433 1.00 0.00 ATOM 206 N ALA 30 37.785 12.318 31.579 1.00 0.00 ATOM 207 CA ALA 30 38.894 11.440 31.233 1.00 0.00 ATOM 208 CB ALA 30 38.672 10.045 31.875 1.00 0.00 ATOM 209 O ALA 30 37.880 10.917 29.126 1.00 0.00 ATOM 210 C ALA 30 38.911 11.325 29.715 1.00 0.00 ATOM 211 N ASP 31 40.041 11.691 29.097 1.00 0.00 ATOM 212 CA ASP 31 40.330 11.459 27.661 1.00 0.00 ATOM 213 CB ASP 31 41.800 11.835 27.352 1.00 0.00 ATOM 214 CG ASP 31 42.805 11.053 28.169 1.00 0.00 ATOM 215 OD1 ASP 31 43.835 11.626 28.574 1.00 0.00 ATOM 216 OD2 ASP 31 42.573 9.850 28.410 1.00 0.00 ATOM 217 O ASP 31 39.675 9.172 28.028 1.00 0.00 ATOM 218 C ASP 31 40.008 10.023 27.199 1.00 0.00 ATOM 219 N PRO 32 40.018 9.763 25.867 1.00 0.00 ATOM 220 CA PRO 32 39.831 8.404 25.282 1.00 0.00 ATOM 221 CB PRO 32 40.328 8.576 23.833 1.00 0.00 ATOM 222 CG PRO 32 40.659 10.016 23.662 1.00 0.00 ATOM 223 CD PRO 32 40.055 10.765 24.792 1.00 0.00 ATOM 224 O PRO 32 39.898 6.159 26.167 1.00 0.00 ATOM 225 C PRO 32 40.545 7.206 25.925 1.00 0.00 ATOM 226 N VAL 33 41.857 7.358 26.144 1.00 0.00 ATOM 227 CA VAL 33 42.699 6.311 26.722 1.00 0.00 ATOM 228 CB VAL 33 44.229 6.691 26.727 1.00 0.00 ATOM 229 O VAL 33 41.999 4.790 28.438 1.00 0.00 ATOM 230 C VAL 33 42.226 5.961 28.136 1.00 0.00 ATOM 231 N GLN 34 42.059 6.988 28.975 1.00 0.00 ATOM 232 CA GLN 34 41.611 6.826 30.358 1.00 0.00 ATOM 233 CB GLN 34 41.668 8.176 31.100 1.00 0.00 ATOM 234 CG GLN 34 43.128 8.581 31.451 1.00 0.00 ATOM 235 CD GLN 34 43.371 10.086 31.543 1.00 0.00 ATOM 236 OE1 GLN 34 42.437 10.885 31.754 1.00 0.00 ATOM 237 NE2 GLN 34 44.645 10.490 31.357 1.00 0.00 ATOM 238 O GLN 34 39.899 5.435 31.319 1.00 0.00 ATOM 239 C GLN 34 40.231 6.253 30.426 1.00 0.00 ATOM 240 N PHE 35 39.383 6.693 29.509 1.00 0.00 ATOM 241 CA PHE 35 38.011 6.202 29.532 1.00 0.00 ATOM 242 CB PHE 35 37.081 7.004 28.633 1.00 0.00 ATOM 243 CG PHE 35 35.664 6.515 28.720 1.00 0.00 ATOM 244 CD1 PHE 35 35.074 5.806 27.661 1.00 0.00 ATOM 245 CD2 PHE 35 34.953 6.645 29.919 1.00 0.00 ATOM 246 CE1 PHE 35 33.762 5.290 27.771 1.00 0.00 ATOM 247 CE2 PHE 35 33.645 6.117 30.047 1.00 0.00 ATOM 248 CZ PHE 35 33.059 5.432 28.971 1.00 0.00 ATOM 249 O PHE 35 37.179 3.961 29.837 1.00 0.00 ATOM 250 C PHE 35 37.909 4.713 29.191 1.00 0.00 ATOM 251 N SER 36 38.612 4.296 28.160 1.00 0.00 ATOM 252 CA SER 36 38.618 2.904 27.750 1.00 0.00 ATOM 253 CB SER 36 39.535 2.725 26.538 1.00 0.00 ATOM 254 OG SER 36 40.565 3.694 26.543 1.00 0.00 ATOM 255 O SER 36 38.594 0.899 29.081 1.00 0.00 ATOM 256 C SER 36 39.103 2.005 28.878 1.00 0.00 ATOM 257 N GLN 37 40.064 2.534 29.625 1.00 0.00 ATOM 258 CA GLN 37 40.665 1.851 30.743 1.00 0.00 ATOM 259 CB GLN 37 41.932 2.594 31.097 1.00 0.00 ATOM 260 CG GLN 37 42.989 2.217 30.138 1.00 0.00 ATOM 261 CD GLN 37 44.244 3.044 30.274 1.00 0.00 ATOM 262 OE1 GLN 37 45.237 2.711 29.611 1.00 0.00 ATOM 263 NE2 GLN 37 44.232 4.092 31.147 1.00 0.00 ATOM 264 O GLN 37 39.835 0.731 32.678 1.00 0.00 ATOM 265 C GLN 37 39.823 1.740 31.973 1.00 0.00 ATOM 266 N LEU 38 39.097 2.795 32.227 1.00 0.00 ATOM 267 CA LEU 38 38.131 2.845 33.306 1.00 0.00 ATOM 268 CB LEU 38 37.454 4.194 33.299 1.00 0.00 ATOM 269 CG LEU 38 37.176 4.631 34.730 1.00 0.00 ATOM 270 CD1 LEU 38 38.388 5.291 35.430 1.00 0.00 ATOM 271 CD2 LEU 38 35.965 5.525 34.706 1.00 0.00 ATOM 272 O LEU 38 36.753 1.161 34.171 1.00 0.00 ATOM 273 C LEU 38 37.051 1.791 33.202 1.00 0.00 ATOM 274 N VAL 39 36.453 1.682 32.017 1.00 0.00 ATOM 275 CA VAL 39 35.482 0.635 31.674 1.00 0.00 ATOM 276 CB VAL 39 35.158 0.666 30.130 1.00 0.00 ATOM 277 CG1 VAL 39 34.446 -0.544 29.682 1.00 0.00 ATOM 278 CG2 VAL 39 34.378 1.918 29.753 1.00 0.00 ATOM 279 O VAL 39 35.403 -1.469 32.765 1.00 0.00 ATOM 280 C VAL 39 36.026 -0.750 32.011 1.00 0.00 ATOM 281 N VAL 40 37.224 -1.094 31.511 1.00 0.00 ATOM 282 CA VAL 40 37.810 -2.386 31.840 1.00 0.00 ATOM 283 CB VAL 40 39.181 -2.591 31.078 1.00 0.00 ATOM 284 CG1 VAL 40 39.911 -3.859 31.534 1.00 0.00 ATOM 285 CG2 VAL 40 38.924 -2.625 29.578 1.00 0.00 ATOM 286 O VAL 40 37.495 -3.564 33.942 1.00 0.00 ATOM 287 C VAL 40 37.925 -2.551 33.363 1.00 0.00 ATOM 288 N LEU 41 38.489 -1.551 34.016 1.00 0.00 ATOM 289 CA LEU 41 38.661 -1.531 35.491 1.00 0.00 ATOM 290 CB LEU 41 39.249 -0.176 35.907 1.00 0.00 ATOM 291 CG LEU 41 40.661 0.031 36.499 1.00 0.00 ATOM 292 CD1 LEU 41 41.693 -0.917 35.982 1.00 0.00 ATOM 293 CD2 LEU 41 41.026 1.459 36.322 1.00 0.00 ATOM 294 O LEU 41 37.317 -2.393 37.321 1.00 0.00 ATOM 295 C LEU 41 37.384 -1.699 36.275 1.00 0.00 ATOM 296 N GLY 42 36.354 -1.020 35.789 1.00 0.00 ATOM 297 CA GLY 42 35.128 -1.034 36.507 1.00 0.00 ATOM 298 O GLY 42 33.862 -2.822 37.282 1.00 0.00 ATOM 299 C GLY 42 34.471 -2.368 36.359 1.00 0.00 ATOM 300 N ALA 43 34.530 -2.915 35.151 1.00 0.00 ATOM 301 CA ALA 43 34.148 -4.248 34.863 1.00 0.00 ATOM 302 CB ALA 43 34.412 -4.529 33.420 1.00 0.00 ATOM 303 O ALA 43 34.097 -6.191 36.261 1.00 0.00 ATOM 304 C ALA 43 34.788 -5.310 35.750 1.00 0.00 ATOM 305 N ILE 44 36.094 -5.229 35.984 1.00 0.00 ATOM 306 CA ILE 44 36.774 -6.204 36.864 1.00 0.00 ATOM 307 CB ILE 44 38.301 -5.900 36.884 1.00 0.00 ATOM 308 CG1 ILE 44 38.942 -6.326 35.563 1.00 0.00 ATOM 309 CG2 ILE 44 38.973 -6.517 38.046 1.00 0.00 ATOM 310 CD1 ILE 44 40.266 -5.705 35.268 1.00 0.00 ATOM 311 O ILE 44 36.237 -7.143 39.027 1.00 0.00 ATOM 312 C ILE 44 36.280 -6.132 38.313 1.00 0.00 ATOM 313 N ASP 45 36.026 -4.906 38.788 1.00 0.00 ATOM 314 CA ASP 45 35.605 -4.715 40.166 1.00 0.00 ATOM 315 CB ASP 45 35.720 -3.255 40.528 1.00 0.00 ATOM 316 CG ASP 45 35.012 -2.910 41.853 1.00 0.00 ATOM 317 OD1 ASP 45 35.539 -3.314 42.933 1.00 0.00 ATOM 318 OD2 ASP 45 33.943 -2.221 41.793 1.00 0.00 ATOM 319 O ASP 45 33.827 -5.909 41.252 1.00 0.00 ATOM 320 C ASP 45 34.171 -5.224 40.296 1.00 0.00 ATOM 321 N ARG 46 33.361 -4.930 39.288 1.00 0.00 ATOM 322 CA ARG 46 32.019 -5.427 39.278 1.00 0.00 ATOM 323 CB ARG 46 31.267 -4.979 38.034 1.00 0.00 ATOM 324 CG ARG 46 30.798 -3.520 38.165 1.00 0.00 ATOM 325 CD ARG 46 29.645 -3.161 37.245 1.00 0.00 ATOM 326 NE ARG 46 29.982 -3.313 35.838 1.00 0.00 ATOM 327 CZ ARG 46 30.667 -2.438 35.104 1.00 0.00 ATOM 328 NH1 ARG 46 31.129 -1.317 35.629 1.00 0.00 ATOM 329 NH2 ARG 46 30.887 -2.695 33.814 1.00 0.00 ATOM 330 O ARG 46 31.304 -7.430 40.296 1.00 0.00 ATOM 331 C ARG 46 31.996 -6.935 39.418 1.00 0.00 ATOM 332 N LEU 47 32.768 -7.650 38.582 1.00 0.00 ATOM 333 CA LEU 47 32.794 -9.138 38.580 1.00 0.00 ATOM 334 CB LEU 47 33.393 -9.680 37.287 1.00 0.00 ATOM 335 CG LEU 47 32.616 -9.366 36.026 1.00 0.00 ATOM 336 CD1 LEU 47 33.550 -9.593 34.834 1.00 0.00 ATOM 337 CD2 LEU 47 31.306 -10.163 35.942 1.00 0.00 ATOM 338 O LEU 47 33.756 -10.992 39.771 1.00 0.00 ATOM 339 C LEU 47 33.550 -9.753 39.736 1.00 0.00 ATOM 340 N GLY 48 33.966 -8.929 40.682 1.00 0.00 ATOM 341 CA GLY 48 34.452 -9.445 41.948 1.00 0.00 ATOM 342 O GLY 48 36.537 -9.849 43.012 1.00 0.00 ATOM 343 C GLY 48 35.952 -9.413 42.023 1.00 0.00 ATOM 344 N GLY 49 36.565 -8.916 40.954 1.00 0.00 ATOM 345 CA GLY 49 37.950 -8.575 40.981 1.00 0.00 ATOM 346 O GLY 49 40.163 -9.333 40.964 1.00 0.00 ATOM 347 C GLY 49 38.978 -9.665 40.800 1.00 0.00 ATOM 348 N ASP 50 38.590 -10.936 40.522 1.00 0.00 ATOM 349 CA ASP 50 39.594 -11.977 40.203 1.00 0.00 ATOM 350 CB ASP 50 39.932 -12.804 41.431 1.00 0.00 ATOM 351 CG ASP 50 40.802 -14.020 41.104 1.00 0.00 ATOM 352 OD1 ASP 50 41.867 -13.816 40.467 1.00 0.00 ATOM 353 OD2 ASP 50 40.417 -15.167 41.486 1.00 0.00 ATOM 354 O ASP 50 38.853 -14.042 39.220 1.00 0.00 ATOM 355 C ASP 50 39.161 -12.868 39.043 1.00 0.00 ATOM 356 N VAL 51 39.294 -12.319 37.841 1.00 0.00 ATOM 357 CA VAL 51 38.547 -12.712 36.667 1.00 0.00 ATOM 358 CB VAL 51 37.582 -11.524 36.236 1.00 0.00 ATOM 359 CG1 VAL 51 36.374 -11.425 37.174 1.00 0.00 ATOM 360 CG2 VAL 51 38.305 -10.147 36.217 1.00 0.00 ATOM 361 O VAL 51 40.440 -12.459 35.239 1.00 0.00 ATOM 362 C VAL 51 39.407 -13.050 35.466 1.00 0.00 ATOM 363 N THR 52 38.938 -14.000 34.659 1.00 0.00 ATOM 364 CA THR 52 39.589 -14.337 33.399 1.00 0.00 ATOM 365 CB THR 52 39.084 -15.725 32.757 1.00 0.00 ATOM 366 CG2 THR 52 39.642 -16.936 33.488 1.00 0.00 ATOM 367 OG1 THR 52 37.660 -15.816 32.814 1.00 0.00 ATOM 368 O THR 52 38.237 -12.593 32.391 1.00 0.00 ATOM 369 C THR 52 39.330 -13.207 32.404 1.00 0.00 ATOM 370 N PRO 53 40.301 -12.958 31.532 1.00 0.00 ATOM 371 CA PRO 53 40.025 -12.147 30.371 1.00 0.00 ATOM 372 CB PRO 53 41.211 -12.450 29.465 1.00 0.00 ATOM 373 CG PRO 53 42.349 -12.604 30.485 1.00 0.00 ATOM 374 CD PRO 53 41.712 -13.393 31.577 1.00 0.00 ATOM 375 O PRO 53 37.943 -11.497 29.349 1.00 0.00 ATOM 376 C PRO 53 38.703 -12.458 29.677 1.00 0.00 ATOM 377 N SER 54 38.455 -13.754 29.435 1.00 0.00 ATOM 378 CA SER 54 37.229 -14.276 28.804 1.00 0.00 ATOM 379 CB SER 54 37.260 -15.798 28.803 1.00 0.00 ATOM 380 OG SER 54 38.025 -16.294 27.721 1.00 0.00 ATOM 381 O SER 54 34.990 -13.523 28.862 1.00 0.00 ATOM 382 C SER 54 35.941 -13.869 29.489 1.00 0.00 ATOM 383 N GLU 55 35.907 -13.946 30.793 1.00 0.00 ATOM 384 CA GLU 55 34.695 -13.669 31.479 1.00 0.00 ATOM 385 CB GLU 55 34.836 -14.059 32.937 1.00 0.00 ATOM 386 CG GLU 55 33.564 -13.894 33.721 1.00 0.00 ATOM 387 CD GLU 55 33.774 -14.142 35.180 1.00 0.00 ATOM 388 OE1 GLU 55 34.826 -14.797 35.536 1.00 0.00 ATOM 389 OE2 GLU 55 32.883 -13.659 35.950 1.00 0.00 ATOM 390 O GLU 55 33.206 -11.800 31.284 1.00 0.00 ATOM 391 C GLU 55 34.370 -12.197 31.368 1.00 0.00 ATOM 392 N LEU 56 35.439 -11.403 31.385 1.00 0.00 ATOM 393 CA LEU 56 35.414 -9.983 31.287 1.00 0.00 ATOM 394 CB LEU 56 36.839 -9.496 31.488 1.00 0.00 ATOM 395 CG LEU 56 37.194 -8.264 32.300 1.00 0.00 ATOM 396 CD1 LEU 56 38.735 -8.058 32.102 1.00 0.00 ATOM 397 CD2 LEU 56 36.402 -7.133 31.849 1.00 0.00 ATOM 398 O LEU 56 34.081 -8.698 29.756 1.00 0.00 ATOM 399 C LEU 56 34.970 -9.561 29.887 1.00 0.00 ATOM 400 N ALA 57 35.630 -10.104 28.855 1.00 0.00 ATOM 401 CA ALA 57 35.186 -9.859 27.500 1.00 0.00 ATOM 402 CB ALA 57 35.938 -10.654 26.553 1.00 0.00 ATOM 403 O ALA 57 32.901 -9.314 26.865 1.00 0.00 ATOM 404 C ALA 57 33.665 -10.164 27.362 1.00 0.00 ATOM 405 N ALA 58 33.222 -11.321 27.853 1.00 0.00 ATOM 406 CA ALA 58 31.843 -11.698 27.716 1.00 0.00 ATOM 407 CB ALA 58 31.602 -13.118 28.268 1.00 0.00 ATOM 408 O ALA 58 29.876 -10.376 27.805 1.00 0.00 ATOM 409 C ALA 58 30.893 -10.728 28.386 1.00 0.00 ATOM 410 N ALA 59 31.214 -10.304 29.600 1.00 0.00 ATOM 411 CA ALA 59 30.388 -9.385 30.370 1.00 0.00 ATOM 412 CB ALA 59 30.939 -9.256 31.780 1.00 0.00 ATOM 413 O ALA 59 29.377 -7.239 30.093 1.00 0.00 ATOM 414 C ALA 59 30.298 -8.005 29.778 1.00 0.00 ATOM 415 N GLU 60 31.307 -7.636 29.004 1.00 0.00 ATOM 416 CA GLU 60 31.387 -6.303 28.420 1.00 0.00 ATOM 417 CB GLU 60 32.776 -5.736 28.671 1.00 0.00 ATOM 418 CG GLU 60 32.978 -5.468 30.103 1.00 0.00 ATOM 419 CD GLU 60 31.959 -4.448 30.642 1.00 0.00 ATOM 420 OE1 GLU 60 31.784 -3.369 30.015 1.00 0.00 ATOM 421 OE2 GLU 60 31.333 -4.724 31.693 1.00 0.00 ATOM 422 O GLU 60 31.313 -5.501 26.179 1.00 0.00 ATOM 423 C GLU 60 31.094 -6.433 26.933 1.00 0.00 ATOM 424 N ARG 61 30.584 -7.604 26.527 1.00 0.00 ATOM 425 CA ARG 61 30.391 -7.924 25.103 1.00 0.00 ATOM 426 CB ARG 61 29.039 -7.413 24.567 1.00 0.00 ATOM 427 CG ARG 61 27.918 -7.285 25.632 1.00 0.00 ATOM 428 CD ARG 61 27.461 -8.680 26.129 1.00 0.00 ATOM 429 NE ARG 61 27.130 -9.570 25.007 1.00 0.00 ATOM 430 CZ ARG 61 27.778 -10.692 24.678 1.00 0.00 ATOM 431 NH1 ARG 61 28.860 -11.087 25.381 1.00 0.00 ATOM 432 NH2 ARG 61 27.366 -11.413 23.615 1.00 0.00 ATOM 433 O ARG 61 31.473 -6.953 23.140 1.00 0.00 ATOM 434 C ARG 61 31.576 -7.368 24.303 1.00 0.00 ATOM 435 N MET 62 32.722 -7.413 24.945 1.00 0.00 ATOM 436 CA MET 62 33.909 -6.918 24.341 1.00 0.00 ATOM 437 CB MET 62 34.886 -6.500 25.396 1.00 0.00 ATOM 438 CG MET 62 34.647 -5.158 25.906 1.00 0.00 ATOM 439 SD MET 62 36.264 -4.638 26.876 1.00 0.00 ATOM 440 CE MET 62 37.540 -4.366 25.326 1.00 0.00 ATOM 441 O MET 62 34.379 -9.188 23.968 1.00 0.00 ATOM 442 C MET 62 34.514 -8.042 23.578 1.00 0.00 ATOM 443 N ARG 63 35.227 -7.669 22.530 1.00 0.00 ATOM 444 CA ARG 63 35.951 -8.580 21.704 1.00 0.00 ATOM 445 CB ARG 63 36.188 -7.911 20.346 1.00 0.00 ATOM 446 CG ARG 63 34.840 -7.775 19.573 1.00 0.00 ATOM 447 CD ARG 63 34.845 -6.756 18.424 1.00 0.00 ATOM 448 NE ARG 63 35.132 -7.367 17.122 1.00 0.00 ATOM 449 CZ ARG 63 34.924 -6.774 15.958 1.00 0.00 ATOM 450 NH1 ARG 63 34.416 -5.541 15.902 1.00 0.00 ATOM 451 NH2 ARG 63 35.190 -7.428 14.848 1.00 0.00 ATOM 452 O ARG 63 38.043 -8.256 22.873 1.00 0.00 ATOM 453 C ARG 63 37.257 -9.053 22.369 1.00 0.00 ATOM 454 N SER 64 37.444 -10.374 22.389 1.00 0.00 ATOM 455 CA SER 64 38.685 -11.015 22.892 1.00 0.00 ATOM 456 CB SER 64 38.718 -12.489 22.455 1.00 0.00 ATOM 457 OG SER 64 39.571 -13.282 23.283 1.00 0.00 ATOM 458 O SER 64 40.730 -9.783 23.252 1.00 0.00 ATOM 459 C SER 64 39.941 -10.259 22.435 1.00 0.00 ATOM 460 N SER 65 40.084 -10.102 21.125 1.00 0.00 ATOM 461 CA SER 65 41.230 -9.378 20.513 1.00 0.00 ATOM 462 CB SER 65 41.014 -9.190 18.983 1.00 0.00 ATOM 463 OG SER 65 39.887 -8.331 18.697 1.00 0.00 ATOM 464 O SER 65 42.661 -7.608 21.208 1.00 0.00 ATOM 465 C SER 65 41.528 -8.020 21.148 1.00 0.00 ATOM 466 N ASN 66 40.496 -7.339 21.626 1.00 0.00 ATOM 467 CA ASN 66 40.547 -5.898 21.944 1.00 0.00 ATOM 468 CB ASN 66 39.166 -5.336 21.617 1.00 0.00 ATOM 469 CG ASN 66 39.136 -3.865 21.678 1.00 0.00 ATOM 470 ND2 ASN 66 39.347 -3.224 20.528 1.00 0.00 ATOM 471 OD1 ASN 66 38.953 -3.278 22.752 1.00 0.00 ATOM 472 O ASN 66 41.725 -4.733 23.738 1.00 0.00 ATOM 473 C ASN 66 40.903 -5.598 23.408 1.00 0.00 ATOM 474 N LEU 67 40.217 -6.342 24.271 1.00 0.00 ATOM 475 CA LEU 67 40.561 -6.549 25.670 1.00 0.00 ATOM 476 CB LEU 67 39.629 -7.631 26.248 1.00 0.00 ATOM 477 CG LEU 67 39.737 -7.679 27.777 1.00 0.00 ATOM 478 CD1 LEU 67 39.547 -6.275 28.431 1.00 0.00 ATOM 479 CD2 LEU 67 38.803 -8.674 28.337 1.00 0.00 ATOM 480 O LEU 67 42.655 -6.620 26.932 1.00 0.00 ATOM 481 C LEU 67 42.031 -6.977 25.914 1.00 0.00 ATOM 482 N ALA 68 42.574 -7.762 24.994 1.00 0.00 ATOM 483 CA ALA 68 43.914 -8.295 25.203 1.00 0.00 ATOM 484 CB ALA 68 44.278 -9.270 24.104 1.00 0.00 ATOM 485 O ALA 68 45.654 -6.949 26.167 1.00 0.00 ATOM 486 C ALA 68 44.843 -7.091 25.265 1.00 0.00 ATOM 487 N ALA 69 44.611 -6.163 24.369 1.00 0.00 ATOM 488 CA ALA 69 45.421 -4.972 24.274 1.00 0.00 ATOM 489 CB ALA 69 45.186 -4.338 22.894 1.00 0.00 ATOM 490 O ALA 69 46.199 -3.250 25.742 1.00 0.00 ATOM 491 C ALA 69 45.236 -3.926 25.381 1.00 0.00 ATOM 492 N LEU 70 44.002 -3.725 25.868 1.00 0.00 ATOM 493 CA LEU 70 43.762 -2.795 26.984 1.00 0.00 ATOM 494 CB LEU 70 42.274 -2.485 27.148 1.00 0.00 ATOM 495 CG LEU 70 41.619 -1.604 26.086 1.00 0.00 ATOM 496 CD1 LEU 70 40.155 -1.778 26.154 1.00 0.00 ATOM 497 CD2 LEU 70 42.012 -0.156 26.290 1.00 0.00 ATOM 498 O LEU 70 44.611 -2.667 29.197 1.00 0.00 ATOM 499 C LEU 70 44.262 -3.388 28.284 1.00 0.00 ATOM 500 N LEU 71 44.241 -4.707 28.379 1.00 0.00 ATOM 501 CA LEU 71 44.755 -5.418 29.556 1.00 0.00 ATOM 502 CB LEU 71 44.378 -6.893 29.531 1.00 0.00 ATOM 503 CG LEU 71 42.916 -7.206 29.835 1.00 0.00 ATOM 504 CD1 LEU 71 42.760 -8.760 29.888 1.00 0.00 ATOM 505 CD2 LEU 71 42.391 -6.482 31.145 1.00 0.00 ATOM 506 O LEU 71 46.817 -5.034 30.625 1.00 0.00 ATOM 507 C LEU 71 46.237 -5.281 29.583 1.00 0.00 ATOM 508 N ARG 72 46.845 -5.416 28.416 1.00 0.00 ATOM 509 CA ARG 72 48.232 -5.048 28.263 1.00 0.00 ATOM 510 CB ARG 72 48.674 -5.240 26.806 1.00 0.00 ATOM 511 CG ARG 72 48.943 -6.734 26.481 1.00 0.00 ATOM 512 CD ARG 72 49.668 -6.940 25.148 1.00 0.00 ATOM 513 NE ARG 72 48.725 -7.108 24.022 1.00 0.00 ATOM 514 CZ ARG 72 48.212 -6.126 23.264 1.00 0.00 ATOM 515 NH1 ARG 72 48.489 -4.836 23.483 1.00 0.00 ATOM 516 NH2 ARG 72 47.389 -6.439 22.264 1.00 0.00 ATOM 517 O ARG 72 49.547 -3.499 29.506 1.00 0.00 ATOM 518 C ARG 72 48.563 -3.651 28.770 1.00 0.00 ATOM 519 N GLU 73 47.771 -2.636 28.426 1.00 0.00 ATOM 520 CA GLU 73 48.119 -1.259 28.870 1.00 0.00 ATOM 521 CB GLU 73 47.243 -0.209 28.197 1.00 0.00 ATOM 522 CG GLU 73 47.071 -0.367 26.689 1.00 0.00 ATOM 523 CD GLU 73 46.040 0.613 26.136 1.00 0.00 ATOM 524 OE1 GLU 73 46.014 1.752 26.656 1.00 0.00 ATOM 525 OE2 GLU 73 45.242 0.240 25.220 1.00 0.00 ATOM 526 O GLU 73 48.787 -0.311 30.987 1.00 0.00 ATOM 527 C GLU 73 48.003 -1.037 30.373 1.00 0.00 ATOM 528 N LEU 74 46.951 -1.623 30.933 1.00 0.00 ATOM 529 CA LEU 74 46.648 -1.589 32.364 1.00 0.00 ATOM 530 CB LEU 74 45.314 -2.318 32.630 1.00 0.00 ATOM 531 CG LEU 74 44.091 -1.482 32.254 1.00 0.00 ATOM 532 CD1 LEU 74 42.811 -2.309 32.456 1.00 0.00 ATOM 533 CD2 LEU 74 44.048 -0.153 33.064 1.00 0.00 ATOM 534 O LEU 74 48.007 -1.628 34.311 1.00 0.00 ATOM 535 C LEU 74 47.737 -2.189 33.262 1.00 0.00 ATOM 536 N GLU 75 48.296 -3.333 32.868 1.00 0.00 ATOM 537 CA GLU 75 49.455 -3.897 33.556 1.00 0.00 ATOM 538 CB GLU 75 49.854 -5.316 33.058 1.00 0.00 ATOM 539 CG GLU 75 49.294 -6.531 33.920 1.00 0.00 ATOM 540 CD GLU 75 50.364 -7.690 34.199 1.00 0.00 ATOM 541 OE1 GLU 75 50.489 -8.606 33.351 1.00 0.00 ATOM 542 OE2 GLU 75 51.067 -7.706 35.262 1.00 0.00 ATOM 543 O GLU 75 51.182 -2.538 34.487 1.00 0.00 ATOM 544 C GLU 75 50.641 -2.918 33.449 1.00 0.00 ATOM 545 N ARG 76 51.024 -2.485 32.241 1.00 0.00 ATOM 546 CA ARG 76 52.195 -1.558 32.111 1.00 0.00 ATOM 547 CB ARG 76 52.389 -1.016 30.695 1.00 0.00 ATOM 548 CG ARG 76 52.759 -2.069 29.700 1.00 0.00 ATOM 549 O ARG 76 53.016 -0.036 33.766 1.00 0.00 ATOM 550 C ARG 76 52.050 -0.390 33.095 1.00 0.00 ATOM 551 N GLY 77 50.825 0.134 33.223 1.00 0.00 ATOM 552 CA GLY 77 50.512 1.216 34.152 1.00 0.00 ATOM 553 O GLY 77 49.742 1.680 36.359 1.00 0.00 ATOM 554 C GLY 77 50.197 0.834 35.591 1.00 0.00 ATOM 555 N GLY 78 50.431 -0.422 35.980 1.00 0.00 ATOM 556 CA GLY 78 50.196 -0.872 37.376 1.00 0.00 ATOM 557 O GLY 78 48.548 -0.974 39.158 1.00 0.00 ATOM 558 C GLY 78 48.762 -0.836 37.941 1.00 0.00 ATOM 559 N LEU 79 47.761 -0.689 37.077 1.00 0.00 ATOM 560 CA LEU 79 46.381 -0.542 37.557 1.00 0.00 ATOM 561 CB LEU 79 45.577 0.310 36.575 1.00 0.00 ATOM 562 CG LEU 79 46.034 1.767 36.438 1.00 0.00 ATOM 563 CD1 LEU 79 45.171 2.458 35.381 1.00 0.00 ATOM 564 CD2 LEU 79 45.912 2.508 37.755 1.00 0.00 ATOM 565 O LEU 79 44.833 -2.081 38.635 1.00 0.00 ATOM 566 C LEU 79 45.731 -1.913 37.783 1.00 0.00 ATOM 567 N ILE 80 46.180 -2.886 37.002 1.00 0.00 ATOM 568 CA ILE 80 45.790 -4.271 37.250 1.00 0.00 ATOM 569 CB ILE 80 44.932 -4.913 36.116 1.00 0.00 ATOM 570 CG1 ILE 80 45.747 -5.009 34.814 1.00 0.00 ATOM 571 CG2 ILE 80 43.617 -4.171 35.944 1.00 0.00 ATOM 572 CD1 ILE 80 45.049 -5.669 33.703 1.00 0.00 ATOM 573 O ILE 80 48.137 -4.864 37.157 1.00 0.00 ATOM 574 C ILE 80 46.987 -5.171 37.521 1.00 0.00 ATOM 575 N VAL 81 46.655 -6.310 38.124 1.00 0.00 ATOM 576 CA VAL 81 47.614 -7.376 38.430 1.00 0.00 ATOM 577 CB VAL 81 47.789 -7.453 39.942 1.00 0.00 ATOM 578 CG1 VAL 81 48.067 -8.810 40.367 1.00 0.00 ATOM 579 CG2 VAL 81 48.896 -6.514 40.387 1.00 0.00 ATOM 580 O VAL 81 46.031 -9.172 38.050 1.00 0.00 ATOM 581 C VAL 81 47.137 -8.709 37.816 1.00 0.00 ATOM 582 N ARG 82 47.988 -9.295 36.999 1.00 0.00 ATOM 583 CA ARG 82 47.662 -10.498 36.264 1.00 0.00 ATOM 584 CB ARG 82 48.105 -10.328 34.813 1.00 0.00 ATOM 585 CG ARG 82 47.813 -11.505 33.913 1.00 0.00 ATOM 586 O ARG 82 49.538 -11.624 37.283 1.00 0.00 ATOM 587 C ARG 82 48.343 -11.693 36.952 1.00 0.00 ATOM 588 N HIS 83 47.553 -12.717 37.267 1.00 0.00 ATOM 589 CA HIS 83 48.054 -14.040 37.729 1.00 0.00 ATOM 590 CB HIS 83 47.622 -14.348 39.179 1.00 0.00 ATOM 591 CG HIS 83 47.562 -13.151 40.087 1.00 0.00 ATOM 592 CD2 HIS 83 46.554 -12.276 40.352 1.00 0.00 ATOM 593 ND1 HIS 83 48.614 -12.783 40.908 1.00 0.00 ATOM 594 CE1 HIS 83 48.265 -11.724 41.623 1.00 0.00 ATOM 595 NE2 HIS 83 47.018 -11.401 41.311 1.00 0.00 ATOM 596 O HIS 83 47.133 -14.684 35.617 1.00 0.00 ATOM 597 C HIS 83 47.418 -15.050 36.761 1.00 0.00 ATOM 598 N ALA 84 47.241 -16.315 37.101 1.00 0.00 ATOM 599 CA ALA 84 48.155 -17.150 37.861 1.00 0.00 ATOM 600 CB ALA 84 47.372 -18.067 38.823 1.00 0.00 ATOM 601 O ALA 84 48.590 -17.847 35.596 1.00 0.00 ATOM 602 C ALA 84 48.869 -17.995 36.802 1.00 0.00 ATOM 603 N ARG 91 45.208 -21.133 33.643 1.00 0.00 ATOM 604 CA ARG 91 44.284 -20.023 33.450 1.00 0.00 ATOM 605 CB ARG 91 42.857 -20.398 33.949 1.00 0.00 ATOM 606 O ARG 91 45.372 -18.724 35.200 1.00 0.00 ATOM 607 C ARG 91 44.774 -18.713 34.109 1.00 0.00 ATOM 608 N THR 92 44.484 -17.600 33.434 1.00 0.00 ATOM 609 CA THR 92 44.974 -16.273 33.807 1.00 0.00 ATOM 610 CB THR 92 45.736 -15.601 32.609 1.00 0.00 ATOM 611 CG2 THR 92 45.536 -14.099 32.559 1.00 0.00 ATOM 612 OG1 THR 92 47.145 -15.847 32.739 1.00 0.00 ATOM 613 O THR 92 42.764 -15.302 33.662 1.00 0.00 ATOM 614 C THR 92 43.819 -15.387 34.293 1.00 0.00 ATOM 615 N ARG 93 44.060 -14.741 35.425 1.00 0.00 ATOM 616 CA ARG 93 43.087 -14.016 36.147 1.00 0.00 ATOM 617 CB ARG 93 42.778 -14.737 37.447 1.00 0.00 ATOM 618 CG ARG 93 42.637 -16.245 37.261 1.00 0.00 ATOM 619 CD ARG 93 41.571 -16.842 38.137 1.00 0.00 ATOM 620 NE ARG 93 40.267 -16.297 37.770 1.00 0.00 ATOM 621 CZ ARG 93 39.112 -16.849 38.106 1.00 0.00 ATOM 622 NH1 ARG 93 39.094 -17.959 38.833 1.00 0.00 ATOM 623 NH2 ARG 93 37.983 -16.292 37.716 1.00 0.00 ATOM 624 O ARG 93 44.852 -12.476 36.639 1.00 0.00 ATOM 625 C ARG 93 43.663 -12.619 36.392 1.00 0.00 ATOM 626 N VAL 94 42.824 -11.597 36.270 1.00 0.00 ATOM 627 CA VAL 94 43.247 -10.230 36.506 1.00 0.00 ATOM 628 CB VAL 94 43.166 -9.299 35.225 1.00 0.00 ATOM 629 CG1 VAL 94 44.166 -9.850 34.131 1.00 0.00 ATOM 630 CG2 VAL 94 41.774 -9.226 34.674 1.00 0.00 ATOM 631 O VAL 94 41.300 -9.966 37.848 1.00 0.00 ATOM 632 C VAL 94 42.459 -9.650 37.659 1.00 0.00 ATOM 633 N SER 95 43.165 -8.831 38.414 1.00 0.00 ATOM 634 CA SER 95 42.708 -8.118 39.564 1.00 0.00 ATOM 635 CB SER 95 43.339 -8.724 40.790 1.00 0.00 ATOM 636 OG SER 95 42.458 -9.688 41.274 1.00 0.00 ATOM 637 O SER 95 44.054 -6.220 38.911 1.00 0.00 ATOM 638 C SER 95 43.104 -6.644 39.551 1.00 0.00 ATOM 639 N LEU 96 42.354 -5.859 40.302 1.00 0.00 ATOM 640 CA LEU 96 42.754 -4.507 40.524 1.00 0.00 ATOM 641 CB LEU 96 41.625 -3.717 41.138 1.00 0.00 ATOM 642 CG LEU 96 40.387 -3.452 40.273 1.00 0.00 ATOM 643 CD1 LEU 96 39.901 -2.102 40.630 1.00 0.00 ATOM 644 CD2 LEU 96 40.608 -3.476 38.789 1.00 0.00 ATOM 645 O LEU 96 43.970 -5.314 42.439 1.00 0.00 ATOM 646 C LEU 96 43.955 -4.555 41.457 1.00 0.00 ATOM 647 N SER 97 44.969 -3.768 41.107 1.00 0.00 ATOM 648 CA SER 97 46.014 -3.391 42.056 1.00 0.00 ATOM 649 CB SER 97 47.260 -2.876 41.335 1.00 0.00 ATOM 650 OG SER 97 47.097 -1.572 40.823 1.00 0.00 ATOM 651 O SER 97 44.354 -1.722 42.558 1.00 0.00 ATOM 652 C SER 97 45.381 -2.302 42.928 1.00 0.00 ATOM 653 N SER 98 45.961 -2.001 44.081 1.00 0.00 ATOM 654 CA SER 98 45.387 -0.892 44.899 1.00 0.00 ATOM 655 CB SER 98 45.889 -0.922 46.354 1.00 0.00 ATOM 656 OG SER 98 44.908 -0.210 47.147 1.00 0.00 ATOM 657 O SER 98 44.654 1.472 44.621 1.00 0.00 ATOM 658 C SER 98 45.485 0.552 44.271 1.00 0.00 ATOM 659 N GLU 99 46.458 0.738 43.363 1.00 0.00 ATOM 660 CA GLU 99 46.450 1.882 42.442 1.00 0.00 ATOM 661 CB GLU 99 47.685 1.905 41.550 1.00 0.00 ATOM 662 CG GLU 99 48.232 3.317 41.220 1.00 0.00 ATOM 663 CD GLU 99 48.941 3.364 39.843 1.00 0.00 ATOM 664 OE1 GLU 99 50.072 2.809 39.685 1.00 0.00 ATOM 665 OE2 GLU 99 48.362 3.972 38.911 1.00 0.00 ATOM 666 O GLU 99 44.620 2.855 41.268 1.00 0.00 ATOM 667 C GLU 99 45.202 1.841 41.549 1.00 0.00 ATOM 668 N GLY 100 44.845 0.639 41.080 1.00 0.00 ATOM 669 CA GLY 100 43.641 0.415 40.294 1.00 0.00 ATOM 670 O GLY 100 41.500 1.491 40.472 1.00 0.00 ATOM 671 C GLY 100 42.388 0.807 41.034 1.00 0.00 ATOM 672 N ARG 101 42.280 0.348 42.282 1.00 0.00 ATOM 673 CA ARG 101 41.135 0.736 43.128 1.00 0.00 ATOM 674 CB ARG 101 41.197 0.056 44.492 1.00 0.00 ATOM 675 CG ARG 101 40.511 -1.279 44.567 1.00 0.00 ATOM 676 CD ARG 101 41.015 -2.081 45.764 1.00 0.00 ATOM 677 NE ARG 101 41.242 -3.424 45.287 1.00 0.00 ATOM 678 CZ ARG 101 42.414 -4.051 45.221 1.00 0.00 ATOM 679 NH1 ARG 101 43.541 -3.486 45.663 1.00 0.00 ATOM 680 NH2 ARG 101 42.444 -5.287 44.709 1.00 0.00 ATOM 681 O ARG 101 40.014 2.843 43.257 1.00 0.00 ATOM 682 C ARG 101 41.077 2.224 43.373 1.00 0.00 ATOM 683 N ARG 102 42.227 2.782 43.757 1.00 0.00 ATOM 684 CA ARG 102 42.320 4.201 44.120 1.00 0.00 ATOM 685 CB ARG 102 43.748 4.607 44.558 1.00 0.00 ATOM 686 O ARG 102 41.093 6.012 43.090 1.00 0.00 ATOM 687 C ARG 102 41.846 5.035 42.928 1.00 0.00 ATOM 688 N ASN 103 42.312 4.642 41.746 1.00 0.00 ATOM 689 CA ASN 103 41.837 5.211 40.486 1.00 0.00 ATOM 690 CB ASN 103 42.666 4.562 39.404 1.00 0.00 ATOM 691 CG ASN 103 42.602 5.274 38.076 1.00 0.00 ATOM 692 ND2 ASN 103 43.751 5.852 37.664 1.00 0.00 ATOM 693 OD1 ASN 103 41.579 5.201 37.362 1.00 0.00 ATOM 694 O ASN 103 39.593 6.019 39.931 1.00 0.00 ATOM 695 C ASN 103 40.295 5.041 40.194 1.00 0.00 ATOM 696 N LEU 104 39.771 3.829 40.261 1.00 0.00 ATOM 697 CA LEU 104 38.368 3.600 39.918 1.00 0.00 ATOM 698 CB LEU 104 38.009 2.085 39.919 1.00 0.00 ATOM 699 CG LEU 104 36.558 1.662 39.665 1.00 0.00 ATOM 700 CD1 LEU 104 36.164 1.952 38.232 1.00 0.00 ATOM 701 CD2 LEU 104 36.338 0.172 40.011 1.00 0.00 ATOM 702 O LEU 104 36.501 4.955 40.422 1.00 0.00 ATOM 703 C LEU 104 37.428 4.307 40.866 1.00 0.00 ATOM 704 N TYR 105 37.637 4.077 42.157 1.00 0.00 ATOM 705 CA TYR 105 36.852 4.631 43.236 1.00 0.00 ATOM 706 CB TYR 105 37.384 4.153 44.594 1.00 0.00 ATOM 707 CG TYR 105 37.270 2.660 44.836 1.00 0.00 ATOM 708 CD1 TYR 105 36.472 1.867 44.022 1.00 0.00 ATOM 709 CD2 TYR 105 37.976 2.032 45.889 1.00 0.00 ATOM 710 CE1 TYR 105 36.377 0.539 44.203 1.00 0.00 ATOM 711 CE2 TYR 105 37.852 0.644 46.095 1.00 0.00 ATOM 712 CZ TYR 105 37.043 -0.082 45.240 1.00 0.00 ATOM 713 OH TYR 105 36.864 -1.456 45.343 1.00 0.00 ATOM 714 O TYR 105 35.881 6.860 43.337 1.00 0.00 ATOM 715 C TYR 105 36.928 6.152 43.195 1.00 0.00 ATOM 716 N GLY 106 38.158 6.623 42.996 1.00 0.00 ATOM 717 CA GLY 106 38.452 7.980 42.587 1.00 0.00 ATOM 718 O GLY 106 36.967 9.658 41.845 1.00 0.00 ATOM 719 C GLY 106 37.501 8.605 41.582 1.00 0.00 ATOM 720 N ASN 107 37.305 7.959 40.439 1.00 0.00 ATOM 721 CA ASN 107 36.522 8.527 39.345 1.00 0.00 ATOM 722 CB ASN 107 36.727 7.757 38.045 1.00 0.00 ATOM 723 CG ASN 107 36.201 8.495 36.829 1.00 0.00 ATOM 724 ND2 ASN 107 36.852 9.572 36.476 1.00 0.00 ATOM 725 OD1 ASN 107 35.232 8.096 36.202 1.00 0.00 ATOM 726 O ASN 107 34.294 9.420 39.443 1.00 0.00 ATOM 727 C ASN 107 35.076 8.493 39.747 1.00 0.00 ATOM 728 N ARG 108 34.720 7.415 40.447 1.00 0.00 ATOM 729 CA ARG 108 33.337 7.234 40.888 1.00 0.00 ATOM 730 CB ARG 108 33.122 5.811 41.464 1.00 0.00 ATOM 731 CG ARG 108 32.914 4.775 40.406 1.00 0.00 ATOM 732 CD ARG 108 33.056 3.328 40.972 1.00 0.00 ATOM 733 NE ARG 108 32.793 2.315 39.916 1.00 0.00 ATOM 734 CZ ARG 108 32.897 1.004 40.071 1.00 0.00 ATOM 735 NH1 ARG 108 33.247 0.467 41.221 1.00 0.00 ATOM 736 NH2 ARG 108 32.650 0.220 39.045 1.00 0.00 ATOM 737 O ARG 108 31.873 8.633 42.027 1.00 0.00 ATOM 738 C ARG 108 32.995 8.249 41.932 1.00 0.00 ATOM 739 N ALA 109 33.974 8.635 42.749 1.00 0.00 ATOM 740 CA ALA 109 33.746 9.647 43.759 1.00 0.00 ATOM 741 CB ALA 109 34.930 9.750 44.736 1.00 0.00 ATOM 742 O ALA 109 32.546 11.724 43.502 1.00 0.00 ATOM 743 C ALA 109 33.465 11.008 43.077 1.00 0.00 ATOM 744 N LYS 110 34.246 11.333 42.031 1.00 0.00 ATOM 745 CA LYS 110 33.955 12.507 41.192 1.00 0.00 ATOM 746 CB LYS 110 34.941 12.674 40.026 1.00 0.00 ATOM 747 CG LYS 110 36.154 13.547 40.351 1.00 0.00 ATOM 748 O LYS 110 31.868 13.461 40.735 1.00 0.00 ATOM 749 C LYS 110 32.576 12.483 40.610 1.00 0.00 ATOM 750 N ARG 111 32.184 11.391 39.970 1.00 0.00 ATOM 751 CA ARG 111 30.867 11.355 39.288 1.00 0.00 ATOM 752 CB ARG 111 30.675 10.029 38.550 1.00 0.00 ATOM 753 CG ARG 111 31.164 10.016 37.118 1.00 0.00 ATOM 754 CD ARG 111 31.017 8.561 36.548 1.00 0.00 ATOM 755 NE ARG 111 32.223 7.766 36.695 1.00 0.00 ATOM 756 CZ ARG 111 32.258 6.457 36.883 1.00 0.00 ATOM 757 NH1 ARG 111 31.143 5.743 36.968 1.00 0.00 ATOM 758 NH2 ARG 111 33.457 5.849 37.000 1.00 0.00 ATOM 759 O ARG 111 28.632 12.090 39.864 1.00 0.00 ATOM 760 C ARG 111 29.665 11.545 40.235 1.00 0.00 ATOM 761 N GLU 112 29.848 11.017 41.444 1.00 0.00 ATOM 762 CA GLU 112 28.892 11.028 42.513 1.00 0.00 ATOM 763 CB GLU 112 29.247 9.952 43.549 1.00 0.00 ATOM 764 CG GLU 112 28.810 8.589 43.055 1.00 0.00 ATOM 765 CD GLU 112 29.439 7.433 43.794 1.00 0.00 ATOM 766 OE1 GLU 112 29.896 7.602 44.945 1.00 0.00 ATOM 767 OE2 GLU 112 29.500 6.346 43.197 1.00 0.00 ATOM 768 O GLU 112 27.666 12.814 43.561 1.00 0.00 ATOM 769 C GLU 112 28.770 12.392 43.175 1.00 0.00 ATOM 770 N GLU 113 29.917 13.037 43.347 1.00 0.00 ATOM 771 CA GLU 113 29.953 14.434 43.792 1.00 0.00 ATOM 772 CB GLU 113 31.403 14.910 43.964 1.00 0.00 ATOM 773 CG GLU 113 32.095 14.416 45.218 1.00 0.00 ATOM 774 CD GLU 113 33.574 14.327 45.005 1.00 0.00 ATOM 775 OE1 GLU 113 34.125 15.333 44.482 1.00 0.00 ATOM 776 OE2 GLU 113 34.184 13.259 45.308 1.00 0.00 ATOM 777 O GLU 113 28.280 15.969 43.147 1.00 0.00 ATOM 778 C GLU 113 29.207 15.298 42.783 1.00 0.00 ATOM 779 N TRP 114 29.611 15.255 41.517 1.00 0.00 ATOM 780 CA TRP 114 28.821 15.797 40.442 1.00 0.00 ATOM 781 CB TRP 114 29.216 15.249 39.059 1.00 0.00 ATOM 782 CG TRP 114 28.354 15.914 38.012 1.00 0.00 ATOM 783 CD1 TRP 114 28.521 17.176 37.523 1.00 0.00 ATOM 784 CD2 TRP 114 27.161 15.418 37.410 1.00 0.00 ATOM 785 CE2 TRP 114 26.648 16.442 36.580 1.00 0.00 ATOM 786 CE3 TRP 114 26.431 14.248 37.542 1.00 0.00 ATOM 787 NE1 TRP 114 27.512 17.500 36.651 1.00 0.00 ATOM 788 CZ2 TRP 114 25.472 16.297 35.851 1.00 0.00 ATOM 789 CZ3 TRP 114 25.236 14.113 36.809 1.00 0.00 ATOM 790 CH2 TRP 114 24.796 15.097 35.967 1.00 0.00 ATOM 791 O TRP 114 26.582 16.548 40.641 1.00 0.00 ATOM 792 C TRP 114 27.303 15.602 40.660 1.00 0.00 ATOM 793 N LEU 115 26.836 14.366 40.857 1.00 0.00 ATOM 794 CA LEU 115 25.372 14.035 40.873 1.00 0.00 ATOM 795 CB LEU 115 25.155 12.546 41.017 1.00 0.00 ATOM 796 CG LEU 115 24.211 11.860 40.035 1.00 0.00 ATOM 797 CD1 LEU 115 24.086 10.375 40.517 1.00 0.00 ATOM 798 CD2 LEU 115 22.868 12.520 39.853 1.00 0.00 ATOM 799 O LEU 115 23.493 15.028 41.877 1.00 0.00 ATOM 800 C LEU 115 24.648 14.636 42.015 1.00 0.00 ATOM 801 N VAL 116 25.314 14.625 43.168 1.00 0.00 ATOM 802 CA VAL 116 24.850 15.342 44.377 1.00 0.00 ATOM 803 CB VAL 116 25.883 15.228 45.570 1.00 0.00 ATOM 804 CG1 VAL 116 25.502 16.125 46.732 1.00 0.00 ATOM 805 CG2 VAL 116 25.988 13.763 46.066 1.00 0.00 ATOM 806 O VAL 116 23.570 17.362 44.592 1.00 0.00 ATOM 807 C VAL 116 24.579 16.804 44.118 1.00 0.00 ATOM 808 N ARG 117 25.501 17.435 43.404 1.00 0.00 ATOM 809 CA ARG 117 25.369 18.834 43.008 1.00 0.00 ATOM 810 CB ARG 117 26.683 19.381 42.460 1.00 0.00 ATOM 811 CG ARG 117 27.615 19.922 43.517 1.00 0.00 ATOM 812 CD ARG 117 28.940 20.499 42.954 1.00 0.00 ATOM 813 NE ARG 117 29.439 19.879 41.704 1.00 0.00 ATOM 814 CZ ARG 117 29.277 20.415 40.481 1.00 0.00 ATOM 815 NH1 ARG 117 28.615 21.587 40.303 1.00 0.00 ATOM 816 NH2 ARG 117 29.766 19.782 39.411 1.00 0.00 ATOM 817 O ARG 117 23.606 20.044 42.036 1.00 0.00 ATOM 818 C ARG 117 24.293 19.039 41.976 1.00 0.00 ATOM 819 N ALA 118 24.149 18.141 41.004 1.00 0.00 ATOM 820 CA ALA 118 22.890 18.127 40.141 1.00 0.00 ATOM 821 CB ALA 118 22.870 16.914 39.146 1.00 0.00 ATOM 822 O ALA 118 20.681 18.831 40.713 1.00 0.00 ATOM 823 C ALA 118 21.596 18.078 40.942 1.00 0.00 ATOM 824 N MET 119 21.556 17.152 41.879 1.00 0.00 ATOM 825 CA MET 119 20.394 16.875 42.642 1.00 0.00 ATOM 826 CB MET 119 20.629 15.630 43.428 1.00 0.00 ATOM 827 CG MET 119 20.476 14.365 42.579 1.00 0.00 ATOM 828 SD MET 119 20.742 12.632 43.572 1.00 0.00 ATOM 829 CE MET 119 18.956 12.278 43.805 1.00 0.00 ATOM 830 O MET 119 18.913 18.185 43.878 1.00 0.00 ATOM 831 C MET 119 20.059 17.983 43.571 1.00 0.00 ATOM 832 N HIS 120 21.050 18.775 43.995 1.00 0.00 ATOM 833 CA HIS 120 20.738 19.903 44.852 1.00 0.00 ATOM 834 CB HIS 120 21.841 20.166 45.862 1.00 0.00 ATOM 835 CG HIS 120 21.686 19.297 47.064 1.00 0.00 ATOM 836 CD2 HIS 120 21.898 17.967 47.230 1.00 0.00 ATOM 837 ND1 HIS 120 21.060 19.726 48.211 1.00 0.00 ATOM 838 CE1 HIS 120 20.994 18.731 49.076 1.00 0.00 ATOM 839 NE2 HIS 120 21.478 17.649 48.498 1.00 0.00 ATOM 840 O HIS 120 19.581 21.928 44.595 1.00 0.00 ATOM 841 C HIS 120 20.311 21.088 44.079 1.00 0.00 ATOM 842 N ALA 121 20.695 21.116 42.820 1.00 0.00 ATOM 843 CA ALA 121 20.410 22.265 41.957 1.00 0.00 ATOM 844 CB ALA 121 21.635 22.501 41.044 1.00 0.00 ATOM 845 O ALA 121 18.621 23.006 40.575 1.00 0.00 ATOM 846 C ALA 121 19.134 22.065 41.097 1.00 0.00 ATOM 847 N CYS 122 18.699 20.835 40.899 1.00 0.00 ATOM 848 CA CYS 122 17.671 20.469 39.893 1.00 0.00 ATOM 849 CB CYS 122 18.170 19.249 39.036 1.00 0.00 ATOM 850 SG CYS 122 19.549 19.716 37.984 1.00 0.00 ATOM 851 O CYS 122 15.305 20.077 39.841 1.00 0.00 ATOM 852 C CYS 122 16.338 20.032 40.511 1.00 0.00 ATOM 853 N LEU 123 16.393 19.625 41.782 1.00 0.00 ATOM 854 CA LEU 123 15.369 18.874 42.420 1.00 0.00 ATOM 855 CB LEU 123 15.823 17.349 42.556 1.00 0.00 ATOM 856 CG LEU 123 16.419 16.472 41.416 1.00 0.00 ATOM 857 CD1 LEU 123 16.924 15.059 41.939 1.00 0.00 ATOM 858 CD2 LEU 123 15.468 16.289 40.261 1.00 0.00 ATOM 859 O LEU 123 16.189 19.749 44.402 1.00 0.00 ATOM 860 C LEU 123 15.198 19.395 43.805 1.00 0.00 ATOM 861 N ASP 124 13.983 19.323 44.363 1.00 0.00 ATOM 862 CA ASP 124 13.808 19.479 45.822 1.00 0.00 ATOM 863 CB ASP 124 12.533 20.277 46.187 1.00 0.00 ATOM 864 CG ASP 124 11.213 19.560 45.829 1.00 0.00 ATOM 865 OD1 ASP 124 11.192 18.366 45.488 1.00 0.00 ATOM 866 OD2 ASP 124 10.150 20.237 45.859 1.00 0.00 ATOM 867 O ASP 124 14.042 17.124 46.010 1.00 0.00 ATOM 868 C ASP 124 13.869 18.162 46.588 1.00 0.00 ATOM 869 N GLU 125 13.691 18.247 47.884 1.00 0.00 ATOM 870 CA GLU 125 13.792 17.135 48.817 1.00 0.00 ATOM 871 CB GLU 125 13.619 17.712 50.242 1.00 0.00 ATOM 872 CG GLU 125 13.998 16.835 51.455 1.00 0.00 ATOM 873 O GLU 125 13.213 14.746 48.572 1.00 0.00 ATOM 874 C GLU 125 12.820 15.963 48.515 1.00 0.00 ATOM 875 N SER 126 11.590 16.317 48.152 1.00 0.00 ATOM 876 CA SER 126 10.554 15.347 47.908 1.00 0.00 ATOM 877 CB SER 126 9.177 16.003 48.025 1.00 0.00 ATOM 878 OG SER 126 8.921 16.849 46.897 1.00 0.00 ATOM 879 O SER 126 10.530 13.485 46.392 1.00 0.00 ATOM 880 C SER 126 10.814 14.654 46.571 1.00 0.00 ATOM 881 N GLU 127 11.502 15.347 45.671 1.00 0.00 ATOM 882 CA GLU 127 11.922 14.756 44.416 1.00 0.00 ATOM 883 CB GLU 127 12.265 15.862 43.451 1.00 0.00 ATOM 884 CG GLU 127 11.026 16.533 42.851 1.00 0.00 ATOM 885 CD GLU 127 11.383 17.781 42.053 1.00 0.00 ATOM 886 OE1 GLU 127 12.458 18.346 42.257 1.00 0.00 ATOM 887 OE2 GLU 127 10.612 18.172 41.191 1.00 0.00 ATOM 888 O GLU 127 13.186 12.854 43.784 1.00 0.00 ATOM 889 C GLU 127 13.109 13.805 44.524 1.00 0.00 ATOM 890 N ARG 128 14.087 14.132 45.372 1.00 0.00 ATOM 891 CA ARG 128 15.145 13.160 45.741 1.00 0.00 ATOM 892 CB ARG 128 16.108 13.805 46.692 1.00 0.00 ATOM 893 CG ARG 128 16.930 14.858 46.078 1.00 0.00 ATOM 894 CD ARG 128 17.851 15.491 47.128 1.00 0.00 ATOM 895 NE ARG 128 17.920 16.839 46.687 1.00 0.00 ATOM 896 CZ ARG 128 17.466 17.923 47.298 1.00 0.00 ATOM 897 NH1 ARG 128 17.004 17.944 48.539 1.00 0.00 ATOM 898 NH2 ARG 128 17.594 19.037 46.629 1.00 0.00 ATOM 899 O ARG 128 15.214 10.835 46.378 1.00 0.00 ATOM 900 C ARG 128 14.605 11.905 46.443 1.00 0.00 ATOM 901 N ALA 129 13.552 12.091 47.232 1.00 0.00 ATOM 902 CA ALA 129 12.902 11.002 47.940 1.00 0.00 ATOM 903 CB ALA 129 11.977 11.537 48.950 1.00 0.00 ATOM 904 O ALA 129 12.210 8.801 47.235 1.00 0.00 ATOM 905 C ALA 129 12.188 10.002 46.981 1.00 0.00 ATOM 906 N LEU 130 11.599 10.521 45.903 1.00 0.00 ATOM 907 CA LEU 130 11.041 9.742 44.802 1.00 0.00 ATOM 908 CB LEU 130 10.469 10.681 43.699 1.00 0.00 ATOM 909 CG LEU 130 8.985 11.101 43.595 1.00 0.00 ATOM 910 CD1 LEU 130 8.737 11.745 42.198 1.00 0.00 ATOM 911 CD2 LEU 130 7.969 9.977 43.795 1.00 0.00 ATOM 912 O LEU 130 11.850 7.836 43.604 1.00 0.00 ATOM 913 C LEU 130 12.101 8.942 44.051 1.00 0.00 ATOM 914 N LEU 131 13.202 9.604 43.765 1.00 0.00 ATOM 915 CA LEU 131 14.343 8.947 43.150 1.00 0.00 ATOM 916 CB LEU 131 15.470 9.952 42.789 1.00 0.00 ATOM 917 CG LEU 131 15.220 10.800 41.571 1.00 0.00 ATOM 918 CD1 LEU 131 16.471 11.698 41.311 1.00 0.00 ATOM 919 CD2 LEU 131 14.895 9.880 40.363 1.00 0.00 ATOM 920 O LEU 131 15.525 6.886 43.436 1.00 0.00 ATOM 921 C LEU 131 14.970 7.894 43.990 1.00 0.00 ATOM 922 N ALA 132 14.933 8.102 45.298 1.00 0.00 ATOM 923 CA ALA 132 15.415 7.088 46.232 1.00 0.00 ATOM 924 CB ALA 132 15.573 7.675 47.626 1.00 0.00 ATOM 925 O ALA 132 14.989 4.737 46.250 1.00 0.00 ATOM 926 C ALA 132 14.483 5.863 46.219 1.00 0.00 ATOM 927 N ALA 133 13.136 6.075 46.177 1.00 0.00 ATOM 928 CA ALA 133 12.141 4.988 46.031 1.00 0.00 ATOM 929 CB ALA 133 10.720 5.451 46.272 1.00 0.00 ATOM 930 O ALA 133 11.980 3.109 44.549 1.00 0.00 ATOM 931 C ALA 133 12.193 4.315 44.668 1.00 0.00 ATOM 932 N ALA 134 12.469 5.076 43.643 1.00 0.00 ATOM 933 CA ALA 134 12.398 4.565 42.270 1.00 0.00 ATOM 934 CB ALA 134 12.061 5.692 41.310 1.00 0.00 ATOM 935 O ALA 134 13.574 3.060 40.939 1.00 0.00 ATOM 936 C ALA 134 13.641 3.870 41.788 1.00 0.00 ATOM 937 N GLY 135 14.778 4.199 42.346 1.00 0.00 ATOM 938 CA GLY 135 16.070 3.746 41.878 1.00 0.00 ATOM 939 O GLY 135 16.634 1.506 41.190 1.00 0.00 ATOM 940 C GLY 135 16.236 2.264 42.076 1.00 0.00 ATOM 941 N PRO 136 15.912 1.820 43.247 1.00 0.00 ATOM 942 CA PRO 136 15.940 0.348 43.371 1.00 0.00 ATOM 943 CB PRO 136 15.556 0.139 44.818 1.00 0.00 ATOM 944 CG PRO 136 15.854 1.535 45.516 1.00 0.00 ATOM 945 CD PRO 136 15.581 2.531 44.501 1.00 0.00 ATOM 946 O PRO 136 15.167 -1.658 42.198 1.00 0.00 ATOM 947 C PRO 136 14.999 -0.431 42.396 1.00 0.00 ATOM 948 N LEU 137 14.045 0.209 41.727 1.00 0.00 ATOM 949 CA LEU 137 13.205 -0.610 40.815 1.00 0.00 ATOM 950 CB LEU 137 11.859 0.062 40.538 1.00 0.00 ATOM 951 CG LEU 137 10.902 0.397 41.706 1.00 0.00 ATOM 952 CD1 LEU 137 9.744 1.263 41.204 1.00 0.00 ATOM 953 CD2 LEU 137 10.366 -0.872 42.378 1.00 0.00 ATOM 954 O LEU 137 13.669 -1.700 38.737 1.00 0.00 ATOM 955 C LEU 137 13.975 -0.817 39.505 1.00 0.00 ATOM 956 N LEU 138 14.983 0.036 39.271 1.00 0.00 ATOM 957 CA LEU 138 15.846 -0.031 38.089 1.00 0.00 ATOM 958 CB LEU 138 16.650 1.264 37.947 1.00 0.00 ATOM 959 CG LEU 138 15.789 2.615 37.870 1.00 0.00 ATOM 960 CD1 LEU 138 16.671 3.785 37.640 1.00 0.00 ATOM 961 CD2 LEU 138 14.733 2.564 36.773 1.00 0.00 ATOM 962 O LEU 138 16.934 -1.985 37.190 1.00 0.00 ATOM 963 C LEU 138 16.736 -1.265 38.182 1.00 0.00 ATOM 964 N THR 139 17.221 -1.505 39.395 1.00 0.00 ATOM 965 CA THR 139 17.953 -2.718 39.763 1.00 0.00 ATOM 966 CB THR 139 18.362 -2.680 41.237 1.00 0.00 ATOM 967 CG2 THR 139 19.217 -3.976 41.646 1.00 0.00 ATOM 968 OG1 THR 139 19.079 -1.474 41.536 1.00 0.00 ATOM 969 O THR 139 17.487 -4.950 38.981 1.00 0.00 ATOM 970 C THR 139 17.075 -3.961 39.560 1.00 0.00 ATOM 971 N ARG 140 15.846 -3.920 40.014 1.00 0.00 ATOM 972 CA ARG 140 14.988 -5.067 39.806 1.00 0.00 ATOM 973 CB ARG 140 13.688 -4.821 40.445 1.00 0.00 ATOM 974 CG ARG 140 12.983 -6.060 40.734 1.00 0.00 ATOM 975 CD ARG 140 12.328 -5.844 42.047 1.00 0.00 ATOM 976 NE ARG 140 10.907 -5.648 41.879 1.00 0.00 ATOM 977 CZ ARG 140 10.154 -5.035 42.766 1.00 0.00 ATOM 978 NH1 ARG 140 10.704 -4.530 43.842 1.00 0.00 ATOM 979 NH2 ARG 140 8.852 -4.925 42.562 1.00 0.00 ATOM 980 O ARG 140 14.897 -6.510 37.951 1.00 0.00 ATOM 981 C ARG 140 14.766 -5.373 38.342 1.00 0.00 ATOM 982 N LEU 141 14.575 -4.353 37.501 1.00 0.00 ATOM 983 CA LEU 141 14.439 -4.589 36.057 1.00 0.00 ATOM 984 CB LEU 141 13.996 -3.321 35.346 1.00 0.00 ATOM 985 CG LEU 141 12.631 -2.705 35.749 1.00 0.00 ATOM 986 CD1 LEU 141 12.521 -1.277 35.296 1.00 0.00 ATOM 987 CD2 LEU 141 11.569 -3.593 35.112 1.00 0.00 ATOM 988 O LEU 141 15.762 -5.951 34.561 1.00 0.00 ATOM 989 C LEU 141 15.778 -5.051 35.446 1.00 0.00 ATOM 990 N ALA 142 16.906 -4.492 35.928 1.00 0.00 ATOM 991 CA ALA 142 18.233 -4.946 35.503 1.00 0.00 ATOM 992 CB ALA 142 19.374 -4.029 36.077 1.00 0.00 ATOM 993 O ALA 142 19.270 -7.000 35.058 1.00 0.00 ATOM 994 C ALA 142 18.549 -6.414 35.805 1.00 0.00 ATOM 995 N GLN 143 17.990 -6.982 36.886 1.00 0.00 ATOM 996 CA GLN 143 18.249 -8.315 37.321 1.00 0.00 ATOM 997 CB GLN 143 18.359 -8.345 38.833 1.00 0.00 ATOM 998 CG GLN 143 19.425 -7.480 39.409 1.00 0.00 ATOM 999 CD GLN 143 19.388 -7.491 40.954 1.00 0.00 ATOM 1000 OE1 GLN 143 18.378 -7.861 41.578 1.00 0.00 ATOM 1001 NE2 GLN 143 20.503 -7.098 41.571 1.00 0.00 ATOM 1002 O GLN 143 17.014 -10.337 37.390 1.00 0.00 ATOM 1003 C GLN 143 17.096 -9.230 36.930 1.00 0.00 ATOM 1004 N PHE 144 16.176 -8.754 36.102 1.00 0.00 ATOM 1005 CA PHE 144 15.051 -9.575 35.706 1.00 0.00 ATOM 1006 CB PHE 144 14.176 -8.741 34.789 1.00 0.00 ATOM 1007 CG PHE 144 13.026 -9.466 34.195 1.00 0.00 ATOM 1008 CD1 PHE 144 11.959 -9.847 34.986 1.00 0.00 ATOM 1009 CD2 PHE 144 12.987 -9.731 32.832 1.00 0.00 ATOM 1010 CE1 PHE 144 10.862 -10.495 34.433 1.00 0.00 ATOM 1011 CE2 PHE 144 11.914 -10.338 32.269 1.00 0.00 ATOM 1012 CZ PHE 144 10.827 -10.724 33.069 1.00 0.00 ATOM 1013 O PHE 144 16.363 -10.764 34.084 1.00 0.00 ATOM 1014 C PHE 144 15.494 -10.836 34.953 1.00 0.00 ATOM 1015 N GLU 145 14.866 -11.975 35.283 1.00 0.00 ATOM 1016 CA GLU 145 14.938 -13.229 34.506 1.00 0.00 ATOM 1017 CB GLU 145 15.591 -14.349 35.310 1.00 0.00 ATOM 1018 CG GLU 145 17.100 -14.484 35.105 1.00 0.00 ATOM 1019 CD GLU 145 17.563 -15.702 34.220 1.00 0.00 ATOM 1020 OE1 GLU 145 18.794 -15.768 33.988 1.00 0.00 ATOM 1021 OE2 GLU 145 16.749 -16.566 33.746 1.00 0.00 ATOM 1022 O GLU 145 12.630 -13.594 35.060 1.00 0.00 ATOM 1023 C GLU 145 13.505 -13.624 34.176 1.00 0.00 ATOM 1024 N GLU 146 13.260 -13.933 32.906 1.00 0.00 ATOM 1025 CA GLU 146 11.913 -14.346 32.452 1.00 0.00 ATOM 1026 CB GLU 146 11.455 -13.549 31.204 1.00 0.00 ATOM 1027 CG GLU 146 12.591 -13.120 30.212 1.00 0.00 ATOM 1028 CD GLU 146 12.047 -12.533 28.877 1.00 0.00 ATOM 1029 OE1 GLU 146 10.845 -12.090 28.826 1.00 0.00 ATOM 1030 OE2 GLU 146 12.845 -12.519 27.891 1.00 0.00 ATOM 1031 O GLU 146 12.201 -16.195 31.026 1.00 0.00 ATOM 1032 C GLU 146 11.865 -15.821 32.138 1.00 0.00 ENDMDL # command:# Prefix for output files set to decoys/ # command:# request to SCWRL produces command: ulimit -t 133 ; scwrl3 -i /var/tmp/to_scwrl_1224919143.pdb -s /var/tmp/to_scwrl_1224919143.seq -o /var/tmp/from_scwrl_1224919143.pdb > /var/tmp/scwrl_1224919143.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1224919143.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 120 # copying to AlignedFragments data structure # command:Warning: Couldn't open file decoys/model2.gdt for output # fraction of real conformation used = 1.000 # GDT_score = -54.137 # GDT_score(maxd=8.000,maxw=2.900)= -55.161 # GDT_score(maxd=8.000,maxw=3.200)= -53.172 # GDT_score(maxd=8.000,maxw=3.500)= -51.010 # GDT_score(maxd=10.000,maxw=3.800)= -53.010 # GDT_score(maxd=10.000,maxw=4.000)= -51.539 # GDT_score(maxd=10.000,maxw=4.200)= -50.025 # GDT_score(maxd=12.000,maxw=4.300)= -52.812 # GDT_score(maxd=12.000,maxw=4.500)= -51.303 # GDT_score(maxd=12.000,maxw=4.700)= -49.786 # GDT_score(maxd=14.000,maxw=5.200)= -49.129 # GDT_score(maxd=14.000,maxw=5.500)= -47.057 # command:# request to SCWRL produces command: ulimit -t 133 ; scwrl3 -i /var/tmp/to_scwrl_972560735.pdb -s /var/tmp/to_scwrl_972560735.seq -o /var/tmp/from_scwrl_972560735.pdb > /var/tmp/scwrl_972560735.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_972560735.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 123 # 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 = -48.022 # GDT_score(maxd=8.000,maxw=2.900)= -49.421 # GDT_score(maxd=8.000,maxw=3.200)= -47.101 # GDT_score(maxd=8.000,maxw=3.500)= -44.920 # GDT_score(maxd=10.000,maxw=3.800)= -47.095 # GDT_score(maxd=10.000,maxw=4.000)= -45.675 # GDT_score(maxd=10.000,maxw=4.200)= -44.288 # GDT_score(maxd=12.000,maxw=4.300)= -46.964 # GDT_score(maxd=12.000,maxw=4.500)= -45.589 # GDT_score(maxd=12.000,maxw=4.700)= -44.243 # GDT_score(maxd=14.000,maxw=5.200)= -43.724 # GDT_score(maxd=14.000,maxw=5.500)= -41.896 # command:# request to SCWRL produces command: ulimit -t 133 ; scwrl3 -i /var/tmp/to_scwrl_1625082955.pdb -s /var/tmp/to_scwrl_1625082955.seq -o /var/tmp/from_scwrl_1625082955.pdb > /var/tmp/scwrl_1625082955.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1625082955.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 # WARNING: incomplete conformation T0373 can't currently be optimized by undertaker # command:Warning: Couldn't open file decoys/model4.gdt for output # fraction of real conformation used = 0.906 # GDT_score = -60.612 # GDT_score(maxd=8.000,maxw=2.900)= -62.598 # GDT_score(maxd=8.000,maxw=3.200)= -59.357 # GDT_score(maxd=8.000,maxw=3.500)= -56.297 # GDT_score(maxd=10.000,maxw=3.800)= -59.403 # GDT_score(maxd=10.000,maxw=4.000)= -57.490 # GDT_score(maxd=10.000,maxw=4.200)= -55.611 # GDT_score(maxd=12.000,maxw=4.300)= -59.184 # GDT_score(maxd=12.000,maxw=4.500)= -57.344 # GDT_score(maxd=12.000,maxw=4.700)= -55.601 # GDT_score(maxd=14.000,maxw=5.200)= -54.866 # GDT_score(maxd=14.000,maxw=5.500)= -52.502 # command:# request to SCWRL produces command: ulimit -t 133 ; scwrl3 -i /var/tmp/to_scwrl_177915450.pdb -s /var/tmp/to_scwrl_177915450.seq -o /var/tmp/from_scwrl_177915450.pdb > /var/tmp/scwrl_177915450.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_177915450.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 # WARNING: incomplete conformation T0373 can't currently be optimized by undertaker # command:Warning: Couldn't open file decoys/model5.gdt for output # fraction of real conformation used = 0.763 # GDT_score = -51.259 # GDT_score(maxd=8.000,maxw=2.900)= -51.605 # GDT_score(maxd=8.000,maxw=3.200)= -49.418 # GDT_score(maxd=8.000,maxw=3.500)= -47.287 # GDT_score(maxd=10.000,maxw=3.800)= -49.886 # GDT_score(maxd=10.000,maxw=4.000)= -48.463 # GDT_score(maxd=10.000,maxw=4.200)= -47.037 # GDT_score(maxd=12.000,maxw=4.300)= -49.917 # GDT_score(maxd=12.000,maxw=4.500)= -48.490 # GDT_score(maxd=12.000,maxw=4.700)= -47.000 # GDT_score(maxd=14.000,maxw=5.200)= -46.281 # GDT_score(maxd=14.000,maxw=5.500)= -44.190 # command:# request to SCWRL produces command: ulimit -t 133 ; scwrl3 -i /var/tmp/to_scwrl_1361889257.pdb -s /var/tmp/to_scwrl_1361889257.seq -o /var/tmp/from_scwrl_1361889257.pdb > /var/tmp/scwrl_1361889257.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1361889257.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 T0373.try1-opt2.pdb looking for model 1 # Found a chain break before 122 # 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 = -55.396 # GDT_score(maxd=8.000,maxw=2.900)= -56.488 # GDT_score(maxd=8.000,maxw=3.200)= -53.789 # GDT_score(maxd=8.000,maxw=3.500)= -51.115 # GDT_score(maxd=10.000,maxw=3.800)= -53.814 # GDT_score(maxd=10.000,maxw=4.000)= -52.089 # GDT_score(maxd=10.000,maxw=4.200)= -50.402 # GDT_score(maxd=12.000,maxw=4.300)= -54.191 # GDT_score(maxd=12.000,maxw=4.500)= -52.496 # GDT_score(maxd=12.000,maxw=4.700)= -50.832 # GDT_score(maxd=14.000,maxw=5.200)= -50.627 # GDT_score(maxd=14.000,maxw=5.500)= -48.416 # command:# Prefix for output files set to # command:Warning: Couldn't open file T0373.try1-real.pdb for output Error: Couldn't open file T0373.try1-real.pdb for output superimposing iter= 0 total_weight= 1588 rmsd (weighted)= 8.2267 (unweighted)= 20.7882 superimposing iter= 1 total_weight= 3572.29 rmsd (weighted)= 3.85465 (unweighted)= 21.0955 superimposing iter= 2 total_weight= 2123 rmsd (weighted)= 2.53453 (unweighted)= 21.2961 superimposing iter= 3 total_weight= 1488.15 rmsd (weighted)= 2.01406 (unweighted)= 21.4894 superimposing iter= 4 total_weight= 1322.77 rmsd (weighted)= 1.71294 (unweighted)= 21.6829 superimposing iter= 5 total_weight= 1233.74 rmsd (weighted)= 1.52312 (unweighted)= 21.8569 EXPDTA T0373.try1-opt2.pdb MODEL 1 REMARK 44 REMARK 44 model 1 is called T0373.try1-opt2.pdb ATOM 1 N MET A 1 35.179 6.098 16.923 1.00 0.00 ATOM 2 CA MET A 1 35.171 4.864 17.736 1.00 0.00 ATOM 3 CB MET A 1 36.020 5.049 18.996 1.00 0.00 ATOM 4 CG MET A 1 36.208 3.777 19.807 1.00 0.00 ATOM 5 SD MET A 1 37.208 4.037 21.286 1.00 0.00 ATOM 6 CE MET A 1 38.840 4.198 20.566 1.00 0.00 ATOM 7 O MET A 1 32.943 5.368 18.548 1.00 0.00 ATOM 8 C MET A 1 33.736 4.518 18.159 1.00 0.00 ATOM 9 N PRO A 2 33.429 3.234 18.109 1.00 0.00 ATOM 10 CA PRO A 2 32.131 2.699 18.537 1.00 0.00 ATOM 11 CB PRO A 2 32.374 1.194 18.659 1.00 0.00 ATOM 12 CG PRO A 2 33.446 0.906 17.663 1.00 0.00 ATOM 13 CD PRO A 2 34.401 2.065 17.731 1.00 0.00 ATOM 14 O PRO A 2 30.387 3.410 20.005 1.00 0.00 ATOM 15 C PRO A 2 31.598 3.215 19.861 1.00 0.00 ATOM 16 N THR A 3 32.491 3.387 20.872 1.00 0.00 ATOM 17 CA THR A 3 32.005 3.854 22.177 1.00 0.00 ATOM 18 CB THR A 3 33.154 3.820 23.202 1.00 0.00 ATOM 19 CG2 THR A 3 32.655 4.250 24.574 1.00 0.00 ATOM 20 OG1 THR A 3 33.675 2.487 23.295 1.00 0.00 ATOM 21 O THR A 3 30.325 5.539 22.682 1.00 0.00 ATOM 22 C THR A 3 31.421 5.284 22.155 1.00 0.00 ATOM 23 N ASN A 4 32.129 6.223 21.580 1.00 0.00 ATOM 24 CA ASN A 4 31.630 7.575 21.484 1.00 0.00 ATOM 25 CB ASN A 4 32.641 8.474 20.771 1.00 0.00 ATOM 26 CG ASN A 4 33.850 8.785 21.632 1.00 0.00 ATOM 27 ND2 ASN A 4 34.940 9.195 20.994 1.00 0.00 ATOM 28 OD1 ASN A 4 33.803 8.659 22.856 1.00 0.00 ATOM 29 O ASN A 4 29.389 8.339 21.002 1.00 0.00 ATOM 30 C ASN A 4 30.331 7.611 20.673 1.00 0.00 ATOM 31 N GLN A 5 30.332 6.818 19.632 1.00 0.00 ATOM 32 CA GLN A 5 29.154 6.733 18.779 1.00 0.00 ATOM 33 CB GLN A 5 29.417 5.746 17.639 1.00 0.00 ATOM 34 CG GLN A 5 30.426 6.238 16.613 1.00 0.00 ATOM 35 CD GLN A 5 30.746 5.193 15.563 1.00 0.00 ATOM 36 OE1 GLN A 5 30.282 4.056 15.644 1.00 0.00 ATOM 37 NE2 GLN A 5 31.542 5.576 14.572 1.00 0.00 ATOM 38 O GLN A 5 26.860 6.813 19.483 1.00 0.00 ATOM 39 C GLN A 5 27.953 6.253 19.585 1.00 0.00 ATOM 40 N ASP A 6 28.136 5.214 20.413 1.00 0.00 ATOM 41 CA ASP A 6 27.059 4.685 21.234 1.00 0.00 ATOM 42 CB ASP A 6 27.446 3.479 22.023 1.00 0.00 ATOM 43 CG ASP A 6 27.621 2.236 21.143 1.00 0.00 ATOM 44 OD1 ASP A 6 27.244 2.246 19.952 1.00 0.00 ATOM 45 OD2 ASP A 6 28.257 1.275 21.653 1.00 0.00 ATOM 46 O ASP A 6 25.402 5.792 22.557 1.00 0.00 ATOM 47 C ASP A 6 26.584 5.720 22.251 1.00 0.00 ATOM 48 N LEU A 7 27.516 6.502 22.794 1.00 0.00 ATOM 49 CA LEU A 7 27.165 7.521 23.778 1.00 0.00 ATOM 50 CB LEU A 7 28.433 8.127 24.389 1.00 0.00 ATOM 51 CG LEU A 7 29.229 7.171 25.286 1.00 0.00 ATOM 52 CD1 LEU A 7 30.536 7.824 25.695 1.00 0.00 ATOM 53 CD2 LEU A 7 28.401 6.801 26.518 1.00 0.00 ATOM 54 O LEU A 7 25.415 9.160 23.856 1.00 0.00 ATOM 55 C LEU A 7 26.294 8.624 23.180 1.00 0.00 ATOM 56 N GLN A 8 26.532 8.973 21.925 1.00 0.00 ATOM 57 CA GLN A 8 25.753 10.010 21.239 1.00 0.00 ATOM 58 CB GLN A 8 26.281 10.224 19.819 1.00 0.00 ATOM 59 CG GLN A 8 27.640 10.900 19.757 1.00 0.00 ATOM 60 CD GLN A 8 28.188 10.974 18.345 1.00 0.00 ATOM 61 OE1 GLN A 8 27.590 10.450 17.407 1.00 0.00 ATOM 62 NE2 GLN A 8 29.334 11.629 18.191 1.00 0.00 ATOM 63 O GLN A 8 23.402 10.307 21.568 1.00 0.00 ATOM 64 C GLN A 8 24.286 9.572 21.172 1.00 0.00 ATOM 65 N LEU A 9 24.054 8.360 20.678 1.00 0.00 ATOM 66 CA LEU A 9 22.715 7.833 20.515 1.00 0.00 ATOM 67 CB LEU A 9 22.761 6.448 19.868 1.00 0.00 ATOM 68 CG LEU A 9 21.412 5.758 19.650 1.00 0.00 ATOM 69 CD1 LEU A 9 20.538 6.573 18.709 1.00 0.00 ATOM 70 CD2 LEU A 9 21.607 4.377 19.041 1.00 0.00 ATOM 71 O LEU A 9 20.838 8.068 21.937 1.00 0.00 ATOM 72 C LEU A 9 22.003 7.704 21.834 1.00 0.00 ATOM 73 N ALA A 10 22.691 7.145 22.837 1.00 0.00 ATOM 74 CA ALA A 10 22.118 6.963 24.136 1.00 0.00 ATOM 75 CB ALA A 10 23.125 6.312 25.072 1.00 0.00 ATOM 76 O ALA A 10 20.635 8.424 25.360 1.00 0.00 ATOM 77 C ALA A 10 21.703 8.303 24.731 1.00 0.00 ATOM 78 N ALA A 11 22.522 9.332 24.558 1.00 0.00 ATOM 79 CA ALA A 11 22.187 10.637 25.063 1.00 0.00 ATOM 80 CB ALA A 11 23.364 11.585 24.902 1.00 0.00 ATOM 81 O ALA A 11 20.134 11.835 24.955 1.00 0.00 ATOM 82 C ALA A 11 20.990 11.219 24.332 1.00 0.00 ATOM 83 N HIS A 12 20.901 11.045 23.013 1.00 0.00 ATOM 84 CA HIS A 12 19.791 11.588 22.233 1.00 0.00 ATOM 85 CB HIS A 12 19.969 11.264 20.749 1.00 0.00 ATOM 86 CG HIS A 12 18.881 11.805 19.876 1.00 0.00 ATOM 87 CD2 HIS A 12 17.763 11.237 19.139 1.00 0.00 ATOM 88 ND1 HIS A 12 18.754 13.148 19.593 1.00 0.00 ATOM 89 CE1 HIS A 12 17.689 13.325 18.790 1.00 0.00 ATOM 90 NE2 HIS A 12 17.090 12.183 18.513 1.00 0.00 ATOM 91 O HIS A 12 17.485 11.777 22.871 1.00 0.00 ATOM 92 C HIS A 12 18.466 11.032 22.671 1.00 0.00 ATOM 93 N LEU A 13 18.391 9.732 22.896 1.00 0.00 ATOM 94 CA LEU A 13 17.141 9.124 23.345 1.00 0.00 ATOM 95 CB LEU A 13 17.312 7.614 23.523 1.00 0.00 ATOM 96 CG LEU A 13 17.502 6.798 22.244 1.00 0.00 ATOM 97 CD1 LEU A 13 17.841 5.353 22.573 1.00 0.00 ATOM 98 CD2 LEU A 13 16.232 6.810 21.406 1.00 0.00 ATOM 99 O LEU A 13 15.412 9.709 24.915 1.00 0.00 ATOM 100 C LEU A 13 16.616 9.648 24.674 1.00 0.00 ATOM 101 N ARG A 14 17.585 9.922 25.646 1.00 0.00 ATOM 102 CA ARG A 14 17.186 10.447 26.947 1.00 0.00 ATOM 103 CB ARG A 14 17.729 9.508 28.026 1.00 0.00 ATOM 104 CG ARG A 14 17.103 8.123 28.016 1.00 0.00 ATOM 105 CD ARG A 14 17.678 7.249 29.119 1.00 0.00 ATOM 106 NE ARG A 14 17.046 5.931 29.159 1.00 0.00 ATOM 107 CZ ARG A 14 17.416 4.950 29.975 1.00 0.00 ATOM 108 NH1 ARG A 14 16.783 3.785 29.941 1.00 0.00 ATOM 109 NH2 ARG A 14 18.419 5.135 30.822 1.00 0.00 ATOM 110 O ARG A 14 18.903 12.107 27.112 1.00 0.00 ATOM 111 C ARG A 14 17.713 11.844 27.247 1.00 0.00 ATOM 112 N SER A 15 16.782 12.701 27.684 1.00 0.00 ATOM 113 CA SER A 15 17.161 14.069 28.003 1.00 0.00 ATOM 114 CB SER A 15 15.923 14.903 28.339 1.00 0.00 ATOM 115 OG SER A 15 15.089 15.060 27.204 1.00 0.00 ATOM 116 O SER A 15 19.000 14.906 29.257 1.00 0.00 ATOM 117 C SER A 15 18.098 14.098 29.207 1.00 0.00 ATOM 118 N GLN A 16 17.874 13.233 30.191 1.00 0.00 ATOM 119 CA GLN A 16 18.730 13.229 31.380 1.00 0.00 ATOM 120 CB GLN A 16 18.187 12.255 32.428 1.00 0.00 ATOM 121 CG GLN A 16 16.889 12.703 33.078 1.00 0.00 ATOM 122 CD GLN A 16 16.322 11.665 34.027 1.00 0.00 ATOM 123 OE1 GLN A 16 16.843 10.555 34.131 1.00 0.00 ATOM 124 NE2 GLN A 16 15.249 12.023 34.723 1.00 0.00 ATOM 125 O GLN A 16 21.133 13.391 31.367 1.00 0.00 ATOM 126 C GLN A 16 20.137 12.784 30.975 1.00 0.00 ATOM 127 N VAL A 17 20.217 11.723 30.184 1.00 0.00 ATOM 128 CA VAL A 17 21.497 11.202 29.733 1.00 0.00 ATOM 129 CB VAL A 17 21.254 9.807 29.024 1.00 0.00 ATOM 130 CG1 VAL A 17 22.520 9.375 28.273 1.00 0.00 ATOM 131 CG2 VAL A 17 20.857 8.746 30.049 1.00 0.00 ATOM 132 O VAL A 17 23.439 12.318 28.945 1.00 0.00 ATOM 133 C VAL A 17 22.204 12.169 28.801 1.00 0.00 ATOM 134 N THR A 18 21.500 12.884 27.935 1.00 0.00 ATOM 135 CA THR A 18 22.104 13.954 27.143 1.00 0.00 ATOM 136 CB THR A 18 21.034 14.794 26.422 1.00 0.00 ATOM 137 CG2 THR A 18 21.681 15.931 25.646 1.00 0.00 ATOM 138 OG1 THR A 18 20.308 13.963 25.508 1.00 0.00 ATOM 139 O THR A 18 23.833 15.573 27.450 1.00 0.00 ATOM 140 C THR A 18 22.918 14.949 27.960 1.00 0.00 ATOM 141 N THR A 19 22.559 15.119 29.229 1.00 0.00 ATOM 142 CA THR A 19 23.252 16.042 30.128 1.00 0.00 ATOM 143 CB THR A 19 22.146 16.707 31.063 1.00 0.00 ATOM 144 CG2 THR A 19 22.775 17.679 32.044 1.00 0.00 ATOM 145 OG1 THR A 19 21.174 17.396 30.269 1.00 0.00 ATOM 146 O THR A 19 25.441 16.060 31.122 1.00 0.00 ATOM 147 C THR A 19 24.443 15.390 30.836 1.00 0.00 ATOM 148 N LEU A 20 24.328 14.103 31.150 1.00 0.00 ATOM 149 CA LEU A 20 25.313 13.430 31.994 1.00 0.00 ATOM 150 CB LEU A 20 24.619 12.421 32.910 1.00 0.00 ATOM 151 CG LEU A 20 23.609 12.992 33.908 1.00 0.00 ATOM 152 CD1 LEU A 20 22.905 11.874 34.662 1.00 0.00 ATOM 153 CD2 LEU A 20 24.305 13.884 34.924 1.00 0.00 ATOM 154 O LEU A 20 27.509 12.643 31.536 1.00 0.00 ATOM 155 C LEU A 20 26.341 12.685 31.162 1.00 0.00 ATOM 156 N THR A 21 25.888 12.120 30.037 1.00 0.00 ATOM 157 CA THR A 21 26.836 11.385 29.172 1.00 0.00 ATOM 158 CB THR A 21 26.118 10.728 27.978 1.00 0.00 ATOM 159 CG2 THR A 21 27.118 10.011 27.084 1.00 0.00 ATOM 160 OG1 THR A 21 25.160 9.776 28.459 1.00 0.00 ATOM 161 O THR A 21 29.085 11.977 28.644 1.00 0.00 ATOM 162 C THR A 21 27.914 12.313 28.654 1.00 0.00 ATOM 163 N ARG A 22 27.527 13.525 28.232 1.00 0.00 ATOM 164 CA ARG A 22 28.513 14.507 27.766 1.00 0.00 ATOM 165 CB ARG A 22 27.775 15.783 27.329 1.00 0.00 ATOM 166 CG ARG A 22 26.884 15.611 26.131 1.00 0.00 ATOM 167 CD ARG A 22 26.060 16.836 25.821 1.00 0.00 ATOM 168 NE ARG A 22 25.030 16.534 24.841 1.00 0.00 ATOM 169 CZ ARG A 22 24.174 17.414 24.384 1.00 0.00 ATOM 170 NH1 ARG A 22 24.222 18.683 24.787 1.00 0.00 ATOM 171 NH2 ARG A 22 23.258 17.026 23.500 1.00 0.00 ATOM 172 O ARG A 22 30.739 14.860 28.557 1.00 0.00 ATOM 173 C ARG A 22 29.548 14.804 28.836 1.00 0.00 ATOM 174 N ARG A 23 29.095 15.038 30.078 1.00 0.00 ATOM 175 CA ARG A 23 29.996 15.329 31.172 1.00 0.00 ATOM 176 CB ARG A 23 29.208 15.655 32.443 1.00 0.00 ATOM 177 CG ARG A 23 30.077 15.963 33.651 1.00 0.00 ATOM 178 CD ARG A 23 30.918 17.208 33.423 1.00 0.00 ATOM 179 NE ARG A 23 31.718 17.551 34.597 1.00 0.00 ATOM 180 CZ ARG A 23 32.678 18.469 34.603 1.00 0.00 ATOM 181 NH1 ARG A 23 33.354 18.714 35.718 1.00 0.00 ATOM 182 NH2 ARG A 23 32.961 19.142 33.495 1.00 0.00 ATOM 183 O ARG A 23 32.117 14.338 31.651 1.00 0.00 ATOM 184 C ARG A 23 30.924 14.155 31.435 1.00 0.00 ATOM 185 N LEU A 24 30.380 12.932 31.427 1.00 0.00 ATOM 186 CA LEU A 24 31.192 11.742 31.671 1.00 0.00 ATOM 187 CB LEU A 24 30.283 10.511 31.733 1.00 0.00 ATOM 188 CG LEU A 24 29.329 10.451 32.930 1.00 0.00 ATOM 189 CD1 LEU A 24 28.491 9.193 32.850 1.00 0.00 ATOM 190 CD2 LEU A 24 30.128 10.470 34.229 1.00 0.00 ATOM 191 O LEU A 24 33.384 11.103 30.939 1.00 0.00 ATOM 192 C LEU A 24 32.269 11.519 30.618 1.00 0.00 ATOM 193 N ARG A 25 31.939 11.790 29.360 1.00 0.00 ATOM 194 CA ARG A 25 32.898 11.605 28.279 1.00 0.00 ATOM 195 CB ARG A 25 32.226 11.889 26.935 1.00 0.00 ATOM 196 CG ARG A 25 33.156 11.842 25.737 1.00 0.00 ATOM 197 CD ARG A 25 32.338 11.800 24.460 1.00 0.00 ATOM 198 NE ARG A 25 31.205 12.719 24.526 1.00 0.00 ATOM 199 CZ ARG A 25 30.189 12.721 23.670 1.00 0.00 ATOM 200 NH1 ARG A 25 30.159 11.849 22.672 1.00 0.00 ATOM 201 NH2 ARG A 25 29.201 13.592 23.816 1.00 0.00 ATOM 202 O ARG A 25 35.242 12.107 28.259 1.00 0.00 ATOM 203 C ARG A 25 34.101 12.517 28.475 1.00 0.00 ATOM 204 N ARG A 26 33.839 13.751 28.894 1.00 0.00 ATOM 205 CA ARG A 26 34.905 14.716 29.132 1.00 0.00 ATOM 206 CB ARG A 26 34.305 16.089 29.472 1.00 0.00 ATOM 207 CG ARG A 26 35.320 17.221 29.606 1.00 0.00 ATOM 208 CD ARG A 26 36.105 17.141 30.909 1.00 0.00 ATOM 209 NE ARG A 26 37.206 18.102 30.952 1.00 0.00 ATOM 210 CZ ARG A 26 38.263 18.065 30.147 1.00 0.00 ATOM 211 NH1 ARG A 26 38.373 17.113 29.229 1.00 0.00 ATOM 212 NH2 ARG A 26 39.214 18.982 30.259 1.00 0.00 ATOM 213 O ARG A 26 37.001 14.185 30.183 1.00 0.00 ATOM 214 C ARG A 26 35.772 14.219 30.283 1.00 0.00 ATOM 215 N GLU A 27 35.117 13.827 31.352 1.00 0.00 ATOM 216 CA GLU A 27 35.825 13.329 32.526 1.00 0.00 ATOM 217 CB GLU A 27 34.811 13.023 33.632 1.00 0.00 ATOM 218 CG GLU A 27 34.090 14.245 34.180 1.00 0.00 ATOM 219 CD GLU A 27 35.038 15.242 34.820 1.00 0.00 ATOM 220 OE1 GLU A 27 35.794 14.842 35.727 1.00 0.00 ATOM 221 OE2 GLU A 27 35.026 16.425 34.414 1.00 0.00 ATOM 222 O GLU A 27 37.789 11.985 32.758 1.00 0.00 ATOM 223 C GLU A 27 36.673 12.096 32.266 1.00 0.00 ATOM 224 N ALA A 28 36.086 11.118 31.525 1.00 0.00 ATOM 225 CA ALA A 28 36.789 9.883 31.215 1.00 0.00 ATOM 226 CB ALA A 28 35.918 8.948 30.390 1.00 0.00 ATOM 227 O ALA A 28 39.110 9.571 30.693 1.00 0.00 ATOM 228 C ALA A 28 38.057 10.148 30.409 1.00 0.00 ATOM 229 N GLN A 29 37.941 11.010 29.413 1.00 0.00 ATOM 230 CA GLN A 29 39.085 11.324 28.571 1.00 0.00 ATOM 231 CB GLN A 29 38.661 12.182 27.377 1.00 0.00 ATOM 232 CG GLN A 29 37.851 11.432 26.331 1.00 0.00 ATOM 233 CD GLN A 29 37.352 12.338 25.221 1.00 0.00 ATOM 234 OE1 GLN A 29 37.534 13.553 25.272 1.00 0.00 ATOM 235 NE2 GLN A 29 36.723 11.745 24.214 1.00 0.00 ATOM 236 O GLN A 29 41.341 11.769 29.294 1.00 0.00 ATOM 237 C GLN A 29 40.147 12.049 29.410 1.00 0.00 ATOM 238 N ALA A 30 39.711 12.966 30.253 1.00 0.00 ATOM 239 CA ALA A 30 40.636 13.702 31.112 1.00 0.00 ATOM 240 CB ALA A 30 39.888 14.780 31.882 1.00 0.00 ATOM 241 O ALA A 30 42.483 12.917 32.412 1.00 0.00 ATOM 242 C ALA A 30 41.306 12.755 32.109 1.00 0.00 ATOM 243 N ASP A 31 40.565 11.784 32.638 1.00 0.00 ATOM 244 CA ASP A 31 41.166 10.759 33.491 1.00 0.00 ATOM 245 CB ASP A 31 40.251 10.316 34.556 1.00 0.00 ATOM 246 CG ASP A 31 40.496 11.239 35.771 1.00 0.00 ATOM 247 OD1 ASP A 31 41.446 12.065 35.793 1.00 0.00 ATOM 248 OD2 ASP A 31 39.652 11.135 36.662 1.00 0.00 ATOM 249 O ASP A 31 40.295 9.734 31.494 1.00 0.00 ATOM 250 C ASP A 31 41.298 9.957 32.180 1.00 0.00 ATOM 251 N PRO A 32 42.465 9.619 31.774 1.00 0.00 ATOM 252 CA PRO A 32 42.725 8.941 30.497 1.00 0.00 ATOM 253 CB PRO A 32 44.253 9.021 30.412 1.00 0.00 ATOM 254 CG PRO A 32 44.700 8.901 31.853 1.00 0.00 ATOM 255 CD PRO A 32 43.630 9.541 32.689 1.00 0.00 ATOM 256 O PRO A 32 43.162 6.571 30.244 1.00 0.00 ATOM 257 C PRO A 32 42.295 7.467 30.387 1.00 0.00 ATOM 258 N VAL A 33 40.983 7.234 30.516 1.00 0.00 ATOM 259 CA VAL A 33 40.377 5.922 30.388 1.00 0.00 ATOM 260 CB VAL A 33 39.852 5.325 31.708 1.00 0.00 ATOM 261 CG1 VAL A 33 40.996 5.124 32.691 1.00 0.00 ATOM 262 CG2 VAL A 33 38.831 6.256 32.343 1.00 0.00 ATOM 263 O VAL A 33 38.638 7.037 29.158 1.00 0.00 ATOM 264 C VAL A 33 39.252 5.985 29.365 1.00 0.00 ATOM 265 N GLN A 34 38.971 4.849 28.712 1.00 0.00 ATOM 266 CA GLN A 34 37.892 4.757 27.744 1.00 0.00 ATOM 267 CB GLN A 34 38.326 4.004 26.484 1.00 0.00 ATOM 268 CG GLN A 34 39.481 4.654 25.741 1.00 0.00 ATOM 269 CD GLN A 34 39.145 6.046 25.244 1.00 0.00 ATOM 270 OE1 GLN A 34 38.143 6.245 24.558 1.00 0.00 ATOM 271 NE2 GLN A 34 39.983 7.016 25.592 1.00 0.00 ATOM 272 O GLN A 34 36.867 3.387 29.444 1.00 0.00 ATOM 273 C GLN A 34 36.727 3.989 28.381 1.00 0.00 ATOM 274 N PHE A 35 35.597 3.920 27.770 1.00 0.00 ATOM 275 CA PHE A 35 34.493 3.123 28.311 1.00 0.00 ATOM 276 CB PHE A 35 33.336 3.114 27.310 1.00 0.00 ATOM 277 CG PHE A 35 32.188 2.235 27.716 1.00 0.00 ATOM 278 CD1 PHE A 35 31.249 2.677 28.630 1.00 0.00 ATOM 279 CD2 PHE A 35 32.049 0.965 27.184 1.00 0.00 ATOM 280 CE1 PHE A 35 30.193 1.868 29.005 1.00 0.00 ATOM 281 CE2 PHE A 35 30.993 0.156 27.559 1.00 0.00 ATOM 282 CZ PHE A 35 30.067 0.602 28.465 1.00 0.00 ATOM 283 O PHE A 35 34.581 1.088 29.588 1.00 0.00 ATOM 284 C PHE A 35 34.886 1.655 28.540 1.00 0.00 ATOM 285 N SER A 36 35.541 1.052 27.551 1.00 0.00 ATOM 286 CA SER A 36 35.963 -0.350 27.673 1.00 0.00 ATOM 287 CB SER A 36 36.664 -0.810 26.393 1.00 0.00 ATOM 288 OG SER A 36 35.765 -0.833 25.299 1.00 0.00 ATOM 289 O SER A 36 36.756 -1.514 29.623 1.00 0.00 ATOM 290 C SER A 36 36.917 -0.572 28.844 1.00 0.00 ATOM 291 N GLN A 37 37.911 0.298 28.966 1.00 0.00 ATOM 292 CA GLN A 37 38.830 0.235 30.092 1.00 0.00 ATOM 293 CB GLN A 37 39.903 1.302 29.976 1.00 0.00 ATOM 294 CG GLN A 37 40.894 1.271 31.147 1.00 0.00 ATOM 295 CD GLN A 37 41.944 2.349 30.940 1.00 0.00 ATOM 296 OE1 GLN A 37 41.663 3.387 30.320 1.00 0.00 ATOM 297 NE2 GLN A 37 43.134 2.084 31.479 1.00 0.00 ATOM 298 O GLN A 37 38.377 -0.194 32.412 1.00 0.00 ATOM 299 C GLN A 37 38.136 0.510 31.429 1.00 0.00 ATOM 300 N LEU A 38 37.253 1.570 31.489 1.00 0.00 ATOM 301 CA LEU A 38 36.629 2.013 32.724 1.00 0.00 ATOM 302 CB LEU A 38 35.985 3.387 32.536 1.00 0.00 ATOM 303 CG LEU A 38 35.311 3.995 33.768 1.00 0.00 ATOM 304 CD1 LEU A 38 36.319 4.189 34.891 1.00 0.00 ATOM 305 CD2 LEU A 38 34.704 5.350 33.436 1.00 0.00 ATOM 306 O LEU A 38 35.446 0.776 34.394 1.00 0.00 ATOM 307 C LEU A 38 35.537 1.062 33.202 1.00 0.00 ATOM 308 N VAL A 39 34.754 0.539 32.266 1.00 0.00 ATOM 309 CA VAL A 39 33.722 -0.411 32.605 1.00 0.00 ATOM 310 CB VAL A 39 32.946 -0.871 31.358 1.00 0.00 ATOM 311 CG1 VAL A 39 32.005 -2.012 31.706 1.00 0.00 ATOM 312 CG2 VAL A 39 32.122 0.275 30.791 1.00 0.00 ATOM 313 O VAL A 39 33.747 -2.174 34.232 1.00 0.00 ATOM 314 C VAL A 39 34.304 -1.657 33.263 1.00 0.00 ATOM 315 N VAL A 40 35.441 -2.142 32.744 1.00 0.00 ATOM 316 CA VAL A 40 36.078 -3.319 33.324 1.00 0.00 ATOM 317 CB VAL A 40 37.379 -3.665 32.540 1.00 0.00 ATOM 318 CG1 VAL A 40 38.186 -4.774 33.224 1.00 0.00 ATOM 319 CG2 VAL A 40 37.049 -4.059 31.100 1.00 0.00 ATOM 320 O VAL A 40 36.191 -3.987 35.649 1.00 0.00 ATOM 321 C VAL A 40 36.421 -3.111 34.810 1.00 0.00 ATOM 322 N LEU A 41 36.962 -1.956 35.158 1.00 0.00 ATOM 323 CA LEU A 41 37.278 -1.640 36.529 1.00 0.00 ATOM 324 CB LEU A 41 38.110 -0.299 36.543 1.00 0.00 ATOM 325 CG LEU A 41 39.380 -0.166 35.708 1.00 0.00 ATOM 326 CD1 LEU A 41 39.876 1.262 35.814 1.00 0.00 ATOM 327 CD2 LEU A 41 40.427 -1.156 36.182 1.00 0.00 ATOM 328 O LEU A 41 35.994 -2.258 38.460 1.00 0.00 ATOM 329 C LEU A 41 36.013 -1.687 37.361 1.00 0.00 ATOM 330 N GLY A 42 34.915 -1.084 36.844 1.00 0.00 ATOM 331 CA GLY A 42 33.633 -1.087 37.575 1.00 0.00 ATOM 332 O GLY A 42 32.491 -2.770 38.836 1.00 0.00 ATOM 333 C GLY A 42 32.973 -2.455 37.755 1.00 0.00 ATOM 334 N ALA A 43 32.953 -3.254 36.693 1.00 0.00 ATOM 335 CA ALA A 43 32.545 -4.663 36.783 1.00 0.00 ATOM 336 CB ALA A 43 32.647 -5.332 35.422 1.00 0.00 ATOM 337 O ALA A 43 32.980 -6.286 38.492 1.00 0.00 ATOM 338 C ALA A 43 33.443 -5.438 37.735 1.00 0.00 ATOM 339 N ILE A 44 34.767 -5.136 37.700 1.00 0.00 ATOM 340 CA ILE A 44 35.742 -5.805 38.559 1.00 0.00 ATOM 341 CB ILE A 44 37.197 -5.405 38.173 1.00 0.00 ATOM 342 CG1 ILE A 44 37.542 -5.922 36.778 1.00 0.00 ATOM 343 CG2 ILE A 44 38.190 -5.959 39.190 1.00 0.00 ATOM 344 CD1 ILE A 44 38.913 -5.500 36.291 1.00 0.00 ATOM 345 O ILE A 44 35.540 -6.412 40.869 1.00 0.00 ATOM 346 C ILE A 44 35.481 -5.521 40.033 1.00 0.00 ATOM 347 N ASP A 45 35.188 -4.261 40.332 1.00 0.00 ATOM 348 CA ASP A 45 34.907 -3.855 41.712 1.00 0.00 ATOM 349 CB ASP A 45 34.673 -2.345 41.789 1.00 0.00 ATOM 350 CG ASP A 45 34.500 -1.854 43.213 1.00 0.00 ATOM 351 OD1 ASP A 45 35.448 -2.000 44.012 1.00 0.00 ATOM 352 OD2 ASP A 45 33.414 -1.325 43.530 1.00 0.00 ATOM 353 O ASP A 45 33.572 -4.890 43.424 1.00 0.00 ATOM 354 C ASP A 45 33.635 -4.510 42.255 1.00 0.00 ATOM 355 N ARG A 46 32.621 -4.627 41.408 1.00 0.00 ATOM 356 CA ARG A 46 31.357 -5.238 41.800 1.00 0.00 ATOM 357 CB ARG A 46 30.306 -5.064 40.670 1.00 0.00 ATOM 358 CG ARG A 46 29.754 -3.644 40.511 1.00 0.00 ATOM 359 CD ARG A 46 28.991 -3.416 39.151 1.00 0.00 ATOM 360 NE ARG A 46 28.085 -2.248 39.042 1.00 0.00 ATOM 361 CZ ARG A 46 28.244 -1.037 39.599 1.00 0.00 ATOM 362 NH1 ARG A 46 29.287 -0.726 40.368 1.00 0.00 ATOM 363 NH2 ARG A 46 27.320 -0.107 39.376 1.00 0.00 ATOM 364 O ARG A 46 30.914 -7.199 43.116 1.00 0.00 ATOM 365 C ARG A 46 31.500 -6.717 42.144 1.00 0.00 ATOM 366 N LEU A 47 32.296 -7.416 41.328 1.00 0.00 ATOM 367 CA LEU A 47 32.511 -8.847 41.526 1.00 0.00 ATOM 368 CB LEU A 47 33.184 -9.464 40.300 1.00 0.00 ATOM 369 CG LEU A 47 32.366 -9.472 39.007 1.00 0.00 ATOM 370 CD1 LEU A 47 33.197 -10.002 37.848 1.00 0.00 ATOM 371 CD2 LEU A 47 31.137 -10.355 39.154 1.00 0.00 ATOM 372 O LEU A 47 33.204 -10.305 43.301 1.00 0.00 ATOM 373 C LEU A 47 33.325 -9.201 42.765 1.00 0.00 ATOM 374 N GLY A 48 34.219 -8.288 43.203 1.00 0.00 ATOM 375 CA GLY A 48 35.025 -8.533 44.383 1.00 0.00 ATOM 376 O GLY A 48 37.127 -9.188 45.315 1.00 0.00 ATOM 377 C GLY A 48 36.487 -8.919 44.297 1.00 0.00 ATOM 378 N GLY A 49 37.181 -8.462 43.020 1.00 0.00 ATOM 379 CA GLY A 49 38.570 -8.856 42.875 1.00 0.00 ATOM 380 O GLY A 49 40.405 -8.703 41.301 1.00 0.00 ATOM 381 C GLY A 49 39.424 -9.342 41.705 1.00 0.00 ATOM 382 N ASP A 50 39.062 -10.505 41.185 1.00 0.00 ATOM 383 CA ASP A 50 39.715 -11.086 40.030 1.00 0.00 ATOM 384 CB ASP A 50 40.278 -12.435 40.431 1.00 0.00 ATOM 385 CG ASP A 50 41.545 -12.262 41.246 1.00 0.00 ATOM 386 OD1 ASP A 50 42.640 -12.493 40.689 1.00 0.00 ATOM 387 OD2 ASP A 50 41.450 -11.892 42.436 1.00 0.00 ATOM 388 O ASP A 50 37.636 -12.119 39.435 1.00 0.00 ATOM 389 C ASP A 50 38.681 -11.600 39.036 1.00 0.00 ATOM 390 N VAL A 51 38.975 -11.459 37.747 1.00 0.00 ATOM 391 CA VAL A 51 38.154 -12.059 36.696 1.00 0.00 ATOM 392 CB VAL A 51 37.185 -11.030 36.083 1.00 0.00 ATOM 393 CG1 VAL A 51 36.203 -10.534 37.132 1.00 0.00 ATOM 394 CG2 VAL A 51 37.952 -9.835 35.537 1.00 0.00 ATOM 395 O VAL A 51 40.057 -12.051 35.258 1.00 0.00 ATOM 396 C VAL A 51 39.015 -12.603 35.567 1.00 0.00 ATOM 397 N THR A 52 38.564 -13.687 34.946 1.00 0.00 ATOM 398 CA THR A 52 39.189 -14.188 33.742 1.00 0.00 ATOM 399 CB THR A 52 38.593 -15.543 33.319 1.00 0.00 ATOM 400 CG2 THR A 52 38.798 -16.579 34.414 1.00 0.00 ATOM 401 OG1 THR A 52 37.188 -15.398 33.077 1.00 0.00 ATOM 402 O THR A 52 37.992 -12.428 32.515 1.00 0.00 ATOM 403 C THR A 52 38.968 -13.210 32.574 1.00 0.00 ATOM 404 N PRO A 53 39.881 -13.222 31.597 1.00 0.00 ATOM 405 CA PRO A 53 39.689 -12.374 30.428 1.00 0.00 ATOM 406 CB PRO A 53 40.923 -12.699 29.580 1.00 0.00 ATOM 407 CG PRO A 53 41.969 -12.959 30.620 1.00 0.00 ATOM 408 CD PRO A 53 41.218 -13.826 31.613 1.00 0.00 ATOM 409 O PRO A 53 37.650 -11.829 29.272 1.00 0.00 ATOM 410 C PRO A 53 38.381 -12.717 29.717 1.00 0.00 ATOM 411 N SER A 54 38.105 -14.015 29.613 1.00 0.00 ATOM 412 CA SER A 54 36.888 -14.487 28.960 1.00 0.00 ATOM 413 CB SER A 54 36.856 -16.016 28.890 1.00 0.00 ATOM 414 OG SER A 54 36.765 -16.583 30.187 1.00 0.00 ATOM 415 O SER A 54 34.692 -13.520 28.996 1.00 0.00 ATOM 416 C SER A 54 35.649 -13.926 29.650 1.00 0.00 ATOM 417 N GLU A 55 35.678 -13.878 30.975 1.00 0.00 ATOM 418 CA GLU A 55 34.573 -13.362 31.771 1.00 0.00 ATOM 419 CB GLU A 55 34.869 -13.496 33.267 1.00 0.00 ATOM 420 CG GLU A 55 33.705 -13.111 34.166 1.00 0.00 ATOM 421 CD GLU A 55 34.023 -13.288 35.638 1.00 0.00 ATOM 422 OE1 GLU A 55 35.155 -13.710 35.955 1.00 0.00 ATOM 423 OE2 GLU A 55 33.140 -13.004 36.474 1.00 0.00 ATOM 424 O GLU A 55 33.091 -11.540 31.273 1.00 0.00 ATOM 425 C GLU A 55 34.250 -11.895 31.495 1.00 0.00 ATOM 426 N LEU A 56 35.259 -11.061 31.526 1.00 0.00 ATOM 427 CA LEU A 56 35.044 -9.641 31.263 1.00 0.00 ATOM 428 CB LEU A 56 36.287 -8.824 31.492 1.00 0.00 ATOM 429 CG LEU A 56 36.558 -8.551 32.969 1.00 0.00 ATOM 430 CD1 LEU A 56 37.960 -8.000 33.156 1.00 0.00 ATOM 431 CD2 LEU A 56 35.509 -7.584 33.509 1.00 0.00 ATOM 432 O LEU A 56 33.653 -8.690 29.579 1.00 0.00 ATOM 433 C LEU A 56 34.563 -9.464 29.830 1.00 0.00 ATOM 434 N ALA A 57 35.171 -10.195 28.900 1.00 0.00 ATOM 435 CA ALA A 57 34.786 -10.114 27.499 1.00 0.00 ATOM 436 CB ALA A 57 35.562 -11.130 26.676 1.00 0.00 ATOM 437 O ALA A 57 32.566 -9.822 26.607 1.00 0.00 ATOM 438 C ALA A 57 33.298 -10.468 27.366 1.00 0.00 ATOM 439 N ALA A 58 32.858 -11.460 28.118 1.00 0.00 ATOM 440 CA ALA A 58 31.452 -11.872 28.079 1.00 0.00 ATOM 441 CB ALA A 58 31.281 -13.084 28.982 1.00 0.00 ATOM 442 O ALA A 58 29.528 -10.459 27.901 1.00 0.00 ATOM 443 C ALA A 58 30.505 -10.780 28.576 1.00 0.00 ATOM 444 N ALA A 59 30.801 -10.216 29.751 1.00 0.00 ATOM 445 CA ALA A 59 29.963 -9.168 30.341 1.00 0.00 ATOM 446 CB ALA A 59 30.506 -8.760 31.702 1.00 0.00 ATOM 447 O ALA A 59 28.893 -7.227 29.415 1.00 0.00 ATOM 448 C ALA A 59 29.908 -7.923 29.452 1.00 0.00 ATOM 449 N GLU A 60 31.003 -7.642 28.755 1.00 0.00 ATOM 450 CA GLU A 60 31.087 -6.467 27.891 1.00 0.00 ATOM 451 CB GLU A 60 32.535 -5.930 27.867 1.00 0.00 ATOM 452 CG GLU A 60 32.818 -5.230 29.188 1.00 0.00 ATOM 453 CD GLU A 60 34.256 -4.837 29.432 1.00 0.00 ATOM 454 OE1 GLU A 60 34.526 -4.429 30.585 1.00 0.00 ATOM 455 OE2 GLU A 60 35.122 -4.924 28.542 1.00 0.00 ATOM 456 O GLU A 60 30.443 -5.824 25.673 1.00 0.00 ATOM 457 C GLU A 60 30.629 -6.751 26.460 1.00 0.00 ATOM 458 N ARG A 61 30.430 -8.026 26.135 1.00 0.00 ATOM 459 CA ARG A 61 30.002 -8.468 24.804 1.00 0.00 ATOM 460 CB ARG A 61 28.601 -7.980 24.430 1.00 0.00 ATOM 461 CG ARG A 61 27.499 -8.499 25.338 1.00 0.00 ATOM 462 CD ARG A 61 26.141 -7.957 24.923 1.00 0.00 ATOM 463 NE ARG A 61 25.673 -8.552 23.673 1.00 0.00 ATOM 464 CZ ARG A 61 25.036 -9.715 23.590 1.00 0.00 ATOM 465 NH1 ARG A 61 24.649 -10.177 22.409 1.00 0.00 ATOM 466 NH2 ARG A 61 24.787 -10.415 24.690 1.00 0.00 ATOM 467 O ARG A 61 30.603 -7.302 22.768 1.00 0.00 ATOM 468 C ARG A 61 30.984 -7.938 23.756 1.00 0.00 ATOM 469 N MET A 62 32.259 -8.217 24.010 1.00 0.00 ATOM 470 CA MET A 62 33.343 -7.920 23.087 1.00 0.00 ATOM 471 CB MET A 62 34.124 -6.691 23.554 1.00 0.00 ATOM 472 CG MET A 62 33.306 -5.410 23.583 1.00 0.00 ATOM 473 SD MET A 62 34.274 -3.977 24.095 1.00 0.00 ATOM 474 CE MET A 62 35.339 -3.764 22.671 1.00 0.00 ATOM 475 O MET A 62 34.220 -10.019 23.841 1.00 0.00 ATOM 476 C MET A 62 34.302 -9.109 23.028 1.00 0.00 ATOM 477 N ARG A 63 35.214 -9.094 22.069 1.00 0.00 ATOM 478 CA ARG A 63 36.139 -10.208 21.871 1.00 0.00 ATOM 479 CB ARG A 63 36.874 -10.059 20.537 1.00 0.00 ATOM 480 CG ARG A 63 35.979 -10.211 19.316 1.00 0.00 ATOM 481 CD ARG A 63 36.760 -9.996 18.029 1.00 0.00 ATOM 482 NE ARG A 63 37.215 -8.615 17.889 1.00 0.00 ATOM 483 CZ ARG A 63 38.050 -8.196 16.943 1.00 0.00 ATOM 484 NH1 ARG A 63 38.409 -6.921 16.893 1.00 0.00 ATOM 485 NH2 ARG A 63 38.523 -9.053 16.049 1.00 0.00 ATOM 486 O ARG A 63 37.557 -9.142 23.487 1.00 0.00 ATOM 487 C ARG A 63 37.196 -10.199 22.966 1.00 0.00 ATOM 488 N SER A 64 37.695 -11.412 23.294 1.00 0.00 ATOM 489 CA SER A 64 38.699 -11.534 24.342 1.00 0.00 ATOM 490 CB SER A 64 39.286 -12.948 24.325 1.00 0.00 ATOM 491 OG SER A 64 38.327 -13.902 24.746 1.00 0.00 ATOM 492 O SER A 64 40.439 -10.031 24.938 1.00 0.00 ATOM 493 C SER A 64 39.862 -10.598 24.007 1.00 0.00 ATOM 494 N SER A 65 40.152 -10.422 22.715 1.00 0.00 ATOM 495 CA SER A 65 41.217 -9.537 22.248 1.00 0.00 ATOM 496 CB SER A 65 41.379 -9.620 20.728 1.00 0.00 ATOM 497 OG SER A 65 41.852 -10.896 20.334 1.00 0.00 ATOM 498 O SER A 65 41.883 -7.341 22.877 1.00 0.00 ATOM 499 C SER A 65 40.959 -8.063 22.587 1.00 0.00 ATOM 500 N ASN A 66 39.713 -7.619 22.525 1.00 0.00 ATOM 501 CA ASN A 66 39.346 -6.274 22.997 1.00 0.00 ATOM 502 CB ASN A 66 37.840 -6.048 22.854 1.00 0.00 ATOM 503 CG ASN A 66 37.414 -5.860 21.410 1.00 0.00 ATOM 504 ND2 ASN A 66 36.129 -6.065 21.143 1.00 0.00 ATOM 505 OD1 ASN A 66 38.231 -5.535 20.549 1.00 0.00 ATOM 506 O ASN A 66 40.278 -5.025 24.837 1.00 0.00 ATOM 507 C ASN A 66 39.718 -6.062 24.468 1.00 0.00 ATOM 508 N LEU A 67 39.413 -7.046 25.309 1.00 0.00 ATOM 509 CA LEU A 67 39.753 -6.944 26.743 1.00 0.00 ATOM 510 CB LEU A 67 39.156 -8.119 27.520 1.00 0.00 ATOM 511 CG LEU A 67 39.396 -8.126 29.031 1.00 0.00 ATOM 512 CD1 LEU A 67 38.796 -6.888 29.677 1.00 0.00 ATOM 513 CD2 LEU A 67 38.763 -9.352 29.671 1.00 0.00 ATOM 514 O LEU A 67 41.778 -6.254 27.858 1.00 0.00 ATOM 515 C LEU A 67 41.277 -6.959 26.968 1.00 0.00 ATOM 516 N ALA A 68 41.954 -7.776 26.196 1.00 0.00 ATOM 517 CA ALA A 68 43.426 -7.887 26.320 1.00 0.00 ATOM 518 CB ALA A 68 43.958 -8.868 25.288 1.00 0.00 ATOM 519 O ALA A 68 45.014 -6.173 26.774 1.00 0.00 ATOM 520 C ALA A 68 44.065 -6.508 26.083 1.00 0.00 ATOM 521 N ALA A 69 43.521 -5.778 25.121 1.00 0.00 ATOM 522 CA ALA A 69 44.054 -4.442 24.854 1.00 0.00 ATOM 523 CB ALA A 69 43.466 -3.883 23.569 1.00 0.00 ATOM 524 O ALA A 69 44.596 -2.648 26.360 1.00 0.00 ATOM 525 C ALA A 69 43.750 -3.479 25.997 1.00 0.00 ATOM 526 N LEU A 70 42.531 -3.543 26.548 1.00 0.00 ATOM 527 CA LEU A 70 42.183 -2.758 27.736 1.00 0.00 ATOM 528 CB LEU A 70 40.750 -3.041 28.195 1.00 0.00 ATOM 529 CG LEU A 70 39.635 -2.559 27.264 1.00 0.00 ATOM 530 CD1 LEU A 70 38.282 -3.069 27.739 1.00 0.00 ATOM 531 CD2 LEU A 70 39.583 -1.039 27.228 1.00 0.00 ATOM 532 O LEU A 70 43.592 -2.228 29.602 1.00 0.00 ATOM 533 C LEU A 70 43.115 -3.110 28.887 1.00 0.00 ATOM 534 N LEU A 71 43.380 -4.409 29.060 1.00 0.00 ATOM 535 CA LEU A 71 44.264 -4.862 30.126 1.00 0.00 ATOM 536 CB LEU A 71 44.245 -6.444 30.191 1.00 0.00 ATOM 537 CG LEU A 71 42.936 -7.103 30.623 1.00 0.00 ATOM 538 CD1 LEU A 71 43.039 -8.594 30.514 1.00 0.00 ATOM 539 CD2 LEU A 71 42.509 -6.661 31.990 1.00 0.00 ATOM 540 O LEU A 71 46.308 -3.906 30.861 1.00 0.00 ATOM 541 C LEU A 71 45.671 -4.320 29.906 1.00 0.00 ATOM 542 N ARG A 72 46.146 -4.285 28.652 1.00 0.00 ATOM 543 CA ARG A 72 47.486 -3.743 28.347 1.00 0.00 ATOM 544 CB ARG A 72 47.833 -3.890 26.906 1.00 0.00 ATOM 545 CG ARG A 72 47.812 -5.293 26.330 1.00 0.00 ATOM 546 CD ARG A 72 48.552 -5.440 24.989 1.00 0.00 ATOM 547 NE ARG A 72 48.038 -4.514 23.973 1.00 0.00 ATOM 548 CZ ARG A 72 47.036 -4.749 23.164 1.00 0.00 ATOM 549 NH1 ARG A 72 46.391 -5.929 23.212 1.00 0.00 ATOM 550 NH2 ARG A 72 46.652 -3.826 22.331 1.00 0.00 ATOM 551 O ARG A 72 48.543 -1.921 29.488 1.00 0.00 ATOM 552 C ARG A 72 47.578 -2.308 28.845 1.00 0.00 ATOM 553 N GLU A 73 46.556 -1.519 28.505 1.00 0.00 ATOM 554 CA GLU A 73 46.543 -0.103 28.903 1.00 0.00 ATOM 555 CB GLU A 73 45.286 0.591 28.377 1.00 0.00 ATOM 556 CG GLU A 73 45.215 2.075 28.698 1.00 0.00 ATOM 557 CD GLU A 73 43.972 2.735 28.132 1.00 0.00 ATOM 558 OE1 GLU A 73 43.174 2.034 27.475 1.00 0.00 ATOM 559 OE2 GLU A 73 43.799 3.954 28.342 1.00 0.00 ATOM 560 O GLU A 73 47.339 0.825 30.976 1.00 0.00 ATOM 561 C GLU A 73 46.555 0.052 30.424 1.00 0.00 ATOM 562 N LEU A 74 45.703 -0.703 31.086 1.00 0.00 ATOM 563 CA LEU A 74 45.629 -0.632 32.538 1.00 0.00 ATOM 564 CB LEU A 74 44.445 -1.514 33.038 1.00 0.00 ATOM 565 CG LEU A 74 43.040 -0.939 32.839 1.00 0.00 ATOM 566 CD1 LEU A 74 41.989 -2.028 33.102 1.00 0.00 ATOM 567 CD2 LEU A 74 42.848 0.242 33.804 1.00 0.00 ATOM 568 O LEU A 74 47.424 -0.509 34.115 1.00 0.00 ATOM 569 C LEU A 74 46.938 -1.141 33.191 1.00 0.00 ATOM 570 N GLU A 75 47.512 -2.244 32.693 1.00 0.00 ATOM 571 CA GLU A 75 48.754 -2.792 33.276 1.00 0.00 ATOM 572 CB GLU A 75 49.120 -4.118 32.608 1.00 0.00 ATOM 573 CG GLU A 75 50.353 -4.788 33.190 1.00 0.00 ATOM 574 CD GLU A 75 50.651 -6.126 32.543 1.00 0.00 ATOM 575 OE1 GLU A 75 49.887 -6.535 31.644 1.00 0.00 ATOM 576 OE2 GLU A 75 51.650 -6.767 32.934 1.00 0.00 ATOM 577 O GLU A 75 50.745 -1.655 33.994 1.00 0.00 ATOM 578 C GLU A 75 49.929 -1.830 33.091 1.00 0.00 ATOM 579 N ARG A 76 49.979 -1.179 31.933 1.00 0.00 ATOM 580 CA ARG A 76 50.999 -0.177 31.638 1.00 0.00 ATOM 581 CB ARG A 76 50.880 0.217 30.152 1.00 0.00 ATOM 582 CG ARG A 76 51.981 1.161 29.705 1.00 0.00 ATOM 583 CD ARG A 76 51.827 1.529 28.197 1.00 0.00 ATOM 584 NE ARG A 76 51.800 0.384 27.290 1.00 0.00 ATOM 585 CZ ARG A 76 50.684 -0.149 26.775 1.00 0.00 ATOM 586 NH1 ARG A 76 49.487 0.372 27.088 1.00 0.00 ATOM 587 NH2 ARG A 76 50.762 -1.187 25.944 1.00 0.00 ATOM 588 O ARG A 76 51.930 1.545 33.022 1.00 0.00 ATOM 589 C ARG A 76 50.913 0.959 32.649 1.00 0.00 ATOM 590 N GLY A 77 49.710 1.292 33.124 1.00 0.00 ATOM 591 CA GLY A 77 49.532 2.349 34.102 1.00 0.00 ATOM 592 O GLY A 77 49.529 2.410 36.488 1.00 0.00 ATOM 593 C GLY A 77 49.626 1.703 35.490 1.00 0.00 ATOM 594 N GLY A 78 49.811 0.356 35.553 1.00 0.00 ATOM 595 CA GLY A 78 49.977 -0.305 36.836 1.00 0.00 ATOM 596 O GLY A 78 48.816 -0.609 38.904 1.00 0.00 ATOM 597 C GLY A 78 48.724 -0.406 37.692 1.00 0.00 ATOM 598 N LEU A 79 47.565 -0.272 37.054 1.00 0.00 ATOM 599 CA LEU A 79 46.305 -0.345 37.780 1.00 0.00 ATOM 600 CB LEU A 79 45.176 0.306 36.970 1.00 0.00 ATOM 601 CG LEU A 79 45.062 1.833 37.089 1.00 0.00 ATOM 602 CD1 LEU A 79 44.300 2.425 35.888 1.00 0.00 ATOM 603 CD2 LEU A 79 44.395 2.215 38.411 1.00 0.00 ATOM 604 O LEU A 79 45.054 -1.950 39.016 1.00 0.00 ATOM 605 C LEU A 79 45.759 -1.739 38.023 1.00 0.00 ATOM 606 N ILE A 80 46.155 -2.621 37.102 1.00 0.00 ATOM 607 CA ILE A 80 45.811 -4.048 37.245 1.00 0.00 ATOM 608 CB ILE A 80 44.760 -4.481 36.208 1.00 0.00 ATOM 609 CG1 ILE A 80 45.295 -4.274 34.788 1.00 0.00 ATOM 610 CG2 ILE A 80 43.486 -3.668 36.367 1.00 0.00 ATOM 611 CD1 ILE A 80 44.413 -4.866 33.711 1.00 0.00 ATOM 612 O ILE A 80 48.036 -4.492 36.528 1.00 0.00 ATOM 613 C ILE A 80 47.027 -4.923 37.053 1.00 0.00 ATOM 614 N VAL A 81 46.905 -6.175 37.477 1.00 0.00 ATOM 615 CA VAL A 81 47.940 -7.192 37.298 1.00 0.00 ATOM 616 CB VAL A 81 48.542 -7.625 38.649 1.00 0.00 ATOM 617 CG1 VAL A 81 49.581 -8.717 38.443 1.00 0.00 ATOM 618 CG2 VAL A 81 49.214 -6.446 39.335 1.00 0.00 ATOM 619 O VAL A 81 46.112 -8.673 36.861 1.00 0.00 ATOM 620 C VAL A 81 47.291 -8.386 36.626 1.00 0.00 ATOM 621 N ARG A 82 48.046 -9.044 35.758 1.00 0.00 ATOM 622 CA ARG A 82 47.649 -10.311 35.205 1.00 0.00 ATOM 623 CB ARG A 82 47.612 -10.174 33.681 1.00 0.00 ATOM 624 CG ARG A 82 48.983 -10.198 33.022 1.00 0.00 ATOM 625 CD ARG A 82 49.006 -9.487 31.721 1.00 0.00 ATOM 626 NE ARG A 82 48.060 -9.936 30.700 1.00 0.00 ATOM 627 CZ ARG A 82 48.320 -10.865 29.773 1.00 0.00 ATOM 628 NH1 ARG A 82 47.415 -11.166 28.862 1.00 0.00 ATOM 629 NH2 ARG A 82 49.497 -11.464 29.752 1.00 0.00 ATOM 630 O ARG A 82 49.565 -11.305 36.197 1.00 0.00 ATOM 631 C ARG A 82 48.389 -11.430 35.908 1.00 0.00 ATOM 632 N HIS A 83 47.673 -12.515 36.184 1.00 0.00 ATOM 633 CA HIS A 83 48.231 -13.739 36.768 1.00 0.00 ATOM 634 CB HIS A 83 47.805 -13.878 38.223 1.00 0.00 ATOM 635 CG HIS A 83 48.454 -12.885 39.123 1.00 0.00 ATOM 636 CD2 HIS A 83 47.937 -11.811 39.769 1.00 0.00 ATOM 637 ND1 HIS A 83 49.791 -12.936 39.455 1.00 0.00 ATOM 638 CE1 HIS A 83 50.073 -11.933 40.268 1.00 0.00 ATOM 639 NE2 HIS A 83 48.966 -11.234 40.474 1.00 0.00 ATOM 640 O HIS A 83 46.686 -14.868 35.276 1.00 0.00 ATOM 641 C HIS A 83 47.652 -14.969 36.042 1.00 0.00 ATOM 642 N ALA A 84 48.327 -16.107 36.170 1.00 0.00 ATOM 643 CA ALA A 84 47.804 -17.349 35.625 1.00 0.00 ATOM 644 CB ALA A 84 48.911 -18.388 35.510 1.00 0.00 ATOM 645 O ALA A 84 46.794 -17.788 37.752 1.00 0.00 ATOM 646 C ALA A 84 46.709 -17.886 36.534 1.00 0.00 ATOM 647 N ASP A 85 45.670 -18.383 35.923 1.00 0.00 ATOM 648 CA ASP A 85 44.598 -19.042 36.653 1.00 0.00 ATOM 649 CB ASP A 85 43.455 -19.351 35.683 1.00 0.00 ATOM 650 CG ASP A 85 42.232 -19.909 36.385 1.00 0.00 ATOM 651 OD1 ASP A 85 41.549 -19.137 37.090 1.00 0.00 ATOM 652 OD2 ASP A 85 41.956 -21.117 36.228 1.00 0.00 ATOM 653 O ASP A 85 45.795 -21.119 36.705 1.00 0.00 ATOM 654 C ASP A 85 45.076 -20.334 37.312 1.00 0.00 ATOM 655 N PRO A 86 44.730 -20.527 38.564 1.00 0.00 ATOM 656 CA PRO A 86 45.153 -21.747 39.262 1.00 0.00 ATOM 657 CB PRO A 86 44.811 -21.448 40.725 1.00 0.00 ATOM 658 CG PRO A 86 43.649 -20.528 40.630 1.00 0.00 ATOM 659 CD PRO A 86 44.035 -19.607 39.480 1.00 0.00 ATOM 660 O PRO A 86 45.303 -24.091 38.774 1.00 0.00 ATOM 661 C PRO A 86 44.634 -23.061 38.684 1.00 0.00 ATOM 662 N GLN A 87 43.421 -23.051 38.118 1.00 0.00 ATOM 663 CA GLN A 87 42.811 -24.249 37.548 1.00 0.00 ATOM 664 CB GLN A 87 41.315 -24.049 37.296 1.00 0.00 ATOM 665 CG GLN A 87 40.470 -24.020 38.560 1.00 0.00 ATOM 666 CD GLN A 87 39.014 -23.711 38.281 1.00 0.00 ATOM 667 OE1 GLN A 87 38.638 -23.413 37.147 1.00 0.00 ATOM 668 NE2 GLN A 87 38.186 -23.779 39.317 1.00 0.00 ATOM 669 O GLN A 87 43.771 -25.835 36.002 1.00 0.00 ATOM 670 C GLN A 87 43.521 -24.642 36.257 1.00 0.00 ATOM 671 N ASP A 88 43.695 -23.547 35.405 1.00 0.00 ATOM 672 CA ASP A 88 44.427 -23.696 34.149 1.00 0.00 ATOM 673 CB ASP A 88 43.326 -23.601 33.092 1.00 0.00 ATOM 674 CG ASP A 88 43.845 -23.843 31.687 1.00 0.00 ATOM 675 OD1 ASP A 88 45.078 -23.963 31.523 1.00 0.00 ATOM 676 OD2 ASP A 88 43.021 -23.914 30.752 1.00 0.00 ATOM 677 O ASP A 88 45.102 -21.405 33.973 1.00 0.00 ATOM 678 C ASP A 88 45.465 -22.582 34.024 1.00 0.00 ATOM 679 N GLY A 89 46.727 -22.965 34.016 1.00 0.00 ATOM 680 CA GLY A 89 47.791 -21.975 33.909 1.00 0.00 ATOM 681 O GLY A 89 48.270 -19.992 32.665 1.00 0.00 ATOM 682 C GLY A 89 47.740 -21.091 32.668 1.00 0.00 ATOM 683 N ARG A 90 47.141 -21.602 31.599 1.00 0.00 ATOM 684 CA ARG A 90 47.078 -20.874 30.343 1.00 0.00 ATOM 685 CB ARG A 90 46.164 -21.968 29.386 1.00 0.00 ATOM 686 CG ARG A 90 46.299 -21.975 27.855 1.00 0.00 ATOM 687 CD ARG A 90 45.140 -22.737 27.225 1.00 0.00 ATOM 688 NE ARG A 90 45.006 -24.057 27.836 1.00 0.00 ATOM 689 CZ ARG A 90 43.908 -24.803 27.786 1.00 0.00 ATOM 690 NH1 ARG A 90 42.830 -24.373 27.144 1.00 0.00 ATOM 691 NH2 ARG A 90 43.882 -25.971 28.409 1.00 0.00 ATOM 692 O ARG A 90 46.365 -18.725 29.682 1.00 0.00 ATOM 693 C ARG A 90 46.136 -19.678 30.396 1.00 0.00 ATOM 694 N ARG A 91 45.072 -19.737 31.200 1.00 0.00 ATOM 695 CA ARG A 91 44.113 -18.639 31.243 1.00 0.00 ATOM 696 CB ARG A 91 42.735 -19.116 31.741 1.00 0.00 ATOM 697 CG ARG A 91 42.085 -20.223 30.938 1.00 0.00 ATOM 698 CD ARG A 91 40.595 -20.313 31.118 1.00 0.00 ATOM 699 NE ARG A 91 40.246 -20.615 32.498 1.00 0.00 ATOM 700 CZ ARG A 91 39.094 -20.310 33.063 1.00 0.00 ATOM 701 NH1 ARG A 91 38.173 -19.624 32.399 1.00 0.00 ATOM 702 NH2 ARG A 91 38.874 -20.650 34.326 1.00 0.00 ATOM 703 O ARG A 91 45.301 -17.792 33.142 1.00 0.00 ATOM 704 C ARG A 91 44.658 -17.531 32.126 1.00 0.00 ATOM 705 N THR A 92 44.303 -16.284 31.796 1.00 0.00 ATOM 706 CA THR A 92 44.746 -15.119 32.547 1.00 0.00 ATOM 707 CB THR A 92 45.132 -14.009 31.552 1.00 0.00 ATOM 708 CG2 THR A 92 45.629 -12.778 32.294 1.00 0.00 ATOM 709 OG1 THR A 92 46.173 -14.481 30.687 1.00 0.00 ATOM 710 O THR A 92 42.450 -14.519 33.049 1.00 0.00 ATOM 711 C THR A 92 43.615 -14.642 33.460 1.00 0.00 ATOM 712 N ARG A 93 43.995 -14.265 34.705 1.00 0.00 ATOM 713 CA ARG A 93 43.139 -13.630 35.692 1.00 0.00 ATOM 714 CB ARG A 93 43.003 -14.536 36.949 1.00 0.00 ATOM 715 CG ARG A 93 42.448 -15.933 36.752 1.00 0.00 ATOM 716 CD ARG A 93 41.955 -16.579 38.061 1.00 0.00 ATOM 717 NE ARG A 93 40.552 -16.251 38.311 1.00 0.00 ATOM 718 CZ ARG A 93 39.857 -16.588 39.398 1.00 0.00 ATOM 719 NH1 ARG A 93 40.421 -17.292 40.378 1.00 0.00 ATOM 720 NH2 ARG A 93 38.578 -16.229 39.496 1.00 0.00 ATOM 721 O ARG A 93 44.792 -11.943 36.084 1.00 0.00 ATOM 722 C ARG A 93 43.601 -12.192 35.917 1.00 0.00 ATOM 723 N VAL A 94 42.654 -11.257 35.878 1.00 0.00 ATOM 724 CA VAL A 94 42.908 -9.860 36.116 1.00 0.00 ATOM 725 CB VAL A 94 42.174 -8.972 35.085 1.00 0.00 ATOM 726 CG1 VAL A 94 42.433 -7.503 35.361 1.00 0.00 ATOM 727 CG2 VAL A 94 42.639 -9.330 33.677 1.00 0.00 ATOM 728 O VAL A 94 41.284 -9.733 37.870 1.00 0.00 ATOM 729 C VAL A 94 42.376 -9.345 37.440 1.00 0.00 ATOM 730 N SER A 95 43.404 -8.653 38.152 1.00 0.00 ATOM 731 CA SER A 95 43.032 -7.986 39.411 1.00 0.00 ATOM 732 CB SER A 95 43.665 -8.702 40.605 1.00 0.00 ATOM 733 OG SER A 95 45.079 -8.609 40.563 1.00 0.00 ATOM 734 O SER A 95 44.355 -6.104 38.682 1.00 0.00 ATOM 735 C SER A 95 43.486 -6.532 39.460 1.00 0.00 ATOM 736 N LEU A 96 42.905 -5.735 40.349 1.00 0.00 ATOM 737 CA LEU A 96 43.330 -4.354 40.519 1.00 0.00 ATOM 738 CB LEU A 96 42.148 -3.479 40.941 1.00 0.00 ATOM 739 CG LEU A 96 40.980 -3.397 39.956 1.00 0.00 ATOM 740 CD1 LEU A 96 39.842 -2.574 40.539 1.00 0.00 ATOM 741 CD2 LEU A 96 41.418 -2.746 38.654 1.00 0.00 ATOM 742 O LEU A 96 44.256 -4.914 42.662 1.00 0.00 ATOM 743 C LEU A 96 44.387 -4.287 41.610 1.00 0.00 ATOM 744 N SER A 97 45.436 -3.516 41.374 1.00 0.00 ATOM 745 CA SER A 97 46.492 -3.333 42.355 1.00 0.00 ATOM 746 CB SER A 97 47.752 -2.749 41.713 1.00 0.00 ATOM 747 OG SER A 97 47.536 -1.414 41.289 1.00 0.00 ATOM 748 O SER A 97 44.824 -1.797 43.122 1.00 0.00 ATOM 749 C SER A 97 45.894 -2.384 43.346 1.00 0.00 ATOM 750 N SER A 98 46.559 -2.153 44.515 1.00 0.00 ATOM 751 CA SER A 98 46.041 -1.248 45.521 1.00 0.00 ATOM 752 CB SER A 98 47.045 -1.088 46.664 1.00 0.00 ATOM 753 OG SER A 98 47.220 -2.306 47.364 1.00 0.00 ATOM 754 O SER A 98 44.753 0.721 45.102 1.00 0.00 ATOM 755 C SER A 98 45.786 0.106 44.870 1.00 0.00 ATOM 756 N GLU A 99 46.745 0.561 44.064 1.00 0.00 ATOM 757 CA GLU A 99 46.703 1.898 43.476 1.00 0.00 ATOM 758 CB GLU A 99 48.015 2.208 42.754 1.00 0.00 ATOM 759 CG GLU A 99 49.203 2.404 43.682 1.00 0.00 ATOM 760 CD GLU A 99 50.506 2.588 42.931 1.00 0.00 ATOM 761 OE1 GLU A 99 50.492 2.489 41.686 1.00 0.00 ATOM 762 OE2 GLU A 99 51.541 2.829 43.587 1.00 0.00 ATOM 763 O GLU A 99 44.839 2.951 42.377 1.00 0.00 ATOM 764 C GLU A 99 45.552 1.954 42.481 1.00 0.00 ATOM 765 N GLY A 100 45.356 0.849 41.757 1.00 0.00 ATOM 766 CA GLY A 100 44.286 0.825 40.779 1.00 0.00 ATOM 767 O GLY A 100 41.970 1.517 40.957 1.00 0.00 ATOM 768 C GLY A 100 42.908 0.841 41.434 1.00 0.00 ATOM 769 N ARG A 101 42.782 0.125 42.549 1.00 0.00 ATOM 770 CA ARG A 101 41.532 0.120 43.310 1.00 0.00 ATOM 771 CB ARG A 101 41.692 -0.752 44.556 1.00 0.00 ATOM 772 CG ARG A 101 41.769 -2.241 44.268 1.00 0.00 ATOM 773 CD ARG A 101 41.974 -3.041 45.543 1.00 0.00 ATOM 774 NE ARG A 101 42.099 -4.472 45.278 1.00 0.00 ATOM 775 CZ ARG A 101 42.341 -5.388 46.211 1.00 0.00 ATOM 776 NH1 ARG A 101 42.438 -6.667 45.876 1.00 0.00 ATOM 777 NH2 ARG A 101 42.482 -5.022 47.477 1.00 0.00 ATOM 778 O ARG A 101 40.074 2.011 43.573 1.00 0.00 ATOM 779 C ARG A 101 41.196 1.548 43.736 1.00 0.00 ATOM 780 N ARG A 102 42.193 2.248 44.250 1.00 0.00 ATOM 781 CA ARG A 102 42.028 3.628 44.680 1.00 0.00 ATOM 782 CB ARG A 102 43.325 4.155 45.296 1.00 0.00 ATOM 783 CG ARG A 102 43.659 3.552 46.651 1.00 0.00 ATOM 784 CD ARG A 102 44.992 4.063 47.172 1.00 0.00 ATOM 785 NE ARG A 102 45.341 3.470 48.460 1.00 0.00 ATOM 786 CZ ARG A 102 46.486 3.691 49.098 1.00 0.00 ATOM 787 NH1 ARG A 102 46.716 3.108 50.267 1.00 0.00 ATOM 788 NH2 ARG A 102 47.398 4.494 48.566 1.00 0.00 ATOM 789 O ARG A 102 40.763 5.367 43.613 1.00 0.00 ATOM 790 C ARG A 102 41.640 4.507 43.495 1.00 0.00 ATOM 791 N ASN A 103 42.280 4.295 42.336 1.00 0.00 ATOM 792 CA ASN A 103 41.980 5.089 41.150 1.00 0.00 ATOM 793 CB ASN A 103 42.998 4.778 40.051 1.00 0.00 ATOM 794 CG ASN A 103 44.380 5.310 40.369 1.00 0.00 ATOM 795 ND2 ASN A 103 45.395 4.743 39.725 1.00 0.00 ATOM 796 OD1 ASN A 103 44.534 6.220 41.184 1.00 0.00 ATOM 797 O ASN A 103 39.900 5.785 40.195 1.00 0.00 ATOM 798 C ASN A 103 40.575 4.838 40.613 1.00 0.00 ATOM 799 N LEU A 104 40.149 3.570 40.613 1.00 0.00 ATOM 800 CA LEU A 104 38.798 3.223 40.178 1.00 0.00 ATOM 801 CB LEU A 104 38.620 1.736 40.268 1.00 0.00 ATOM 802 CG LEU A 104 37.239 1.229 39.889 1.00 0.00 ATOM 803 CD1 LEU A 104 36.864 1.604 38.443 1.00 0.00 ATOM 804 CD2 LEU A 104 37.205 -0.285 40.045 1.00 0.00 ATOM 805 O LEU A 104 36.721 4.337 40.574 1.00 0.00 ATOM 806 C LEU A 104 37.767 3.896 41.058 1.00 0.00 ATOM 807 N TYR A 105 38.080 3.978 42.351 1.00 0.00 ATOM 808 CA TYR A 105 37.189 4.602 43.333 1.00 0.00 ATOM 809 CB TYR A 105 37.665 4.258 44.745 1.00 0.00 ATOM 810 CG TYR A 105 36.724 4.715 45.837 1.00 0.00 ATOM 811 CD1 TYR A 105 35.543 4.030 46.093 1.00 0.00 ATOM 812 CD2 TYR A 105 37.021 5.832 46.609 1.00 0.00 ATOM 813 CE1 TYR A 105 34.679 4.442 47.088 1.00 0.00 ATOM 814 CE2 TYR A 105 36.168 6.257 47.609 1.00 0.00 ATOM 815 CZ TYR A 105 34.988 5.552 47.844 1.00 0.00 ATOM 816 OH TYR A 105 34.129 5.963 48.837 1.00 0.00 ATOM 817 O TYR A 105 36.046 6.647 43.175 1.00 0.00 ATOM 818 C TYR A 105 37.154 6.112 43.134 1.00 0.00 ATOM 819 N GLY A 106 38.279 6.723 42.934 1.00 0.00 ATOM 820 CA GLY A 106 38.255 8.209 42.715 1.00 0.00 ATOM 821 O GLY A 106 36.709 9.552 41.471 1.00 0.00 ATOM 822 C GLY A 106 37.469 8.600 41.461 1.00 0.00 ATOM 823 N ASN A 107 37.623 7.828 40.393 1.00 0.00 ATOM 824 CA ASN A 107 36.888 8.065 39.166 1.00 0.00 ATOM 825 CB ASN A 107 37.351 7.102 38.070 1.00 0.00 ATOM 826 CG ASN A 107 38.730 7.441 37.542 1.00 0.00 ATOM 827 ND2 ASN A 107 39.385 6.459 36.932 1.00 0.00 ATOM 828 OD1 ASN A 107 39.199 8.569 37.681 1.00 0.00 ATOM 829 O ASN A 107 34.552 8.620 38.920 1.00 0.00 ATOM 830 C ASN A 107 35.387 7.834 39.370 1.00 0.00 ATOM 831 N ARG A 108 35.048 6.765 40.070 1.00 0.00 ATOM 832 CA ARG A 108 33.651 6.470 40.359 1.00 0.00 ATOM 833 CB ARG A 108 33.540 5.111 41.053 1.00 0.00 ATOM 834 CG ARG A 108 32.112 4.655 41.300 1.00 0.00 ATOM 835 CD ARG A 108 32.073 3.250 41.878 1.00 0.00 ATOM 836 NE ARG A 108 30.707 2.796 42.122 1.00 0.00 ATOM 837 CZ ARG A 108 30.393 1.632 42.682 1.00 0.00 ATOM 838 NH1 ARG A 108 29.122 1.303 42.864 1.00 0.00 ATOM 839 NH2 ARG A 108 31.354 0.798 43.058 1.00 0.00 ATOM 840 O ARG A 108 31.847 7.925 40.989 1.00 0.00 ATOM 841 C ARG A 108 32.998 7.523 41.241 1.00 0.00 ATOM 842 N ALA A 109 33.711 7.983 42.286 1.00 0.00 ATOM 843 CA ALA A 109 33.204 9.023 43.182 1.00 0.00 ATOM 844 CB ALA A 109 34.203 9.280 44.299 1.00 0.00 ATOM 845 O ALA A 109 31.987 10.994 42.655 1.00 0.00 ATOM 846 C ALA A 109 32.979 10.320 42.425 1.00 0.00 ATOM 847 N LYS A 110 33.901 10.669 41.529 1.00 0.00 ATOM 848 CA LYS A 110 33.715 11.785 40.627 1.00 0.00 ATOM 849 CB LYS A 110 34.868 11.861 39.625 1.00 0.00 ATOM 850 CG LYS A 110 36.194 12.286 40.234 1.00 0.00 ATOM 851 CD LYS A 110 37.286 12.368 39.179 1.00 0.00 ATOM 852 CE LYS A 110 38.605 12.817 39.785 1.00 0.00 ATOM 853 NZ LYS A 110 39.698 12.851 38.774 1.00 0.00 ATOM 854 O LYS A 110 31.569 12.580 39.766 1.00 0.00 ATOM 855 C LYS A 110 32.400 11.641 39.839 1.00 0.00 ATOM 856 N ARG A 111 32.140 10.434 39.277 1.00 0.00 ATOM 857 CA ARG A 111 30.949 10.240 38.474 1.00 0.00 ATOM 858 CB ARG A 111 31.084 8.956 37.633 1.00 0.00 ATOM 859 CG ARG A 111 29.810 8.650 36.873 1.00 0.00 ATOM 860 CD ARG A 111 29.996 7.481 35.920 1.00 0.00 ATOM 861 NE ARG A 111 30.242 6.243 36.658 1.00 0.00 ATOM 862 CZ ARG A 111 30.474 5.075 36.062 1.00 0.00 ATOM 863 NH1 ARG A 111 30.517 4.942 34.734 1.00 0.00 ATOM 864 NH2 ARG A 111 30.674 3.989 36.786 1.00 0.00 ATOM 865 O ARG A 111 28.668 10.834 38.970 1.00 0.00 ATOM 866 C ARG A 111 29.708 10.299 39.368 1.00 0.00 ATOM 867 N GLU A 112 29.856 9.771 40.534 1.00 0.00 ATOM 868 CA GLU A 112 28.747 9.783 41.484 1.00 0.00 ATOM 869 CB GLU A 112 29.130 9.036 42.764 1.00 0.00 ATOM 870 CG GLU A 112 29.240 7.530 42.594 1.00 0.00 ATOM 871 CD GLU A 112 29.753 6.839 43.841 1.00 0.00 ATOM 872 OE1 GLU A 112 30.100 7.546 44.813 1.00 0.00 ATOM 873 OE2 GLU A 112 29.809 5.592 43.850 1.00 0.00 ATOM 874 O GLU A 112 27.191 11.561 41.890 1.00 0.00 ATOM 875 C GLU A 112 28.365 11.199 41.918 1.00 0.00 ATOM 876 N GLU A 113 29.360 11.990 42.313 1.00 0.00 ATOM 877 CA GLU A 113 29.151 13.392 42.668 1.00 0.00 ATOM 878 CB GLU A 113 30.540 13.996 43.083 1.00 0.00 ATOM 879 CG GLU A 113 30.536 15.488 43.450 1.00 0.00 ATOM 880 CD GLU A 113 29.770 15.814 44.722 1.00 0.00 ATOM 881 OE1 GLU A 113 29.371 14.888 45.460 1.00 0.00 ATOM 882 OE2 GLU A 113 29.575 17.021 44.992 1.00 0.00 ATOM 883 O GLU A 113 27.636 15.031 41.848 1.00 0.00 ATOM 884 C GLU A 113 28.518 14.229 41.568 1.00 0.00 ATOM 885 N TRP A 114 28.931 14.021 40.316 1.00 0.00 ATOM 886 CA TRP A 114 28.288 14.688 39.194 1.00 0.00 ATOM 887 CB TRP A 114 28.994 14.334 37.883 1.00 0.00 ATOM 888 CG TRP A 114 28.388 14.989 36.680 1.00 0.00 ATOM 889 CD1 TRP A 114 27.647 14.385 35.706 1.00 0.00 ATOM 890 CD2 TRP A 114 28.471 16.374 36.322 1.00 0.00 ATOM 891 CE2 TRP A 114 27.757 16.537 35.119 1.00 0.00 ATOM 892 CE3 TRP A 114 29.080 17.491 36.901 1.00 0.00 ATOM 893 NE1 TRP A 114 27.262 15.307 34.762 1.00 0.00 ATOM 894 CZ2 TRP A 114 27.634 17.772 34.485 1.00 0.00 ATOM 895 CZ3 TRP A 114 28.955 18.714 36.269 1.00 0.00 ATOM 896 CH2 TRP A 114 28.239 18.847 35.074 1.00 0.00 ATOM 897 O TRP A 114 25.955 15.162 38.852 1.00 0.00 ATOM 898 C TRP A 114 26.810 14.304 39.072 1.00 0.00 ATOM 899 N LEU A 115 26.522 13.010 39.219 1.00 0.00 ATOM 900 CA LEU A 115 25.144 12.535 39.130 1.00 0.00 ATOM 901 CB LEU A 115 25.085 11.012 39.267 1.00 0.00 ATOM 902 CG LEU A 115 25.671 10.206 38.106 1.00 0.00 ATOM 903 CD1 LEU A 115 25.720 8.723 38.452 1.00 0.00 ATOM 904 CD2 LEU A 115 24.825 10.373 36.853 1.00 0.00 ATOM 905 O LEU A 115 23.250 13.766 39.939 1.00 0.00 ATOM 906 C LEU A 115 24.270 13.142 40.227 1.00 0.00 ATOM 907 N VAL A 116 24.654 13.056 41.480 1.00 0.00 ATOM 908 CA VAL A 116 23.899 13.657 42.582 1.00 0.00 ATOM 909 CB VAL A 116 24.484 13.410 43.941 1.00 0.00 ATOM 910 CG1 VAL A 116 23.779 14.294 44.978 1.00 0.00 ATOM 911 CG2 VAL A 116 24.303 11.931 44.288 1.00 0.00 ATOM 912 O VAL A 116 22.806 15.785 42.379 1.00 0.00 ATOM 913 C VAL A 116 23.870 15.171 42.363 1.00 0.00 ATOM 914 N ARG A 117 25.036 15.793 42.094 1.00 0.00 ATOM 915 CA ARG A 117 25.112 17.235 41.894 1.00 0.00 ATOM 916 CB ARG A 117 26.567 17.682 41.738 1.00 0.00 ATOM 917 CG ARG A 117 26.740 19.183 41.573 1.00 0.00 ATOM 918 CD ARG A 117 28.209 19.563 41.482 1.00 0.00 ATOM 919 NE ARG A 117 28.393 21.001 41.304 1.00 0.00 ATOM 920 CZ ARG A 117 29.577 21.601 41.243 1.00 0.00 ATOM 921 NH1 ARG A 117 29.647 22.915 41.078 1.00 0.00 ATOM 922 NH2 ARG A 117 30.689 20.886 41.346 1.00 0.00 ATOM 923 O ARG A 117 23.430 18.506 40.765 1.00 0.00 ATOM 924 C ARG A 117 24.354 17.704 40.659 1.00 0.00 ATOM 925 N ALA A 118 24.724 17.183 39.491 1.00 0.00 ATOM 926 CA ALA A 118 24.042 17.513 38.232 1.00 0.00 ATOM 927 CB ALA A 118 24.662 16.744 37.077 1.00 0.00 ATOM 928 O ALA A 118 21.765 17.717 37.498 1.00 0.00 ATOM 929 C ALA A 118 22.547 17.167 38.264 1.00 0.00 ATOM 930 N MET A 119 22.155 16.281 39.171 1.00 0.00 ATOM 931 CA MET A 119 20.762 15.880 39.312 1.00 0.00 ATOM 932 CB MET A 119 20.745 14.288 39.065 1.00 0.00 ATOM 933 CG MET A 119 20.867 13.842 37.634 1.00 0.00 ATOM 934 SD MET A 119 19.388 14.202 36.674 1.00 0.00 ATOM 935 CE MET A 119 18.264 13.045 37.403 1.00 0.00 ATOM 936 O MET A 119 18.812 16.514 40.569 1.00 0.00 ATOM 937 C MET A 119 19.971 16.788 40.254 1.00 0.00 ATOM 938 N HIS A 120 20.600 17.872 40.697 1.00 0.00 ATOM 939 CA HIS A 120 20.040 18.773 41.710 1.00 0.00 ATOM 940 CB HIS A 120 18.858 19.556 41.136 1.00 0.00 ATOM 941 CG HIS A 120 19.211 20.400 39.952 1.00 0.00 ATOM 942 CD2 HIS A 120 18.861 20.407 38.539 1.00 0.00 ATOM 943 ND1 HIS A 120 20.066 21.479 40.034 1.00 0.00 ATOM 944 CE1 HIS A 120 20.188 22.036 38.816 1.00 0.00 ATOM 945 NE2 HIS A 120 19.468 21.397 37.914 1.00 0.00 ATOM 946 O HIS A 120 18.520 18.400 43.538 1.00 0.00 ATOM 947 C HIS A 120 19.531 18.031 42.948 1.00 0.00 ATOM 948 N ALA A 121 20.227 16.959 43.304 1.00 0.00 ATOM 949 CA ALA A 121 19.942 16.199 44.523 1.00 0.00 ATOM 950 CB ALA A 121 19.927 17.123 45.731 1.00 0.00 ATOM 951 O ALA A 121 18.074 15.121 45.578 1.00 0.00 ATOM 952 C ALA A 121 18.587 15.477 44.520 1.00 0.00 ATOM 953 N CYS A 122 18.115 15.090 43.338 1.00 0.00 ATOM 954 CA CYS A 122 16.987 14.158 43.264 1.00 0.00 ATOM 955 CB CYS A 122 16.224 14.342 41.952 1.00 0.00 ATOM 956 SG CYS A 122 15.389 15.937 41.789 1.00 0.00 ATOM 957 O CYS A 122 16.605 11.794 43.346 1.00 0.00 ATOM 958 C CYS A 122 17.433 12.712 43.329 1.00 0.00 ATOM 959 N LEU A 123 18.887 12.401 43.400 1.00 0.00 ATOM 960 CA LEU A 123 19.456 11.054 43.377 1.00 0.00 ATOM 961 CB LEU A 123 20.337 10.867 42.141 1.00 0.00 ATOM 962 CG LEU A 123 19.649 11.032 40.785 1.00 0.00 ATOM 963 CD1 LEU A 123 20.662 10.949 39.654 1.00 0.00 ATOM 964 CD2 LEU A 123 18.609 9.942 40.575 1.00 0.00 ATOM 965 O LEU A 123 21.301 11.614 44.800 1.00 0.00 ATOM 966 C LEU A 123 20.438 10.780 44.510 1.00 0.00 ATOM 967 N ASP A 124 20.306 9.629 45.114 1.00 0.00 ATOM 968 CA ASP A 124 21.208 9.261 46.202 1.00 0.00 ATOM 969 CB ASP A 124 20.527 8.488 47.332 1.00 0.00 ATOM 970 CG ASP A 124 19.951 7.164 46.868 1.00 0.00 ATOM 971 OD1 ASP A 124 20.231 6.765 45.718 1.00 0.00 ATOM 972 OD2 ASP A 124 19.219 6.526 47.654 1.00 0.00 ATOM 973 O ASP A 124 22.489 8.305 44.413 1.00 0.00 ATOM 974 C ASP A 124 22.366 8.448 45.629 1.00 0.00 ATOM 975 N GLU A 125 23.213 7.949 46.517 1.00 0.00 ATOM 976 CA GLU A 125 24.369 7.164 46.086 1.00 0.00 ATOM 977 CB GLU A 125 24.893 6.786 47.716 1.00 0.00 ATOM 978 CG GLU A 125 23.862 5.927 48.352 1.00 0.00 ATOM 979 CD GLU A 125 24.193 5.545 49.778 1.00 0.00 ATOM 980 OE1 GLU A 125 24.794 4.472 49.952 1.00 0.00 ATOM 981 OE2 GLU A 125 23.842 6.215 50.763 1.00 0.00 ATOM 982 O GLU A 125 24.589 5.485 44.390 1.00 0.00 ATOM 983 C GLU A 125 23.927 5.902 45.339 1.00 0.00 ATOM 984 N SER A 126 22.786 5.361 45.738 1.00 0.00 ATOM 985 CA SER A 126 22.303 4.124 45.101 1.00 0.00 ATOM 986 CB SER A 126 21.248 3.528 46.035 1.00 0.00 ATOM 987 OG SER A 126 21.800 3.237 47.308 1.00 0.00 ATOM 988 O SER A 126 22.053 3.697 42.774 1.00 0.00 ATOM 989 C SER A 126 21.713 4.375 43.722 1.00 0.00 ATOM 990 N GLU A 127 20.808 5.336 43.616 1.00 0.00 ATOM 991 CA GLU A 127 20.214 5.645 42.330 1.00 0.00 ATOM 992 CB GLU A 127 19.117 6.699 42.495 1.00 0.00 ATOM 993 CG GLU A 127 17.892 6.206 43.248 1.00 0.00 ATOM 994 CD GLU A 127 16.858 7.295 43.456 1.00 0.00 ATOM 995 OE1 GLU A 127 17.118 8.446 43.046 1.00 0.00 ATOM 996 OE2 GLU A 127 15.788 6.998 44.028 1.00 0.00 ATOM 997 O GLU A 127 21.292 5.652 40.183 1.00 0.00 ATOM 998 C GLU A 127 21.339 5.995 41.361 1.00 0.00 ATOM 999 N ARG A 128 22.343 6.712 41.852 1.00 0.00 ATOM 1000 CA ARG A 128 23.388 7.260 40.998 1.00 0.00 ATOM 1001 CB ARG A 128 24.321 8.158 41.745 1.00 0.00 ATOM 1002 CG ARG A 128 25.015 7.549 42.946 1.00 0.00 ATOM 1003 CD ARG A 128 25.669 8.648 43.797 1.00 0.00 ATOM 1004 NE ARG A 128 26.339 7.998 44.929 1.00 0.00 ATOM 1005 CZ ARG A 128 27.173 8.616 45.746 1.00 0.00 ATOM 1006 NH1 ARG A 128 27.465 9.890 45.579 1.00 0.00 ATOM 1007 NH2 ARG A 128 27.723 7.894 46.731 1.00 0.00 ATOM 1008 O ARG A 128 24.504 6.128 39.209 1.00 0.00 ATOM 1009 C ARG A 128 24.220 6.127 40.406 1.00 0.00 ATOM 1010 N ALA A 129 24.573 5.161 41.221 1.00 0.00 ATOM 1011 CA ALA A 129 25.376 4.028 40.770 1.00 0.00 ATOM 1012 CB ALA A 129 25.805 3.178 41.955 1.00 0.00 ATOM 1013 O ALA A 129 25.183 2.676 38.806 1.00 0.00 ATOM 1014 C ALA A 129 24.605 3.144 39.778 1.00 0.00 ATOM 1015 N LEU A 130 23.338 2.933 40.028 1.00 0.00 ATOM 1016 CA LEU A 130 22.490 2.200 39.092 1.00 0.00 ATOM 1017 CB LEU A 130 21.089 1.979 39.668 1.00 0.00 ATOM 1018 CG LEU A 130 20.992 1.040 40.872 1.00 0.00 ATOM 1019 CD1 LEU A 130 19.585 1.051 41.449 1.00 0.00 ATOM 1020 CD2 LEU A 130 21.330 -0.387 40.470 1.00 0.00 ATOM 1021 O LEU A 130 22.479 2.325 36.695 1.00 0.00 ATOM 1022 C LEU A 130 22.386 2.957 37.775 1.00 0.00 ATOM 1023 N LEU A 131 22.259 4.271 37.833 1.00 0.00 ATOM 1024 CA LEU A 131 22.241 5.070 36.606 1.00 0.00 ATOM 1025 CB LEU A 131 22.109 6.554 36.958 1.00 0.00 ATOM 1026 CG LEU A 131 22.065 7.528 35.779 1.00 0.00 ATOM 1027 CD1 LEU A 131 20.860 7.245 34.894 1.00 0.00 ATOM 1028 CD2 LEU A 131 21.965 8.963 36.273 1.00 0.00 ATOM 1029 O LEU A 131 23.559 4.773 34.627 1.00 0.00 ATOM 1030 C LEU A 131 23.559 4.915 35.850 1.00 0.00 ATOM 1031 N ALA A 132 24.641 4.788 36.599 1.00 0.00 ATOM 1032 CA ALA A 132 25.952 4.564 35.992 1.00 0.00 ATOM 1033 CB ALA A 132 27.055 4.612 37.043 1.00 0.00 ATOM 1034 O ALA A 132 26.465 3.042 34.202 1.00 0.00 ATOM 1035 C ALA A 132 25.969 3.194 35.320 1.00 0.00 ATOM 1036 N ALA A 133 25.420 2.170 36.001 1.00 0.00 ATOM 1037 CA ALA A 133 25.355 0.820 35.452 1.00 0.00 ATOM 1038 CB ALA A 133 24.682 -0.115 36.445 1.00 0.00 ATOM 1039 O ALA A 133 24.880 0.139 33.188 1.00 0.00 ATOM 1040 C ALA A 133 24.537 0.838 34.164 1.00 0.00 ATOM 1041 N ALA A 134 23.448 1.624 34.122 1.00 0.00 ATOM 1042 CA ALA A 134 22.606 1.682 32.933 1.00 0.00 ATOM 1043 CB ALA A 134 21.434 2.610 33.213 1.00 0.00 ATOM 1044 O ALA A 134 23.286 1.602 30.651 1.00 0.00 ATOM 1045 C ALA A 134 23.384 2.180 31.714 1.00 0.00 ATOM 1046 N GLY A 135 24.141 3.262 31.842 1.00 0.00 ATOM 1047 CA GLY A 135 24.842 3.815 30.673 1.00 0.00 ATOM 1048 O GLY A 135 25.996 2.509 29.026 1.00 0.00 ATOM 1049 C GLY A 135 25.939 2.818 30.201 1.00 0.00 ATOM 1050 N PRO A 136 26.735 2.311 31.114 1.00 0.00 ATOM 1051 CA PRO A 136 27.657 1.215 30.726 1.00 0.00 ATOM 1052 CB PRO A 136 28.252 0.777 32.004 1.00 0.00 ATOM 1053 CG PRO A 136 28.383 2.073 32.789 1.00 0.00 ATOM 1054 CD PRO A 136 27.026 2.772 32.491 1.00 0.00 ATOM 1055 O PRO A 136 27.477 -0.413 28.976 1.00 0.00 ATOM 1056 C PRO A 136 27.007 0.022 30.021 1.00 0.00 ATOM 1057 N LEU A 137 25.905 -0.463 30.554 1.00 0.00 ATOM 1058 CA LEU A 137 25.179 -1.554 29.934 1.00 0.00 ATOM 1059 CB LEU A 137 23.995 -1.972 30.806 1.00 0.00 ATOM 1060 CG LEU A 137 23.143 -3.131 30.283 1.00 0.00 ATOM 1061 CD1 LEU A 137 23.979 -4.395 30.153 1.00 0.00 ATOM 1062 CD2 LEU A 137 21.987 -3.420 31.228 1.00 0.00 ATOM 1063 O LEU A 137 24.747 -1.962 27.581 1.00 0.00 ATOM 1064 C LEU A 137 24.632 -1.179 28.539 1.00 0.00 ATOM 1065 N LEU A 138 24.043 0.008 28.414 1.00 0.00 ATOM 1066 CA LEU A 138 23.569 0.456 27.107 1.00 0.00 ATOM 1067 CB LEU A 138 22.881 1.817 27.224 1.00 0.00 ATOM 1068 CG LEU A 138 21.544 1.839 27.970 1.00 0.00 ATOM 1069 CD1 LEU A 138 21.064 3.269 28.171 1.00 0.00 ATOM 1070 CD2 LEU A 138 20.480 1.086 27.189 1.00 0.00 ATOM 1071 O LEU A 138 24.566 0.280 24.933 1.00 0.00 ATOM 1072 C LEU A 138 24.698 0.611 26.100 1.00 0.00 ATOM 1073 N THR A 139 25.849 1.161 26.554 1.00 0.00 ATOM 1074 CA THR A 139 26.985 1.382 25.687 1.00 0.00 ATOM 1075 CB THR A 139 28.089 2.084 26.496 1.00 0.00 ATOM 1076 CG2 THR A 139 29.367 2.312 25.662 1.00 0.00 ATOM 1077 OG1 THR A 139 27.613 3.360 26.897 1.00 0.00 ATOM 1078 O THR A 139 27.875 -0.029 23.949 1.00 0.00 ATOM 1079 C THR A 139 27.499 0.052 25.126 1.00 0.00 ATOM 1080 N ARG A 140 27.557 -0.986 25.956 1.00 0.00 ATOM 1081 CA ARG A 140 28.041 -2.272 25.457 1.00 0.00 ATOM 1082 CB ARG A 140 28.238 -3.222 26.706 1.00 0.00 ATOM 1083 CG ARG A 140 29.492 -2.698 27.502 1.00 0.00 ATOM 1084 CD ARG A 140 29.668 -3.503 28.779 1.00 0.00 ATOM 1085 NE ARG A 140 28.515 -3.447 29.666 1.00 0.00 ATOM 1086 CZ ARG A 140 28.434 -3.953 30.894 1.00 0.00 ATOM 1087 NH1 ARG A 140 29.470 -4.605 31.424 1.00 0.00 ATOM 1088 NH2 ARG A 140 27.323 -3.839 31.608 1.00 0.00 ATOM 1089 O ARG A 140 27.556 -3.417 23.415 1.00 0.00 ATOM 1090 C ARG A 140 27.103 -2.842 24.404 1.00 0.00 ATOM 1091 N LEU A 141 25.796 -2.698 24.611 1.00 0.00 ATOM 1092 CA LEU A 141 24.835 -3.212 23.645 1.00 0.00 ATOM 1093 CB LEU A 141 23.407 -3.064 24.177 1.00 0.00 ATOM 1094 CG LEU A 141 23.031 -3.952 25.363 1.00 0.00 ATOM 1095 CD1 LEU A 141 21.658 -3.578 25.902 1.00 0.00 ATOM 1096 CD2 LEU A 141 22.996 -5.415 24.951 1.00 0.00 ATOM 1097 O LEU A 141 24.936 -3.053 21.252 1.00 0.00 ATOM 1098 C LEU A 141 24.961 -2.450 22.327 1.00 0.00 ATOM 1099 N ALA A 142 25.094 -1.135 22.414 1.00 0.00 ATOM 1100 CA ALA A 142 25.237 -0.319 21.208 1.00 0.00 ATOM 1101 CB ALA A 142 25.221 1.152 21.537 1.00 0.00 ATOM 1102 O ALA A 142 26.503 -0.808 19.223 1.00 0.00 ATOM 1103 C ALA A 142 26.504 -0.709 20.452 1.00 0.00 ATOM 1104 N GLN A 143 27.582 -0.959 21.195 1.00 0.00 ATOM 1105 CA GLN A 143 28.843 -1.354 20.584 1.00 0.00 ATOM 1106 CB GLN A 143 29.967 -1.497 21.567 1.00 0.00 ATOM 1107 CG GLN A 143 31.250 -2.027 20.934 1.00 0.00 ATOM 1108 CD GLN A 143 32.441 -1.960 21.863 1.00 0.00 ATOM 1109 OE1 GLN A 143 32.329 -2.239 23.054 1.00 0.00 ATOM 1110 NE2 GLN A 143 33.599 -1.604 21.315 1.00 0.00 ATOM 1111 O GLN A 143 29.184 -2.944 18.812 1.00 0.00 ATOM 1112 C GLN A 143 28.680 -2.712 19.915 1.00 0.00 ATOM 1113 N PHE A 144 27.972 -3.611 20.590 1.00 0.00 ATOM 1114 CA PHE A 144 27.722 -4.950 20.070 1.00 0.00 ATOM 1115 CB PHE A 144 26.883 -5.761 21.059 1.00 0.00 ATOM 1116 CG PHE A 144 26.547 -7.143 20.579 1.00 0.00 ATOM 1117 CD1 PHE A 144 27.477 -8.165 20.658 1.00 0.00 ATOM 1118 CD2 PHE A 144 25.301 -7.422 20.045 1.00 0.00 ATOM 1119 CE1 PHE A 144 27.168 -9.437 20.215 1.00 0.00 ATOM 1120 CE2 PHE A 144 24.991 -8.695 19.602 1.00 0.00 ATOM 1121 CZ PHE A 144 25.918 -9.700 19.686 1.00 0.00 ATOM 1122 O PHE A 144 27.326 -5.544 17.771 1.00 0.00 ATOM 1123 C PHE A 144 26.968 -4.871 18.742 1.00 0.00 ATOM 1124 N GLU A 145 25.926 -4.044 18.691 1.00 0.00 ATOM 1125 CA GLU A 145 25.140 -3.910 17.472 1.00 0.00 ATOM 1126 CB GLU A 145 23.939 -2.993 17.708 1.00 0.00 ATOM 1127 CG GLU A 145 22.858 -3.600 18.589 1.00 0.00 ATOM 1128 CD GLU A 145 21.728 -2.630 18.878 1.00 0.00 ATOM 1129 OE1 GLU A 145 21.825 -1.462 18.448 1.00 0.00 ATOM 1130 OE2 GLU A 145 20.748 -3.039 19.533 1.00 0.00 ATOM 1131 O GLU A 145 25.761 -3.695 15.175 1.00 0.00 ATOM 1132 C GLU A 145 25.952 -3.319 16.332 1.00 0.00 ATOM 1133 N GLU A 146 26.865 -2.415 16.641 1.00 0.00 ATOM 1134 CA GLU A 146 27.713 -1.791 15.633 1.00 0.00 ATOM 1135 CB GLU A 146 27.390 -0.301 15.510 1.00 0.00 ATOM 1136 CG GLU A 146 26.004 -0.009 14.961 1.00 0.00 ATOM 1137 CD GLU A 146 25.714 1.476 14.867 1.00 0.00 ATOM 1138 OE1 GLU A 146 26.626 2.278 15.154 1.00 0.00 ATOM 1139 OE2 GLU A 146 24.574 1.837 14.506 1.00 0.00 ATOM 1140 O GLU A 146 29.762 -1.052 16.635 1.00 0.00 ATOM 1141 C GLU A 146 29.170 -1.957 16.045 1.00 0.00 ATOM 1142 N PRO A 147 29.777 -3.115 15.714 1.00 0.00 ATOM 1143 CA PRO A 147 31.174 -3.424 16.051 1.00 0.00 ATOM 1144 CB PRO A 147 31.489 -4.642 15.179 1.00 0.00 ATOM 1145 CG PRO A 147 30.154 -5.313 15.017 1.00 0.00 ATOM 1146 CD PRO A 147 29.195 -4.164 14.846 1.00 0.00 ATOM 1147 O PRO A 147 31.981 -1.643 14.670 1.00 0.00 ATOM 1148 C PRO A 147 32.113 -2.272 15.717 1.00 0.00 ENDMDL EXPDTA 2hr3A MODEL 2 REMARK 44 REMARK 44 model 2 is called 2hr3A ATOM 1 N PRO 2 -0.290 -6.119 26.057 1.00 0.00 ATOM 2 CA PRO 2 0.684 -5.017 26.184 1.00 0.00 ATOM 3 CB PRO 2 1.923 -5.596 25.500 1.00 0.00 ATOM 4 CG PRO 2 1.873 -7.080 25.906 1.00 0.00 ATOM 5 CD PRO 2 0.378 -7.431 26.143 1.00 0.00 ATOM 6 O PRO 2 0.311 -3.523 24.320 1.00 0.00 ATOM 7 C PRO 2 0.242 -3.673 25.548 1.00 0.00 ATOM 8 N THR 3 -0.201 -2.709 26.376 1.00 0.00 ATOM 9 CA THR 3 -0.694 -1.437 25.848 1.00 0.00 ATOM 10 CB THR 3 -1.360 -0.476 26.897 1.00 0.00 ATOM 11 CG2 THR 3 -2.475 0.390 26.237 1.00 0.00 ATOM 12 OG1 THR 3 -1.937 -1.218 27.975 1.00 0.00 ATOM 13 O THR 3 1.598 -0.814 25.493 1.00 0.00 ATOM 14 C THR 3 0.421 -0.658 25.193 1.00 0.00 ATOM 15 N ASN 4 -0.005 0.172 24.258 1.00 0.00 ATOM 16 CA ASN 4 0.848 1.117 23.586 1.00 0.00 ATOM 17 CB ASN 4 0.043 1.785 22.432 1.00 0.00 ATOM 18 CG ASN 4 -0.531 0.744 21.410 1.00 0.00 ATOM 19 ND2 ASN 4 -1.856 0.779 21.200 1.00 0.00 ATOM 20 OD1 ASN 4 0.211 -0.072 20.836 1.00 0.00 ATOM 21 O ASN 4 2.557 2.594 24.469 1.00 0.00 ATOM 22 C ASN 4 1.405 2.127 24.616 1.00 0.00 ATOM 23 N GLN 5 0.614 2.413 25.665 1.00 0.00 ATOM 24 CA GLN 5 1.022 3.334 26.753 1.00 0.00 ATOM 25 CB GLN 5 -0.165 3.647 27.666 1.00 0.00 ATOM 26 O GLN 5 2.823 3.526 28.304 1.00 0.00 ATOM 27 C GLN 5 2.134 2.795 27.625 1.00 0.00 ATOM 28 N ASP 6 2.244 1.477 27.633 1.00 0.00 ATOM 29 CA ASP 6 3.294 0.734 28.314 1.00 0.00 ATOM 30 CB ASP 6 2.798 -0.723 28.606 1.00 0.00 ATOM 31 CG ASP 6 1.417 -0.755 29.337 1.00 0.00 ATOM 32 OD1 ASP 6 1.306 -0.086 30.402 1.00 0.00 ATOM 33 OD2 ASP 6 0.441 -1.413 28.854 1.00 0.00 ATOM 34 O ASP 6 5.638 0.893 27.864 1.00 0.00 ATOM 35 C ASP 6 4.505 0.791 27.398 1.00 0.00 ATOM 36 N LEU 7 4.266 0.729 26.085 1.00 0.00 ATOM 37 CA LEU 7 5.335 0.885 25.074 1.00 0.00 ATOM 38 CB LEU 7 4.786 0.632 23.654 1.00 0.00 ATOM 39 CG LEU 7 4.371 -0.797 23.259 1.00 0.00 ATOM 40 O LEU 7 7.174 2.417 25.256 1.00 0.00 ATOM 41 C LEU 7 5.962 2.298 25.165 1.00 0.00 ATOM 42 N GLN 8 5.152 3.365 25.186 1.00 0.00 ATOM 43 CA GLN 8 5.688 4.706 25.483 1.00 0.00 ATOM 44 CB GLN 8 4.705 5.787 25.191 1.00 0.00 ATOM 45 CG GLN 8 4.389 5.964 23.689 1.00 0.00 ATOM 46 O GLN 8 7.255 5.662 27.010 1.00 0.00 ATOM 47 C GLN 8 6.314 4.912 26.876 1.00 0.00 ATOM 48 N LEU 9 5.898 4.189 27.896 1.00 0.00 ATOM 49 CA LEU 9 6.611 4.268 29.190 1.00 0.00 ATOM 50 CB LEU 9 5.766 3.595 30.293 1.00 0.00 ATOM 51 CG LEU 9 6.499 3.391 31.644 1.00 0.00 ATOM 52 CD1 LEU 9 6.888 4.740 32.313 1.00 0.00 ATOM 53 CD2 LEU 9 5.721 2.535 32.618 1.00 0.00 ATOM 54 O LEU 9 8.988 4.240 29.591 1.00 0.00 ATOM 55 C LEU 9 8.001 3.667 29.123 1.00 0.00 ATOM 56 N ALA 10 8.098 2.503 28.493 1.00 0.00 ATOM 57 CA ALA 10 9.383 1.844 28.184 1.00 0.00 ATOM 58 CB ALA 10 9.066 0.562 27.483 1.00 0.00 ATOM 59 O ALA 10 11.493 2.763 27.647 1.00 0.00 ATOM 60 C ALA 10 10.353 2.678 27.337 1.00 0.00 ATOM 61 N ALA 11 9.899 3.267 26.234 1.00 0.00 ATOM 62 CA ALA 11 10.659 4.237 25.418 1.00 0.00 ATOM 63 CB ALA 11 9.716 4.814 24.355 1.00 0.00 ATOM 64 O ALA 11 12.402 5.723 26.154 1.00 0.00 ATOM 65 C ALA 11 11.230 5.406 26.224 1.00 0.00 ATOM 66 N HIS 12 10.383 6.029 27.025 1.00 0.00 ATOM 67 CA HIS 12 10.812 7.060 27.955 1.00 0.00 ATOM 68 CB HIS 12 9.588 7.598 28.673 1.00 0.00 ATOM 69 CG HIS 12 8.671 8.323 27.770 1.00 0.00 ATOM 70 CD2 HIS 12 8.912 8.991 26.621 1.00 0.00 ATOM 71 ND1 HIS 12 7.320 8.399 27.990 1.00 0.00 ATOM 72 CE1 HIS 12 6.764 9.118 27.034 1.00 0.00 ATOM 73 NE2 HIS 12 7.708 9.470 26.177 1.00 0.00 ATOM 74 O HIS 12 12.867 7.227 29.139 1.00 0.00 ATOM 75 C HIS 12 11.833 6.620 28.991 1.00 0.00 ATOM 76 N LEU 13 11.502 5.583 29.744 1.00 0.00 ATOM 77 CA LEU 13 12.423 5.036 30.719 1.00 0.00 ATOM 78 CB LEU 13 11.836 3.815 31.416 1.00 0.00 ATOM 79 CG LEU 13 12.737 3.174 32.462 1.00 0.00 ATOM 80 CD1 LEU 13 13.254 4.190 33.449 1.00 0.00 ATOM 81 CD2 LEU 13 12.006 2.177 33.166 1.00 0.00 ATOM 82 O LEU 13 14.795 5.105 30.594 1.00 0.00 ATOM 83 C LEU 13 13.755 4.707 30.078 1.00 0.00 ATOM 84 N ARG 14 13.751 3.970 28.965 1.00 0.00 ATOM 85 CA ARG 14 14.990 3.738 28.192 1.00 0.00 ATOM 86 CB ARG 14 14.653 3.071 26.848 1.00 0.00 ATOM 87 CG ARG 14 15.957 2.633 26.038 1.00 0.00 ATOM 88 CD ARG 14 15.711 2.191 24.592 1.00 0.00 ATOM 89 NE ARG 14 14.834 3.083 23.825 1.00 0.00 ATOM 90 CZ ARG 14 15.204 4.291 23.379 1.00 0.00 ATOM 91 NH1 ARG 14 16.376 4.798 23.648 1.00 0.00 ATOM 92 NH2 ARG 14 14.369 5.038 22.694 1.00 0.00 ATOM 93 O ARG 14 17.010 5.086 28.059 1.00 0.00 ATOM 94 C ARG 14 15.799 5.033 27.887 1.00 0.00 ATOM 95 N SER 15 15.142 6.072 27.393 1.00 0.00 ATOM 96 CA SER 15 15.914 7.227 26.928 1.00 0.00 ATOM 97 CB SER 15 15.128 8.172 25.990 1.00 0.00 ATOM 98 OG SER 15 14.092 8.812 26.714 1.00 0.00 ATOM 99 O SER 15 17.622 8.271 28.149 1.00 0.00 ATOM 100 C SER 15 16.465 7.947 28.133 1.00 0.00 ATOM 101 N GLN 16 15.684 8.020 29.184 1.00 0.00 ATOM 102 CA GLN 16 16.092 8.675 30.420 1.00 0.00 ATOM 103 CB GLN 16 14.947 8.606 31.377 1.00 0.00 ATOM 104 CG GLN 16 13.782 9.456 30.929 1.00 0.00 ATOM 105 CD GLN 16 12.414 9.000 31.458 1.00 0.00 ATOM 106 OE1 GLN 16 12.275 7.992 32.170 1.00 0.00 ATOM 107 NE2 GLN 16 11.417 9.772 31.143 1.00 0.00 ATOM 108 O GLN 16 18.017 8.816 31.788 1.00 0.00 ATOM 109 C GLN 16 17.285 8.095 31.133 1.00 0.00 ATOM 110 N VAL 17 17.348 6.772 31.155 1.00 0.00 ATOM 111 CA VAL 17 18.292 6.025 31.938 1.00 0.00 ATOM 112 CB VAL 17 17.735 4.591 32.254 1.00 0.00 ATOM 113 CG1 VAL 17 18.785 3.611 32.337 1.00 0.00 ATOM 114 CG2 VAL 17 16.958 4.551 33.541 1.00 0.00 ATOM 115 O VAL 17 20.618 6.038 31.605 1.00 0.00 ATOM 116 C VAL 17 19.547 5.983 31.083 1.00 0.00 ATOM 117 N THR 18 19.423 5.925 29.757 1.00 0.00 ATOM 118 CA THR 18 20.623 5.869 28.886 1.00 0.00 ATOM 119 CB THR 18 20.420 5.155 27.511 1.00 0.00 ATOM 120 CG2 THR 18 19.635 3.812 27.599 1.00 0.00 ATOM 121 OG1 THR 18 19.772 5.998 26.579 1.00 0.00 ATOM 122 O THR 18 22.408 7.470 28.859 1.00 0.00 ATOM 123 C THR 18 21.220 7.276 28.748 1.00 0.00 ATOM 124 N THR 19 20.374 8.246 28.560 1.00 0.00 ATOM 125 CA THR 19 20.787 9.614 28.613 1.00 0.00 ATOM 126 CB THR 19 19.585 10.525 28.363 1.00 0.00 ATOM 127 CG2 THR 19 20.004 11.987 28.430 1.00 0.00 ATOM 128 OG1 THR 19 19.068 10.230 27.055 1.00 0.00 ATOM 129 O THR 19 22.488 10.729 29.836 1.00 0.00 ATOM 130 C THR 19 21.455 10.037 29.919 1.00 0.00 ATOM 131 N LEU 20 20.907 9.686 31.094 1.00 0.00 ATOM 132 CA LEU 20 21.622 9.992 32.304 1.00 0.00 ATOM 133 CB LEU 20 20.789 9.780 33.559 1.00 0.00 ATOM 134 CG LEU 20 21.397 10.168 34.909 1.00 0.00 ATOM 135 CD1 LEU 20 21.884 11.607 34.979 1.00 0.00 ATOM 136 CD2 LEU 20 20.483 9.940 36.125 1.00 0.00 ATOM 137 O LEU 20 23.952 9.848 32.798 1.00 0.00 ATOM 138 C LEU 20 22.969 9.259 32.378 1.00 0.00 ATOM 139 N THR 21 23.020 7.964 32.001 1.00 0.00 ATOM 140 CA THR 21 24.279 7.167 31.959 1.00 0.00 ATOM 141 CB THR 21 23.964 5.718 31.505 1.00 0.00 ATOM 142 CG2 THR 21 25.305 4.822 31.290 1.00 0.00 ATOM 143 OG1 THR 21 23.085 5.093 32.443 1.00 0.00 ATOM 144 O THR 21 26.612 7.708 31.350 1.00 0.00 ATOM 145 C THR 21 25.408 7.776 31.048 1.00 0.00 ATOM 146 N ARG 22 25.011 8.374 29.947 1.00 0.00 ATOM 147 CA ARG 22 25.952 9.016 29.004 1.00 0.00 ATOM 148 CB ARG 22 25.232 9.183 27.658 1.00 0.00 ATOM 149 CG ARG 22 26.120 9.615 26.515 1.00 0.00 ATOM 150 CD ARG 22 25.513 9.410 25.096 1.00 0.00 ATOM 151 NE ARG 22 24.656 8.215 25.038 1.00 0.00 ATOM 152 CZ ARG 22 23.326 8.247 24.904 1.00 0.00 ATOM 153 NH1 ARG 22 22.641 9.405 24.819 1.00 0.00 ATOM 154 NH2 ARG 22 22.665 7.098 24.877 1.00 0.00 ATOM 155 O ARG 22 27.702 10.725 29.274 1.00 0.00 ATOM 156 C ARG 22 26.534 10.394 29.520 1.00 0.00 ATOM 157 N ARG 23 25.712 11.160 30.233 1.00 0.00 ATOM 158 CA ARG 23 26.148 12.322 30.981 1.00 0.00 ATOM 159 CB ARG 23 24.932 13.032 31.580 1.00 0.00 ATOM 160 CG ARG 23 25.226 14.397 32.203 1.00 0.00 ATOM 161 CD ARG 23 25.855 15.387 31.238 1.00 0.00 ATOM 162 NE ARG 23 26.443 16.399 32.048 1.00 0.00 ATOM 163 CZ ARG 23 25.766 17.429 32.521 1.00 0.00 ATOM 164 NH1 ARG 23 24.471 17.613 32.205 1.00 0.00 ATOM 165 NH2 ARG 23 26.394 18.305 33.303 1.00 0.00 ATOM 166 O ARG 23 28.206 12.559 32.143 1.00 0.00 ATOM 167 C ARG 23 27.157 11.980 32.065 1.00 0.00 ATOM 168 N LEU 24 26.868 10.984 32.866 1.00 0.00 ATOM 169 CA LEU 24 27.800 10.477 33.868 1.00 0.00 ATOM 170 CB LEU 24 27.191 9.297 34.601 1.00 0.00 ATOM 171 CG LEU 24 26.113 9.487 35.632 1.00 0.00 ATOM 172 CD1 LEU 24 25.356 8.173 35.960 1.00 0.00 ATOM 173 CD2 LEU 24 26.695 10.053 36.871 1.00 0.00 ATOM 174 O LEU 24 30.153 10.049 33.912 1.00 0.00 ATOM 175 C LEU 24 29.099 10.010 33.248 1.00 0.00 ATOM 176 N ARG 25 29.023 9.538 31.999 1.00 0.00 ATOM 177 CA ARG 25 30.235 9.184 31.215 1.00 0.00 ATOM 178 CB ARG 25 29.909 8.514 29.873 1.00 0.00 ATOM 179 CG ARG 25 29.746 7.035 30.016 1.00 0.00 ATOM 180 O ARG 25 32.242 10.386 31.343 1.00 0.00 ATOM 181 C ARG 25 31.097 10.404 30.998 1.00 0.00 ATOM 182 N ARG 26 30.527 11.464 30.460 1.00 0.00 ATOM 183 CA ARG 26 31.208 12.781 30.356 1.00 0.00 ATOM 184 CB ARG 26 30.247 13.792 29.713 1.00 0.00 ATOM 185 O ARG 26 32.717 14.115 31.707 1.00 0.00 ATOM 186 C ARG 26 31.755 13.364 31.682 1.00 0.00 ATOM 187 N GLU 27 31.140 13.020 32.797 1.00 0.00 ATOM 188 CA GLU 27 31.621 13.480 34.106 1.00 0.00 ATOM 189 CB GLU 27 30.426 13.457 35.063 1.00 0.00 ATOM 190 CG GLU 27 29.345 14.468 34.554 1.00 0.00 ATOM 191 CD GLU 27 29.841 15.936 34.541 1.00 0.00 ATOM 192 OE1 GLU 27 30.881 16.199 35.165 1.00 0.00 ATOM 193 OE2 GLU 27 29.186 16.813 33.937 1.00 0.00 ATOM 194 O GLU 27 33.419 13.065 35.681 1.00 0.00 ATOM 195 C GLU 27 32.862 12.725 34.653 1.00 0.00 ATOM 196 N ALA 28 33.273 11.673 33.952 1.00 0.00 ATOM 197 CA ALA 28 34.508 10.983 34.266 1.00 0.00 ATOM 198 CB ALA 28 34.671 9.734 33.397 1.00 0.00 ATOM 199 O ALA 28 36.686 11.792 34.823 1.00 0.00 ATOM 200 C ALA 28 35.699 11.925 34.097 1.00 0.00 ATOM 201 N GLN 29 35.573 12.890 33.172 1.00 0.00 ATOM 202 CA GLN 29 36.600 13.937 32.899 1.00 0.00 ATOM 203 CB GLN 29 36.825 14.870 34.112 1.00 0.00 ATOM 204 O GLN 29 39.014 13.737 32.822 1.00 0.00 ATOM 205 C GLN 29 37.918 13.317 32.433 1.00 0.00 ATOM 206 N ALA 30 37.785 12.318 31.579 1.00 0.00 ATOM 207 CA ALA 30 38.894 11.440 31.233 1.00 0.00 ATOM 208 CB ALA 30 38.672 10.045 31.875 1.00 0.00 ATOM 209 O ALA 30 37.880 10.917 29.126 1.00 0.00 ATOM 210 C ALA 30 38.911 11.325 29.715 1.00 0.00 ATOM 211 N ASP 31 40.041 11.691 29.097 1.00 0.00 ATOM 212 CA ASP 31 40.330 11.459 27.661 1.00 0.00 ATOM 213 CB ASP 31 41.800 11.835 27.352 1.00 0.00 ATOM 214 CG ASP 31 42.805 11.053 28.169 1.00 0.00 ATOM 215 OD1 ASP 31 43.835 11.626 28.574 1.00 0.00 ATOM 216 OD2 ASP 31 42.573 9.850 28.410 1.00 0.00 ATOM 217 O ASP 31 39.675 9.172 28.028 1.00 0.00 ATOM 218 C ASP 31 40.008 10.023 27.199 1.00 0.00 ATOM 219 N PRO 32 40.018 9.763 25.867 1.00 0.00 ATOM 220 CA PRO 32 39.831 8.404 25.282 1.00 0.00 ATOM 221 CB PRO 32 40.328 8.576 23.833 1.00 0.00 ATOM 222 CG PRO 32 40.659 10.016 23.662 1.00 0.00 ATOM 223 CD PRO 32 40.055 10.765 24.792 1.00 0.00 ATOM 224 O PRO 32 39.898 6.159 26.167 1.00 0.00 ATOM 225 C PRO 32 40.545 7.206 25.925 1.00 0.00 ATOM 226 N VAL 33 41.857 7.358 26.144 1.00 0.00 ATOM 227 CA VAL 33 42.699 6.311 26.722 1.00 0.00 ATOM 228 CB VAL 33 44.229 6.691 26.727 1.00 0.00 ATOM 229 O VAL 33 41.999 4.790 28.438 1.00 0.00 ATOM 230 C VAL 33 42.226 5.961 28.136 1.00 0.00 ATOM 231 N GLN 34 42.059 6.988 28.975 1.00 0.00 ATOM 232 CA GLN 34 41.611 6.826 30.358 1.00 0.00 ATOM 233 CB GLN 34 41.668 8.176 31.100 1.00 0.00 ATOM 234 CG GLN 34 43.128 8.581 31.451 1.00 0.00 ATOM 235 CD GLN 34 43.371 10.086 31.543 1.00 0.00 ATOM 236 OE1 GLN 34 42.437 10.885 31.754 1.00 0.00 ATOM 237 NE2 GLN 34 44.645 10.490 31.357 1.00 0.00 ATOM 238 O GLN 34 39.899 5.435 31.319 1.00 0.00 ATOM 239 C GLN 34 40.231 6.253 30.426 1.00 0.00 ATOM 240 N PHE 35 39.383 6.693 29.509 1.00 0.00 ATOM 241 CA PHE 35 38.011 6.202 29.532 1.00 0.00 ATOM 242 CB PHE 35 37.081 7.004 28.633 1.00 0.00 ATOM 243 CG PHE 35 35.664 6.515 28.720 1.00 0.00 ATOM 244 CD1 PHE 35 35.074 5.806 27.661 1.00 0.00 ATOM 245 CD2 PHE 35 34.953 6.645 29.919 1.00 0.00 ATOM 246 CE1 PHE 35 33.762 5.290 27.771 1.00 0.00 ATOM 247 CE2 PHE 35 33.645 6.117 30.047 1.00 0.00 ATOM 248 CZ PHE 35 33.059 5.432 28.971 1.00 0.00 ATOM 249 O PHE 35 37.179 3.961 29.837 1.00 0.00 ATOM 250 C PHE 35 37.909 4.713 29.191 1.00 0.00 ATOM 251 N SER 36 38.612 4.296 28.160 1.00 0.00 ATOM 252 CA SER 36 38.618 2.904 27.750 1.00 0.00 ATOM 253 CB SER 36 39.535 2.725 26.538 1.00 0.00 ATOM 254 OG SER 36 40.565 3.694 26.543 1.00 0.00 ATOM 255 O SER 36 38.594 0.899 29.081 1.00 0.00 ATOM 256 C SER 36 39.103 2.005 28.878 1.00 0.00 ATOM 257 N GLN 37 40.064 2.534 29.625 1.00 0.00 ATOM 258 CA GLN 37 40.665 1.851 30.743 1.00 0.00 ATOM 259 CB GLN 37 41.932 2.594 31.097 1.00 0.00 ATOM 260 CG GLN 37 42.989 2.217 30.138 1.00 0.00 ATOM 261 CD GLN 37 44.244 3.044 30.274 1.00 0.00 ATOM 262 OE1 GLN 37 45.237 2.711 29.611 1.00 0.00 ATOM 263 NE2 GLN 37 44.232 4.092 31.147 1.00 0.00 ATOM 264 O GLN 37 39.835 0.731 32.678 1.00 0.00 ATOM 265 C GLN 37 39.823 1.740 31.973 1.00 0.00 ATOM 266 N LEU 38 39.097 2.795 32.227 1.00 0.00 ATOM 267 CA LEU 38 38.131 2.845 33.306 1.00 0.00 ATOM 268 CB LEU 38 37.454 4.194 33.299 1.00 0.00 ATOM 269 CG LEU 38 37.176 4.631 34.730 1.00 0.00 ATOM 270 CD1 LEU 38 38.388 5.291 35.430 1.00 0.00 ATOM 271 CD2 LEU 38 35.965 5.525 34.706 1.00 0.00 ATOM 272 O LEU 38 36.753 1.161 34.171 1.00 0.00 ATOM 273 C LEU 38 37.051 1.791 33.202 1.00 0.00 ATOM 274 N VAL 39 36.453 1.682 32.017 1.00 0.00 ATOM 275 CA VAL 39 35.482 0.635 31.674 1.00 0.00 ATOM 276 CB VAL 39 35.158 0.666 30.130 1.00 0.00 ATOM 277 CG1 VAL 39 34.446 -0.544 29.682 1.00 0.00 ATOM 278 CG2 VAL 39 34.378 1.918 29.753 1.00 0.00 ATOM 279 O VAL 39 35.403 -1.469 32.765 1.00 0.00 ATOM 280 C VAL 39 36.026 -0.750 32.011 1.00 0.00 ATOM 281 N VAL 40 37.224 -1.094 31.511 1.00 0.00 ATOM 282 CA VAL 40 37.810 -2.386 31.840 1.00 0.00 ATOM 283 CB VAL 40 39.181 -2.591 31.078 1.00 0.00 ATOM 284 CG1 VAL 40 39.911 -3.859 31.534 1.00 0.00 ATOM 285 CG2 VAL 40 38.924 -2.625 29.578 1.00 0.00 ATOM 286 O VAL 40 37.495 -3.564 33.942 1.00 0.00 ATOM 287 C VAL 40 37.925 -2.551 33.363 1.00 0.00 ATOM 288 N LEU 41 38.489 -1.551 34.016 1.00 0.00 ATOM 289 CA LEU 41 38.661 -1.531 35.491 1.00 0.00 ATOM 290 CB LEU 41 39.249 -0.176 35.907 1.00 0.00 ATOM 291 CG LEU 41 40.661 0.031 36.499 1.00 0.00 ATOM 292 CD1 LEU 41 41.693 -0.917 35.982 1.00 0.00 ATOM 293 CD2 LEU 41 41.026 1.459 36.322 1.00 0.00 ATOM 294 O LEU 41 37.317 -2.393 37.321 1.00 0.00 ATOM 295 C LEU 41 37.384 -1.699 36.275 1.00 0.00 ATOM 296 N GLY 42 36.354 -1.020 35.789 1.00 0.00 ATOM 297 CA GLY 42 35.128 -1.034 36.507 1.00 0.00 ATOM 298 O GLY 42 33.862 -2.822 37.282 1.00 0.00 ATOM 299 C GLY 42 34.471 -2.368 36.359 1.00 0.00 ATOM 300 N ALA 43 34.530 -2.915 35.151 1.00 0.00 ATOM 301 CA ALA 43 34.148 -4.248 34.863 1.00 0.00 ATOM 302 CB ALA 43 34.412 -4.529 33.420 1.00 0.00 ATOM 303 O ALA 43 34.097 -6.191 36.261 1.00 0.00 ATOM 304 C ALA 43 34.788 -5.310 35.750 1.00 0.00 ATOM 305 N ILE 44 36.094 -5.229 35.984 1.00 0.00 ATOM 306 CA ILE 44 36.774 -6.204 36.864 1.00 0.00 ATOM 307 CB ILE 44 38.301 -5.900 36.884 1.00 0.00 ATOM 308 CG1 ILE 44 38.942 -6.326 35.563 1.00 0.00 ATOM 309 CG2 ILE 44 38.973 -6.517 38.046 1.00 0.00 ATOM 310 CD1 ILE 44 40.266 -5.705 35.268 1.00 0.00 ATOM 311 O ILE 44 36.237 -7.143 39.027 1.00 0.00 ATOM 312 C ILE 44 36.280 -6.132 38.313 1.00 0.00 ATOM 313 N ASP 45 36.026 -4.906 38.788 1.00 0.00 ATOM 314 CA ASP 45 35.605 -4.715 40.166 1.00 0.00 ATOM 315 CB ASP 45 35.720 -3.255 40.528 1.00 0.00 ATOM 316 CG ASP 45 35.012 -2.910 41.853 1.00 0.00 ATOM 317 OD1 ASP 45 35.539 -3.314 42.933 1.00 0.00 ATOM 318 OD2 ASP 45 33.943 -2.221 41.793 1.00 0.00 ATOM 319 O ASP 45 33.827 -5.909 41.252 1.00 0.00 ATOM 320 C ASP 45 34.171 -5.224 40.296 1.00 0.00 ATOM 321 N ARG 46 33.361 -4.930 39.288 1.00 0.00 ATOM 322 CA ARG 46 32.019 -5.427 39.278 1.00 0.00 ATOM 323 CB ARG 46 31.267 -4.979 38.034 1.00 0.00 ATOM 324 CG ARG 46 30.798 -3.520 38.165 1.00 0.00 ATOM 325 CD ARG 46 29.645 -3.161 37.245 1.00 0.00 ATOM 326 NE ARG 46 29.982 -3.313 35.838 1.00 0.00 ATOM 327 CZ ARG 46 30.667 -2.438 35.104 1.00 0.00 ATOM 328 NH1 ARG 46 31.129 -1.317 35.629 1.00 0.00 ATOM 329 NH2 ARG 46 30.887 -2.695 33.814 1.00 0.00 ATOM 330 O ARG 46 31.304 -7.430 40.296 1.00 0.00 ATOM 331 C ARG 46 31.996 -6.935 39.418 1.00 0.00 ATOM 332 N LEU 47 32.768 -7.650 38.582 1.00 0.00 ATOM 333 CA LEU 47 32.794 -9.138 38.580 1.00 0.00 ATOM 334 CB LEU 47 33.393 -9.680 37.287 1.00 0.00 ATOM 335 CG LEU 47 32.616 -9.366 36.026 1.00 0.00 ATOM 336 CD1 LEU 47 33.550 -9.593 34.834 1.00 0.00 ATOM 337 CD2 LEU 47 31.306 -10.163 35.942 1.00 0.00 ATOM 338 O LEU 47 33.756 -10.992 39.771 1.00 0.00 ATOM 339 C LEU 47 33.550 -9.753 39.736 1.00 0.00 ATOM 340 N GLY 48 33.966 -8.929 40.682 1.00 0.00 ATOM 341 CA GLY 48 34.452 -9.445 41.948 1.00 0.00 ATOM 342 O GLY 48 36.537 -9.849 43.012 1.00 0.00 ATOM 343 C GLY 48 35.952 -9.413 42.023 1.00 0.00 ATOM 344 N GLY 49 36.565 -8.916 40.954 1.00 0.00 ATOM 345 CA GLY 49 37.950 -8.575 40.981 1.00 0.00 ATOM 346 O GLY 49 40.163 -9.333 40.964 1.00 0.00 ATOM 347 C GLY 49 38.978 -9.665 40.800 1.00 0.00 ATOM 348 N ASP 50 38.590 -10.936 40.522 1.00 0.00 ATOM 349 CA ASP 50 39.594 -11.977 40.203 1.00 0.00 ATOM 350 CB ASP 50 39.932 -12.804 41.431 1.00 0.00 ATOM 351 CG ASP 50 40.802 -14.020 41.104 1.00 0.00 ATOM 352 OD1 ASP 50 41.867 -13.816 40.467 1.00 0.00 ATOM 353 OD2 ASP 50 40.417 -15.167 41.486 1.00 0.00 ATOM 354 O ASP 50 38.853 -14.042 39.220 1.00 0.00 ATOM 355 C ASP 50 39.161 -12.868 39.043 1.00 0.00 ATOM 356 N VAL 51 39.294 -12.319 37.841 1.00 0.00 ATOM 357 CA VAL 51 38.547 -12.712 36.667 1.00 0.00 ATOM 358 CB VAL 51 37.582 -11.524 36.236 1.00 0.00 ATOM 359 CG1 VAL 51 36.374 -11.425 37.174 1.00 0.00 ATOM 360 CG2 VAL 51 38.305 -10.147 36.217 1.00 0.00 ATOM 361 O VAL 51 40.440 -12.459 35.239 1.00 0.00 ATOM 362 C VAL 51 39.407 -13.050 35.466 1.00 0.00 ATOM 363 N THR 52 38.938 -14.000 34.659 1.00 0.00 ATOM 364 CA THR 52 39.589 -14.337 33.399 1.00 0.00 ATOM 365 CB THR 52 39.084 -15.725 32.757 1.00 0.00 ATOM 366 CG2 THR 52 39.642 -16.936 33.488 1.00 0.00 ATOM 367 OG1 THR 52 37.660 -15.816 32.814 1.00 0.00 ATOM 368 O THR 52 38.237 -12.593 32.391 1.00 0.00 ATOM 369 C THR 52 39.330 -13.207 32.404 1.00 0.00 ATOM 370 N PRO 53 40.301 -12.958 31.532 1.00 0.00 ATOM 371 CA PRO 53 40.025 -12.147 30.371 1.00 0.00 ATOM 372 CB PRO 53 41.211 -12.450 29.465 1.00 0.00 ATOM 373 CG PRO 53 42.349 -12.604 30.485 1.00 0.00 ATOM 374 CD PRO 53 41.712 -13.393 31.577 1.00 0.00 ATOM 375 O PRO 53 37.943 -11.497 29.349 1.00 0.00 ATOM 376 C PRO 53 38.703 -12.458 29.677 1.00 0.00 ATOM 377 N SER 54 38.455 -13.754 29.435 1.00 0.00 ATOM 378 CA SER 54 37.229 -14.276 28.804 1.00 0.00 ATOM 379 CB SER 54 37.260 -15.798 28.803 1.00 0.00 ATOM 380 OG SER 54 38.025 -16.294 27.721 1.00 0.00 ATOM 381 O SER 54 34.990 -13.523 28.862 1.00 0.00 ATOM 382 C SER 54 35.941 -13.869 29.489 1.00 0.00 ATOM 383 N GLU 55 35.907 -13.946 30.793 1.00 0.00 ATOM 384 CA GLU 55 34.695 -13.669 31.479 1.00 0.00 ATOM 385 CB GLU 55 34.836 -14.059 32.937 1.00 0.00 ATOM 386 CG GLU 55 33.564 -13.894 33.721 1.00 0.00 ATOM 387 CD GLU 55 33.774 -14.142 35.180 1.00 0.00 ATOM 388 OE1 GLU 55 34.826 -14.797 35.536 1.00 0.00 ATOM 389 OE2 GLU 55 32.883 -13.659 35.950 1.00 0.00 ATOM 390 O GLU 55 33.206 -11.800 31.284 1.00 0.00 ATOM 391 C GLU 55 34.370 -12.197 31.368 1.00 0.00 ATOM 392 N LEU 56 35.439 -11.403 31.385 1.00 0.00 ATOM 393 CA LEU 56 35.414 -9.983 31.287 1.00 0.00 ATOM 394 CB LEU 56 36.839 -9.496 31.488 1.00 0.00 ATOM 395 CG LEU 56 37.194 -8.264 32.300 1.00 0.00 ATOM 396 CD1 LEU 56 38.735 -8.058 32.102 1.00 0.00 ATOM 397 CD2 LEU 56 36.402 -7.133 31.849 1.00 0.00 ATOM 398 O LEU 56 34.081 -8.698 29.756 1.00 0.00 ATOM 399 C LEU 56 34.970 -9.561 29.887 1.00 0.00 ATOM 400 N ALA 57 35.630 -10.104 28.855 1.00 0.00 ATOM 401 CA ALA 57 35.186 -9.859 27.500 1.00 0.00 ATOM 402 CB ALA 57 35.938 -10.654 26.553 1.00 0.00 ATOM 403 O ALA 57 32.901 -9.314 26.865 1.00 0.00 ATOM 404 C ALA 57 33.665 -10.164 27.362 1.00 0.00 ATOM 405 N ALA 58 33.222 -11.321 27.853 1.00 0.00 ATOM 406 CA ALA 58 31.843 -11.698 27.716 1.00 0.00 ATOM 407 CB ALA 58 31.602 -13.118 28.268 1.00 0.00 ATOM 408 O ALA 58 29.876 -10.376 27.805 1.00 0.00 ATOM 409 C ALA 58 30.893 -10.728 28.386 1.00 0.00 ATOM 410 N ALA 59 31.214 -10.304 29.600 1.00 0.00 ATOM 411 CA ALA 59 30.388 -9.385 30.370 1.00 0.00 ATOM 412 CB ALA 59 30.939 -9.256 31.780 1.00 0.00 ATOM 413 O ALA 59 29.377 -7.239 30.093 1.00 0.00 ATOM 414 C ALA 59 30.298 -8.005 29.778 1.00 0.00 ATOM 415 N GLU 60 31.307 -7.636 29.004 1.00 0.00 ATOM 416 CA GLU 60 31.387 -6.303 28.420 1.00 0.00 ATOM 417 CB GLU 60 32.776 -5.736 28.671 1.00 0.00 ATOM 418 CG GLU 60 32.978 -5.468 30.103 1.00 0.00 ATOM 419 CD GLU 60 31.959 -4.448 30.642 1.00 0.00 ATOM 420 OE1 GLU 60 31.784 -3.369 30.015 1.00 0.00 ATOM 421 OE2 GLU 60 31.333 -4.724 31.693 1.00 0.00 ATOM 422 O GLU 60 31.313 -5.501 26.179 1.00 0.00 ATOM 423 C GLU 60 31.094 -6.433 26.933 1.00 0.00 ATOM 424 N ARG 61 30.584 -7.604 26.527 1.00 0.00 ATOM 425 CA ARG 61 30.391 -7.924 25.103 1.00 0.00 ATOM 426 CB ARG 61 29.039 -7.413 24.567 1.00 0.00 ATOM 427 CG ARG 61 27.918 -7.285 25.632 1.00 0.00 ATOM 428 CD ARG 61 27.461 -8.680 26.129 1.00 0.00 ATOM 429 NE ARG 61 27.130 -9.570 25.007 1.00 0.00 ATOM 430 CZ ARG 61 27.778 -10.692 24.678 1.00 0.00 ATOM 431 NH1 ARG 61 28.860 -11.087 25.381 1.00 0.00 ATOM 432 NH2 ARG 61 27.366 -11.413 23.615 1.00 0.00 ATOM 433 O ARG 61 31.473 -6.953 23.140 1.00 0.00 ATOM 434 C ARG 61 31.576 -7.368 24.303 1.00 0.00 ATOM 435 N MET 62 32.722 -7.413 24.945 1.00 0.00 ATOM 436 CA MET 62 33.909 -6.918 24.341 1.00 0.00 ATOM 437 CB MET 62 34.886 -6.500 25.396 1.00 0.00 ATOM 438 CG MET 62 34.647 -5.158 25.906 1.00 0.00 ATOM 439 SD MET 62 36.264 -4.638 26.876 1.00 0.00 ATOM 440 CE MET 62 37.540 -4.366 25.326 1.00 0.00 ATOM 441 O MET 62 34.379 -9.188 23.968 1.00 0.00 ATOM 442 C MET 62 34.514 -8.042 23.578 1.00 0.00 ATOM 443 N ARG 63 35.227 -7.669 22.530 1.00 0.00 ATOM 444 CA ARG 63 35.951 -8.580 21.704 1.00 0.00 ATOM 445 CB ARG 63 36.188 -7.911 20.346 1.00 0.00 ATOM 446 CG ARG 63 34.840 -7.775 19.573 1.00 0.00 ATOM 447 CD ARG 63 34.845 -6.756 18.424 1.00 0.00 ATOM 448 NE ARG 63 35.132 -7.367 17.122 1.00 0.00 ATOM 449 CZ ARG 63 34.924 -6.774 15.958 1.00 0.00 ATOM 450 NH1 ARG 63 34.416 -5.541 15.902 1.00 0.00 ATOM 451 NH2 ARG 63 35.190 -7.428 14.848 1.00 0.00 ATOM 452 O ARG 63 38.043 -8.256 22.873 1.00 0.00 ATOM 453 C ARG 63 37.257 -9.053 22.369 1.00 0.00 ATOM 454 N SER 64 37.444 -10.374 22.389 1.00 0.00 ATOM 455 CA SER 64 38.685 -11.015 22.892 1.00 0.00 ATOM 456 CB SER 64 38.718 -12.489 22.455 1.00 0.00 ATOM 457 OG SER 64 39.571 -13.282 23.283 1.00 0.00 ATOM 458 O SER 64 40.730 -9.783 23.252 1.00 0.00 ATOM 459 C SER 64 39.941 -10.259 22.435 1.00 0.00 ATOM 460 N SER 65 40.084 -10.102 21.125 1.00 0.00 ATOM 461 CA SER 65 41.230 -9.378 20.513 1.00 0.00 ATOM 462 CB SER 65 41.014 -9.190 18.983 1.00 0.00 ATOM 463 OG SER 65 39.887 -8.331 18.697 1.00 0.00 ATOM 464 O SER 65 42.661 -7.608 21.208 1.00 0.00 ATOM 465 C SER 65 41.528 -8.020 21.148 1.00 0.00 ATOM 466 N ASN 66 40.496 -7.339 21.626 1.00 0.00 ATOM 467 CA ASN 66 40.547 -5.898 21.944 1.00 0.00 ATOM 468 CB ASN 66 39.166 -5.336 21.617 1.00 0.00 ATOM 469 CG ASN 66 39.136 -3.865 21.678 1.00 0.00 ATOM 470 ND2 ASN 66 39.347 -3.224 20.528 1.00 0.00 ATOM 471 OD1 ASN 66 38.953 -3.278 22.752 1.00 0.00 ATOM 472 O ASN 66 41.725 -4.733 23.738 1.00 0.00 ATOM 473 C ASN 66 40.903 -5.598 23.408 1.00 0.00 ATOM 474 N LEU 67 40.217 -6.342 24.271 1.00 0.00 ATOM 475 CA LEU 67 40.561 -6.549 25.670 1.00 0.00 ATOM 476 CB LEU 67 39.629 -7.631 26.248 1.00 0.00 ATOM 477 CG LEU 67 39.737 -7.679 27.777 1.00 0.00 ATOM 478 CD1 LEU 67 39.547 -6.275 28.431 1.00 0.00 ATOM 479 CD2 LEU 67 38.803 -8.674 28.337 1.00 0.00 ATOM 480 O LEU 67 42.655 -6.620 26.932 1.00 0.00 ATOM 481 C LEU 67 42.031 -6.977 25.914 1.00 0.00 ATOM 482 N ALA 68 42.574 -7.762 24.994 1.00 0.00 ATOM 483 CA ALA 68 43.914 -8.295 25.203 1.00 0.00 ATOM 484 CB ALA 68 44.278 -9.270 24.104 1.00 0.00 ATOM 485 O ALA 68 45.654 -6.949 26.167 1.00 0.00 ATOM 486 C ALA 68 44.843 -7.091 25.265 1.00 0.00 ATOM 487 N ALA 69 44.611 -6.163 24.369 1.00 0.00 ATOM 488 CA ALA 69 45.421 -4.972 24.274 1.00 0.00 ATOM 489 CB ALA 69 45.186 -4.338 22.894 1.00 0.00 ATOM 490 O ALA 69 46.199 -3.250 25.742 1.00 0.00 ATOM 491 C ALA 69 45.236 -3.926 25.381 1.00 0.00 ATOM 492 N LEU 70 44.002 -3.725 25.868 1.00 0.00 ATOM 493 CA LEU 70 43.762 -2.795 26.984 1.00 0.00 ATOM 494 CB LEU 70 42.274 -2.485 27.148 1.00 0.00 ATOM 495 CG LEU 70 41.619 -1.604 26.086 1.00 0.00 ATOM 496 CD1 LEU 70 40.155 -1.778 26.154 1.00 0.00 ATOM 497 CD2 LEU 70 42.012 -0.156 26.290 1.00 0.00 ATOM 498 O LEU 70 44.611 -2.667 29.197 1.00 0.00 ATOM 499 C LEU 70 44.262 -3.388 28.284 1.00 0.00 ATOM 500 N LEU 71 44.241 -4.707 28.379 1.00 0.00 ATOM 501 CA LEU 71 44.755 -5.418 29.556 1.00 0.00 ATOM 502 CB LEU 71 44.378 -6.893 29.531 1.00 0.00 ATOM 503 CG LEU 71 42.916 -7.206 29.835 1.00 0.00 ATOM 504 CD1 LEU 71 42.760 -8.760 29.888 1.00 0.00 ATOM 505 CD2 LEU 71 42.391 -6.482 31.145 1.00 0.00 ATOM 506 O LEU 71 46.817 -5.034 30.625 1.00 0.00 ATOM 507 C LEU 71 46.237 -5.281 29.583 1.00 0.00 ATOM 508 N ARG 72 46.845 -5.416 28.416 1.00 0.00 ATOM 509 CA ARG 72 48.232 -5.048 28.263 1.00 0.00 ATOM 510 CB ARG 72 48.674 -5.240 26.806 1.00 0.00 ATOM 511 CG ARG 72 48.943 -6.734 26.481 1.00 0.00 ATOM 512 CD ARG 72 49.668 -6.940 25.148 1.00 0.00 ATOM 513 NE ARG 72 48.725 -7.108 24.022 1.00 0.00 ATOM 514 CZ ARG 72 48.212 -6.126 23.264 1.00 0.00 ATOM 515 NH1 ARG 72 48.489 -4.836 23.483 1.00 0.00 ATOM 516 NH2 ARG 72 47.389 -6.439 22.264 1.00 0.00 ATOM 517 O ARG 72 49.547 -3.499 29.506 1.00 0.00 ATOM 518 C ARG 72 48.563 -3.651 28.770 1.00 0.00 ATOM 519 N GLU 73 47.771 -2.636 28.426 1.00 0.00 ATOM 520 CA GLU 73 48.119 -1.259 28.870 1.00 0.00 ATOM 521 CB GLU 73 47.243 -0.209 28.197 1.00 0.00 ATOM 522 CG GLU 73 47.071 -0.367 26.689 1.00 0.00 ATOM 523 CD GLU 73 46.040 0.613 26.136 1.00 0.00 ATOM 524 OE1 GLU 73 46.014 1.752 26.656 1.00 0.00 ATOM 525 OE2 GLU 73 45.242 0.240 25.220 1.00 0.00 ATOM 526 O GLU 73 48.787 -0.311 30.987 1.00 0.00 ATOM 527 C GLU 73 48.003 -1.037 30.373 1.00 0.00 ATOM 528 N LEU 74 46.951 -1.623 30.933 1.00 0.00 ATOM 529 CA LEU 74 46.648 -1.589 32.364 1.00 0.00 ATOM 530 CB LEU 74 45.314 -2.318 32.630 1.00 0.00 ATOM 531 CG LEU 74 44.091 -1.482 32.254 1.00 0.00 ATOM 532 CD1 LEU 74 42.811 -2.309 32.456 1.00 0.00 ATOM 533 CD2 LEU 74 44.048 -0.153 33.064 1.00 0.00 ATOM 534 O LEU 74 48.007 -1.628 34.311 1.00 0.00 ATOM 535 C LEU 74 47.737 -2.189 33.262 1.00 0.00 ATOM 536 N GLU 75 48.296 -3.333 32.868 1.00 0.00 ATOM 537 CA GLU 75 49.455 -3.897 33.556 1.00 0.00 ATOM 538 CB GLU 75 49.854 -5.316 33.058 1.00 0.00 ATOM 539 CG GLU 75 49.294 -6.531 33.920 1.00 0.00 ATOM 540 CD GLU 75 50.364 -7.690 34.199 1.00 0.00 ATOM 541 OE1 GLU 75 50.489 -8.606 33.351 1.00 0.00 ATOM 542 OE2 GLU 75 51.067 -7.706 35.262 1.00 0.00 ATOM 543 O GLU 75 51.182 -2.538 34.487 1.00 0.00 ATOM 544 C GLU 75 50.641 -2.918 33.449 1.00 0.00 ATOM 545 N ARG 76 51.024 -2.485 32.241 1.00 0.00 ATOM 546 CA ARG 76 52.195 -1.558 32.111 1.00 0.00 ATOM 547 CB ARG 76 52.389 -1.016 30.695 1.00 0.00 ATOM 548 CG ARG 76 52.759 -2.069 29.700 1.00 0.00 ATOM 549 O ARG 76 53.016 -0.036 33.766 1.00 0.00 ATOM 550 C ARG 76 52.050 -0.390 33.095 1.00 0.00 ATOM 551 N GLY 77 50.825 0.134 33.223 1.00 0.00 ATOM 552 CA GLY 77 50.512 1.216 34.152 1.00 0.00 ATOM 553 O GLY 77 49.742 1.680 36.359 1.00 0.00 ATOM 554 C GLY 77 50.197 0.834 35.591 1.00 0.00 ATOM 555 N GLY 78 50.431 -0.422 35.980 1.00 0.00 ATOM 556 CA GLY 78 50.196 -0.872 37.376 1.00 0.00 ATOM 557 O GLY 78 48.548 -0.974 39.158 1.00 0.00 ATOM 558 C GLY 78 48.762 -0.836 37.941 1.00 0.00 ATOM 559 N LEU 79 47.761 -0.689 37.077 1.00 0.00 ATOM 560 CA LEU 79 46.381 -0.542 37.557 1.00 0.00 ATOM 561 CB LEU 79 45.577 0.310 36.575 1.00 0.00 ATOM 562 CG LEU 79 46.034 1.767 36.438 1.00 0.00 ATOM 563 CD1 LEU 79 45.171 2.458 35.381 1.00 0.00 ATOM 564 CD2 LEU 79 45.912 2.508 37.755 1.00 0.00 ATOM 565 O LEU 79 44.833 -2.081 38.635 1.00 0.00 ATOM 566 C LEU 79 45.731 -1.913 37.783 1.00 0.00 ATOM 567 N ILE 80 46.180 -2.886 37.002 1.00 0.00 ATOM 568 CA ILE 80 45.790 -4.271 37.250 1.00 0.00 ATOM 569 CB ILE 80 44.932 -4.913 36.116 1.00 0.00 ATOM 570 CG1 ILE 80 45.747 -5.009 34.814 1.00 0.00 ATOM 571 CG2 ILE 80 43.617 -4.171 35.944 1.00 0.00 ATOM 572 CD1 ILE 80 45.049 -5.669 33.703 1.00 0.00 ATOM 573 O ILE 80 48.137 -4.864 37.157 1.00 0.00 ATOM 574 C ILE 80 46.987 -5.171 37.521 1.00 0.00 ATOM 575 N VAL 81 46.655 -6.310 38.124 1.00 0.00 ATOM 576 CA VAL 81 47.614 -7.376 38.430 1.00 0.00 ATOM 577 CB VAL 81 47.789 -7.453 39.942 1.00 0.00 ATOM 578 CG1 VAL 81 48.067 -8.810 40.367 1.00 0.00 ATOM 579 CG2 VAL 81 48.896 -6.514 40.387 1.00 0.00 ATOM 580 O VAL 81 46.031 -9.172 38.050 1.00 0.00 ATOM 581 C VAL 81 47.137 -8.709 37.816 1.00 0.00 ATOM 582 N ARG 82 47.988 -9.295 36.999 1.00 0.00 ATOM 583 CA ARG 82 47.662 -10.498 36.264 1.00 0.00 ATOM 584 CB ARG 82 48.105 -10.328 34.813 1.00 0.00 ATOM 585 CG ARG 82 47.813 -11.505 33.913 1.00 0.00 ATOM 586 O ARG 82 49.538 -11.624 37.283 1.00 0.00 ATOM 587 C ARG 82 48.343 -11.693 36.952 1.00 0.00 ATOM 588 N HIS 83 47.553 -12.717 37.267 1.00 0.00 ATOM 589 CA HIS 83 48.054 -14.040 37.729 1.00 0.00 ATOM 590 CB HIS 83 47.622 -14.348 39.179 1.00 0.00 ATOM 591 CG HIS 83 47.562 -13.151 40.087 1.00 0.00 ATOM 592 CD2 HIS 83 46.554 -12.276 40.352 1.00 0.00 ATOM 593 ND1 HIS 83 48.614 -12.783 40.908 1.00 0.00 ATOM 594 CE1 HIS 83 48.265 -11.724 41.623 1.00 0.00 ATOM 595 NE2 HIS 83 47.018 -11.401 41.311 1.00 0.00 ATOM 596 O HIS 83 47.133 -14.684 35.617 1.00 0.00 ATOM 597 C HIS 83 47.418 -15.050 36.761 1.00 0.00 ATOM 598 N ALA 84 47.241 -16.315 37.101 1.00 0.00 ATOM 599 CA ALA 84 48.155 -17.150 37.861 1.00 0.00 ATOM 600 CB ALA 84 47.372 -18.067 38.823 1.00 0.00 ATOM 601 O ALA 84 48.590 -17.847 35.596 1.00 0.00 ATOM 602 C ALA 84 48.869 -17.995 36.802 1.00 0.00 ATOM 603 N ARG 91 45.208 -21.133 33.643 1.00 0.00 ATOM 604 CA ARG 91 44.284 -20.023 33.450 1.00 0.00 ATOM 605 CB ARG 91 42.857 -20.398 33.949 1.00 0.00 ATOM 606 O ARG 91 45.372 -18.724 35.200 1.00 0.00 ATOM 607 C ARG 91 44.774 -18.713 34.109 1.00 0.00 ATOM 608 N THR 92 44.484 -17.600 33.434 1.00 0.00 ATOM 609 CA THR 92 44.974 -16.273 33.807 1.00 0.00 ATOM 610 CB THR 92 45.736 -15.601 32.609 1.00 0.00 ATOM 611 CG2 THR 92 45.536 -14.099 32.559 1.00 0.00 ATOM 612 OG1 THR 92 47.145 -15.847 32.739 1.00 0.00 ATOM 613 O THR 92 42.764 -15.302 33.662 1.00 0.00 ATOM 614 C THR 92 43.819 -15.387 34.293 1.00 0.00 ATOM 615 N ARG 93 44.060 -14.741 35.425 1.00 0.00 ATOM 616 CA ARG 93 43.087 -14.016 36.147 1.00 0.00 ATOM 617 CB ARG 93 42.778 -14.737 37.447 1.00 0.00 ATOM 618 CG ARG 93 42.637 -16.245 37.261 1.00 0.00 ATOM 619 CD ARG 93 41.571 -16.842 38.137 1.00 0.00 ATOM 620 NE ARG 93 40.267 -16.297 37.770 1.00 0.00 ATOM 621 CZ ARG 93 39.112 -16.849 38.106 1.00 0.00 ATOM 622 NH1 ARG 93 39.094 -17.959 38.833 1.00 0.00 ATOM 623 NH2 ARG 93 37.983 -16.292 37.716 1.00 0.00 ATOM 624 O ARG 93 44.852 -12.476 36.639 1.00 0.00 ATOM 625 C ARG 93 43.663 -12.619 36.392 1.00 0.00 ATOM 626 N VAL 94 42.824 -11.597 36.270 1.00 0.00 ATOM 627 CA VAL 94 43.247 -10.230 36.506 1.00 0.00 ATOM 628 CB VAL 94 43.166 -9.299 35.225 1.00 0.00 ATOM 629 CG1 VAL 94 44.166 -9.850 34.131 1.00 0.00 ATOM 630 CG2 VAL 94 41.774 -9.226 34.674 1.00 0.00 ATOM 631 O VAL 94 41.300 -9.966 37.848 1.00 0.00 ATOM 632 C VAL 94 42.459 -9.650 37.659 1.00 0.00 ATOM 633 N SER 95 43.165 -8.831 38.414 1.00 0.00 ATOM 634 CA SER 95 42.708 -8.118 39.564 1.00 0.00 ATOM 635 CB SER 95 43.339 -8.724 40.790 1.00 0.00 ATOM 636 OG SER 95 42.458 -9.688 41.274 1.00 0.00 ATOM 637 O SER 95 44.054 -6.220 38.911 1.00 0.00 ATOM 638 C SER 95 43.104 -6.644 39.551 1.00 0.00 ATOM 639 N LEU 96 42.354 -5.859 40.302 1.00 0.00 ATOM 640 CA LEU 96 42.754 -4.507 40.524 1.00 0.00 ATOM 641 CB LEU 96 41.625 -3.717 41.138 1.00 0.00 ATOM 642 CG LEU 96 40.387 -3.452 40.273 1.00 0.00 ATOM 643 CD1 LEU 96 39.901 -2.102 40.630 1.00 0.00 ATOM 644 CD2 LEU 96 40.608 -3.476 38.789 1.00 0.00 ATOM 645 O LEU 96 43.970 -5.314 42.439 1.00 0.00 ATOM 646 C LEU 96 43.955 -4.555 41.457 1.00 0.00 ATOM 647 N SER 97 44.969 -3.768 41.107 1.00 0.00 ATOM 648 CA SER 97 46.014 -3.391 42.056 1.00 0.00 ATOM 649 CB SER 97 47.260 -2.876 41.335 1.00 0.00 ATOM 650 OG SER 97 47.097 -1.572 40.823 1.00 0.00 ATOM 651 O SER 97 44.354 -1.722 42.558 1.00 0.00 ATOM 652 C SER 97 45.381 -2.302 42.928 1.00 0.00 ATOM 653 N SER 98 45.961 -2.001 44.081 1.00 0.00 ATOM 654 CA SER 98 45.387 -0.892 44.899 1.00 0.00 ATOM 655 CB SER 98 45.889 -0.922 46.354 1.00 0.00 ATOM 656 OG SER 98 44.908 -0.210 47.147 1.00 0.00 ATOM 657 O SER 98 44.654 1.472 44.621 1.00 0.00 ATOM 658 C SER 98 45.485 0.552 44.271 1.00 0.00 ATOM 659 N GLU 99 46.458 0.738 43.363 1.00 0.00 ATOM 660 CA GLU 99 46.450 1.882 42.442 1.00 0.00 ATOM 661 CB GLU 99 47.685 1.905 41.550 1.00 0.00 ATOM 662 CG GLU 99 48.232 3.317 41.220 1.00 0.00 ATOM 663 CD GLU 99 48.941 3.364 39.843 1.00 0.00 ATOM 664 OE1 GLU 99 50.072 2.809 39.685 1.00 0.00 ATOM 665 OE2 GLU 99 48.362 3.972 38.911 1.00 0.00 ATOM 666 O GLU 99 44.620 2.855 41.268 1.00 0.00 ATOM 667 C GLU 99 45.202 1.841 41.549 1.00 0.00 ATOM 668 N GLY 100 44.845 0.639 41.080 1.00 0.00 ATOM 669 CA GLY 100 43.641 0.415 40.294 1.00 0.00 ATOM 670 O GLY 100 41.500 1.491 40.472 1.00 0.00 ATOM 671 C GLY 100 42.388 0.807 41.034 1.00 0.00 ATOM 672 N ARG 101 42.280 0.348 42.282 1.00 0.00 ATOM 673 CA ARG 101 41.135 0.736 43.128 1.00 0.00 ATOM 674 CB ARG 101 41.197 0.056 44.492 1.00 0.00 ATOM 675 CG ARG 101 40.511 -1.279 44.567 1.00 0.00 ATOM 676 CD ARG 101 41.015 -2.081 45.764 1.00 0.00 ATOM 677 NE ARG 101 41.242 -3.424 45.287 1.00 0.00 ATOM 678 CZ ARG 101 42.414 -4.051 45.221 1.00 0.00 ATOM 679 NH1 ARG 101 43.541 -3.486 45.663 1.00 0.00 ATOM 680 NH2 ARG 101 42.444 -5.287 44.709 1.00 0.00 ATOM 681 O ARG 101 40.014 2.843 43.257 1.00 0.00 ATOM 682 C ARG 101 41.077 2.224 43.373 1.00 0.00 ATOM 683 N ARG 102 42.227 2.782 43.757 1.00 0.00 ATOM 684 CA ARG 102 42.320 4.201 44.120 1.00 0.00 ATOM 685 CB ARG 102 43.748 4.607 44.558 1.00 0.00 ATOM 686 O ARG 102 41.093 6.012 43.090 1.00 0.00 ATOM 687 C ARG 102 41.846 5.035 42.928 1.00 0.00 ATOM 688 N ASN 103 42.312 4.642 41.746 1.00 0.00 ATOM 689 CA ASN 103 41.837 5.211 40.486 1.00 0.00 ATOM 690 CB ASN 103 42.666 4.562 39.404 1.00 0.00 ATOM 691 CG ASN 103 42.602 5.274 38.076 1.00 0.00 ATOM 692 ND2 ASN 103 43.751 5.852 37.664 1.00 0.00 ATOM 693 OD1 ASN 103 41.579 5.201 37.362 1.00 0.00 ATOM 694 O ASN 103 39.593 6.019 39.931 1.00 0.00 ATOM 695 C ASN 103 40.295 5.041 40.194 1.00 0.00 ATOM 696 N LEU 104 39.771 3.829 40.261 1.00 0.00 ATOM 697 CA LEU 104 38.368 3.600 39.918 1.00 0.00 ATOM 698 CB LEU 104 38.009 2.085 39.919 1.00 0.00 ATOM 699 CG LEU 104 36.558 1.662 39.665 1.00 0.00 ATOM 700 CD1 LEU 104 36.164 1.952 38.232 1.00 0.00 ATOM 701 CD2 LEU 104 36.338 0.172 40.011 1.00 0.00 ATOM 702 O LEU 104 36.501 4.955 40.422 1.00 0.00 ATOM 703 C LEU 104 37.428 4.307 40.866 1.00 0.00 ATOM 704 N TYR 105 37.637 4.077 42.157 1.00 0.00 ATOM 705 CA TYR 105 36.852 4.631 43.236 1.00 0.00 ATOM 706 CB TYR 105 37.384 4.153 44.594 1.00 0.00 ATOM 707 CG TYR 105 37.270 2.660 44.836 1.00 0.00 ATOM 708 CD1 TYR 105 36.472 1.867 44.022 1.00 0.00 ATOM 709 CD2 TYR 105 37.976 2.032 45.889 1.00 0.00 ATOM 710 CE1 TYR 105 36.377 0.539 44.203 1.00 0.00 ATOM 711 CE2 TYR 105 37.852 0.644 46.095 1.00 0.00 ATOM 712 CZ TYR 105 37.043 -0.082 45.240 1.00 0.00 ATOM 713 OH TYR 105 36.864 -1.456 45.343 1.00 0.00 ATOM 714 O TYR 105 35.881 6.860 43.337 1.00 0.00 ATOM 715 C TYR 105 36.928 6.152 43.195 1.00 0.00 ATOM 716 N GLY 106 38.158 6.623 42.996 1.00 0.00 ATOM 717 CA GLY 106 38.452 7.980 42.587 1.00 0.00 ATOM 718 O GLY 106 36.967 9.658 41.845 1.00 0.00 ATOM 719 C GLY 106 37.501 8.605 41.582 1.00 0.00 ATOM 720 N ASN 107 37.305 7.959 40.439 1.00 0.00 ATOM 721 CA ASN 107 36.522 8.527 39.345 1.00 0.00 ATOM 722 CB ASN 107 36.727 7.757 38.045 1.00 0.00 ATOM 723 CG ASN 107 36.201 8.495 36.829 1.00 0.00 ATOM 724 ND2 ASN 107 36.852 9.572 36.476 1.00 0.00 ATOM 725 OD1 ASN 107 35.232 8.096 36.202 1.00 0.00 ATOM 726 O ASN 107 34.294 9.420 39.443 1.00 0.00 ATOM 727 C ASN 107 35.076 8.493 39.747 1.00 0.00 ATOM 728 N ARG 108 34.720 7.415 40.447 1.00 0.00 ATOM 729 CA ARG 108 33.337 7.234 40.888 1.00 0.00 ATOM 730 CB ARG 108 33.122 5.811 41.464 1.00 0.00 ATOM 731 CG ARG 108 32.914 4.775 40.406 1.00 0.00 ATOM 732 CD ARG 108 33.056 3.328 40.972 1.00 0.00 ATOM 733 NE ARG 108 32.793 2.315 39.916 1.00 0.00 ATOM 734 CZ ARG 108 32.897 1.004 40.071 1.00 0.00 ATOM 735 NH1 ARG 108 33.247 0.467 41.221 1.00 0.00 ATOM 736 NH2 ARG 108 32.650 0.220 39.045 1.00 0.00 ATOM 737 O ARG 108 31.873 8.633 42.027 1.00 0.00 ATOM 738 C ARG 108 32.995 8.249 41.932 1.00 0.00 ATOM 739 N ALA 109 33.974 8.635 42.749 1.00 0.00 ATOM 740 CA ALA 109 33.746 9.647 43.759 1.00 0.00 ATOM 741 CB ALA 109 34.930 9.750 44.736 1.00 0.00 ATOM 742 O ALA 109 32.546 11.724 43.502 1.00 0.00 ATOM 743 C ALA 109 33.465 11.008 43.077 1.00 0.00 ATOM 744 N LYS 110 34.246 11.333 42.031 1.00 0.00 ATOM 745 CA LYS 110 33.955 12.507 41.192 1.00 0.00 ATOM 746 CB LYS 110 34.941 12.674 40.026 1.00 0.00 ATOM 747 CG LYS 110 36.154 13.547 40.351 1.00 0.00 ATOM 748 O LYS 110 31.868 13.461 40.735 1.00 0.00 ATOM 749 C LYS 110 32.576 12.483 40.610 1.00 0.00 ATOM 750 N ARG 111 32.184 11.391 39.970 1.00 0.00 ATOM 751 CA ARG 111 30.867 11.355 39.288 1.00 0.00 ATOM 752 CB ARG 111 30.675 10.029 38.550 1.00 0.00 ATOM 753 CG ARG 111 31.164 10.016 37.118 1.00 0.00 ATOM 754 CD ARG 111 31.017 8.561 36.548 1.00 0.00 ATOM 755 NE ARG 111 32.223 7.766 36.695 1.00 0.00 ATOM 756 CZ ARG 111 32.258 6.457 36.883 1.00 0.00 ATOM 757 NH1 ARG 111 31.143 5.743 36.968 1.00 0.00 ATOM 758 NH2 ARG 111 33.457 5.849 37.000 1.00 0.00 ATOM 759 O ARG 111 28.632 12.090 39.864 1.00 0.00 ATOM 760 C ARG 111 29.665 11.545 40.235 1.00 0.00 ATOM 761 N GLU 112 29.848 11.017 41.444 1.00 0.00 ATOM 762 CA GLU 112 28.892 11.028 42.513 1.00 0.00 ATOM 763 CB GLU 112 29.247 9.952 43.549 1.00 0.00 ATOM 764 CG GLU 112 28.810 8.589 43.055 1.00 0.00 ATOM 765 CD GLU 112 29.439 7.433 43.794 1.00 0.00 ATOM 766 OE1 GLU 112 29.896 7.602 44.945 1.00 0.00 ATOM 767 OE2 GLU 112 29.500 6.346 43.197 1.00 0.00 ATOM 768 O GLU 112 27.666 12.814 43.561 1.00 0.00 ATOM 769 C GLU 112 28.770 12.392 43.175 1.00 0.00 ATOM 770 N GLU 113 29.917 13.037 43.347 1.00 0.00 ATOM 771 CA GLU 113 29.953 14.434 43.792 1.00 0.00 ATOM 772 CB GLU 113 31.403 14.910 43.964 1.00 0.00 ATOM 773 CG GLU 113 32.095 14.416 45.218 1.00 0.00 ATOM 774 CD GLU 113 33.574 14.327 45.005 1.00 0.00 ATOM 775 OE1 GLU 113 34.125 15.333 44.482 1.00 0.00 ATOM 776 OE2 GLU 113 34.184 13.259 45.308 1.00 0.00 ATOM 777 O GLU 113 28.280 15.969 43.147 1.00 0.00 ATOM 778 C GLU 113 29.207 15.298 42.783 1.00 0.00 ATOM 779 N TRP 114 29.611 15.255 41.517 1.00 0.00 ATOM 780 CA TRP 114 28.821 15.797 40.442 1.00 0.00 ATOM 781 CB TRP 114 29.216 15.249 39.059 1.00 0.00 ATOM 782 CG TRP 114 28.354 15.914 38.012 1.00 0.00 ATOM 783 CD1 TRP 114 28.521 17.176 37.523 1.00 0.00 ATOM 784 CD2 TRP 114 27.161 15.418 37.410 1.00 0.00 ATOM 785 CE2 TRP 114 26.648 16.442 36.580 1.00 0.00 ATOM 786 CE3 TRP 114 26.431 14.248 37.542 1.00 0.00 ATOM 787 NE1 TRP 114 27.512 17.500 36.651 1.00 0.00 ATOM 788 CZ2 TRP 114 25.472 16.297 35.851 1.00 0.00 ATOM 789 CZ3 TRP 114 25.236 14.113 36.809 1.00 0.00 ATOM 790 CH2 TRP 114 24.796 15.097 35.967 1.00 0.00 ATOM 791 O TRP 114 26.582 16.548 40.641 1.00 0.00 ATOM 792 C TRP 114 27.303 15.602 40.660 1.00 0.00 ATOM 793 N LEU 115 26.836 14.366 40.857 1.00 0.00 ATOM 794 CA LEU 115 25.372 14.035 40.873 1.00 0.00 ATOM 795 CB LEU 115 25.155 12.546 41.017 1.00 0.00 ATOM 796 CG LEU 115 24.211 11.860 40.035 1.00 0.00 ATOM 797 CD1 LEU 115 24.086 10.375 40.517 1.00 0.00 ATOM 798 CD2 LEU 115 22.868 12.520 39.853 1.00 0.00 ATOM 799 O LEU 115 23.493 15.028 41.877 1.00 0.00 ATOM 800 C LEU 115 24.648 14.636 42.015 1.00 0.00 ATOM 801 N VAL 116 25.314 14.625 43.168 1.00 0.00 ATOM 802 CA VAL 116 24.850 15.342 44.377 1.00 0.00 ATOM 803 CB VAL 116 25.883 15.228 45.570 1.00 0.00 ATOM 804 CG1 VAL 116 25.502 16.125 46.732 1.00 0.00 ATOM 805 CG2 VAL 116 25.988 13.763 46.066 1.00 0.00 ATOM 806 O VAL 116 23.570 17.362 44.592 1.00 0.00 ATOM 807 C VAL 116 24.579 16.804 44.118 1.00 0.00 ATOM 808 N ARG 117 25.501 17.435 43.404 1.00 0.00 ATOM 809 CA ARG 117 25.369 18.834 43.008 1.00 0.00 ATOM 810 CB ARG 117 26.683 19.381 42.460 1.00 0.00 ATOM 811 CG ARG 117 27.615 19.922 43.517 1.00 0.00 ATOM 812 CD ARG 117 28.940 20.499 42.954 1.00 0.00 ATOM 813 NE ARG 117 29.439 19.879 41.704 1.00 0.00 ATOM 814 CZ ARG 117 29.277 20.415 40.481 1.00 0.00 ATOM 815 NH1 ARG 117 28.615 21.587 40.303 1.00 0.00 ATOM 816 NH2 ARG 117 29.766 19.782 39.411 1.00 0.00 ATOM 817 O ARG 117 23.606 20.044 42.036 1.00 0.00 ATOM 818 C ARG 117 24.293 19.039 41.976 1.00 0.00 ATOM 819 N ALA 118 24.149 18.141 41.004 1.00 0.00 ATOM 820 CA ALA 118 22.890 18.127 40.141 1.00 0.00 ATOM 821 CB ALA 118 22.870 16.914 39.146 1.00 0.00 ATOM 822 O ALA 118 20.681 18.831 40.713 1.00 0.00 ATOM 823 C ALA 118 21.596 18.078 40.942 1.00 0.00 ATOM 824 N MET 119 21.556 17.152 41.879 1.00 0.00 ATOM 825 CA MET 119 20.394 16.875 42.642 1.00 0.00 ATOM 826 CB MET 119 20.629 15.630 43.428 1.00 0.00 ATOM 827 CG MET 119 20.476 14.365 42.579 1.00 0.00 ATOM 828 SD MET 119 20.742 12.632 43.572 1.00 0.00 ATOM 829 CE MET 119 18.956 12.278 43.805 1.00 0.00 ATOM 830 O MET 119 18.913 18.185 43.878 1.00 0.00 ATOM 831 C MET 119 20.059 17.983 43.571 1.00 0.00 ATOM 832 N HIS 120 21.050 18.775 43.995 1.00 0.00 ATOM 833 CA HIS 120 20.738 19.903 44.852 1.00 0.00 ATOM 834 CB HIS 120 21.841 20.166 45.862 1.00 0.00 ATOM 835 CG HIS 120 21.686 19.297 47.064 1.00 0.00 ATOM 836 CD2 HIS 120 21.898 17.967 47.230 1.00 0.00 ATOM 837 ND1 HIS 120 21.060 19.726 48.211 1.00 0.00 ATOM 838 CE1 HIS 120 20.994 18.731 49.076 1.00 0.00 ATOM 839 NE2 HIS 120 21.478 17.649 48.498 1.00 0.00 ATOM 840 O HIS 120 19.581 21.928 44.595 1.00 0.00 ATOM 841 C HIS 120 20.311 21.088 44.079 1.00 0.00 ATOM 842 N ALA 121 20.695 21.116 42.820 1.00 0.00 ATOM 843 CA ALA 121 20.410 22.265 41.957 1.00 0.00 ATOM 844 CB ALA 121 21.635 22.501 41.044 1.00 0.00 ATOM 845 O ALA 121 18.621 23.006 40.575 1.00 0.00 ATOM 846 C ALA 121 19.134 22.065 41.097 1.00 0.00 ATOM 847 N CYS 122 18.699 20.835 40.899 1.00 0.00 ATOM 848 CA CYS 122 17.671 20.469 39.893 1.00 0.00 ATOM 849 CB CYS 122 18.170 19.249 39.036 1.00 0.00 ATOM 850 SG CYS 122 19.549 19.716 37.984 1.00 0.00 ATOM 851 O CYS 122 15.305 20.077 39.841 1.00 0.00 ATOM 852 C CYS 122 16.338 20.032 40.511 1.00 0.00 ATOM 853 N LEU 123 16.393 19.625 41.782 1.00 0.00 ATOM 854 CA LEU 123 15.369 18.874 42.420 1.00 0.00 ATOM 855 CB LEU 123 15.823 17.349 42.556 1.00 0.00 ATOM 856 CG LEU 123 16.419 16.472 41.416 1.00 0.00 ATOM 857 CD1 LEU 123 16.924 15.059 41.939 1.00 0.00 ATOM 858 CD2 LEU 123 15.468 16.289 40.261 1.00 0.00 ATOM 859 O LEU 123 16.189 19.749 44.402 1.00 0.00 ATOM 860 C LEU 123 15.198 19.395 43.805 1.00 0.00 ATOM 861 N ASP 124 13.983 19.323 44.363 1.00 0.00 ATOM 862 CA ASP 124 13.808 19.479 45.822 1.00 0.00 ATOM 863 CB ASP 124 12.533 20.277 46.187 1.00 0.00 ATOM 864 CG ASP 124 11.213 19.560 45.829 1.00 0.00 ATOM 865 OD1 ASP 124 11.192 18.366 45.488 1.00 0.00 ATOM 866 OD2 ASP 124 10.150 20.237 45.859 1.00 0.00 ATOM 867 O ASP 124 14.042 17.124 46.010 1.00 0.00 ATOM 868 C ASP 124 13.869 18.162 46.588 1.00 0.00 ATOM 869 N GLU 125 13.691 18.247 47.884 1.00 0.00 ATOM 870 CA GLU 125 13.792 17.135 48.817 1.00 0.00 ATOM 871 CB GLU 125 13.619 17.712 50.242 1.00 0.00 ATOM 872 CG GLU 125 13.998 16.835 51.455 1.00 0.00 ATOM 873 O GLU 125 13.213 14.746 48.572 1.00 0.00 ATOM 874 C GLU 125 12.820 15.963 48.515 1.00 0.00 ATOM 875 N SER 126 11.590 16.317 48.152 1.00 0.00 ATOM 876 CA SER 126 10.554 15.347 47.908 1.00 0.00 ATOM 877 CB SER 126 9.177 16.003 48.025 1.00 0.00 ATOM 878 OG SER 126 8.921 16.849 46.897 1.00 0.00 ATOM 879 O SER 126 10.530 13.485 46.392 1.00 0.00 ATOM 880 C SER 126 10.814 14.654 46.571 1.00 0.00 ATOM 881 N GLU 127 11.502 15.347 45.671 1.00 0.00 ATOM 882 CA GLU 127 11.922 14.756 44.416 1.00 0.00 ATOM 883 CB GLU 127 12.265 15.862 43.451 1.00 0.00 ATOM 884 CG GLU 127 11.026 16.533 42.851 1.00 0.00 ATOM 885 CD GLU 127 11.383 17.781 42.053 1.00 0.00 ATOM 886 OE1 GLU 127 12.458 18.346 42.257 1.00 0.00 ATOM 887 OE2 GLU 127 10.612 18.172 41.191 1.00 0.00 ATOM 888 O GLU 127 13.186 12.854 43.784 1.00 0.00 ATOM 889 C GLU 127 13.109 13.805 44.524 1.00 0.00 ATOM 890 N ARG 128 14.087 14.132 45.372 1.00 0.00 ATOM 891 CA ARG 128 15.145 13.160 45.741 1.00 0.00 ATOM 892 CB ARG 128 16.108 13.805 46.692 1.00 0.00 ATOM 893 CG ARG 128 16.930 14.858 46.078 1.00 0.00 ATOM 894 CD ARG 128 17.851 15.491 47.128 1.00 0.00 ATOM 895 NE ARG 128 17.920 16.839 46.687 1.00 0.00 ATOM 896 CZ ARG 128 17.466 17.923 47.298 1.00 0.00 ATOM 897 NH1 ARG 128 17.004 17.944 48.539 1.00 0.00 ATOM 898 NH2 ARG 128 17.594 19.037 46.629 1.00 0.00 ATOM 899 O ARG 128 15.214 10.835 46.378 1.00 0.00 ATOM 900 C ARG 128 14.605 11.905 46.443 1.00 0.00 ATOM 901 N ALA 129 13.552 12.091 47.232 1.00 0.00 ATOM 902 CA ALA 129 12.902 11.002 47.940 1.00 0.00 ATOM 903 CB ALA 129 11.977 11.537 48.950 1.00 0.00 ATOM 904 O ALA 129 12.210 8.801 47.235 1.00 0.00 ATOM 905 C ALA 129 12.188 10.002 46.981 1.00 0.00 ATOM 906 N LEU 130 11.599 10.521 45.903 1.00 0.00 ATOM 907 CA LEU 130 11.041 9.742 44.802 1.00 0.00 ATOM 908 CB LEU 130 10.469 10.681 43.699 1.00 0.00 ATOM 909 CG LEU 130 8.985 11.101 43.595 1.00 0.00 ATOM 910 CD1 LEU 130 8.737 11.745 42.198 1.00 0.00 ATOM 911 CD2 LEU 130 7.969 9.977 43.795 1.00 0.00 ATOM 912 O LEU 130 11.850 7.836 43.604 1.00 0.00 ATOM 913 C LEU 130 12.101 8.942 44.051 1.00 0.00 ATOM 914 N LEU 131 13.202 9.604 43.765 1.00 0.00 ATOM 915 CA LEU 131 14.343 8.947 43.150 1.00 0.00 ATOM 916 CB LEU 131 15.470 9.952 42.789 1.00 0.00 ATOM 917 CG LEU 131 15.220 10.800 41.571 1.00 0.00 ATOM 918 CD1 LEU 131 16.471 11.698 41.311 1.00 0.00 ATOM 919 CD2 LEU 131 14.895 9.880 40.363 1.00 0.00 ATOM 920 O LEU 131 15.525 6.886 43.436 1.00 0.00 ATOM 921 C LEU 131 14.970 7.894 43.990 1.00 0.00 ATOM 922 N ALA 132 14.933 8.102 45.298 1.00 0.00 ATOM 923 CA ALA 132 15.415 7.088 46.232 1.00 0.00 ATOM 924 CB ALA 132 15.573 7.675 47.626 1.00 0.00 ATOM 925 O ALA 132 14.989 4.737 46.250 1.00 0.00 ATOM 926 C ALA 132 14.483 5.863 46.219 1.00 0.00 ATOM 927 N ALA 133 13.136 6.075 46.177 1.00 0.00 ATOM 928 CA ALA 133 12.141 4.988 46.031 1.00 0.00 ATOM 929 CB ALA 133 10.720 5.451 46.272 1.00 0.00 ATOM 930 O ALA 133 11.980 3.109 44.549 1.00 0.00 ATOM 931 C ALA 133 12.193 4.315 44.668 1.00 0.00 ATOM 932 N ALA 134 12.469 5.076 43.643 1.00 0.00 ATOM 933 CA ALA 134 12.398 4.565 42.270 1.00 0.00 ATOM 934 CB ALA 134 12.061 5.692 41.310 1.00 0.00 ATOM 935 O ALA 134 13.574 3.060 40.939 1.00 0.00 ATOM 936 C ALA 134 13.641 3.870 41.788 1.00 0.00 ATOM 937 N GLY 135 14.778 4.199 42.346 1.00 0.00 ATOM 938 CA GLY 135 16.070 3.746 41.878 1.00 0.00 ATOM 939 O GLY 135 16.634 1.506 41.190 1.00 0.00 ATOM 940 C GLY 135 16.236 2.264 42.076 1.00 0.00 ATOM 941 N PRO 136 15.912 1.820 43.247 1.00 0.00 ATOM 942 CA PRO 136 15.940 0.348 43.371 1.00 0.00 ATOM 943 CB PRO 136 15.556 0.139 44.818 1.00 0.00 ATOM 944 CG PRO 136 15.854 1.535 45.516 1.00 0.00 ATOM 945 CD PRO 136 15.581 2.531 44.501 1.00 0.00 ATOM 946 O PRO 136 15.167 -1.658 42.198 1.00 0.00 ATOM 947 C PRO 136 14.999 -0.431 42.396 1.00 0.00 ATOM 948 N LEU 137 14.045 0.209 41.727 1.00 0.00 ATOM 949 CA LEU 137 13.205 -0.610 40.815 1.00 0.00 ATOM 950 CB LEU 137 11.859 0.062 40.538 1.00 0.00 ATOM 951 CG LEU 137 10.902 0.397 41.706 1.00 0.00 ATOM 952 CD1 LEU 137 9.744 1.263 41.204 1.00 0.00 ATOM 953 CD2 LEU 137 10.366 -0.872 42.378 1.00 0.00 ATOM 954 O LEU 137 13.669 -1.700 38.737 1.00 0.00 ATOM 955 C LEU 137 13.975 -0.817 39.505 1.00 0.00 ATOM 956 N LEU 138 14.983 0.036 39.271 1.00 0.00 ATOM 957 CA LEU 138 15.846 -0.031 38.089 1.00 0.00 ATOM 958 CB LEU 138 16.650 1.264 37.947 1.00 0.00 ATOM 959 CG LEU 138 15.789 2.615 37.870 1.00 0.00 ATOM 960 CD1 LEU 138 16.671 3.785 37.640 1.00 0.00 ATOM 961 CD2 LEU 138 14.733 2.564 36.773 1.00 0.00 ATOM 962 O LEU 138 16.934 -1.985 37.190 1.00 0.00 ATOM 963 C LEU 138 16.736 -1.265 38.182 1.00 0.00 ATOM 964 N THR 139 17.221 -1.505 39.395 1.00 0.00 ATOM 965 CA THR 139 17.953 -2.718 39.763 1.00 0.00 ATOM 966 CB THR 139 18.362 -2.680 41.237 1.00 0.00 ATOM 967 CG2 THR 139 19.217 -3.976 41.646 1.00 0.00 ATOM 968 OG1 THR 139 19.079 -1.474 41.536 1.00 0.00 ATOM 969 O THR 139 17.487 -4.950 38.981 1.00 0.00 ATOM 970 C THR 139 17.075 -3.961 39.560 1.00 0.00 ATOM 971 N ARG 140 15.846 -3.920 40.014 1.00 0.00 ATOM 972 CA ARG 140 14.988 -5.067 39.806 1.00 0.00 ATOM 973 CB ARG 140 13.688 -4.821 40.445 1.00 0.00 ATOM 974 CG ARG 140 12.983 -6.060 40.734 1.00 0.00 ATOM 975 CD ARG 140 12.328 -5.844 42.047 1.00 0.00 ATOM 976 NE ARG 140 10.907 -5.648 41.879 1.00 0.00 ATOM 977 CZ ARG 140 10.154 -5.035 42.766 1.00 0.00 ATOM 978 NH1 ARG 140 10.704 -4.530 43.842 1.00 0.00 ATOM 979 NH2 ARG 140 8.852 -4.925 42.562 1.00 0.00 ATOM 980 O ARG 140 14.897 -6.510 37.951 1.00 0.00 ATOM 981 C ARG 140 14.766 -5.373 38.342 1.00 0.00 ATOM 982 N LEU 141 14.575 -4.353 37.501 1.00 0.00 ATOM 983 CA LEU 141 14.439 -4.589 36.057 1.00 0.00 ATOM 984 CB LEU 141 13.996 -3.321 35.346 1.00 0.00 ATOM 985 CG LEU 141 12.631 -2.705 35.749 1.00 0.00 ATOM 986 CD1 LEU 141 12.521 -1.277 35.296 1.00 0.00 ATOM 987 CD2 LEU 141 11.569 -3.593 35.112 1.00 0.00 ATOM 988 O LEU 141 15.762 -5.951 34.561 1.00 0.00 ATOM 989 C LEU 141 15.778 -5.051 35.446 1.00 0.00 ATOM 990 N ALA 142 16.906 -4.492 35.928 1.00 0.00 ATOM 991 CA ALA 142 18.233 -4.946 35.503 1.00 0.00 ATOM 992 CB ALA 142 19.374 -4.029 36.077 1.00 0.00 ATOM 993 O ALA 142 19.270 -7.000 35.058 1.00 0.00 ATOM 994 C ALA 142 18.549 -6.414 35.805 1.00 0.00 ATOM 995 N GLN 143 17.990 -6.982 36.886 1.00 0.00 ATOM 996 CA GLN 143 18.249 -8.315 37.321 1.00 0.00 ATOM 997 CB GLN 143 18.359 -8.345 38.833 1.00 0.00 ATOM 998 CG GLN 143 19.425 -7.480 39.409 1.00 0.00 ATOM 999 CD GLN 143 19.388 -7.491 40.954 1.00 0.00 ATOM 1000 OE1 GLN 143 18.378 -7.861 41.578 1.00 0.00 ATOM 1001 NE2 GLN 143 20.503 -7.098 41.571 1.00 0.00 ATOM 1002 O GLN 143 17.014 -10.337 37.390 1.00 0.00 ATOM 1003 C GLN 143 17.096 -9.230 36.930 1.00 0.00 ATOM 1004 N PHE 144 16.176 -8.754 36.102 1.00 0.00 ATOM 1005 CA PHE 144 15.051 -9.575 35.706 1.00 0.00 ATOM 1006 CB PHE 144 14.176 -8.741 34.789 1.00 0.00 ATOM 1007 CG PHE 144 13.026 -9.466 34.195 1.00 0.00 ATOM 1008 CD1 PHE 144 11.959 -9.847 34.986 1.00 0.00 ATOM 1009 CD2 PHE 144 12.987 -9.731 32.832 1.00 0.00 ATOM 1010 CE1 PHE 144 10.862 -10.495 34.433 1.00 0.00 ATOM 1011 CE2 PHE 144 11.914 -10.338 32.269 1.00 0.00 ATOM 1012 CZ PHE 144 10.827 -10.724 33.069 1.00 0.00 ATOM 1013 O PHE 144 16.363 -10.764 34.084 1.00 0.00 ATOM 1014 C PHE 144 15.494 -10.836 34.953 1.00 0.00 ATOM 1015 N GLU 145 14.866 -11.975 35.283 1.00 0.00 ATOM 1016 CA GLU 145 14.938 -13.229 34.506 1.00 0.00 ATOM 1017 CB GLU 145 15.591 -14.349 35.310 1.00 0.00 ATOM 1018 CG GLU 145 17.100 -14.484 35.105 1.00 0.00 ATOM 1019 CD GLU 145 17.563 -15.702 34.220 1.00 0.00 ATOM 1020 OE1 GLU 145 18.794 -15.768 33.988 1.00 0.00 ATOM 1021 OE2 GLU 145 16.749 -16.566 33.746 1.00 0.00 ATOM 1022 O GLU 145 12.630 -13.594 35.060 1.00 0.00 ATOM 1023 C GLU 145 13.505 -13.624 34.176 1.00 0.00 ATOM 1024 N GLU 146 13.260 -13.933 32.906 1.00 0.00 ATOM 1025 CA GLU 146 11.913 -14.346 32.452 1.00 0.00 ATOM 1026 CB GLU 146 11.455 -13.549 31.204 1.00 0.00 ATOM 1027 CG GLU 146 12.591 -13.120 30.212 1.00 0.00 ATOM 1028 CD GLU 146 12.047 -12.533 28.877 1.00 0.00 ATOM 1029 OE1 GLU 146 10.845 -12.090 28.826 1.00 0.00 ATOM 1030 OE2 GLU 146 12.845 -12.519 27.891 1.00 0.00 ATOM 1031 O GLU 146 12.201 -16.195 31.026 1.00 0.00 ATOM 1032 C GLU 146 11.865 -15.821 32.138 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 T0373.undertaker-align.pdb looking for model 1 WARNING: atoms too close: (T0373)R46.C and (T0373)L47.C only 0 apart, marking (T0373)L47.C as missing WARNING: atoms too close: (T0373)L47.N and (T0373)G48.N only 0 apart, marking (T0373)L47.N as missing WARNING: atoms too close: (T0373)L47.CA and (T0373)G48.CA only 0 apart, marking (T0373)L47.CA as missing WARNING: atoms too close: (T0373)M119.C and (T0373)H120.C only 0 apart, marking (T0373)H120.C as missing WARNING: atoms too close: (T0373)H120.N and (T0373)A121.N only 0 apart, marking (T0373)H120.N as missing WARNING: atoms too close: (T0373)H120.CA and (T0373)A121.CA only 0 apart, marking (T0373)H120.CA as missing # WARNING: incomplete conformation T0373 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 = 0.928 # GDT_score = -61.871 # GDT_score(maxd=8.000,maxw=2.900)= -64.045 # GDT_score(maxd=8.000,maxw=3.200)= -60.713 # GDT_score(maxd=8.000,maxw=3.500)= -57.585 # GDT_score(maxd=10.000,maxw=3.800)= -60.768 # GDT_score(maxd=10.000,maxw=4.000)= -58.835 # GDT_score(maxd=10.000,maxw=4.200)= -56.901 # GDT_score(maxd=12.000,maxw=4.300)= -60.574 # GDT_score(maxd=12.000,maxw=4.500)= -58.674 # GDT_score(maxd=12.000,maxw=4.700)= -56.874 # GDT_score(maxd=14.000,maxw=5.200)= -56.109 # GDT_score(maxd=14.000,maxw=5.500)= -53.677 # command:# ReadConformPDB reading from PDB file T0373.undertaker-align.pdb looking for model 2 WARNING: atoms too close: (T0373)M119.C and (T0373)H120.C only 0 apart, marking (T0373)H120.C as missing WARNING: atoms too close: (T0373)H120.N and (T0373)A121.N only 0 apart, marking (T0373)H120.N as missing WARNING: atoms too close: (T0373)H120.CA and (T0373)A121.CA only 0 apart, marking (T0373)H120.CA as missing WARNING: atoms too close: (T0373)A133.C and (T0373)P136.C only 0 apart, marking (T0373)P136.C as missing WARNING: atoms too close: (T0373)A134.N and (T0373)L137.N only 0 apart, marking (T0373)A134.N as missing WARNING: atoms too close: (T0373)A134.CA and (T0373)L137.CA only 0 apart, marking (T0373)A134.CA as missing # WARNING: incomplete conformation T0373 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 = 0.813 # GDT_score = -53.957 # GDT_score(maxd=8.000,maxw=2.900)= -54.811 # GDT_score(maxd=8.000,maxw=3.200)= -52.300 # GDT_score(maxd=8.000,maxw=3.500)= -49.925 # GDT_score(maxd=10.000,maxw=3.800)= -52.742 # GDT_score(maxd=10.000,maxw=4.000)= -51.170 # GDT_score(maxd=10.000,maxw=4.200)= -49.613 # GDT_score(maxd=12.000,maxw=4.300)= -52.745 # GDT_score(maxd=12.000,maxw=4.500)= -51.194 # GDT_score(maxd=12.000,maxw=4.700)= -49.593 # GDT_score(maxd=14.000,maxw=5.200)= -48.877 # GDT_score(maxd=14.000,maxw=5.500)= -46.673 # command:# ReadConformPDB reading from PDB file T0373.undertaker-align.pdb looking for model 3 WARNING: atoms too close: (T0373)E27.C and (T0373)Q29.C only 0 apart, marking (T0373)Q29.C as missing WARNING: atoms too close: (T0373)A28.N and (T0373)A30.N only 0 apart, marking (T0373)A28.N as missing WARNING: atoms too close: (T0373)A28.CA and (T0373)A30.CA only 0 apart, marking (T0373)A28.CA as missing WARNING: atoms too close: (T0373)G49.C and (T0373)D50.C only 0 apart, marking (T0373)D50.C as missing WARNING: atoms too close: (T0373)D50.N and (T0373)V51.N only 0 apart, marking (T0373)D50.N as missing WARNING: atoms too close: (T0373)D50.CA and (T0373)V51.CA only 0 apart, marking (T0373)D50.CA as missing WARNING: atoms too close: (T0373)M119.C and (T0373)H120.C only 0 apart, marking (T0373)H120.C as missing WARNING: atoms too close: (T0373)H120.N and (T0373)A121.N only 0 apart, marking (T0373)H120.N as missing WARNING: atoms too close: (T0373)H120.CA and (T0373)A121.CA only 0 apart, marking (T0373)H120.CA as missing WARNING: atoms too close: (T0373)A133.C and (T0373)P136.C only 0 apart, marking (T0373)P136.C as missing WARNING: atoms too close: (T0373)A134.N and (T0373)L137.N only 0 apart, marking (T0373)A134.N as missing WARNING: atoms too close: (T0373)A134.CA and (T0373)L137.CA only 0 apart, marking (T0373)A134.CA as missing # WARNING: incomplete conformation T0373 can't currently be optimized by undertaker # command:# naming current conformation align3 # command:# ReadConformPDB reading from PDB file T0373.undertaker-align.pdb looking for model 4 WARNING: atoms too close: (T0373)L9.C and (T0373)L13.C only 0 apart, marking (T0373)L13.C as missing WARNING: atoms too close: (T0373)A10.N and (T0373)R14.N only 0 apart, marking (T0373)A10.N as missing WARNING: atoms too close: (T0373)A10.CA and (T0373)R14.CA only 0 apart, marking (T0373)A10.CA as missing WARNING: atoms too close: (T0373)L47.C and (T0373)G48.C only 0 apart, marking (T0373)G48.C as missing WARNING: atoms too close: (T0373)G48.N and (T0373)G49.N only 0 apart, marking (T0373)G48.N as missing WARNING: atoms too close: (T0373)G48.CA and (T0373)G49.CA only 0 apart, marking (T0373)G48.CA as missing WARNING: atoms too close: (T0373)M119.C and (T0373)H120.C only 0 apart, marking (T0373)H120.C as missing WARNING: atoms too close: (T0373)H120.N and (T0373)A121.N only 0 apart, marking (T0373)H120.N as missing WARNING: atoms too close: (T0373)H120.CA and (T0373)A121.CA only 0 apart, marking (T0373)H120.CA as missing WARNING: atoms too close: (T0373)A133.C and (T0373)P136.C only 0 apart, marking (T0373)P136.C as missing WARNING: atoms too close: (T0373)A134.N and (T0373)L137.N only 0 apart, marking (T0373)A134.N as missing WARNING: atoms too close: (T0373)A134.CA and (T0373)L137.CA only 0 apart, marking (T0373)A134.CA as missing # WARNING: incomplete conformation T0373 can't currently be optimized by undertaker # command:# naming current conformation align4 # command:# ReadConformPDB reading from PDB file T0373.undertaker-align.pdb looking for model 5 WARNING: atoms too close: (T0373)L9.C and (T0373)V17.C only 0 apart, marking (T0373)V17.C as missing WARNING: atoms too close: (T0373)A10.N and (T0373)T18.N only 0 apart, marking (T0373)A10.N as missing WARNING: atoms too close: (T0373)A10.CA and (T0373)T18.CA only 0 apart, marking (T0373)A10.CA as missing WARNING: atoms too close: (T0373)L47.C and (T0373)G48.C only 0 apart, marking (T0373)G48.C as missing WARNING: atoms too close: (T0373)G48.N and (T0373)G49.N only 0 apart, marking (T0373)G48.N as missing WARNING: atoms too close: (T0373)G48.CA and (T0373)G49.CA only 0 apart, marking (T0373)G48.CA as missing WARNING: atoms too close: (T0373)M119.C and (T0373)H120.C only 0 apart, marking (T0373)H120.C as missing WARNING: atoms too close: (T0373)H120.N and (T0373)A121.N only 0 apart, marking (T0373)H120.N as missing WARNING: atoms too close: (T0373)H120.CA and (T0373)A121.CA only 0 apart, marking (T0373)H120.CA as missing WARNING: atoms too close: (T0373)A133.C and (T0373)P136.C only 0 apart, marking (T0373)P136.C as missing WARNING: atoms too close: (T0373)A134.N and (T0373)L137.N only 0 apart, marking (T0373)A134.N as missing WARNING: atoms too close: (T0373)A134.CA and (T0373)L137.CA only 0 apart, marking (T0373)A134.CA as missing # WARNING: incomplete conformation T0373 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 87 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file ../model2.ts-submitted looking for model 1 # Found a chain break before 120 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file ../model3.ts-submitted looking for model 1 # Found a chain break before 123 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file ../model4.ts-submitted looking for model 1 # WARNING: incomplete conformation T0373 can't currently be optimized by undertaker # ReadConformPDB reading from PDB file ../model5.ts-submitted looking for model 1 # WARNING: incomplete conformation T0373 can't currently be optimized by undertaker # ReadConformPDB reading from PDB file T0373.try1-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 122 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0373.try1-opt1.pdb.gz looking for model 1 # Found a chain break before 122 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0373.try1-opt2.gromacs0.pdb.gz looking for model 1 # ReadConformPDB reading from PDB file T0373.try1-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # ReadConformPDB reading from PDB file T0373.try1-opt2.pdb.gz looking for model 1 # Found a chain break before 122 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0373.try1-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 122 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0373.try2-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 122 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0373.try2-opt1.pdb.gz looking for model 1 # Found a chain break before 122 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0373.try2-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 135 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0373.try2-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 135 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0373.try2-opt2.pdb.gz looking for model 1 # Found a chain break before 122 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0373.try2-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 122 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file chimera-1-2a61A.pdb.gz looking for model 1 # Found a chain break before 122 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file chimera-2-2a61A.pdb.gz looking for model 1 # Found a chain break before 122 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file ../dimer/decoys/T0373.try1-opt1-scwrl.pdb.gz looking for chain 'A' model 1 # Found a chain break before 122 # copying to AlignedFragments data structure # naming current conformation dimer//try1-opt1-scwrl # ReadConformPDB reading from PDB file ../dimer/decoys/T0373.try1-opt1.pdb.gz looking for chain 'A' model 1 # Found a chain break before 122 # copying to AlignedFragments data structure # naming current conformation dimer//try1-opt1 # ReadConformPDB reading from PDB file ../dimer/decoys/T0373.try1-opt2.gromacs0.pdb.gz looking for chain 'A' model 1 # Found a chain break before 146 # copying to AlignedFragments data structure # naming current conformation dimer//try1-opt2.gromacs0 # ReadConformPDB reading from PDB file ../dimer/decoys/T0373.try1-opt2.gromacs0.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 146 # copying to AlignedFragments data structure # naming current conformation dimer//try1-opt2.gromacs0.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0373.try1-opt2.pdb.gz looking for chain 'A' model 1 # Found a chain break before 123 # copying to AlignedFragments data structure # naming current conformation dimer//try1-opt2 # ReadConformPDB reading from PDB file ../dimer/decoys/T0373.try1-opt2.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 123 # copying to AlignedFragments data structure # naming current conformation dimer//try1-opt2.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0373.try1-opt2.unpack.gromacs0.pdb.gz looking for chain 'A' model 1 # Found a chain break before 135 # copying to AlignedFragments data structure # naming current conformation dimer//try1-opt2.unpack.gromacs0 # ReadConformPDB reading from PDB file ../dimer/decoys/T0373.try1-opt2.unpack.gromacs0.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 135 # copying to AlignedFragments data structure # naming current conformation dimer//try1-opt2.unpack.gromacs0.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0373.try1-opt2.unpack.pdb.gz looking for chain 'A' model 1 # Found a chain break before 123 # copying to AlignedFragments data structure # naming current conformation dimer//try1-opt2.unpack # ReadConformPDB reading from PDB file ../dimer/decoys/T0373.try2-opt1-scwrl.pdb.gz looking for chain 'A' model 1 # Found a chain break before 123 # copying to AlignedFragments data structure # naming current conformation dimer//try2-opt1-scwrl # ReadConformPDB reading from PDB file ../dimer/decoys/T0373.try2-opt1.pdb.gz looking for chain 'A' model 1 # Found a chain break before 123 # copying to AlignedFragments data structure # naming current conformation dimer//try2-opt1 # ReadConformPDB reading from PDB file ../dimer/decoys/T0373.try2-opt2.pdb.gz looking for chain 'A' model 1 # Found a chain break before 123 # copying to AlignedFragments data structure # naming current conformation dimer//try2-opt2 # ReadConformPDB reading from PDB file ../dimer/decoys/T0373.try2-opt2.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 123 # copying to AlignedFragments data structure # naming current conformation dimer//try2-opt2.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0373.try2-opt2.unpack.gromacs0.pdb.gz looking for chain 'A' model 1 # Found a chain break before 122 # copying to AlignedFragments data structure # naming current conformation dimer//try2-opt2.unpack.gromacs0 # ReadConformPDB reading from PDB file ../dimer/decoys/T0373.try2-opt2.unpack.gromacs0.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 122 # copying to AlignedFragments data structure # naming current conformation dimer//try2-opt2.unpack.gromacs0.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0373.try2-opt2.unpack.pdb.gz looking for chain 'A' model 1 # Found a chain break before 123 # copying to AlignedFragments data structure # naming current conformation dimer//try2-opt2.unpack # ReadConformPDB reading from PDB file ../dimer/decoys/T0373.try3-opt1-scwrl.pdb.gz looking for chain 'A' model 1 # Found a chain break before 123 # copying to AlignedFragments data structure # naming current conformation dimer//try3-opt1-scwrl # ReadConformPDB reading from PDB file ../dimer/decoys/T0373.try3-opt1.pdb.gz looking for chain 'A' model 1 # Found a chain break before 123 # copying to AlignedFragments data structure # naming current conformation dimer//try3-opt1 # ReadConformPDB reading from PDB file ../dimer/decoys/T0373.try3-opt2.pdb.gz looking for chain 'A' model 1 # Found a chain break before 122 # copying to AlignedFragments data structure # naming current conformation dimer//try3-opt2 # ReadConformPDB reading from PDB file ../dimer/decoys/T0373.try3-opt2.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 122 # copying to AlignedFragments data structure # naming current conformation dimer//try3-opt2.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0373.try3-opt2.unpack.gromacs0.pdb.gz looking for chain 'A' model 1 # Found a chain break before 122 # copying to AlignedFragments data structure # naming current conformation dimer//try3-opt2.unpack.gromacs0 # ReadConformPDB reading from PDB file ../dimer/decoys/T0373.try3-opt2.unpack.gromacs0.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 122 # copying to AlignedFragments data structure # naming current conformation dimer//try3-opt2.unpack.gromacs0.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0373.try3-opt2.unpack.pdb.gz looking for chain 'A' model 1 # Found a chain break before 122 # copying to AlignedFragments data structure # naming current conformation dimer//try3-opt2.unpack # ReadConformPDB reading from PDB file ../dimer/decoys/T0373.try4-opt1-scwrl.pdb.gz looking for chain 'A' model 1 # Found a chain break before 123 # copying to AlignedFragments data structure # naming current conformation dimer//try4-opt1-scwrl # ReadConformPDB reading from PDB file ../dimer/decoys/T0373.try4-opt1.pdb.gz looking for chain 'A' model 1 # Found a chain break before 123 # copying to AlignedFragments data structure # naming current conformation dimer//try4-opt1 # ReadConformPDB reading from PDB file ../dimer/decoys/T0373.try4-opt2.pdb.gz looking for chain 'A' model 1 # Found a chain break before 123 # copying to AlignedFragments data structure # naming current conformation dimer//try4-opt2 # ReadConformPDB reading from PDB file ../dimer/decoys/T0373.try4-opt2.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 123 # copying to AlignedFragments data structure # naming current conformation dimer//try4-opt2.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0373.try4-opt2.unpack.gromacs0.pdb.gz looking for chain 'A' model 1 # Found a chain break before 122 # copying to AlignedFragments data structure # naming current conformation dimer//try4-opt2.unpack.gromacs0 # ReadConformPDB reading from PDB file ../dimer/decoys/T0373.try4-opt2.unpack.gromacs0.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 122 # copying to AlignedFragments data structure # naming current conformation dimer//try4-opt2.unpack.gromacs0.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0373.try4-opt2.unpack.pdb.gz looking for chain 'A' model 1 # Found a chain break before 123 # copying to AlignedFragments data structure # naming current conformation dimer//try4-opt2.unpack # ReadConformPDB reading from PDB file ../dimer/decoys/T0373.try5-opt1-scwrl.pdb.gz looking for chain 'A' model 1 # Found a chain break before 87 # copying to AlignedFragments data structure # naming current conformation dimer//try5-opt1-scwrl # ReadConformPDB reading from PDB file ../dimer/decoys/T0373.try5-opt1.pdb.gz looking for chain 'A' model 1 # Found a chain break before 87 # copying to AlignedFragments data structure # naming current conformation dimer//try5-opt1 # ReadConformPDB reading from PDB file ../dimer/decoys/T0373.try5-opt2.pdb.gz looking for chain 'A' model 1 # Found a chain break before 87 # copying to AlignedFragments data structure # naming current conformation dimer//try5-opt2 # ReadConformPDB reading from PDB file ../dimer/decoys/T0373.try5-opt2.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 87 # copying to AlignedFragments data structure # naming current conformation dimer//try5-opt2.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0373.try5-opt2.unpack.gromacs0.pdb.gz looking for chain 'A' model 1 # naming current conformation dimer//try5-opt2.unpack.gromacs0 # ReadConformPDB reading from PDB file ../dimer/decoys/T0373.try5-opt2.unpack.gromacs0.repack-nonPC.pdb.gz looking for chain 'A' model 1 # naming current conformation dimer//try5-opt2.unpack.gromacs0.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0373.try5-opt2.unpack.pdb.gz looking for chain 'A' model 1 # Found a chain break before 87 # copying to AlignedFragments data structure # naming current conformation dimer//try5-opt2.unpack # ReadConformPDB reading from PDB file ../dimer/decoys/T0373.try6-opt1-scwrl.pdb.gz looking for chain 'A' model 1 # Found a chain break before 110 # copying to AlignedFragments data structure # naming current conformation dimer//try6-opt1-scwrl # ReadConformPDB reading from PDB file ../dimer/decoys/T0373.try6-opt1.pdb.gz looking for chain 'A' model 1 # Found a chain break before 110 # copying to AlignedFragments data structure # naming current conformation dimer//try6-opt1 # ReadConformPDB reading from PDB file ../dimer/decoys/T0373.try6-opt2.pdb.gz looking for chain 'A' model 1 # Found a chain break before 120 # copying to AlignedFragments data structure # naming current conformation dimer//try6-opt2 # ReadConformPDB reading from PDB file ../dimer/decoys/T0373.try6-opt2.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 120 # copying to AlignedFragments data structure # naming current conformation dimer//try6-opt2.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0373.try6-opt2.unpack.gromacs0.pdb.gz looking for chain 'A' model 1 # Found a chain break before 135 # copying to AlignedFragments data structure # naming current conformation dimer//try6-opt2.unpack.gromacs0 # ReadConformPDB reading from PDB file ../dimer/decoys/T0373.try6-opt2.unpack.gromacs0.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 135 # copying to AlignedFragments data structure # naming current conformation dimer//try6-opt2.unpack.gromacs0.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0373.try6-opt2.unpack.pdb.gz looking for chain 'A' model 1 # Found a chain break before 120 # copying to AlignedFragments data structure # naming current conformation dimer//try6-opt2.unpack # ReadConformPDB reading from PDB file ../dimer/decoys/T0373.try7-opt1-scwrl.pdb.gz looking for chain 'A' model 1 # Found a chain break before 48 # copying to AlignedFragments data structure # naming current conformation dimer//try7-opt1-scwrl # ReadConformPDB reading from PDB file ../dimer/decoys/T0373.try7-opt1.pdb.gz looking for chain 'A' model 1 # Found a chain break before 48 # copying to AlignedFragments data structure # naming current conformation dimer//try7-opt1 # ReadConformPDB reading from PDB file ../dimer/decoys/T0373.try7-opt2.pdb.gz looking for chain 'A' model 1 # Found a chain break before 48 # copying to AlignedFragments data structure # naming current conformation dimer//try7-opt2 # ReadConformPDB reading from PDB file ../dimer/decoys/T0373.try7-opt2.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 48 # copying to AlignedFragments data structure # naming current conformation dimer//try7-opt2.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0373.try7-opt2.unpack.gromacs0.pdb.gz looking for chain 'A' model 1 # Found a chain break before 46 # copying to AlignedFragments data structure # naming current conformation dimer//try7-opt2.unpack.gromacs0 # ReadConformPDB reading from PDB file ../dimer/decoys/T0373.try7-opt2.unpack.gromacs0.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 46 # copying to AlignedFragments data structure # naming current conformation dimer//try7-opt2.unpack.gromacs0.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0373.try7-opt2.unpack.pdb.gz looking for chain 'A' model 1 # Found a chain break before 48 # copying to AlignedFragments data structure # naming current conformation dimer//try7-opt2.unpack # ReadConformPDB reading from PDB file ../dimer/decoys/T0373.try8-opt1-scwrl.pdb.gz looking for chain 'A' model 1 # Found a chain break before 97 # copying to AlignedFragments data structure # naming current conformation dimer//try8-opt1-scwrl # ReadConformPDB reading from PDB file ../dimer/decoys/T0373.try8-opt1.pdb.gz looking for chain 'A' model 1 # Found a chain break before 97 # copying to AlignedFragments data structure # naming current conformation dimer//try8-opt1 # ReadConformPDB reading from PDB file ../dimer/decoys/T0373.try8-opt2.pdb.gz looking for chain 'A' model 1 # Found a chain break before 97 # copying to AlignedFragments data structure # naming current conformation dimer//try8-opt2 # ReadConformPDB reading from PDB file ../dimer/decoys/T0373.try8-opt2.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 97 # copying to AlignedFragments data structure # naming current conformation dimer//try8-opt2.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0373.try8-opt2.unpack.gromacs0.pdb.gz looking for chain 'A' model 1 # Found a chain break before 49 # copying to AlignedFragments data structure # naming current conformation dimer//try8-opt2.unpack.gromacs0 # ReadConformPDB reading from PDB file ../dimer/decoys/T0373.try8-opt2.unpack.gromacs0.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 49 # copying to AlignedFragments data structure # naming current conformation dimer//try8-opt2.unpack.gromacs0.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0373.try8-opt2.unpack.pdb.gz looking for chain 'A' model 1 # Found a chain break before 97 # copying to AlignedFragments data structure # naming current conformation dimer//try8-opt2.unpack # ReadConformPDB reading from PDB file ../dimer/decoys/T0373.try9-opt1-scwrl.pdb.gz looking for chain 'A' model 1 # naming current conformation dimer//try9-opt1-scwrl # ReadConformPDB reading from PDB file ../dimer/decoys/T0373.try9-opt1.pdb.gz looking for chain 'A' model 1 # naming current conformation dimer//try9-opt1 # ReadConformPDB reading from PDB file ../dimer/decoys/T0373.try9-opt2.pdb.gz looking for chain 'A' model 1 # Found a chain break before 87 # copying to AlignedFragments data structure # naming current conformation dimer//try9-opt2 # ReadConformPDB reading from PDB file ../dimer/decoys/T0373.try9-opt2.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 87 # copying to AlignedFragments data structure # naming current conformation dimer//try9-opt2.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0373.try9-opt2.unpack.gromacs0.pdb.gz looking for chain 'A' model 1 # naming current conformation dimer//try9-opt2.unpack.gromacs0 # ReadConformPDB reading from PDB file ../dimer/decoys/T0373.try9-opt2.unpack.gromacs0.repack-nonPC.pdb.gz looking for chain 'A' model 1 # naming current conformation dimer//try9-opt2.unpack.gromacs0.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0373.try9-opt2.unpack.pdb.gz looking for chain 'A' model 1 # Found a chain break before 87 # copying to AlignedFragments data structure # naming current conformation dimer//try9-opt2.unpack # ReadConformPDB reading from PDB file ../dimer/decoys/dimer-1-1jgsA.pdb.gz looking for chain 'A' model 1 # Found a chain break before 123 # copying to AlignedFragments data structure # naming current conformation dimer//dimer-1-1jgsA # ReadConformPDB reading from PDB file ../dimer/decoys/dimer-1-1lnwA.pdb.gz looking for chain 'A' model 1 # Found a chain break before 123 # copying to AlignedFragments data structure # naming current conformation dimer//dimer-1-1lnwA # ReadConformPDB reading from PDB file ../dimer/decoys/dimer-1-2a61A.pdb.gz looking for chain 'A' model 1 # Found a chain break before 123 # copying to AlignedFragments data structure # naming current conformation dimer//dimer-1-2a61A # ReadConformPDB reading from PDB file ../dimer/decoys/dimer-1-2fbhA.pdb.gz looking for chain 'A' model 1 # Found a chain break before 123 # copying to AlignedFragments data structure # naming current conformation dimer//dimer-1-2fbhA # ReadConformPDB reading from PDB file ../dimer/decoys/dimer-6-1jgsA.pdb.gz looking for chain 'A' model 1 # Found a chain break before 120 # copying to AlignedFragments data structure # naming current conformation dimer//dimer-6-1jgsA # ReadConformPDB reading from PDB file ../dimer/decoys/dimer-6-1lnwA.pdb.gz looking for chain 'A' model 1 # Found a chain break before 120 # copying to AlignedFragments data structure # naming current conformation dimer//dimer-6-1lnwA # ReadConformPDB reading from PDB file ../dimer/decoys/dimer-6-2a61A.pdb.gz looking for chain 'A' model 1 # Found a chain break before 120 # copying to AlignedFragments data structure # naming current conformation dimer//dimer-6-2a61A # ReadConformPDB reading from PDB file ../dimer/decoys/dimer-6-2fbhA.pdb.gz looking for chain 'A' model 1 # Found a chain break before 120 # copying to AlignedFragments data structure # naming current conformation dimer//dimer-6-2fbhA # ReadConformPDB reading from PDB file ../dimer/decoys/dimer-7-1jgsA.pdb.gz looking for chain 'A' model 1 # Found a chain break before 48 # copying to AlignedFragments data structure # naming current conformation dimer//dimer-7-1jgsA # ReadConformPDB reading from PDB file ../dimer/decoys/dimer-7-1lnwA.pdb.gz looking for chain 'A' model 1 # Found a chain break before 48 # copying to AlignedFragments data structure # naming current conformation dimer//dimer-7-1lnwA # ReadConformPDB reading from PDB file ../dimer/decoys/dimer-7-2a61A.pdb.gz looking for chain 'A' model 1 # Found a chain break before 48 # copying to AlignedFragments data structure # naming current conformation dimer//dimer-7-2a61A # ReadConformPDB reading from PDB file ../dimer/decoys/dimer-7-2fbhA.pdb.gz looking for chain 'A' model 1 # Found a chain break before 48 # copying to AlignedFragments data structure # naming current conformation dimer//dimer-7-2fbhA # ReadConformPDB reading from PDB file ../dimer/decoys/dimer-chimera-1-2a61A.pdb.gz looking for chain 'A' model 1 # Found a chain break before 122 # copying to AlignedFragments data structure # naming current conformation dimer//dimer-chimera-1-2a61A # ReadConformPDB reading from PDB file servers/3D-JIGSAW_POPULUS_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0373 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_POPULUS_TS1 # request to SCWRL produces command: ulimit -t 133 ; scwrl3 -i /var/tmp/to_scwrl_2054454685.pdb -s /var/tmp/to_scwrl_2054454685.seq -o /var/tmp/from_scwrl_2054454685.pdb > /var/tmp/scwrl_2054454685.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2054454685.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 T0373 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_POPULUS_TS2 # request to SCWRL produces command: ulimit -t 133 ; scwrl3 -i /var/tmp/to_scwrl_721626407.pdb -s /var/tmp/to_scwrl_721626407.seq -o /var/tmp/from_scwrl_721626407.pdb > /var/tmp/scwrl_721626407.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_721626407.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 T0373 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_POPULUS_TS3 # request to SCWRL produces command: ulimit -t 133 ; scwrl3 -i /var/tmp/to_scwrl_1451853341.pdb -s /var/tmp/to_scwrl_1451853341.seq -o /var/tmp/from_scwrl_1451853341.pdb > /var/tmp/scwrl_1451853341.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1451853341.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 T0373 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_POPULUS_TS4 # request to SCWRL produces command: ulimit -t 133 ; scwrl3 -i /var/tmp/to_scwrl_922013453.pdb -s /var/tmp/to_scwrl_922013453.seq -o /var/tmp/from_scwrl_922013453.pdb > /var/tmp/scwrl_922013453.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_922013453.pdb # conformation set from SCWRL output # naming current conformation 3D-JIGSAW_POPULUS_TS4-scwrl # ReadConformPDB reading from PDB file servers/3D-JIGSAW_POPULUS_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0373 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_POPULUS_TS5 # request to SCWRL produces command: ulimit -t 133 ; scwrl3 -i /var/tmp/to_scwrl_565502833.pdb -s /var/tmp/to_scwrl_565502833.seq -o /var/tmp/from_scwrl_565502833.pdb > /var/tmp/scwrl_565502833.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_565502833.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 T0373 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS1 # request to SCWRL produces command: ulimit -t 133 ; scwrl3 -i /var/tmp/to_scwrl_95195073.pdb -s /var/tmp/to_scwrl_95195073.seq -o /var/tmp/from_scwrl_95195073.pdb > /var/tmp/scwrl_95195073.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_95195073.pdb # conformation set from SCWRL output # naming current conformation 3D-JIGSAW_RECOM_TS1-scwrl # ReadConformPDB reading from PDB file servers/3D-JIGSAW_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0373 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_TS1 # request to SCWRL produces command: ulimit -t 133 ; scwrl3 -i /var/tmp/to_scwrl_1515946676.pdb -s /var/tmp/to_scwrl_1515946676.seq -o /var/tmp/from_scwrl_1515946676.pdb > /var/tmp/scwrl_1515946676.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1515946676.pdb # conformation set from SCWRL output # naming current conformation 3D-JIGSAW_TS1-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 133 ; scwrl3 -i /var/tmp/to_scwrl_611334473.pdb -s /var/tmp/to_scwrl_611334473.seq -o /var/tmp/from_scwrl_611334473.pdb > /var/tmp/scwrl_611334473.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_611334473.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 # naming current conformation 3Dpro_TS2 # request to SCWRL produces command: ulimit -t 133 ; scwrl3 -i /var/tmp/to_scwrl_1234063042.pdb -s /var/tmp/to_scwrl_1234063042.seq -o /var/tmp/from_scwrl_1234063042.pdb > /var/tmp/scwrl_1234063042.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1234063042.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 122 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS3 # request to SCWRL produces command: ulimit -t 133 ; scwrl3 -i /var/tmp/to_scwrl_2040165489.pdb -s /var/tmp/to_scwrl_2040165489.seq -o /var/tmp/from_scwrl_2040165489.pdb > /var/tmp/scwrl_2040165489.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2040165489.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 # naming current conformation 3Dpro_TS4 # request to SCWRL produces command: ulimit -t 133 ; scwrl3 -i /var/tmp/to_scwrl_137229683.pdb -s /var/tmp/to_scwrl_137229683.seq -o /var/tmp/from_scwrl_137229683.pdb > /var/tmp/scwrl_137229683.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_137229683.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 118 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS5 # request to SCWRL produces command: ulimit -t 133 ; scwrl3 -i /var/tmp/to_scwrl_1493595515.pdb -s /var/tmp/to_scwrl_1493595515.seq -o /var/tmp/from_scwrl_1493595515.pdb > /var/tmp/scwrl_1493595515.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1493595515.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 94 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS1 # request to SCWRL produces command: ulimit -t 133 ; scwrl3 -i /var/tmp/to_scwrl_1482767552.pdb -s /var/tmp/to_scwrl_1482767552.seq -o /var/tmp/from_scwrl_1482767552.pdb > /var/tmp/scwrl_1482767552.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1482767552.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 125 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS2 # request to SCWRL produces command: ulimit -t 133 ; scwrl3 -i /var/tmp/to_scwrl_2125779324.pdb -s /var/tmp/to_scwrl_2125779324.seq -o /var/tmp/from_scwrl_2125779324.pdb > /var/tmp/scwrl_2125779324.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2125779324.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 39 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS3 # request to SCWRL produces command: ulimit -t 133 ; scwrl3 -i /var/tmp/to_scwrl_1651426168.pdb -s /var/tmp/to_scwrl_1651426168.seq -o /var/tmp/from_scwrl_1651426168.pdb > /var/tmp/scwrl_1651426168.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1651426168.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 123 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS4 # request to SCWRL produces command: ulimit -t 133 ; scwrl3 -i /var/tmp/to_scwrl_1071978091.pdb -s /var/tmp/to_scwrl_1071978091.seq -o /var/tmp/from_scwrl_1071978091.pdb > /var/tmp/scwrl_1071978091.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1071978091.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 140 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS5 # request to SCWRL produces command: ulimit -t 133 ; scwrl3 -i /var/tmp/to_scwrl_1150952739.pdb -s /var/tmp/to_scwrl_1150952739.seq -o /var/tmp/from_scwrl_1150952739.pdb > /var/tmp/scwrl_1150952739.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1150952739.pdb # conformation set from SCWRL output # naming current conformation ABIpro_TS5-scwrl # ReadConformPDB reading from PDB file servers/BayesHH_TS1.pdb.gz looking for model 1 # Found a chain break before 113 # copying to AlignedFragments data structure # naming current conformation BayesHH_TS1 # request to SCWRL produces command: ulimit -t 133 ; scwrl3 -i /var/tmp/to_scwrl_1916604374.pdb -s /var/tmp/to_scwrl_1916604374.seq -o /var/tmp/from_scwrl_1916604374.pdb > /var/tmp/scwrl_1916604374.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1916604374.pdb # conformation set from SCWRL output # naming current conformation BayesHH_TS1-scwrl # ReadConformPDB reading from PDB file servers/Bilab-ENABLE_TS1.pdb.gz looking for model 1 # Found a chain break before 105 # copying to AlignedFragments data structure # naming current conformation Bilab-ENABLE_TS1 # request to SCWRL produces command: ulimit -t 133 ; scwrl3 -i /var/tmp/to_scwrl_1631464328.pdb -s /var/tmp/to_scwrl_1631464328.seq -o /var/tmp/from_scwrl_1631464328.pdb > /var/tmp/scwrl_1631464328.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1631464328.pdb # conformation set from SCWRL output # naming current conformation Bilab-ENABLE_TS1-scwrl # ReadConformPDB reading from PDB file servers/Bilab-ENABLE_TS2.pdb.gz looking for model 1 # Found a chain break before 31 # copying to AlignedFragments data structure # naming current conformation Bilab-ENABLE_TS2 # request to SCWRL produces command: ulimit -t 133 ; scwrl3 -i /var/tmp/to_scwrl_1968982812.pdb -s /var/tmp/to_scwrl_1968982812.seq -o /var/tmp/from_scwrl_1968982812.pdb > /var/tmp/scwrl_1968982812.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1968982812.pdb # conformation set from SCWRL output # naming current conformation Bilab-ENABLE_TS2-scwrl # ReadConformPDB reading from PDB file servers/Bilab-ENABLE_TS3.pdb.gz looking for model 1 # Found a chain break before 108 # copying to AlignedFragments data structure # naming current conformation Bilab-ENABLE_TS3 # request to SCWRL produces command: ulimit -t 133 ; scwrl3 -i /var/tmp/to_scwrl_150061511.pdb -s /var/tmp/to_scwrl_150061511.seq -o /var/tmp/from_scwrl_150061511.pdb > /var/tmp/scwrl_150061511.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_150061511.pdb # conformation set from SCWRL output # naming current conformation Bilab-ENABLE_TS3-scwrl # ReadConformPDB reading from PDB file servers/Bilab-ENABLE_TS4.pdb.gz looking for model 1 # naming current conformation Bilab-ENABLE_TS4 # request to SCWRL produces command: ulimit -t 133 ; scwrl3 -i /var/tmp/to_scwrl_978762584.pdb -s /var/tmp/to_scwrl_978762584.seq -o /var/tmp/from_scwrl_978762584.pdb > /var/tmp/scwrl_978762584.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_978762584.pdb # conformation set from SCWRL output # naming current conformation Bilab-ENABLE_TS4-scwrl # ReadConformPDB reading from PDB file servers/CIRCLE_TS1.pdb.gz looking for model 1 # Found a chain break before 146 # copying to AlignedFragments data structure # naming current conformation CIRCLE_TS1 # request to SCWRL produces command: ulimit -t 133 ; scwrl3 -i /var/tmp/to_scwrl_1021162921.pdb -s /var/tmp/to_scwrl_1021162921.seq -o /var/tmp/from_scwrl_1021162921.pdb > /var/tmp/scwrl_1021162921.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1021162921.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 # Found a chain break before 146 # copying to AlignedFragments data structure # naming current conformation CIRCLE_TS2 # request to SCWRL produces command: ulimit -t 133 ; scwrl3 -i /var/tmp/to_scwrl_1061668375.pdb -s /var/tmp/to_scwrl_1061668375.seq -o /var/tmp/from_scwrl_1061668375.pdb > /var/tmp/scwrl_1061668375.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1061668375.pdb # conformation set from SCWRL output # naming current conformation CIRCLE_TS2-scwrl # ReadConformPDB reading from PDB file servers/CIRCLE_TS3.pdb.gz looking for model 1 # Found a chain break before 136 # copying to AlignedFragments data structure # naming current conformation CIRCLE_TS3 # request to SCWRL produces command: ulimit -t 133 ; scwrl3 -i /var/tmp/to_scwrl_1990827341.pdb -s /var/tmp/to_scwrl_1990827341.seq -o /var/tmp/from_scwrl_1990827341.pdb > /var/tmp/scwrl_1990827341.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1990827341.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 T0373 can't currently be optimized by undertaker # naming current conformation CIRCLE_TS4 # request to SCWRL produces command: ulimit -t 133 ; scwrl3 -i /var/tmp/to_scwrl_1593634330.pdb -s /var/tmp/to_scwrl_1593634330.seq -o /var/tmp/from_scwrl_1593634330.pdb > /var/tmp/scwrl_1593634330.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1593634330.pdb # conformation set from SCWRL output # naming current conformation CIRCLE_TS4-scwrl # ReadConformPDB reading from PDB file servers/CIRCLE_TS5.pdb.gz looking for model 1 # Found a chain break before 146 # copying to AlignedFragments data structure # naming current conformation CIRCLE_TS5 # request to SCWRL produces command: ulimit -t 133 ; scwrl3 -i /var/tmp/to_scwrl_139103871.pdb -s /var/tmp/to_scwrl_139103871.seq -o /var/tmp/from_scwrl_139103871.pdb > /var/tmp/scwrl_139103871.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_139103871.pdb # conformation set from SCWRL output # naming current conformation CIRCLE_TS5-scwrl # ReadConformPDB reading from PDB file servers/CPHmodels_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0373 can't currently be optimized by undertaker # naming current conformation CPHmodels_TS1 # request to SCWRL produces command: ulimit -t 133 ; scwrl3 -i /var/tmp/to_scwrl_815904429.pdb -s /var/tmp/to_scwrl_815904429.seq -o /var/tmp/from_scwrl_815904429.pdb > /var/tmp/scwrl_815904429.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_815904429.pdb # conformation set from SCWRL output # naming current conformation CPHmodels_TS1-scwrl # ReadConformPDB reading from PDB file servers/CaspIta-FOX_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0373 can't currently be optimized by undertaker # naming current conformation CaspIta-FOX_TS1 # request to SCWRL produces command: ulimit -t 133 ; scwrl3 -i /var/tmp/to_scwrl_1071233639.pdb -s /var/tmp/to_scwrl_1071233639.seq -o /var/tmp/from_scwrl_1071233639.pdb > /var/tmp/scwrl_1071233639.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1071233639.pdb # conformation set from SCWRL output # naming current conformation CaspIta-FOX_TS1-scwrl # ReadConformPDB reading from PDB file servers/CaspIta-FOX_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0373 can't currently be optimized by undertaker # naming current conformation CaspIta-FOX_TS2 # request to SCWRL produces command: ulimit -t 133 ; scwrl3 -i /var/tmp/to_scwrl_317019322.pdb -s /var/tmp/to_scwrl_317019322.seq -o /var/tmp/from_scwrl_317019322.pdb > /var/tmp/scwrl_317019322.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_317019322.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 T0373 can't currently be optimized by undertaker # naming current conformation CaspIta-FOX_TS3 # request to SCWRL produces command: ulimit -t 133 ; scwrl3 -i /var/tmp/to_scwrl_30310040.pdb -s /var/tmp/to_scwrl_30310040.seq -o /var/tmp/from_scwrl_30310040.pdb > /var/tmp/scwrl_30310040.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_30310040.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 T0373 can't currently be optimized by undertaker # naming current conformation CaspIta-FOX_TS4 # request to SCWRL produces command: ulimit -t 133 ; scwrl3 -i /var/tmp/to_scwrl_978204677.pdb -s /var/tmp/to_scwrl_978204677.seq -o /var/tmp/from_scwrl_978204677.pdb > /var/tmp/scwrl_978204677.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_978204677.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 T0373 can't currently be optimized by undertaker # naming current conformation CaspIta-FOX_TS5 # request to SCWRL produces command: ulimit -t 133 ; scwrl3 -i /var/tmp/to_scwrl_1038645729.pdb -s /var/tmp/to_scwrl_1038645729.seq -o /var/tmp/from_scwrl_1038645729.pdb > /var/tmp/scwrl_1038645729.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1038645729.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 T0373 can't currently be optimized by undertaker # naming current conformation Distill_TS1 # request to SCWRL produces command: ulimit -t 133 ; scwrl3 -i /var/tmp/to_scwrl_1482163381.pdb -s /var/tmp/to_scwrl_1482163381.seq -o /var/tmp/from_scwrl_1482163381.pdb > /var/tmp/scwrl_1482163381.log Error: Couldn't open file /var/tmp/from_scwrl_1482163381.pdb or /var/tmp/from_scwrl_1482163381.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1482163381_b.pdb or decoys//var/tmp/from_scwrl_1482163381_b.pdb.gz for input Trying /var/tmp/from_scwrl_1482163381_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1482163381_b.pdb or /var/tmp/from_scwrl_1482163381_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1482163381_a.pdb or decoys//var/tmp/from_scwrl_1482163381_a.pdb.gz for input Trying /var/tmp/from_scwrl_1482163381_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1482163381_a.pdb or /var/tmp/from_scwrl_1482163381_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1482163381.pdb or /var/tmp/from_scwrl_1482163381_b.pdb or /var/tmp/from_scwrl_1482163381_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 T0373 can't currently be optimized by undertaker # naming current conformation Distill_TS2 # request to SCWRL produces command: ulimit -t 133 ; scwrl3 -i /var/tmp/to_scwrl_1900218130.pdb -s /var/tmp/to_scwrl_1900218130.seq -o /var/tmp/from_scwrl_1900218130.pdb > /var/tmp/scwrl_1900218130.log Error: Couldn't open file /var/tmp/from_scwrl_1900218130.pdb or /var/tmp/from_scwrl_1900218130.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1900218130_b.pdb or decoys//var/tmp/from_scwrl_1900218130_b.pdb.gz for input Trying /var/tmp/from_scwrl_1900218130_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1900218130_b.pdb or /var/tmp/from_scwrl_1900218130_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1900218130_a.pdb or decoys//var/tmp/from_scwrl_1900218130_a.pdb.gz for input Trying /var/tmp/from_scwrl_1900218130_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1900218130_a.pdb or /var/tmp/from_scwrl_1900218130_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1900218130.pdb or /var/tmp/from_scwrl_1900218130_b.pdb or /var/tmp/from_scwrl_1900218130_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 T0373 can't currently be optimized by undertaker # naming current conformation Distill_TS3 # request to SCWRL produces command: ulimit -t 133 ; scwrl3 -i /var/tmp/to_scwrl_1604148561.pdb -s /var/tmp/to_scwrl_1604148561.seq -o /var/tmp/from_scwrl_1604148561.pdb > /var/tmp/scwrl_1604148561.log Error: Couldn't open file /var/tmp/from_scwrl_1604148561.pdb or /var/tmp/from_scwrl_1604148561.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1604148561_b.pdb or decoys//var/tmp/from_scwrl_1604148561_b.pdb.gz for input Trying /var/tmp/from_scwrl_1604148561_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1604148561_b.pdb or /var/tmp/from_scwrl_1604148561_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1604148561_a.pdb or decoys//var/tmp/from_scwrl_1604148561_a.pdb.gz for input Trying /var/tmp/from_scwrl_1604148561_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1604148561_a.pdb or /var/tmp/from_scwrl_1604148561_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1604148561.pdb or /var/tmp/from_scwrl_1604148561_b.pdb or /var/tmp/from_scwrl_1604148561_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 T0373 can't currently be optimized by undertaker # naming current conformation Distill_TS4 # request to SCWRL produces command: ulimit -t 133 ; scwrl3 -i /var/tmp/to_scwrl_1577358455.pdb -s /var/tmp/to_scwrl_1577358455.seq -o /var/tmp/from_scwrl_1577358455.pdb > /var/tmp/scwrl_1577358455.log Error: Couldn't open file /var/tmp/from_scwrl_1577358455.pdb or /var/tmp/from_scwrl_1577358455.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1577358455_b.pdb or decoys//var/tmp/from_scwrl_1577358455_b.pdb.gz for input Trying /var/tmp/from_scwrl_1577358455_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1577358455_b.pdb or /var/tmp/from_scwrl_1577358455_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1577358455_a.pdb or decoys//var/tmp/from_scwrl_1577358455_a.pdb.gz for input Trying /var/tmp/from_scwrl_1577358455_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1577358455_a.pdb or /var/tmp/from_scwrl_1577358455_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1577358455.pdb or /var/tmp/from_scwrl_1577358455_b.pdb or /var/tmp/from_scwrl_1577358455_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 T0373 can't currently be optimized by undertaker # naming current conformation Distill_TS5 # request to SCWRL produces command: ulimit -t 133 ; scwrl3 -i /var/tmp/to_scwrl_1268681159.pdb -s /var/tmp/to_scwrl_1268681159.seq -o /var/tmp/from_scwrl_1268681159.pdb > /var/tmp/scwrl_1268681159.log Error: Couldn't open file /var/tmp/from_scwrl_1268681159.pdb or /var/tmp/from_scwrl_1268681159.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1268681159_b.pdb or decoys//var/tmp/from_scwrl_1268681159_b.pdb.gz for input Trying /var/tmp/from_scwrl_1268681159_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1268681159_b.pdb or /var/tmp/from_scwrl_1268681159_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1268681159_a.pdb or decoys//var/tmp/from_scwrl_1268681159_a.pdb.gz for input Trying /var/tmp/from_scwrl_1268681159_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1268681159_a.pdb or /var/tmp/from_scwrl_1268681159_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1268681159.pdb or /var/tmp/from_scwrl_1268681159_b.pdb or /var/tmp/from_scwrl_1268681159_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 31 # copying to AlignedFragments data structure # naming current conformation FAMSD_TS1 # request to SCWRL produces command: ulimit -t 133 ; scwrl3 -i /var/tmp/to_scwrl_67999387.pdb -s /var/tmp/to_scwrl_67999387.seq -o /var/tmp/from_scwrl_67999387.pdb > /var/tmp/scwrl_67999387.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_67999387.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 T0373 can't currently be optimized by undertaker # naming current conformation FAMSD_TS2 # request to SCWRL produces command: ulimit -t 133 ; scwrl3 -i /var/tmp/to_scwrl_663937851.pdb -s /var/tmp/to_scwrl_663937851.seq -o /var/tmp/from_scwrl_663937851.pdb > /var/tmp/scwrl_663937851.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_663937851.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 T0373 can't currently be optimized by undertaker # naming current conformation FAMSD_TS3 # request to SCWRL produces command: ulimit -t 133 ; scwrl3 -i /var/tmp/to_scwrl_1161363001.pdb -s /var/tmp/to_scwrl_1161363001.seq -o /var/tmp/from_scwrl_1161363001.pdb > /var/tmp/scwrl_1161363001.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1161363001.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 T0373 can't currently be optimized by undertaker # naming current conformation FAMSD_TS4 # request to SCWRL produces command: ulimit -t 133 ; scwrl3 -i /var/tmp/to_scwrl_205229071.pdb -s /var/tmp/to_scwrl_205229071.seq -o /var/tmp/from_scwrl_205229071.pdb > /var/tmp/scwrl_205229071.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_205229071.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 T0373 can't currently be optimized by undertaker # naming current conformation FAMSD_TS5 # request to SCWRL produces command: ulimit -t 133 ; scwrl3 -i /var/tmp/to_scwrl_10049719.pdb -s /var/tmp/to_scwrl_10049719.seq -o /var/tmp/from_scwrl_10049719.pdb > /var/tmp/scwrl_10049719.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_10049719.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 146 # copying to AlignedFragments data structure # naming current conformation FAMS_TS1 # request to SCWRL produces command: ulimit -t 133 ; scwrl3 -i /var/tmp/to_scwrl_496646907.pdb -s /var/tmp/to_scwrl_496646907.seq -o /var/tmp/from_scwrl_496646907.pdb > /var/tmp/scwrl_496646907.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_496646907.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 T0373 can't currently be optimized by undertaker # naming current conformation FAMS_TS2 # request to SCWRL produces command: ulimit -t 133 ; scwrl3 -i /var/tmp/to_scwrl_183524748.pdb -s /var/tmp/to_scwrl_183524748.seq -o /var/tmp/from_scwrl_183524748.pdb > /var/tmp/scwrl_183524748.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_183524748.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 # Found a chain break before 143 # copying to AlignedFragments data structure # naming current conformation FAMS_TS3 # request to SCWRL produces command: ulimit -t 133 ; scwrl3 -i /var/tmp/to_scwrl_1661475887.pdb -s /var/tmp/to_scwrl_1661475887.seq -o /var/tmp/from_scwrl_1661475887.pdb > /var/tmp/scwrl_1661475887.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1661475887.pdb # conformation set from SCWRL output # naming current conformation FAMS_TS3-scwrl # ReadConformPDB reading from PDB file servers/FAMS_TS4.pdb.gz looking for model 1 # Found a chain break before 146 # copying to AlignedFragments data structure # naming current conformation FAMS_TS4 # request to SCWRL produces command: ulimit -t 133 ; scwrl3 -i /var/tmp/to_scwrl_1568624997.pdb -s /var/tmp/to_scwrl_1568624997.seq -o /var/tmp/from_scwrl_1568624997.pdb > /var/tmp/scwrl_1568624997.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1568624997.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 136 # copying to AlignedFragments data structure # naming current conformation FAMS_TS5 # request to SCWRL produces command: ulimit -t 133 ; scwrl3 -i /var/tmp/to_scwrl_1334477487.pdb -s /var/tmp/to_scwrl_1334477487.seq -o /var/tmp/from_scwrl_1334477487.pdb > /var/tmp/scwrl_1334477487.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1334477487.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 # naming current conformation FOLDpro_TS1 # request to SCWRL produces command: ulimit -t 133 ; scwrl3 -i /var/tmp/to_scwrl_1430596614.pdb -s /var/tmp/to_scwrl_1430596614.seq -o /var/tmp/from_scwrl_1430596614.pdb > /var/tmp/scwrl_1430596614.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1430596614.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 129 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS2 # request to SCWRL produces command: ulimit -t 133 ; scwrl3 -i /var/tmp/to_scwrl_1052605679.pdb -s /var/tmp/to_scwrl_1052605679.seq -o /var/tmp/from_scwrl_1052605679.pdb > /var/tmp/scwrl_1052605679.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1052605679.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 # naming current conformation FOLDpro_TS3 # request to SCWRL produces command: ulimit -t 133 ; scwrl3 -i /var/tmp/to_scwrl_1155976652.pdb -s /var/tmp/to_scwrl_1155976652.seq -o /var/tmp/from_scwrl_1155976652.pdb > /var/tmp/scwrl_1155976652.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1155976652.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 7 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS4 # request to SCWRL produces command: ulimit -t 133 ; scwrl3 -i /var/tmp/to_scwrl_1580658125.pdb -s /var/tmp/to_scwrl_1580658125.seq -o /var/tmp/from_scwrl_1580658125.pdb > /var/tmp/scwrl_1580658125.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1580658125.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 31 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS5 # request to SCWRL produces command: ulimit -t 133 ; scwrl3 -i /var/tmp/to_scwrl_2031368263.pdb -s /var/tmp/to_scwrl_2031368263.seq -o /var/tmp/from_scwrl_2031368263.pdb > /var/tmp/scwrl_2031368263.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2031368263.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 Skipped atom 54, because occupancy 1 <= existing 1.000 in servers/FORTE1_AL1.pdb.gz Skipped atom 56, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL1.pdb.gz Skipped atom 58, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL1.pdb.gz Skipped atom 60, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL1.pdb.gz Skipped atom 130, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL1.pdb.gz Skipped atom 132, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL1.pdb.gz Skipped atom 134, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL1.pdb.gz Skipped atom 136, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL1.pdb.gz Skipped atom 194, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL1.pdb.gz Skipped atom 196, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL1.pdb.gz Skipped atom 198, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL1.pdb.gz Skipped atom 200, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL1.pdb.gz Skipped atom 234, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL1.pdb.gz Skipped atom 236, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL1.pdb.gz Skipped atom 238, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL1.pdb.gz Skipped atom 240, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL1.pdb.gz Skipped atom 334, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL1.pdb.gz Skipped atom 336, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL1.pdb.gz Skipped atom 338, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL1.pdb.gz Skipped atom 340, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL1.pdb.gz Skipped atom 422, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL1.pdb.gz Skipped atom 424, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL1.pdb.gz Skipped atom 426, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL1.pdb.gz Skipped atom 428, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL1.pdb.gz Skipped atom 446, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL1.pdb.gz Skipped atom 448, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL1.pdb.gz Skipped atom 450, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL1.pdb.gz Skipped atom 452, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL1.pdb.gz Skipped atom 514, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL1.pdb.gz Skipped atom 516, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL1.pdb.gz Skipped atom 518, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL1.pdb.gz Skipped atom 520, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL1.pdb.gz # WARNING: incomplete conformation T0373 can't currently be optimized by undertaker # naming current conformation FORTE1_AL1 # request to SCWRL produces command: ulimit -t 133 ; scwrl3 -i /var/tmp/to_scwrl_29655926.pdb -s /var/tmp/to_scwrl_29655926.seq -o /var/tmp/from_scwrl_29655926.pdb > /var/tmp/scwrl_29655926.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_29655926.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 T0373 can't currently be optimized by undertaker # naming current conformation FORTE1_AL2 # request to SCWRL produces command: ulimit -t 133 ; scwrl3 -i /var/tmp/to_scwrl_494842854.pdb -s /var/tmp/to_scwrl_494842854.seq -o /var/tmp/from_scwrl_494842854.pdb > /var/tmp/scwrl_494842854.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_494842854.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 555, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL3.pdb.gz # WARNING: incomplete conformation T0373 can't currently be optimized by undertaker # naming current conformation FORTE1_AL3 # request to SCWRL produces command: ulimit -t 133 ; scwrl3 -i /var/tmp/to_scwrl_1874711957.pdb -s /var/tmp/to_scwrl_1874711957.seq -o /var/tmp/from_scwrl_1874711957.pdb > /var/tmp/scwrl_1874711957.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1874711957.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 Skipped atom 330, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz Skipped atom 332, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz Skipped atom 334, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz Skipped atom 336, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz Skipped atom 450, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz Skipped atom 452, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz Skipped atom 454, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz Skipped atom 456, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz Skipped atom 530, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz Skipped atom 532, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz Skipped atom 534, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz Skipped atom 536, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz # WARNING: incomplete conformation T0373 can't currently be optimized by undertaker # naming current conformation FORTE1_AL4 # request to SCWRL produces command: ulimit -t 133 ; scwrl3 -i /var/tmp/to_scwrl_1623290256.pdb -s /var/tmp/to_scwrl_1623290256.seq -o /var/tmp/from_scwrl_1623290256.pdb > /var/tmp/scwrl_1623290256.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1623290256.pdb # conformation set from SCWRL output # naming current conformation FORTE1_AL4-scwrl # ReadConformPDB reading from PDB file servers/FORTE1_AL5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0373 can't currently be optimized by undertaker # naming current conformation FORTE1_AL5 # request to SCWRL produces command: ulimit -t 133 ; scwrl3 -i /var/tmp/to_scwrl_633946725.pdb -s /var/tmp/to_scwrl_633946725.seq -o /var/tmp/from_scwrl_633946725.pdb > /var/tmp/scwrl_633946725.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_633946725.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 Skipped atom 54, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL1.pdb.gz Skipped atom 56, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL1.pdb.gz Skipped atom 58, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL1.pdb.gz Skipped atom 60, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL1.pdb.gz Skipped atom 130, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL1.pdb.gz Skipped atom 132, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL1.pdb.gz Skipped atom 134, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL1.pdb.gz Skipped atom 136, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL1.pdb.gz Skipped atom 194, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL1.pdb.gz Skipped atom 196, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL1.pdb.gz Skipped atom 198, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL1.pdb.gz Skipped atom 200, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL1.pdb.gz Skipped atom 234, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL1.pdb.gz Skipped atom 236, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL1.pdb.gz Skipped atom 238, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL1.pdb.gz Skipped atom 240, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL1.pdb.gz Skipped atom 334, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL1.pdb.gz Skipped atom 336, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL1.pdb.gz Skipped atom 338, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL1.pdb.gz Skipped atom 340, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL1.pdb.gz Skipped atom 422, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL1.pdb.gz Skipped atom 424, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL1.pdb.gz Skipped atom 426, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL1.pdb.gz Skipped atom 428, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL1.pdb.gz Skipped atom 446, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL1.pdb.gz Skipped atom 448, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL1.pdb.gz Skipped atom 450, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL1.pdb.gz Skipped atom 452, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL1.pdb.gz Skipped atom 514, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL1.pdb.gz Skipped atom 516, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL1.pdb.gz Skipped atom 518, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL1.pdb.gz Skipped atom 520, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL1.pdb.gz # WARNING: incomplete conformation T0373 can't currently be optimized by undertaker # naming current conformation FORTE2_AL1 # request to SCWRL produces command: ulimit -t 133 ; scwrl3 -i /var/tmp/to_scwrl_543132739.pdb -s /var/tmp/to_scwrl_543132739.seq -o /var/tmp/from_scwrl_543132739.pdb > /var/tmp/scwrl_543132739.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_543132739.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 T0373 can't currently be optimized by undertaker # naming current conformation FORTE2_AL2 # request to SCWRL produces command: ulimit -t 133 ; scwrl3 -i /var/tmp/to_scwrl_547040248.pdb -s /var/tmp/to_scwrl_547040248.seq -o /var/tmp/from_scwrl_547040248.pdb > /var/tmp/scwrl_547040248.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_547040248.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 555, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL3.pdb.gz # WARNING: incomplete conformation T0373 can't currently be optimized by undertaker # naming current conformation FORTE2_AL3 # request to SCWRL produces command: ulimit -t 133 ; scwrl3 -i /var/tmp/to_scwrl_950966047.pdb -s /var/tmp/to_scwrl_950966047.seq -o /var/tmp/from_scwrl_950966047.pdb > /var/tmp/scwrl_950966047.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_950966047.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 Skipped atom 330, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL4.pdb.gz Skipped atom 332, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL4.pdb.gz Skipped atom 334, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL4.pdb.gz Skipped atom 336, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL4.pdb.gz Skipped atom 450, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL4.pdb.gz Skipped atom 452, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL4.pdb.gz Skipped atom 454, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL4.pdb.gz Skipped atom 456, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL4.pdb.gz Skipped atom 530, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL4.pdb.gz Skipped atom 532, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL4.pdb.gz Skipped atom 534, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL4.pdb.gz Skipped atom 536, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL4.pdb.gz # WARNING: incomplete conformation T0373 can't currently be optimized by undertaker # naming current conformation FORTE2_AL4 # request to SCWRL produces command: ulimit -t 133 ; scwrl3 -i /var/tmp/to_scwrl_573442779.pdb -s /var/tmp/to_scwrl_573442779.seq -o /var/tmp/from_scwrl_573442779.pdb > /var/tmp/scwrl_573442779.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_573442779.pdb # conformation set from SCWRL output # naming current conformation FORTE2_AL4-scwrl # ReadConformPDB reading from PDB file servers/FORTE2_AL5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0373 can't currently be optimized by undertaker # naming current conformation FORTE2_AL5 # request to SCWRL produces command: ulimit -t 133 ; scwrl3 -i /var/tmp/to_scwrl_1525244925.pdb -s /var/tmp/to_scwrl_1525244925.seq -o /var/tmp/from_scwrl_1525244925.pdb > /var/tmp/scwrl_1525244925.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1525244925.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 56 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS1 # request to SCWRL produces command: ulimit -t 133 ; scwrl3 -i /var/tmp/to_scwrl_1989611776.pdb -s /var/tmp/to_scwrl_1989611776.seq -o /var/tmp/from_scwrl_1989611776.pdb > /var/tmp/scwrl_1989611776.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1989611776.pdb # conformation set from SCWRL output # naming current conformation FPSOLVER-SERVER_TS1-scwrl # ReadConformPDB reading from PDB file servers/FPSOLVER-SERVER_TS2.pdb.gz looking for model 1 # Found a chain break before 53 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS2 # request to SCWRL produces command: ulimit -t 133 ; scwrl3 -i /var/tmp/to_scwrl_2055606161.pdb -s /var/tmp/to_scwrl_2055606161.seq -o /var/tmp/from_scwrl_2055606161.pdb > /var/tmp/scwrl_2055606161.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2055606161.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 16 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS3 # request to SCWRL produces command: ulimit -t 133 ; scwrl3 -i /var/tmp/to_scwrl_1277979408.pdb -s /var/tmp/to_scwrl_1277979408.seq -o /var/tmp/from_scwrl_1277979408.pdb > /var/tmp/scwrl_1277979408.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1277979408.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 125 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS4 # request to SCWRL produces command: ulimit -t 133 ; scwrl3 -i /var/tmp/to_scwrl_1446276690.pdb -s /var/tmp/to_scwrl_1446276690.seq -o /var/tmp/from_scwrl_1446276690.pdb > /var/tmp/scwrl_1446276690.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1446276690.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 135 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS5 # request to SCWRL produces command: ulimit -t 133 ; scwrl3 -i /var/tmp/to_scwrl_1485480969.pdb -s /var/tmp/to_scwrl_1485480969.seq -o /var/tmp/from_scwrl_1485480969.pdb > /var/tmp/scwrl_1485480969.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1485480969.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 T0373 can't currently be optimized by undertaker # naming current conformation FUGMOD_TS1 # request to SCWRL produces command: ulimit -t 133 ; scwrl3 -i /var/tmp/to_scwrl_399176921.pdb -s /var/tmp/to_scwrl_399176921.seq -o /var/tmp/from_scwrl_399176921.pdb > /var/tmp/scwrl_399176921.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_399176921.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 # WARNING: incomplete conformation T0373 can't currently be optimized by undertaker # naming current conformation FUGMOD_TS2 # request to SCWRL produces command: ulimit -t 133 ; scwrl3 -i /var/tmp/to_scwrl_1514276078.pdb -s /var/tmp/to_scwrl_1514276078.seq -o /var/tmp/from_scwrl_1514276078.pdb > /var/tmp/scwrl_1514276078.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1514276078.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 # WARNING: incomplete conformation T0373 can't currently be optimized by undertaker # naming current conformation FUGMOD_TS3 # request to SCWRL produces command: ulimit -t 133 ; scwrl3 -i /var/tmp/to_scwrl_1935173.pdb -s /var/tmp/to_scwrl_1935173.seq -o /var/tmp/from_scwrl_1935173.pdb > /var/tmp/scwrl_1935173.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1935173.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 T0373 can't currently be optimized by undertaker # naming current conformation FUGMOD_TS4 # request to SCWRL produces command: ulimit -t 133 ; scwrl3 -i /var/tmp/to_scwrl_1560539922.pdb -s /var/tmp/to_scwrl_1560539922.seq -o /var/tmp/from_scwrl_1560539922.pdb > /var/tmp/scwrl_1560539922.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1560539922.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 T0373 can't currently be optimized by undertaker # naming current conformation FUGMOD_TS5 # request to SCWRL produces command: ulimit -t 133 ; scwrl3 -i /var/tmp/to_scwrl_1719505149.pdb -s /var/tmp/to_scwrl_1719505149.seq -o /var/tmp/from_scwrl_1719505149.pdb > /var/tmp/scwrl_1719505149.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1719505149.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 Skipped atom 54, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL1.pdb.gz Skipped atom 56, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL1.pdb.gz Skipped atom 58, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL1.pdb.gz Skipped atom 60, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL1.pdb.gz Skipped atom 130, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL1.pdb.gz Skipped atom 132, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL1.pdb.gz Skipped atom 134, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL1.pdb.gz Skipped atom 136, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL1.pdb.gz Skipped atom 194, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL1.pdb.gz Skipped atom 196, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL1.pdb.gz Skipped atom 198, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL1.pdb.gz Skipped atom 200, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL1.pdb.gz Skipped atom 234, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL1.pdb.gz Skipped atom 236, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL1.pdb.gz Skipped atom 238, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL1.pdb.gz Skipped atom 240, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL1.pdb.gz Skipped atom 334, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL1.pdb.gz Skipped atom 336, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL1.pdb.gz Skipped atom 338, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL1.pdb.gz Skipped atom 340, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL1.pdb.gz Skipped atom 422, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL1.pdb.gz Skipped atom 424, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL1.pdb.gz Skipped atom 426, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL1.pdb.gz Skipped atom 428, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL1.pdb.gz Skipped atom 446, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL1.pdb.gz Skipped atom 448, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL1.pdb.gz Skipped atom 450, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL1.pdb.gz Skipped atom 452, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL1.pdb.gz Skipped atom 514, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL1.pdb.gz Skipped atom 516, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL1.pdb.gz Skipped atom 518, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL1.pdb.gz Skipped atom 520, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL1.pdb.gz # WARNING: incomplete conformation T0373 can't currently be optimized by undertaker # naming current conformation FUGUE_AL1 # request to SCWRL produces command: ulimit -t 133 ; scwrl3 -i /var/tmp/to_scwrl_11984892.pdb -s /var/tmp/to_scwrl_11984892.seq -o /var/tmp/from_scwrl_11984892.pdb > /var/tmp/scwrl_11984892.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_11984892.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 T0373 can't currently be optimized by undertaker # naming current conformation FUGUE_AL2 # request to SCWRL produces command: ulimit -t 133 ; scwrl3 -i /var/tmp/to_scwrl_2057186829.pdb -s /var/tmp/to_scwrl_2057186829.seq -o /var/tmp/from_scwrl_2057186829.pdb > /var/tmp/scwrl_2057186829.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2057186829.pdb # conformation set from SCWRL output # naming current conformation FUGUE_AL2-scwrl # ReadConformPDB reading from PDB file servers/FUGUE_AL3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0373 can't currently be optimized by undertaker # naming current conformation FUGUE_AL3 # request to SCWRL produces command: ulimit -t 133 ; scwrl3 -i /var/tmp/to_scwrl_1903029897.pdb -s /var/tmp/to_scwrl_1903029897.seq -o /var/tmp/from_scwrl_1903029897.pdb > /var/tmp/scwrl_1903029897.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1903029897.pdb # conformation set from SCWRL output # naming current conformation FUGUE_AL3-scwrl # ReadConformPDB reading from PDB file servers/FUGUE_AL4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0373 can't currently be optimized by undertaker # naming current conformation FUGUE_AL4 # request to SCWRL produces command: ulimit -t 133 ; scwrl3 -i /var/tmp/to_scwrl_1673460779.pdb -s /var/tmp/to_scwrl_1673460779.seq -o /var/tmp/from_scwrl_1673460779.pdb > /var/tmp/scwrl_1673460779.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1673460779.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 T0373 can't currently be optimized by undertaker # naming current conformation FUGUE_AL5 # request to SCWRL produces command: ulimit -t 133 ; scwrl3 -i /var/tmp/to_scwrl_1478328179.pdb -s /var/tmp/to_scwrl_1478328179.seq -o /var/tmp/from_scwrl_1478328179.pdb > /var/tmp/scwrl_1478328179.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1478328179.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 # Found a chain break before 146 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS1 # request to SCWRL produces command: ulimit -t 133 ; scwrl3 -i /var/tmp/to_scwrl_1090023738.pdb -s /var/tmp/to_scwrl_1090023738.seq -o /var/tmp/from_scwrl_1090023738.pdb > /var/tmp/scwrl_1090023738.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1090023738.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 143 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS2 # request to SCWRL produces command: ulimit -t 133 ; scwrl3 -i /var/tmp/to_scwrl_956573747.pdb -s /var/tmp/to_scwrl_956573747.seq -o /var/tmp/from_scwrl_956573747.pdb > /var/tmp/scwrl_956573747.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_956573747.pdb # conformation set from SCWRL output # naming current conformation FUNCTION_TS2-scwrl # ReadConformPDB reading from PDB file servers/FUNCTION_TS3.pdb.gz looking for model 1 # Found a chain break before 146 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS3 # request to SCWRL produces command: ulimit -t 133 ; scwrl3 -i /var/tmp/to_scwrl_383450211.pdb -s /var/tmp/to_scwrl_383450211.seq -o /var/tmp/from_scwrl_383450211.pdb > /var/tmp/scwrl_383450211.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_383450211.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 146 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS4 # request to SCWRL produces command: ulimit -t 133 ; scwrl3 -i /var/tmp/to_scwrl_98516744.pdb -s /var/tmp/to_scwrl_98516744.seq -o /var/tmp/from_scwrl_98516744.pdb > /var/tmp/scwrl_98516744.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_98516744.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 146 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS5 # request to SCWRL produces command: ulimit -t 133 ; scwrl3 -i /var/tmp/to_scwrl_389748225.pdb -s /var/tmp/to_scwrl_389748225.seq -o /var/tmp/from_scwrl_389748225.pdb > /var/tmp/scwrl_389748225.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_389748225.pdb # conformation set from SCWRL output # naming current conformation FUNCTION_TS5-scwrl # ReadConformPDB reading from PDB file servers/Frankenstein_TS1.pdb.gz looking for model 1 # Found a chain break before 88 # copying to AlignedFragments data structure # naming current conformation Frankenstein_TS1 # request to SCWRL produces command: ulimit -t 133 ; scwrl3 -i /var/tmp/to_scwrl_267334827.pdb -s /var/tmp/to_scwrl_267334827.seq -o /var/tmp/from_scwrl_267334827.pdb > /var/tmp/scwrl_267334827.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_267334827.pdb # conformation set from SCWRL output # naming current conformation Frankenstein_TS1-scwrl # ReadConformPDB reading from PDB file servers/Frankenstein_TS2.pdb.gz looking for model 1 # Found a chain break before 31 # copying to AlignedFragments data structure # naming current conformation Frankenstein_TS2 # request to SCWRL produces command: ulimit -t 133 ; scwrl3 -i /var/tmp/to_scwrl_128172671.pdb -s /var/tmp/to_scwrl_128172671.seq -o /var/tmp/from_scwrl_128172671.pdb > /var/tmp/scwrl_128172671.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_128172671.pdb # conformation set from SCWRL output # naming current conformation Frankenstein_TS2-scwrl # ReadConformPDB reading from PDB file servers/Frankenstein_TS3.pdb.gz looking for model 1 # naming current conformation Frankenstein_TS3 # request to SCWRL produces command: ulimit -t 133 ; scwrl3 -i /var/tmp/to_scwrl_884591079.pdb -s /var/tmp/to_scwrl_884591079.seq -o /var/tmp/from_scwrl_884591079.pdb > /var/tmp/scwrl_884591079.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_884591079.pdb # conformation set from SCWRL output # naming current conformation Frankenstein_TS3-scwrl # ReadConformPDB reading from PDB file servers/Frankenstein_TS4.pdb.gz looking for model 1 # Found a chain break before 122 # copying to AlignedFragments data structure # naming current conformation Frankenstein_TS4 # request to SCWRL produces command: ulimit -t 133 ; scwrl3 -i /var/tmp/to_scwrl_2142046784.pdb -s /var/tmp/to_scwrl_2142046784.seq -o /var/tmp/from_scwrl_2142046784.pdb > /var/tmp/scwrl_2142046784.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2142046784.pdb # conformation set from SCWRL output # naming current conformation Frankenstein_TS4-scwrl # ReadConformPDB reading from PDB file servers/Frankenstein_TS5.pdb.gz looking for model 1 # Found a chain break before 83 # copying to AlignedFragments data structure # naming current conformation Frankenstein_TS5 # request to SCWRL produces command: ulimit -t 133 ; scwrl3 -i /var/tmp/to_scwrl_1751462927.pdb -s /var/tmp/to_scwrl_1751462927.seq -o /var/tmp/from_scwrl_1751462927.pdb > /var/tmp/scwrl_1751462927.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1751462927.pdb # conformation set from SCWRL output # naming current conformation Frankenstein_TS5-scwrl # ReadConformPDB reading from PDB file servers/GeneSilicoMetaServer_TS1.pdb.gz looking for model 1 # naming current conformation GeneSilicoMetaServer_TS1 # request to SCWRL produces command: ulimit -t 133 ; scwrl3 -i /var/tmp/to_scwrl_1518537804.pdb -s /var/tmp/to_scwrl_1518537804.seq -o /var/tmp/from_scwrl_1518537804.pdb > /var/tmp/scwrl_1518537804.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1518537804.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 T0373 can't currently be optimized by undertaker # naming current conformation GeneSilicoMetaServer_TS2 # request to SCWRL produces command: ulimit -t 133 ; scwrl3 -i /var/tmp/to_scwrl_537695877.pdb -s /var/tmp/to_scwrl_537695877.seq -o /var/tmp/from_scwrl_537695877.pdb > /var/tmp/scwrl_537695877.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_537695877.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 T0373 can't currently be optimized by undertaker # naming current conformation GeneSilicoMetaServer_TS3 # request to SCWRL produces command: ulimit -t 133 ; scwrl3 -i /var/tmp/to_scwrl_151019529.pdb -s /var/tmp/to_scwrl_151019529.seq -o /var/tmp/from_scwrl_151019529.pdb > /var/tmp/scwrl_151019529.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_151019529.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 # WARNING: incomplete conformation T0373 can't currently be optimized by undertaker # naming current conformation GeneSilicoMetaServer_TS4 # request to SCWRL produces command: ulimit -t 133 ; scwrl3 -i /var/tmp/to_scwrl_322020204.pdb -s /var/tmp/to_scwrl_322020204.seq -o /var/tmp/from_scwrl_322020204.pdb > /var/tmp/scwrl_322020204.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_322020204.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 T0373 can't currently be optimized by undertaker # naming current conformation GeneSilicoMetaServer_TS5 # request to SCWRL produces command: ulimit -t 133 ; scwrl3 -i /var/tmp/to_scwrl_1111138655.pdb -s /var/tmp/to_scwrl_1111138655.seq -o /var/tmp/from_scwrl_1111138655.pdb > /var/tmp/scwrl_1111138655.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1111138655.pdb # conformation set from SCWRL output # naming current conformation GeneSilicoMetaServer_TS5-scwrl # ReadConformPDB reading from PDB file servers/HHpred1_TS1.pdb.gz looking for model 1 # Found a chain break before 31 # copying to AlignedFragments data structure # naming current conformation HHpred1_TS1 # request to SCWRL produces command: ulimit -t 133 ; scwrl3 -i /var/tmp/to_scwrl_1676264454.pdb -s /var/tmp/to_scwrl_1676264454.seq -o /var/tmp/from_scwrl_1676264454.pdb > /var/tmp/scwrl_1676264454.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1676264454.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 133 ; scwrl3 -i /var/tmp/to_scwrl_164148333.pdb -s /var/tmp/to_scwrl_164148333.seq -o /var/tmp/from_scwrl_164148333.pdb > /var/tmp/scwrl_164148333.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_164148333.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 133 ; scwrl3 -i /var/tmp/to_scwrl_1019261170.pdb -s /var/tmp/to_scwrl_1019261170.seq -o /var/tmp/from_scwrl_1019261170.pdb > /var/tmp/scwrl_1019261170.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1019261170.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 T0373 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS1 # request to SCWRL produces command: ulimit -t 133 ; scwrl3 -i /var/tmp/to_scwrl_806760216.pdb -s /var/tmp/to_scwrl_806760216.seq -o /var/tmp/from_scwrl_806760216.pdb > /var/tmp/scwrl_806760216.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_806760216.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 T0373 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS2 # request to SCWRL produces command: ulimit -t 133 ; scwrl3 -i /var/tmp/to_scwrl_1610425024.pdb -s /var/tmp/to_scwrl_1610425024.seq -o /var/tmp/from_scwrl_1610425024.pdb > /var/tmp/scwrl_1610425024.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1610425024.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 T0373 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS3 # request to SCWRL produces command: ulimit -t 133 ; scwrl3 -i /var/tmp/to_scwrl_357258492.pdb -s /var/tmp/to_scwrl_357258492.seq -o /var/tmp/from_scwrl_357258492.pdb > /var/tmp/scwrl_357258492.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_357258492.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 T0373 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS4 # request to SCWRL produces command: ulimit -t 133 ; scwrl3 -i /var/tmp/to_scwrl_1205937136.pdb -s /var/tmp/to_scwrl_1205937136.seq -o /var/tmp/from_scwrl_1205937136.pdb > /var/tmp/scwrl_1205937136.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1205937136.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 T0373 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS5 # request to SCWRL produces command: ulimit -t 133 ; scwrl3 -i /var/tmp/to_scwrl_977217456.pdb -s /var/tmp/to_scwrl_977217456.seq -o /var/tmp/from_scwrl_977217456.pdb > /var/tmp/scwrl_977217456.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_977217456.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 T0373 can't currently be optimized by undertaker # naming current conformation LOOPP_TS1 # request to SCWRL produces command: ulimit -t 133 ; scwrl3 -i /var/tmp/to_scwrl_359193665.pdb -s /var/tmp/to_scwrl_359193665.seq -o /var/tmp/from_scwrl_359193665.pdb > /var/tmp/scwrl_359193665.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_359193665.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 T0373 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation LOOPP_TS2 # request to SCWRL produces command: ulimit -t 133 ; scwrl3 -i /var/tmp/to_scwrl_618993412.pdb -s /var/tmp/to_scwrl_618993412.seq -o /var/tmp/from_scwrl_618993412.pdb > /var/tmp/scwrl_618993412.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_618993412.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 T0373 can't currently be optimized by undertaker # naming current conformation LOOPP_TS3 # request to SCWRL produces command: ulimit -t 133 ; scwrl3 -i /var/tmp/to_scwrl_549238958.pdb -s /var/tmp/to_scwrl_549238958.seq -o /var/tmp/from_scwrl_549238958.pdb > /var/tmp/scwrl_549238958.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_549238958.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 T0373 can't currently be optimized by undertaker # naming current conformation LOOPP_TS4 # request to SCWRL produces command: ulimit -t 133 ; scwrl3 -i /var/tmp/to_scwrl_371178557.pdb -s /var/tmp/to_scwrl_371178557.seq -o /var/tmp/from_scwrl_371178557.pdb > /var/tmp/scwrl_371178557.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_371178557.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 T0373 can't currently be optimized by undertaker # naming current conformation LOOPP_TS5 # request to SCWRL produces command: ulimit -t 133 ; scwrl3 -i /var/tmp/to_scwrl_528696594.pdb -s /var/tmp/to_scwrl_528696594.seq -o /var/tmp/from_scwrl_528696594.pdb > /var/tmp/scwrl_528696594.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_528696594.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 # WARNING: incomplete conformation T0373 can't currently be optimized by undertaker # naming current conformation MIG_FROST_AL1 # request to SCWRL produces command: ulimit -t 133 ; scwrl3 -i /var/tmp/to_scwrl_304785208.pdb -s /var/tmp/to_scwrl_304785208.seq -o /var/tmp/from_scwrl_304785208.pdb > /var/tmp/scwrl_304785208.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_304785208.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 31 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server2_TS1 # request to SCWRL produces command: ulimit -t 133 ; scwrl3 -i /var/tmp/to_scwrl_2044639336.pdb -s /var/tmp/to_scwrl_2044639336.seq -o /var/tmp/from_scwrl_2044639336.pdb > /var/tmp/scwrl_2044639336.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2044639336.pdb # conformation set from SCWRL output # naming current conformation Ma-OPUS-server2_TS1-scwrl # ReadConformPDB reading from PDB file servers/Ma-OPUS-server2_TS2.pdb.gz looking for model 1 # naming current conformation Ma-OPUS-server2_TS2 # request to SCWRL produces command: ulimit -t 133 ; scwrl3 -i /var/tmp/to_scwrl_2007024773.pdb -s /var/tmp/to_scwrl_2007024773.seq -o /var/tmp/from_scwrl_2007024773.pdb > /var/tmp/scwrl_2007024773.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2007024773.pdb # conformation set from SCWRL output # naming current conformation Ma-OPUS-server2_TS2-scwrl # ReadConformPDB reading from PDB file servers/Ma-OPUS-server2_TS3.pdb.gz looking for model 1 # Found a chain break before 122 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server2_TS3 # request to SCWRL produces command: ulimit -t 133 ; scwrl3 -i /var/tmp/to_scwrl_1394808946.pdb -s /var/tmp/to_scwrl_1394808946.seq -o /var/tmp/from_scwrl_1394808946.pdb > /var/tmp/scwrl_1394808946.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1394808946.pdb # conformation set from SCWRL output # naming current conformation Ma-OPUS-server2_TS3-scwrl # ReadConformPDB reading from PDB file servers/Ma-OPUS-server2_TS4.pdb.gz looking for model 1 # Found a chain break before 31 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server2_TS4 # request to SCWRL produces command: ulimit -t 133 ; scwrl3 -i /var/tmp/to_scwrl_853729436.pdb -s /var/tmp/to_scwrl_853729436.seq -o /var/tmp/from_scwrl_853729436.pdb > /var/tmp/scwrl_853729436.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_853729436.pdb # conformation set from SCWRL output # naming current conformation Ma-OPUS-server2_TS4-scwrl # ReadConformPDB reading from PDB file servers/Ma-OPUS-server2_TS5.pdb.gz looking for model 1 # Found a chain break before 31 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server2_TS5 # request to SCWRL produces command: ulimit -t 133 ; scwrl3 -i /var/tmp/to_scwrl_242991337.pdb -s /var/tmp/to_scwrl_242991337.seq -o /var/tmp/from_scwrl_242991337.pdb > /var/tmp/scwrl_242991337.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_242991337.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 # naming current conformation Ma-OPUS-server_TS1 # request to SCWRL produces command: ulimit -t 133 ; scwrl3 -i /var/tmp/to_scwrl_1493325691.pdb -s /var/tmp/to_scwrl_1493325691.seq -o /var/tmp/from_scwrl_1493325691.pdb > /var/tmp/scwrl_1493325691.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1493325691.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 31 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS2 # request to SCWRL produces command: ulimit -t 133 ; scwrl3 -i /var/tmp/to_scwrl_1243477661.pdb -s /var/tmp/to_scwrl_1243477661.seq -o /var/tmp/from_scwrl_1243477661.pdb > /var/tmp/scwrl_1243477661.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1243477661.pdb # conformation set from SCWRL output # naming current conformation Ma-OPUS-server_TS2-scwrl # ReadConformPDB reading from PDB file servers/Ma-OPUS-server_TS3.pdb.gz looking for model 1 # Found a chain break before 122 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS3 # request to SCWRL produces command: ulimit -t 133 ; scwrl3 -i /var/tmp/to_scwrl_510326165.pdb -s /var/tmp/to_scwrl_510326165.seq -o /var/tmp/from_scwrl_510326165.pdb > /var/tmp/scwrl_510326165.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_510326165.pdb # conformation set from SCWRL output # naming current conformation Ma-OPUS-server_TS3-scwrl # ReadConformPDB reading from PDB file servers/Ma-OPUS-server_TS4.pdb.gz looking for model 1 # Found a chain break before 122 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS4 # request to SCWRL produces command: ulimit -t 133 ; scwrl3 -i /var/tmp/to_scwrl_1621498362.pdb -s /var/tmp/to_scwrl_1621498362.seq -o /var/tmp/from_scwrl_1621498362.pdb > /var/tmp/scwrl_1621498362.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1621498362.pdb # conformation set from SCWRL output # naming current conformation Ma-OPUS-server_TS4-scwrl # ReadConformPDB reading from PDB file servers/Ma-OPUS-server_TS5.pdb.gz looking for model 1 # Found a chain break before 31 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS5 # request to SCWRL produces command: ulimit -t 133 ; scwrl3 -i /var/tmp/to_scwrl_2128068740.pdb -s /var/tmp/to_scwrl_2128068740.seq -o /var/tmp/from_scwrl_2128068740.pdb > /var/tmp/scwrl_2128068740.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2128068740.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 95 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS1 # request to SCWRL produces command: ulimit -t 133 ; scwrl3 -i /var/tmp/to_scwrl_504889302.pdb -s /var/tmp/to_scwrl_504889302.seq -o /var/tmp/from_scwrl_504889302.pdb > /var/tmp/scwrl_504889302.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_504889302.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 95 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS2 # request to SCWRL produces command: ulimit -t 133 ; scwrl3 -i /var/tmp/to_scwrl_1225477642.pdb -s /var/tmp/to_scwrl_1225477642.seq -o /var/tmp/from_scwrl_1225477642.pdb > /var/tmp/scwrl_1225477642.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1225477642.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 95 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS3 # request to SCWRL produces command: ulimit -t 133 ; scwrl3 -i /var/tmp/to_scwrl_1499122897.pdb -s /var/tmp/to_scwrl_1499122897.seq -o /var/tmp/from_scwrl_1499122897.pdb > /var/tmp/scwrl_1499122897.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1499122897.pdb # conformation set from SCWRL output # naming current conformation MetaTasser_TS3-scwrl # ReadConformPDB reading from PDB file servers/NN_PUT_lab_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0373 can't currently be optimized by undertaker # naming current conformation NN_PUT_lab_TS1 # request to SCWRL produces command: ulimit -t 133 ; scwrl3 -i /var/tmp/to_scwrl_1042585179.pdb -s /var/tmp/to_scwrl_1042585179.seq -o /var/tmp/from_scwrl_1042585179.pdb > /var/tmp/scwrl_1042585179.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1042585179.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 # WARNING: incomplete conformation T0373 can't currently be optimized by undertaker # naming current conformation POMYSL_TS1 # request to SCWRL produces command: ulimit -t 133 ; scwrl3 -i /var/tmp/to_scwrl_1376497171.pdb -s /var/tmp/to_scwrl_1376497171.seq -o /var/tmp/from_scwrl_1376497171.pdb > /var/tmp/scwrl_1376497171.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1376497171.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 # WARNING: incomplete conformation T0373 can't currently be optimized by undertaker # naming current conformation POMYSL_TS2 # request to SCWRL produces command: ulimit -t 133 ; scwrl3 -i /var/tmp/to_scwrl_1821143102.pdb -s /var/tmp/to_scwrl_1821143102.seq -o /var/tmp/from_scwrl_1821143102.pdb > /var/tmp/scwrl_1821143102.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1821143102.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 # WARNING: incomplete conformation T0373 can't currently be optimized by undertaker # naming current conformation POMYSL_TS3 # request to SCWRL produces command: ulimit -t 133 ; scwrl3 -i /var/tmp/to_scwrl_6240188.pdb -s /var/tmp/to_scwrl_6240188.seq -o /var/tmp/from_scwrl_6240188.pdb > /var/tmp/scwrl_6240188.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_6240188.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 # WARNING: incomplete conformation T0373 can't currently be optimized by undertaker # naming current conformation POMYSL_TS4 # request to SCWRL produces command: ulimit -t 133 ; scwrl3 -i /var/tmp/to_scwrl_905277979.pdb -s /var/tmp/to_scwrl_905277979.seq -o /var/tmp/from_scwrl_905277979.pdb > /var/tmp/scwrl_905277979.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_905277979.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 # WARNING: incomplete conformation T0373 can't currently be optimized by undertaker # naming current conformation POMYSL_TS5 # request to SCWRL produces command: ulimit -t 133 ; scwrl3 -i /var/tmp/to_scwrl_1985291435.pdb -s /var/tmp/to_scwrl_1985291435.seq -o /var/tmp/from_scwrl_1985291435.pdb > /var/tmp/scwrl_1985291435.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1985291435.pdb # conformation set from SCWRL output # naming current conformation POMYSL_TS5-scwrl # ReadConformPDB reading from PDB file servers/PROTINFO_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0373 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation PROTINFO_TS1 # request to SCWRL produces command: ulimit -t 133 ; scwrl3 -i /var/tmp/to_scwrl_1025501358.pdb -s /var/tmp/to_scwrl_1025501358.seq -o /var/tmp/from_scwrl_1025501358.pdb > /var/tmp/scwrl_1025501358.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1025501358.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 # WARNING: incomplete conformation T0373 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation PROTINFO_TS2 # request to SCWRL produces command: ulimit -t 133 ; scwrl3 -i /var/tmp/to_scwrl_1712038194.pdb -s /var/tmp/to_scwrl_1712038194.seq -o /var/tmp/from_scwrl_1712038194.pdb > /var/tmp/scwrl_1712038194.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1712038194.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 # WARNING: incomplete conformation T0373 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation PROTINFO_TS3 # request to SCWRL produces command: ulimit -t 133 ; scwrl3 -i /var/tmp/to_scwrl_1448232812.pdb -s /var/tmp/to_scwrl_1448232812.seq -o /var/tmp/from_scwrl_1448232812.pdb > /var/tmp/scwrl_1448232812.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1448232812.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 T0373 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation PROTINFO_TS4 # request to SCWRL produces command: ulimit -t 133 ; scwrl3 -i /var/tmp/to_scwrl_1382759850.pdb -s /var/tmp/to_scwrl_1382759850.seq -o /var/tmp/from_scwrl_1382759850.pdb > /var/tmp/scwrl_1382759850.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1382759850.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 T0373 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation PROTINFO_TS5 # request to SCWRL produces command: ulimit -t 133 ; scwrl3 -i /var/tmp/to_scwrl_770491684.pdb -s /var/tmp/to_scwrl_770491684.seq -o /var/tmp/from_scwrl_770491684.pdb > /var/tmp/scwrl_770491684.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_770491684.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 T0373 can't currently be optimized by undertaker # naming current conformation Pcons6_TS1 # request to SCWRL produces command: ulimit -t 133 ; scwrl3 -i /var/tmp/to_scwrl_277966621.pdb -s /var/tmp/to_scwrl_277966621.seq -o /var/tmp/from_scwrl_277966621.pdb > /var/tmp/scwrl_277966621.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_277966621.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 T0373 can't currently be optimized by undertaker # naming current conformation Pcons6_TS2 # request to SCWRL produces command: ulimit -t 133 ; scwrl3 -i /var/tmp/to_scwrl_1741953515.pdb -s /var/tmp/to_scwrl_1741953515.seq -o /var/tmp/from_scwrl_1741953515.pdb > /var/tmp/scwrl_1741953515.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1741953515.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 T0373 can't currently be optimized by undertaker # naming current conformation Pcons6_TS3 # request to SCWRL produces command: ulimit -t 133 ; scwrl3 -i /var/tmp/to_scwrl_1389485095.pdb -s /var/tmp/to_scwrl_1389485095.seq -o /var/tmp/from_scwrl_1389485095.pdb > /var/tmp/scwrl_1389485095.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1389485095.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 T0373 can't currently be optimized by undertaker # naming current conformation Pcons6_TS4 # request to SCWRL produces command: ulimit -t 133 ; scwrl3 -i /var/tmp/to_scwrl_827205579.pdb -s /var/tmp/to_scwrl_827205579.seq -o /var/tmp/from_scwrl_827205579.pdb > /var/tmp/scwrl_827205579.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_827205579.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 T0373 can't currently be optimized by undertaker # naming current conformation Pcons6_TS5 # request to SCWRL produces command: ulimit -t 133 ; scwrl3 -i /var/tmp/to_scwrl_2113132073.pdb -s /var/tmp/to_scwrl_2113132073.seq -o /var/tmp/from_scwrl_2113132073.pdb > /var/tmp/scwrl_2113132073.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2113132073.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 T0373 can't currently be optimized by undertaker # naming current conformation Phyre-1_TS1 # request to SCWRL produces command: ulimit -t 133 ; scwrl3 -i /var/tmp/to_scwrl_1918181689.pdb -s /var/tmp/to_scwrl_1918181689.seq -o /var/tmp/from_scwrl_1918181689.pdb > /var/tmp/scwrl_1918181689.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1918181689.pdb # conformation set from SCWRL output # naming current conformation Phyre-1_TS1-scwrl # ReadConformPDB reading from PDB file servers/Phyre-2_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0373 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation Phyre-2_TS1 # request to SCWRL produces command: ulimit -t 133 ; scwrl3 -i /var/tmp/to_scwrl_1131990787.pdb -s /var/tmp/to_scwrl_1131990787.seq -o /var/tmp/from_scwrl_1131990787.pdb > /var/tmp/scwrl_1131990787.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1131990787.pdb # conformation set from SCWRL output # naming current conformation Phyre-2_TS1-scwrl # ReadConformPDB reading from PDB file servers/Phyre-2_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0373 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation Phyre-2_TS2 # request to SCWRL produces command: ulimit -t 133 ; scwrl3 -i /var/tmp/to_scwrl_2010287762.pdb -s /var/tmp/to_scwrl_2010287762.seq -o /var/tmp/from_scwrl_2010287762.pdb > /var/tmp/scwrl_2010287762.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2010287762.pdb # conformation set from SCWRL output # naming current conformation Phyre-2_TS2-scwrl # ReadConformPDB reading from PDB file servers/Phyre-2_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0373 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation Phyre-2_TS3 # request to SCWRL produces command: ulimit -t 133 ; scwrl3 -i /var/tmp/to_scwrl_1777722815.pdb -s /var/tmp/to_scwrl_1777722815.seq -o /var/tmp/from_scwrl_1777722815.pdb > /var/tmp/scwrl_1777722815.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1777722815.pdb # conformation set from SCWRL output # naming current conformation Phyre-2_TS3-scwrl # ReadConformPDB reading from PDB file servers/Phyre-2_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0373 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation Phyre-2_TS4 # request to SCWRL produces command: ulimit -t 133 ; scwrl3 -i /var/tmp/to_scwrl_379316087.pdb -s /var/tmp/to_scwrl_379316087.seq -o /var/tmp/from_scwrl_379316087.pdb > /var/tmp/scwrl_379316087.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_379316087.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 T0373 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 133 ; scwrl3 -i /var/tmp/to_scwrl_716533552.pdb -s /var/tmp/to_scwrl_716533552.seq -o /var/tmp/from_scwrl_716533552.pdb > /var/tmp/scwrl_716533552.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_716533552.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 T0373 can't currently be optimized by undertaker # naming current conformation Pmodeller6_TS1 # request to SCWRL produces command: ulimit -t 133 ; scwrl3 -i /var/tmp/to_scwrl_2020714153.pdb -s /var/tmp/to_scwrl_2020714153.seq -o /var/tmp/from_scwrl_2020714153.pdb > /var/tmp/scwrl_2020714153.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2020714153.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 51 # copying to AlignedFragments data structure # naming current conformation Pmodeller6_TS2 # request to SCWRL produces command: ulimit -t 133 ; scwrl3 -i /var/tmp/to_scwrl_1872641778.pdb -s /var/tmp/to_scwrl_1872641778.seq -o /var/tmp/from_scwrl_1872641778.pdb > /var/tmp/scwrl_1872641778.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1872641778.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 T0373 can't currently be optimized by undertaker # naming current conformation Pmodeller6_TS3 # request to SCWRL produces command: ulimit -t 133 ; scwrl3 -i /var/tmp/to_scwrl_1960011213.pdb -s /var/tmp/to_scwrl_1960011213.seq -o /var/tmp/from_scwrl_1960011213.pdb > /var/tmp/scwrl_1960011213.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1960011213.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 # Found a chain break before 46 # copying to AlignedFragments data structure # naming current conformation Pmodeller6_TS4 # request to SCWRL produces command: ulimit -t 133 ; scwrl3 -i /var/tmp/to_scwrl_383556671.pdb -s /var/tmp/to_scwrl_383556671.seq -o /var/tmp/from_scwrl_383556671.pdb > /var/tmp/scwrl_383556671.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_383556671.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 T0373 can't currently be optimized by undertaker # naming current conformation Pmodeller6_TS5 # request to SCWRL produces command: ulimit -t 133 ; scwrl3 -i /var/tmp/to_scwrl_1346656493.pdb -s /var/tmp/to_scwrl_1346656493.seq -o /var/tmp/from_scwrl_1346656493.pdb > /var/tmp/scwrl_1346656493.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1346656493.pdb # conformation set from SCWRL output # naming current conformation Pmodeller6_TS5-scwrl # ReadConformPDB reading from PDB file servers/RAPTOR-ACE_TS1.pdb.gz looking for model 1 # Found a chain break before 140 # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS1 # request to SCWRL produces command: ulimit -t 133 ; scwrl3 -i /var/tmp/to_scwrl_1940596306.pdb -s /var/tmp/to_scwrl_1940596306.seq -o /var/tmp/from_scwrl_1940596306.pdb > /var/tmp/scwrl_1940596306.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1940596306.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 133 ; scwrl3 -i /var/tmp/to_scwrl_888445973.pdb -s /var/tmp/to_scwrl_888445973.seq -o /var/tmp/from_scwrl_888445973.pdb > /var/tmp/scwrl_888445973.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_888445973.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 88 # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS3 # request to SCWRL produces command: ulimit -t 133 ; scwrl3 -i /var/tmp/to_scwrl_424650490.pdb -s /var/tmp/to_scwrl_424650490.seq -o /var/tmp/from_scwrl_424650490.pdb > /var/tmp/scwrl_424650490.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_424650490.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 133 ; scwrl3 -i /var/tmp/to_scwrl_1292235557.pdb -s /var/tmp/to_scwrl_1292235557.seq -o /var/tmp/from_scwrl_1292235557.pdb > /var/tmp/scwrl_1292235557.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1292235557.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 60 # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS5 # request to SCWRL produces command: ulimit -t 133 ; scwrl3 -i /var/tmp/to_scwrl_1931031152.pdb -s /var/tmp/to_scwrl_1931031152.seq -o /var/tmp/from_scwrl_1931031152.pdb > /var/tmp/scwrl_1931031152.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1931031152.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 145 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS1 # request to SCWRL produces command: ulimit -t 133 ; scwrl3 -i /var/tmp/to_scwrl_1801147661.pdb -s /var/tmp/to_scwrl_1801147661.seq -o /var/tmp/from_scwrl_1801147661.pdb > /var/tmp/scwrl_1801147661.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1801147661.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 # naming current conformation RAPTORESS_TS2 # request to SCWRL produces command: ulimit -t 133 ; scwrl3 -i /var/tmp/to_scwrl_965895013.pdb -s /var/tmp/to_scwrl_965895013.seq -o /var/tmp/from_scwrl_965895013.pdb > /var/tmp/scwrl_965895013.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_965895013.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 31 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS3 # request to SCWRL produces command: ulimit -t 133 ; scwrl3 -i /var/tmp/to_scwrl_1937271340.pdb -s /var/tmp/to_scwrl_1937271340.seq -o /var/tmp/from_scwrl_1937271340.pdb > /var/tmp/scwrl_1937271340.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1937271340.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 31 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS4 # request to SCWRL produces command: ulimit -t 133 ; scwrl3 -i /var/tmp/to_scwrl_558941994.pdb -s /var/tmp/to_scwrl_558941994.seq -o /var/tmp/from_scwrl_558941994.pdb > /var/tmp/scwrl_558941994.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_558941994.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 2 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS5 # request to SCWRL produces command: ulimit -t 133 ; scwrl3 -i /var/tmp/to_scwrl_803702801.pdb -s /var/tmp/to_scwrl_803702801.seq -o /var/tmp/from_scwrl_803702801.pdb > /var/tmp/scwrl_803702801.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_803702801.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 133 ; scwrl3 -i /var/tmp/to_scwrl_815289051.pdb -s /var/tmp/to_scwrl_815289051.seq -o /var/tmp/from_scwrl_815289051.pdb > /var/tmp/scwrl_815289051.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_815289051.pdb # conformation set from SCWRL output # naming current conformation RAPTOR_TS1-scwrl # ReadConformPDB reading from PDB file servers/RAPTOR_TS2.pdb.gz looking for model 1 # Found a chain break before 122 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS2 # request to SCWRL produces command: ulimit -t 133 ; scwrl3 -i /var/tmp/to_scwrl_123496541.pdb -s /var/tmp/to_scwrl_123496541.seq -o /var/tmp/from_scwrl_123496541.pdb > /var/tmp/scwrl_123496541.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_123496541.pdb # conformation set from SCWRL output # naming current conformation RAPTOR_TS2-scwrl # ReadConformPDB reading from PDB file servers/RAPTOR_TS3.pdb.gz looking for model 1 # Found a chain break before 31 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS3 # request to SCWRL produces command: ulimit -t 133 ; scwrl3 -i /var/tmp/to_scwrl_104451967.pdb -s /var/tmp/to_scwrl_104451967.seq -o /var/tmp/from_scwrl_104451967.pdb > /var/tmp/scwrl_104451967.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_104451967.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 31 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS4 # request to SCWRL produces command: ulimit -t 133 ; scwrl3 -i /var/tmp/to_scwrl_50565254.pdb -s /var/tmp/to_scwrl_50565254.seq -o /var/tmp/from_scwrl_50565254.pdb > /var/tmp/scwrl_50565254.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_50565254.pdb # conformation set from SCWRL output # naming current conformation RAPTOR_TS4-scwrl # ReadConformPDB reading from PDB file servers/RAPTOR_TS5.pdb.gz looking for model 1 # Found a chain break before 105 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS5 # request to SCWRL produces command: ulimit -t 133 ; scwrl3 -i /var/tmp/to_scwrl_893988226.pdb -s /var/tmp/to_scwrl_893988226.seq -o /var/tmp/from_scwrl_893988226.pdb > /var/tmp/scwrl_893988226.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_893988226.pdb # conformation set from SCWRL output # naming current conformation RAPTOR_TS5-scwrl # ReadConformPDB reading from PDB file servers/ROBETTA_TS1.pdb.gz looking for model 1 # Found a chain break before 121 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS1 # request to SCWRL produces command: ulimit -t 133 ; scwrl3 -i /var/tmp/to_scwrl_382418588.pdb -s /var/tmp/to_scwrl_382418588.seq -o /var/tmp/from_scwrl_382418588.pdb > /var/tmp/scwrl_382418588.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_382418588.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 123 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS2 # request to SCWRL produces command: ulimit -t 133 ; scwrl3 -i /var/tmp/to_scwrl_1792518770.pdb -s /var/tmp/to_scwrl_1792518770.seq -o /var/tmp/from_scwrl_1792518770.pdb > /var/tmp/scwrl_1792518770.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1792518770.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 51 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS3 # request to SCWRL produces command: ulimit -t 133 ; scwrl3 -i /var/tmp/to_scwrl_135989674.pdb -s /var/tmp/to_scwrl_135989674.seq -o /var/tmp/from_scwrl_135989674.pdb > /var/tmp/scwrl_135989674.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_135989674.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 119 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS4 # request to SCWRL produces command: ulimit -t 133 ; scwrl3 -i /var/tmp/to_scwrl_1209624167.pdb -s /var/tmp/to_scwrl_1209624167.seq -o /var/tmp/from_scwrl_1209624167.pdb > /var/tmp/scwrl_1209624167.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1209624167.pdb # conformation set from SCWRL output # naming current conformation ROBETTA_TS4-scwrl # ReadConformPDB reading from PDB file servers/ROBETTA_TS5.pdb.gz looking for model 1 # Found a chain break before 46 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS5 # request to SCWRL produces command: ulimit -t 133 ; scwrl3 -i /var/tmp/to_scwrl_1758167196.pdb -s /var/tmp/to_scwrl_1758167196.seq -o /var/tmp/from_scwrl_1758167196.pdb > /var/tmp/scwrl_1758167196.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1758167196.pdb # conformation set from SCWRL output # naming current conformation ROBETTA_TS5-scwrl # ReadConformPDB reading from PDB file servers/ROKKY_TS1.pdb.gz looking for model 1 # Found a chain break before 43 # copying to AlignedFragments data structure # naming current conformation ROKKY_TS1 # request to SCWRL produces command: ulimit -t 133 ; scwrl3 -i /var/tmp/to_scwrl_2054171364.pdb -s /var/tmp/to_scwrl_2054171364.seq -o /var/tmp/from_scwrl_2054171364.pdb > /var/tmp/scwrl_2054171364.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2054171364.pdb # conformation set from SCWRL output # naming current conformation ROKKY_TS1-scwrl # ReadConformPDB reading from PDB file servers/ROKKY_TS2.pdb.gz looking for model 1 # Found a chain break before 49 # copying to AlignedFragments data structure # naming current conformation ROKKY_TS2 # request to SCWRL produces command: ulimit -t 133 ; scwrl3 -i /var/tmp/to_scwrl_194131308.pdb -s /var/tmp/to_scwrl_194131308.seq -o /var/tmp/from_scwrl_194131308.pdb > /var/tmp/scwrl_194131308.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_194131308.pdb # conformation set from SCWRL output # naming current conformation ROKKY_TS2-scwrl # ReadConformPDB reading from PDB file servers/ROKKY_TS3.pdb.gz looking for model 1 # naming current conformation ROKKY_TS3 # request to SCWRL produces command: ulimit -t 133 ; scwrl3 -i /var/tmp/to_scwrl_1620971311.pdb -s /var/tmp/to_scwrl_1620971311.seq -o /var/tmp/from_scwrl_1620971311.pdb > /var/tmp/scwrl_1620971311.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1620971311.pdb # conformation set from SCWRL output # naming current conformation ROKKY_TS3-scwrl # ReadConformPDB reading from PDB file servers/ROKKY_TS4.pdb.gz looking for model 1 # naming current conformation ROKKY_TS4 # request to SCWRL produces command: ulimit -t 133 ; scwrl3 -i /var/tmp/to_scwrl_1684410532.pdb -s /var/tmp/to_scwrl_1684410532.seq -o /var/tmp/from_scwrl_1684410532.pdb > /var/tmp/scwrl_1684410532.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1684410532.pdb # conformation set from SCWRL output # naming current conformation ROKKY_TS4-scwrl # ReadConformPDB reading from PDB file servers/ROKKY_TS5.pdb.gz looking for model 1 # Found a chain break before 32 # copying to AlignedFragments data structure # naming current conformation ROKKY_TS5 # request to SCWRL produces command: ulimit -t 133 ; scwrl3 -i /var/tmp/to_scwrl_573447395.pdb -s /var/tmp/to_scwrl_573447395.seq -o /var/tmp/from_scwrl_573447395.pdb > /var/tmp/scwrl_573447395.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_573447395.pdb # conformation set from SCWRL output # naming current conformation ROKKY_TS5-scwrl # ReadConformPDB reading from PDB file servers/SAM-T02_AL1.pdb.gz looking for model 1 Skipped atom 326, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 328, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 330, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 332, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 446, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 448, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 450, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 452, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 526, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 528, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 530, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 532, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz # WARNING: incomplete conformation T0373 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL1 # request to SCWRL produces command: ulimit -t 133 ; scwrl3 -i /var/tmp/to_scwrl_190021216.pdb -s /var/tmp/to_scwrl_190021216.seq -o /var/tmp/from_scwrl_190021216.pdb > /var/tmp/scwrl_190021216.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_190021216.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 Skipped atom 54, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL2.pdb.gz Skipped atom 56, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL2.pdb.gz Skipped atom 58, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL2.pdb.gz Skipped atom 60, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL2.pdb.gz Skipped atom 130, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL2.pdb.gz Skipped atom 132, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL2.pdb.gz Skipped atom 134, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL2.pdb.gz Skipped atom 136, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL2.pdb.gz Skipped atom 194, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL2.pdb.gz Skipped atom 196, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL2.pdb.gz Skipped atom 198, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL2.pdb.gz Skipped atom 200, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL2.pdb.gz Skipped atom 234, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL2.pdb.gz Skipped atom 236, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL2.pdb.gz Skipped atom 238, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL2.pdb.gz Skipped atom 240, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL2.pdb.gz Skipped atom 334, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL2.pdb.gz Skipped atom 336, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL2.pdb.gz Skipped atom 338, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL2.pdb.gz Skipped atom 340, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL2.pdb.gz Skipped atom 422, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL2.pdb.gz Skipped atom 424, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL2.pdb.gz Skipped atom 426, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL2.pdb.gz Skipped atom 428, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL2.pdb.gz Skipped atom 446, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL2.pdb.gz Skipped atom 448, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL2.pdb.gz Skipped atom 450, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL2.pdb.gz Skipped atom 452, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL2.pdb.gz Skipped atom 514, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL2.pdb.gz Skipped atom 516, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL2.pdb.gz Skipped atom 518, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL2.pdb.gz Skipped atom 520, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL2.pdb.gz # WARNING: incomplete conformation T0373 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL2 # request to SCWRL produces command: ulimit -t 133 ; scwrl3 -i /var/tmp/to_scwrl_1557641038.pdb -s /var/tmp/to_scwrl_1557641038.seq -o /var/tmp/from_scwrl_1557641038.pdb > /var/tmp/scwrl_1557641038.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1557641038.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 Skipped atom 547, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL3.pdb.gz # WARNING: incomplete conformation T0373 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL3 # request to SCWRL produces command: ulimit -t 133 ; scwrl3 -i /var/tmp/to_scwrl_298605527.pdb -s /var/tmp/to_scwrl_298605527.seq -o /var/tmp/from_scwrl_298605527.pdb > /var/tmp/scwrl_298605527.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_298605527.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 T0373 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL4 # request to SCWRL produces command: ulimit -t 133 ; scwrl3 -i /var/tmp/to_scwrl_2548782.pdb -s /var/tmp/to_scwrl_2548782.seq -o /var/tmp/from_scwrl_2548782.pdb > /var/tmp/scwrl_2548782.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2548782.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 Skipped atom 110, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL5.pdb.gz Skipped atom 112, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL5.pdb.gz Skipped atom 114, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL5.pdb.gz Skipped atom 116, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL5.pdb.gz Skipped atom 198, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL5.pdb.gz Skipped atom 200, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL5.pdb.gz Skipped atom 202, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL5.pdb.gz Skipped atom 204, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL5.pdb.gz Skipped atom 334, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL5.pdb.gz Skipped atom 336, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL5.pdb.gz Skipped atom 338, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL5.pdb.gz Skipped atom 340, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL5.pdb.gz Skipped atom 386, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL5.pdb.gz Skipped atom 388, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL5.pdb.gz Skipped atom 390, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL5.pdb.gz Skipped atom 392, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL5.pdb.gz Skipped atom 422, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL5.pdb.gz Skipped atom 424, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL5.pdb.gz Skipped atom 426, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL5.pdb.gz Skipped atom 428, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL5.pdb.gz Skipped atom 478, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL5.pdb.gz Skipped atom 480, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL5.pdb.gz Skipped atom 482, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL5.pdb.gz Skipped atom 484, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL5.pdb.gz Skipped atom 514, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL5.pdb.gz Skipped atom 516, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL5.pdb.gz Skipped atom 518, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL5.pdb.gz Skipped atom 520, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL5.pdb.gz # WARNING: incomplete conformation T0373 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL5 # request to SCWRL produces command: ulimit -t 133 ; scwrl3 -i /var/tmp/to_scwrl_1941197709.pdb -s /var/tmp/to_scwrl_1941197709.seq -o /var/tmp/from_scwrl_1941197709.pdb > /var/tmp/scwrl_1941197709.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1941197709.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 Skipped atom 179, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL1.pdb.gz Skipped atom 267, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL1.pdb.gz Skipped atom 269, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL1.pdb.gz Skipped atom 271, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL1.pdb.gz Skipped atom 273, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL1.pdb.gz # WARNING: incomplete conformation T0373 can't currently be optimized by undertaker # naming current conformation SAM-T99_AL1 # request to SCWRL produces command: ulimit -t 133 ; scwrl3 -i /var/tmp/to_scwrl_1645262020.pdb -s /var/tmp/to_scwrl_1645262020.seq -o /var/tmp/from_scwrl_1645262020.pdb > /var/tmp/scwrl_1645262020.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1645262020.pdb # conformation set from SCWRL output # naming current conformation SAM-T99_AL1-scwrl # ReadConformPDB reading from PDB file servers/SAM-T99_AL2.pdb.gz looking for model 1 Skipped atom 231, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL2.pdb.gz Skipped atom 264, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL2.pdb.gz # WARNING: incomplete conformation T0373 can't currently be optimized by undertaker # naming current conformation SAM-T99_AL2 # request to SCWRL produces command: ulimit -t 133 ; scwrl3 -i /var/tmp/to_scwrl_1943145089.pdb -s /var/tmp/to_scwrl_1943145089.seq -o /var/tmp/from_scwrl_1943145089.pdb > /var/tmp/scwrl_1943145089.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1943145089.pdb # conformation set from SCWRL output # naming current conformation SAM-T99_AL2-scwrl # ReadConformPDB reading from PDB file servers/SAM-T99_AL3.pdb.gz looking for model 1 Skipped atom 151, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL3.pdb.gz Skipped atom 268, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL3.pdb.gz Skipped atom 428, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL3.pdb.gz Skipped atom 430, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL3.pdb.gz Skipped atom 432, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL3.pdb.gz Skipped atom 434, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL3.pdb.gz # WARNING: incomplete conformation T0373 can't currently be optimized by undertaker # naming current conformation SAM-T99_AL3 # request to SCWRL produces command: ulimit -t 133 ; scwrl3 -i /var/tmp/to_scwrl_682160036.pdb -s /var/tmp/to_scwrl_682160036.seq -o /var/tmp/from_scwrl_682160036.pdb > /var/tmp/scwrl_682160036.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_682160036.pdb # conformation set from SCWRL output # naming current conformation SAM-T99_AL3-scwrl # ReadConformPDB reading from PDB file servers/SAM-T99_AL4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0373 can't currently be optimized by undertaker # naming current conformation SAM-T99_AL4 # request to SCWRL produces command: ulimit -t 133 ; scwrl3 -i /var/tmp/to_scwrl_2069912510.pdb -s /var/tmp/to_scwrl_2069912510.seq -o /var/tmp/from_scwrl_2069912510.pdb > /var/tmp/scwrl_2069912510.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2069912510.pdb # conformation set from SCWRL output # naming current conformation SAM-T99_AL4-scwrl # ReadConformPDB reading from PDB file servers/SAM-T99_AL5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0373 can't currently be optimized by undertaker # naming current conformation SAM-T99_AL5 # request to SCWRL produces command: ulimit -t 133 ; scwrl3 -i /var/tmp/to_scwrl_1087896999.pdb -s /var/tmp/to_scwrl_1087896999.seq -o /var/tmp/from_scwrl_1087896999.pdb > /var/tmp/scwrl_1087896999.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1087896999.pdb # conformation set from SCWRL output # naming current conformation SAM-T99_AL5-scwrl # ReadConformPDB reading from PDB file servers/SAM_T06_server_TS1.pdb.gz looking for model 1 # Found a chain break before 133 # copying to AlignedFragments data structure # naming current conformation SAM_T06_server_TS1 # request to SCWRL produces command: ulimit -t 133 ; scwrl3 -i /var/tmp/to_scwrl_465707541.pdb -s /var/tmp/to_scwrl_465707541.seq -o /var/tmp/from_scwrl_465707541.pdb > /var/tmp/scwrl_465707541.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_465707541.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 T0373 can't currently be optimized by undertaker # naming current conformation SAM_T06_server_TS2 # request to SCWRL produces command: ulimit -t 133 ; scwrl3 -i /var/tmp/to_scwrl_1723576525.pdb -s /var/tmp/to_scwrl_1723576525.seq -o /var/tmp/from_scwrl_1723576525.pdb > /var/tmp/scwrl_1723576525.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1723576525.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 T0373 can't currently be optimized by undertaker # naming current conformation SAM_T06_server_TS3 # request to SCWRL produces command: ulimit -t 133 ; scwrl3 -i /var/tmp/to_scwrl_2053792012.pdb -s /var/tmp/to_scwrl_2053792012.seq -o /var/tmp/from_scwrl_2053792012.pdb > /var/tmp/scwrl_2053792012.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2053792012.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 T0373 can't currently be optimized by undertaker # naming current conformation SAM_T06_server_TS4 # request to SCWRL produces command: ulimit -t 133 ; scwrl3 -i /var/tmp/to_scwrl_255495234.pdb -s /var/tmp/to_scwrl_255495234.seq -o /var/tmp/from_scwrl_255495234.pdb > /var/tmp/scwrl_255495234.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_255495234.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 T0373 can't currently be optimized by undertaker # naming current conformation SAM_T06_server_TS5 # request to SCWRL produces command: ulimit -t 133 ; scwrl3 -i /var/tmp/to_scwrl_135034872.pdb -s /var/tmp/to_scwrl_135034872.seq -o /var/tmp/from_scwrl_135034872.pdb > /var/tmp/scwrl_135034872.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_135034872.pdb # conformation set from SCWRL output # naming current conformation SAM_T06_server_TS5-scwrl # ReadConformPDB reading from PDB file servers/SP3_TS1.pdb.gz looking for model 1 # Found a chain break before 105 # copying to AlignedFragments data structure # naming current conformation SP3_TS1 # request to SCWRL produces command: ulimit -t 133 ; scwrl3 -i /var/tmp/to_scwrl_710011166.pdb -s /var/tmp/to_scwrl_710011166.seq -o /var/tmp/from_scwrl_710011166.pdb > /var/tmp/scwrl_710011166.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_710011166.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 # naming current conformation SP3_TS2 # request to SCWRL produces command: ulimit -t 133 ; scwrl3 -i /var/tmp/to_scwrl_1070784285.pdb -s /var/tmp/to_scwrl_1070784285.seq -o /var/tmp/from_scwrl_1070784285.pdb > /var/tmp/scwrl_1070784285.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1070784285.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 # naming current conformation SP3_TS3 # request to SCWRL produces command: ulimit -t 133 ; scwrl3 -i /var/tmp/to_scwrl_258531413.pdb -s /var/tmp/to_scwrl_258531413.seq -o /var/tmp/from_scwrl_258531413.pdb > /var/tmp/scwrl_258531413.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_258531413.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 118 # copying to AlignedFragments data structure # naming current conformation SP3_TS4 # request to SCWRL produces command: ulimit -t 133 ; scwrl3 -i /var/tmp/to_scwrl_814463133.pdb -s /var/tmp/to_scwrl_814463133.seq -o /var/tmp/from_scwrl_814463133.pdb > /var/tmp/scwrl_814463133.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_814463133.pdb # conformation set from SCWRL output # naming current conformation SP3_TS4-scwrl # ReadConformPDB reading from PDB file servers/SP3_TS5.pdb.gz looking for model 1 # Found a chain break before 122 # copying to AlignedFragments data structure # naming current conformation SP3_TS5 # request to SCWRL produces command: ulimit -t 133 ; scwrl3 -i /var/tmp/to_scwrl_1121349539.pdb -s /var/tmp/to_scwrl_1121349539.seq -o /var/tmp/from_scwrl_1121349539.pdb > /var/tmp/scwrl_1121349539.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1121349539.pdb # conformation set from SCWRL output # naming current conformation SP3_TS5-scwrl # ReadConformPDB reading from PDB file servers/SP4_TS1.pdb.gz looking for model 1 # Found a chain break before 105 # copying to AlignedFragments data structure # naming current conformation SP4_TS1 # request to SCWRL produces command: ulimit -t 133 ; scwrl3 -i /var/tmp/to_scwrl_1152519638.pdb -s /var/tmp/to_scwrl_1152519638.seq -o /var/tmp/from_scwrl_1152519638.pdb > /var/tmp/scwrl_1152519638.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1152519638.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 48 # copying to AlignedFragments data structure # naming current conformation SP4_TS2 # request to SCWRL produces command: ulimit -t 133 ; scwrl3 -i /var/tmp/to_scwrl_1196881721.pdb -s /var/tmp/to_scwrl_1196881721.seq -o /var/tmp/from_scwrl_1196881721.pdb > /var/tmp/scwrl_1196881721.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1196881721.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 133 ; scwrl3 -i /var/tmp/to_scwrl_766384663.pdb -s /var/tmp/to_scwrl_766384663.seq -o /var/tmp/from_scwrl_766384663.pdb > /var/tmp/scwrl_766384663.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_766384663.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 31 # copying to AlignedFragments data structure # naming current conformation SP4_TS4 # request to SCWRL produces command: ulimit -t 133 ; scwrl3 -i /var/tmp/to_scwrl_1288509313.pdb -s /var/tmp/to_scwrl_1288509313.seq -o /var/tmp/from_scwrl_1288509313.pdb > /var/tmp/scwrl_1288509313.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1288509313.pdb # conformation set from SCWRL output # naming current conformation SP4_TS4-scwrl # ReadConformPDB reading from PDB file servers/SP4_TS5.pdb.gz looking for model 1 # Found a chain break before 122 # copying to AlignedFragments data structure # naming current conformation SP4_TS5 # request to SCWRL produces command: ulimit -t 133 ; scwrl3 -i /var/tmp/to_scwrl_259022242.pdb -s /var/tmp/to_scwrl_259022242.seq -o /var/tmp/from_scwrl_259022242.pdb > /var/tmp/scwrl_259022242.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_259022242.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 105 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS1 # request to SCWRL produces command: ulimit -t 133 ; scwrl3 -i /var/tmp/to_scwrl_377068212.pdb -s /var/tmp/to_scwrl_377068212.seq -o /var/tmp/from_scwrl_377068212.pdb > /var/tmp/scwrl_377068212.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_377068212.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 133 ; scwrl3 -i /var/tmp/to_scwrl_1195197030.pdb -s /var/tmp/to_scwrl_1195197030.seq -o /var/tmp/from_scwrl_1195197030.pdb > /var/tmp/scwrl_1195197030.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1195197030.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 # naming current conformation SPARKS2_TS3 # request to SCWRL produces command: ulimit -t 133 ; scwrl3 -i /var/tmp/to_scwrl_453153550.pdb -s /var/tmp/to_scwrl_453153550.seq -o /var/tmp/from_scwrl_453153550.pdb > /var/tmp/scwrl_453153550.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_453153550.pdb # conformation set from SCWRL output # naming current conformation SPARKS2_TS3-scwrl # ReadConformPDB reading from PDB file servers/SPARKS2_TS4.pdb.gz looking for model 1 # Found a chain break before 31 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS4 # request to SCWRL produces command: ulimit -t 133 ; scwrl3 -i /var/tmp/to_scwrl_1998039523.pdb -s /var/tmp/to_scwrl_1998039523.seq -o /var/tmp/from_scwrl_1998039523.pdb > /var/tmp/scwrl_1998039523.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1998039523.pdb # conformation set from SCWRL output # naming current conformation SPARKS2_TS4-scwrl # ReadConformPDB reading from PDB file servers/SPARKS2_TS5.pdb.gz looking for model 1 # Found a chain break before 122 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS5 # request to SCWRL produces command: ulimit -t 133 ; scwrl3 -i /var/tmp/to_scwrl_732123916.pdb -s /var/tmp/to_scwrl_732123916.seq -o /var/tmp/from_scwrl_732123916.pdb > /var/tmp/scwrl_732123916.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_732123916.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 T0373 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS1 # request to SCWRL produces command: ulimit -t 133 ; scwrl3 -i /var/tmp/to_scwrl_1026600945.pdb -s /var/tmp/to_scwrl_1026600945.seq -o /var/tmp/from_scwrl_1026600945.pdb > /var/tmp/scwrl_1026600945.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1026600945.pdb # conformation set from SCWRL output # naming current conformation UNI-EID_bnmx_TS1-scwrl # ReadConformPDB reading from PDB file servers/UNI-EID_bnmx_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0373 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS2 # request to SCWRL produces command: ulimit -t 133 ; scwrl3 -i /var/tmp/to_scwrl_40577093.pdb -s /var/tmp/to_scwrl_40577093.seq -o /var/tmp/from_scwrl_40577093.pdb > /var/tmp/scwrl_40577093.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_40577093.pdb # conformation set from SCWRL output # naming current conformation UNI-EID_bnmx_TS2-scwrl # ReadConformPDB reading from PDB file servers/UNI-EID_bnmx_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0373 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS3 # request to SCWRL produces command: ulimit -t 133 ; scwrl3 -i /var/tmp/to_scwrl_142281308.pdb -s /var/tmp/to_scwrl_142281308.seq -o /var/tmp/from_scwrl_142281308.pdb > /var/tmp/scwrl_142281308.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_142281308.pdb # conformation set from SCWRL output # naming current conformation UNI-EID_bnmx_TS3-scwrl # ReadConformPDB reading from PDB file servers/UNI-EID_bnmx_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0373 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS4 # request to SCWRL produces command: ulimit -t 133 ; scwrl3 -i /var/tmp/to_scwrl_1325206471.pdb -s /var/tmp/to_scwrl_1325206471.seq -o /var/tmp/from_scwrl_1325206471.pdb > /var/tmp/scwrl_1325206471.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1325206471.pdb # conformation set from SCWRL output # naming current conformation UNI-EID_bnmx_TS4-scwrl # ReadConformPDB reading from PDB file servers/UNI-EID_bnmx_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0373 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS5 # request to SCWRL produces command: ulimit -t 133 ; scwrl3 -i /var/tmp/to_scwrl_43125875.pdb -s /var/tmp/to_scwrl_43125875.seq -o /var/tmp/from_scwrl_43125875.pdb > /var/tmp/scwrl_43125875.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_43125875.pdb # conformation set from SCWRL output # naming current conformation UNI-EID_bnmx_TS5-scwrl # ReadConformPDB reading from PDB file servers/UNI-EID_expm_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0373 can't currently be optimized by undertaker # naming current conformation UNI-EID_expm_TS1 # request to SCWRL produces command: ulimit -t 133 ; scwrl3 -i /var/tmp/to_scwrl_2083479017.pdb -s /var/tmp/to_scwrl_2083479017.seq -o /var/tmp/from_scwrl_2083479017.pdb > /var/tmp/scwrl_2083479017.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2083479017.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 Skipped atom 547, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL1.pdb.gz # WARNING: incomplete conformation T0373 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL1 # request to SCWRL produces command: ulimit -t 133 ; scwrl3 -i /var/tmp/to_scwrl_822984846.pdb -s /var/tmp/to_scwrl_822984846.seq -o /var/tmp/from_scwrl_822984846.pdb > /var/tmp/scwrl_822984846.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_822984846.pdb # conformation set from SCWRL output # naming current conformation UNI-EID_sfst_AL1-scwrl # ReadConformPDB reading from PDB file servers/UNI-EID_sfst_AL2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0373 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL2 # request to SCWRL produces command: ulimit -t 133 ; scwrl3 -i /var/tmp/to_scwrl_1986270964.pdb -s /var/tmp/to_scwrl_1986270964.seq -o /var/tmp/from_scwrl_1986270964.pdb > /var/tmp/scwrl_1986270964.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1986270964.pdb # conformation set from SCWRL output # naming current conformation UNI-EID_sfst_AL2-scwrl # ReadConformPDB reading from PDB file servers/UNI-EID_sfst_AL3.pdb.gz looking for model 1 Skipped atom 54, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL3.pdb.gz Skipped atom 56, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL3.pdb.gz Skipped atom 58, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL3.pdb.gz Skipped atom 60, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL3.pdb.gz Skipped atom 130, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL3.pdb.gz Skipped atom 132, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL3.pdb.gz Skipped atom 134, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL3.pdb.gz Skipped atom 136, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL3.pdb.gz Skipped atom 194, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL3.pdb.gz Skipped atom 196, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL3.pdb.gz Skipped atom 198, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL3.pdb.gz Skipped atom 200, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL3.pdb.gz Skipped atom 234, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL3.pdb.gz Skipped atom 236, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL3.pdb.gz Skipped atom 238, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL3.pdb.gz Skipped atom 240, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL3.pdb.gz Skipped atom 334, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL3.pdb.gz Skipped atom 336, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL3.pdb.gz Skipped atom 338, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL3.pdb.gz Skipped atom 340, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL3.pdb.gz Skipped atom 422, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL3.pdb.gz Skipped atom 424, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL3.pdb.gz Skipped atom 426, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL3.pdb.gz Skipped atom 428, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL3.pdb.gz Skipped atom 446, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL3.pdb.gz Skipped atom 448, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL3.pdb.gz Skipped atom 450, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL3.pdb.gz Skipped atom 452, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL3.pdb.gz Skipped atom 514, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL3.pdb.gz Skipped atom 516, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL3.pdb.gz Skipped atom 518, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL3.pdb.gz Skipped atom 520, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL3.pdb.gz # WARNING: incomplete conformation T0373 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL3 # request to SCWRL produces command: ulimit -t 133 ; scwrl3 -i /var/tmp/to_scwrl_618155406.pdb -s /var/tmp/to_scwrl_618155406.seq -o /var/tmp/from_scwrl_618155406.pdb > /var/tmp/scwrl_618155406.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_618155406.pdb # conformation set from SCWRL output # naming current conformation UNI-EID_sfst_AL3-scwrl # ReadConformPDB reading from PDB file servers/UNI-EID_sfst_AL4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0373 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL4 # request to SCWRL produces command: ulimit -t 133 ; scwrl3 -i /var/tmp/to_scwrl_745413709.pdb -s /var/tmp/to_scwrl_745413709.seq -o /var/tmp/from_scwrl_745413709.pdb > /var/tmp/scwrl_745413709.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_745413709.pdb # conformation set from SCWRL output # naming current conformation UNI-EID_sfst_AL4-scwrl # ReadConformPDB reading from PDB file servers/UNI-EID_sfst_AL5.pdb.gz looking for model 1 Skipped atom 330, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL5.pdb.gz Skipped atom 332, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL5.pdb.gz Skipped atom 334, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL5.pdb.gz Skipped atom 336, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL5.pdb.gz Skipped atom 450, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL5.pdb.gz Skipped atom 452, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL5.pdb.gz Skipped atom 454, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL5.pdb.gz Skipped atom 456, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL5.pdb.gz Skipped atom 530, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL5.pdb.gz Skipped atom 532, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL5.pdb.gz Skipped atom 534, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL5.pdb.gz Skipped atom 536, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL5.pdb.gz # WARNING: incomplete conformation T0373 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL5 # request to SCWRL produces command: ulimit -t 133 ; scwrl3 -i /var/tmp/to_scwrl_926684317.pdb -s /var/tmp/to_scwrl_926684317.seq -o /var/tmp/from_scwrl_926684317.pdb > /var/tmp/scwrl_926684317.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_926684317.pdb # conformation set from SCWRL output # naming current conformation UNI-EID_sfst_AL5-scwrl # ReadConformPDB reading from PDB file servers/Zhang-Server_TS1.pdb.gz looking for model 1 # Found a chain break before 121 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS1 # request to SCWRL produces command: ulimit -t 133 ; scwrl3 -i /var/tmp/to_scwrl_1083862946.pdb -s /var/tmp/to_scwrl_1083862946.seq -o /var/tmp/from_scwrl_1083862946.pdb > /var/tmp/scwrl_1083862946.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1083862946.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 26 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS2 # request to SCWRL produces command: ulimit -t 133 ; scwrl3 -i /var/tmp/to_scwrl_321506587.pdb -s /var/tmp/to_scwrl_321506587.seq -o /var/tmp/from_scwrl_321506587.pdb > /var/tmp/scwrl_321506587.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_321506587.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 121 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS3 # request to SCWRL produces command: ulimit -t 133 ; scwrl3 -i /var/tmp/to_scwrl_832992682.pdb -s /var/tmp/to_scwrl_832992682.seq -o /var/tmp/from_scwrl_832992682.pdb > /var/tmp/scwrl_832992682.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_832992682.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 120 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS4 # request to SCWRL produces command: ulimit -t 133 ; scwrl3 -i /var/tmp/to_scwrl_1339358180.pdb -s /var/tmp/to_scwrl_1339358180.seq -o /var/tmp/from_scwrl_1339358180.pdb > /var/tmp/scwrl_1339358180.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1339358180.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 105 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS5 # request to SCWRL produces command: ulimit -t 133 ; scwrl3 -i /var/tmp/to_scwrl_456541459.pdb -s /var/tmp/to_scwrl_456541459.seq -o /var/tmp/from_scwrl_456541459.pdb > /var/tmp/scwrl_456541459.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_456541459.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 # WARNING: incomplete conformation T0373 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation beautshot_TS1 # request to SCWRL produces command: ulimit -t 133 ; scwrl3 -i /var/tmp/to_scwrl_1543003848.pdb -s /var/tmp/to_scwrl_1543003848.seq -o /var/tmp/from_scwrl_1543003848.pdb > /var/tmp/scwrl_1543003848.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1543003848.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 T0373 can't currently be optimized by undertaker # naming current conformation beautshotbase_TS1 # request to SCWRL produces command: ulimit -t 133 ; scwrl3 -i /var/tmp/to_scwrl_262658819.pdb -s /var/tmp/to_scwrl_262658819.seq -o /var/tmp/from_scwrl_262658819.pdb > /var/tmp/scwrl_262658819.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_262658819.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 T0373 can't currently be optimized by undertaker # naming current conformation forecast-s_AL1 # request to SCWRL produces command: ulimit -t 133 ; scwrl3 -i /var/tmp/to_scwrl_715072873.pdb -s /var/tmp/to_scwrl_715072873.seq -o /var/tmp/from_scwrl_715072873.pdb > /var/tmp/scwrl_715072873.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_715072873.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 T0373 can't currently be optimized by undertaker # naming current conformation forecast-s_AL2 # request to SCWRL produces command: ulimit -t 133 ; scwrl3 -i /var/tmp/to_scwrl_209983334.pdb -s /var/tmp/to_scwrl_209983334.seq -o /var/tmp/from_scwrl_209983334.pdb > /var/tmp/scwrl_209983334.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_209983334.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 T0373 can't currently be optimized by undertaker # naming current conformation forecast-s_AL3 # request to SCWRL produces command: ulimit -t 133 ; scwrl3 -i /var/tmp/to_scwrl_1384008358.pdb -s /var/tmp/to_scwrl_1384008358.seq -o /var/tmp/from_scwrl_1384008358.pdb > /var/tmp/scwrl_1384008358.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1384008358.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 T0373 can't currently be optimized by undertaker # naming current conformation forecast-s_AL4 # request to SCWRL produces command: ulimit -t 133 ; scwrl3 -i /var/tmp/to_scwrl_1867592511.pdb -s /var/tmp/to_scwrl_1867592511.seq -o /var/tmp/from_scwrl_1867592511.pdb > /var/tmp/scwrl_1867592511.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1867592511.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 T0373 can't currently be optimized by undertaker # naming current conformation forecast-s_AL5 # request to SCWRL produces command: ulimit -t 133 ; scwrl3 -i /var/tmp/to_scwrl_1406865055.pdb -s /var/tmp/to_scwrl_1406865055.seq -o /var/tmp/from_scwrl_1406865055.pdb > /var/tmp/scwrl_1406865055.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1406865055.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 31 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS1 # request to SCWRL produces command: ulimit -t 133 ; scwrl3 -i /var/tmp/to_scwrl_2909374.pdb -s /var/tmp/to_scwrl_2909374.seq -o /var/tmp/from_scwrl_2909374.pdb > /var/tmp/scwrl_2909374.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2909374.pdb # conformation set from SCWRL output # naming current conformation karypis.srv.2_TS1-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv.2_TS2.pdb.gz looking for model 1 # Found a chain break before 119 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS2 # request to SCWRL produces command: ulimit -t 133 ; scwrl3 -i /var/tmp/to_scwrl_1008618178.pdb -s /var/tmp/to_scwrl_1008618178.seq -o /var/tmp/from_scwrl_1008618178.pdb > /var/tmp/scwrl_1008618178.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1008618178.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 31 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS3 # request to SCWRL produces command: ulimit -t 133 ; scwrl3 -i /var/tmp/to_scwrl_1665887297.pdb -s /var/tmp/to_scwrl_1665887297.seq -o /var/tmp/from_scwrl_1665887297.pdb > /var/tmp/scwrl_1665887297.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1665887297.pdb # conformation set from SCWRL output # naming current conformation karypis.srv.2_TS3-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv.2_TS4.pdb.gz looking for model 1 # Found a chain break before 122 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS4 # request to SCWRL produces command: ulimit -t 133 ; scwrl3 -i /var/tmp/to_scwrl_379977586.pdb -s /var/tmp/to_scwrl_379977586.seq -o /var/tmp/from_scwrl_379977586.pdb > /var/tmp/scwrl_379977586.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_379977586.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 # naming current conformation karypis.srv.2_TS5 # request to SCWRL produces command: ulimit -t 133 ; scwrl3 -i /var/tmp/to_scwrl_56331561.pdb -s /var/tmp/to_scwrl_56331561.seq -o /var/tmp/from_scwrl_56331561.pdb > /var/tmp/scwrl_56331561.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_56331561.pdb # conformation set from SCWRL output # naming current conformation karypis.srv.2_TS5-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0373 can't currently be optimized by undertaker # naming current conformation karypis.srv_TS1 # request to SCWRL produces command: ulimit -t 133 ; scwrl3 -i /var/tmp/to_scwrl_2119040847.pdb -s /var/tmp/to_scwrl_2119040847.seq -o /var/tmp/from_scwrl_2119040847.pdb > /var/tmp/scwrl_2119040847.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2119040847.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 # naming current conformation karypis.srv_TS2 # request to SCWRL produces command: ulimit -t 133 ; scwrl3 -i /var/tmp/to_scwrl_230533462.pdb -s /var/tmp/to_scwrl_230533462.seq -o /var/tmp/from_scwrl_230533462.pdb > /var/tmp/scwrl_230533462.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_230533462.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 T0373 can't currently be optimized by undertaker # naming current conformation karypis.srv_TS3 # request to SCWRL produces command: ulimit -t 133 ; scwrl3 -i /var/tmp/to_scwrl_788455478.pdb -s /var/tmp/to_scwrl_788455478.seq -o /var/tmp/from_scwrl_788455478.pdb > /var/tmp/scwrl_788455478.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_788455478.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 T0373 can't currently be optimized by undertaker # naming current conformation karypis.srv_TS4 # request to SCWRL produces command: ulimit -t 133 ; scwrl3 -i /var/tmp/to_scwrl_998158146.pdb -s /var/tmp/to_scwrl_998158146.seq -o /var/tmp/from_scwrl_998158146.pdb > /var/tmp/scwrl_998158146.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_998158146.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 T0373 can't currently be optimized by undertaker # naming current conformation karypis.srv_TS5 # request to SCWRL produces command: ulimit -t 133 ; scwrl3 -i /var/tmp/to_scwrl_271110555.pdb -s /var/tmp/to_scwrl_271110555.seq -o /var/tmp/from_scwrl_271110555.pdb > /var/tmp/scwrl_271110555.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_271110555.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 133 ; scwrl3 -i /var/tmp/to_scwrl_930736786.pdb -s /var/tmp/to_scwrl_930736786.seq -o /var/tmp/from_scwrl_930736786.pdb > /var/tmp/scwrl_930736786.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_930736786.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 133 ; scwrl3 -i /var/tmp/to_scwrl_175880970.pdb -s /var/tmp/to_scwrl_175880970.seq -o /var/tmp/from_scwrl_175880970.pdb > /var/tmp/scwrl_175880970.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_175880970.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 133 ; scwrl3 -i /var/tmp/to_scwrl_314236431.pdb -s /var/tmp/to_scwrl_314236431.seq -o /var/tmp/from_scwrl_314236431.pdb > /var/tmp/scwrl_314236431.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_314236431.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 133 ; scwrl3 -i /var/tmp/to_scwrl_866732156.pdb -s /var/tmp/to_scwrl_866732156.seq -o /var/tmp/from_scwrl_866732156.pdb > /var/tmp/scwrl_866732156.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_866732156.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 133 ; scwrl3 -i /var/tmp/to_scwrl_998865816.pdb -s /var/tmp/to_scwrl_998865816.seq -o /var/tmp/from_scwrl_998865816.pdb > /var/tmp/scwrl_998865816.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_998865816.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 T0373 can't currently be optimized by undertaker # naming current conformation mGen-3D_TS1 # request to SCWRL produces command: ulimit -t 133 ; scwrl3 -i /var/tmp/to_scwrl_153023748.pdb -s /var/tmp/to_scwrl_153023748.seq -o /var/tmp/from_scwrl_153023748.pdb > /var/tmp/scwrl_153023748.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_153023748.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 T0373 can't currently be optimized by undertaker # naming current conformation nFOLD_TS1 # request to SCWRL produces command: ulimit -t 133 ; scwrl3 -i /var/tmp/to_scwrl_1484887562.pdb -s /var/tmp/to_scwrl_1484887562.seq -o /var/tmp/from_scwrl_1484887562.pdb > /var/tmp/scwrl_1484887562.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1484887562.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 T0373 can't currently be optimized by undertaker # naming current conformation nFOLD_TS2 # request to SCWRL produces command: ulimit -t 133 ; scwrl3 -i /var/tmp/to_scwrl_1744279525.pdb -s /var/tmp/to_scwrl_1744279525.seq -o /var/tmp/from_scwrl_1744279525.pdb > /var/tmp/scwrl_1744279525.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1744279525.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 T0373 can't currently be optimized by undertaker # naming current conformation nFOLD_TS3 # request to SCWRL produces command: ulimit -t 133 ; scwrl3 -i /var/tmp/to_scwrl_1079708065.pdb -s /var/tmp/to_scwrl_1079708065.seq -o /var/tmp/from_scwrl_1079708065.pdb > /var/tmp/scwrl_1079708065.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1079708065.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 T0373 can't currently be optimized by undertaker # naming current conformation nFOLD_TS4 # request to SCWRL produces command: ulimit -t 133 ; scwrl3 -i /var/tmp/to_scwrl_421266862.pdb -s /var/tmp/to_scwrl_421266862.seq -o /var/tmp/from_scwrl_421266862.pdb > /var/tmp/scwrl_421266862.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_421266862.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 T0373 can't currently be optimized by undertaker # naming current conformation nFOLD_TS5 # request to SCWRL produces command: ulimit -t 133 ; scwrl3 -i /var/tmp/to_scwrl_2065786112.pdb -s /var/tmp/to_scwrl_2065786112.seq -o /var/tmp/from_scwrl_2065786112.pdb > /var/tmp/scwrl_2065786112.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2065786112.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 T0373 can't currently be optimized by undertaker # naming current conformation panther2_TS1 # request to SCWRL produces command: ulimit -t 133 ; scwrl3 -i /var/tmp/to_scwrl_1912700747.pdb -s /var/tmp/to_scwrl_1912700747.seq -o /var/tmp/from_scwrl_1912700747.pdb > /var/tmp/scwrl_1912700747.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1912700747.pdb # conformation set from SCWRL output # naming current conformation panther2_TS1-scwrl # ReadConformPDB reading from PDB file servers/panther3_TS1.pdb.gz looking for model 1 WARNING: atoms too close: (T0373)D45.N and (T0373)A57.N only 0.000 apart, marking (T0373)A57.N as missing WARNING: atoms too close: (T0373)D45.CA and (T0373)A57.CA only 0.000 apart, marking (T0373)A57.CA as missing WARNING: atoms too close: (T0373)D45.CB and (T0373)A57.CB only 0.000 apart, marking (T0373)A57.CB as missing WARNING: atoms too close: (T0373)D45.O and (T0373)A57.O only 0.000 apart, marking (T0373)A57.O as missing WARNING: atoms too close: (T0373)D45.C and (T0373)A57.C only 0.000 apart, marking (T0373)A57.C as missing WARNING: atoms too close: (T0373)A57.N and (T0373)A58.N only 0.000 apart, marking (T0373)A57.N as missing WARNING: atoms too close: (T0373)D45.N and (T0373)A58.N only 0.000 apart, marking (T0373)A58.N as missing WARNING: atoms too close: (T0373)A57.CA and (T0373)A58.CA only 0.000 apart, marking (T0373)A58.CA as missing WARNING: atoms too close: (T0373)D45.CA and (T0373)A58.CA only 0.000 apart, marking (T0373)A58.CA as missing WARNING: atoms too close: (T0373)A57.CB and (T0373)A58.CB only 0.000 apart, marking (T0373)A58.CB as missing WARNING: atoms too close: (T0373)D45.CB and (T0373)A58.CB only 0.000 apart, marking (T0373)A58.CB as missing WARNING: atoms too close: (T0373)A57.O and (T0373)A58.O only 0.000 apart, marking (T0373)A58.O as missing WARNING: atoms too close: (T0373)D45.O and (T0373)A58.O only 0.000 apart, marking (T0373)A58.O as missing WARNING: atoms too close: (T0373)A57.C and (T0373)A58.C only 0.000 apart, marking (T0373)A58.C as missing WARNING: atoms too close: (T0373)D45.C and (T0373)A58.C only 0.000 apart, marking (T0373)A58.C as missing WARNING: atoms too close: (T0373)A58.N and (T0373)A59.N only 0.000 apart, marking (T0373)A58.N as missing WARNING: atoms too close: (T0373)A57.N and (T0373)A59.N only 0.000 apart, marking (T0373)A57.N as missing WARNING: atoms too close: (T0373)D45.N and (T0373)A59.N only 0.000 apart, marking (T0373)A59.N as missing WARNING: atoms too close: (T0373)A58.CA and (T0373)A59.CA only 0.000 apart, marking (T0373)A59.CA as missing WARNING: atoms too close: (T0373)A57.CA and (T0373)A59.CA only 0.000 apart, marking (T0373)A59.CA as missing WARNING: atoms too close: (T0373)D45.CA and (T0373)A59.CA only 0.000 apart, marking (T0373)A59.CA as missing WARNING: atoms too close: (T0373)A58.CB and (T0373)A59.CB only 0.000 apart, marking (T0373)A59.CB as missing WARNING: atoms too close: (T0373)A57.CB and (T0373)A59.CB only 0.000 apart, marking (T0373)A59.CB as missing WARNING: atoms too close: (T0373)D45.CB and (T0373)A59.CB only 0.000 apart, marking (T0373)A59.CB as missing WARNING: atoms too close: (T0373)A58.O and (T0373)A59.O only 0.000 apart, marking (T0373)A59.O as missing WARNING: atoms too close: (T0373)A57.O and (T0373)A59.O only 0.000 apart, marking (T0373)A59.O as missing WARNING: atoms too close: (T0373)D45.O and (T0373)A59.O only 0.000 apart, marking (T0373)A59.O as missing WARNING: atoms too close: (T0373)A58.C and (T0373)A59.C only 0.000 apart, marking (T0373)A59.C as missing WARNING: atoms too close: (T0373)A57.C and (T0373)A59.C only 0.000 apart, marking (T0373)A59.C as missing WARNING: atoms too close: (T0373)D45.C and (T0373)A59.C only 0.000 apart, marking (T0373)A59.C as missing # WARNING: incomplete conformation T0373 can't currently be optimized by undertaker # naming current conformation panther3_TS1 # request to SCWRL produces command: ulimit -t 133 ; scwrl3 -i /var/tmp/to_scwrl_1760625043.pdb -s /var/tmp/to_scwrl_1760625043.seq -o /var/tmp/from_scwrl_1760625043.pdb > /var/tmp/scwrl_1760625043.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1760625043.pdb # conformation set from SCWRL output # naming current conformation panther3_TS1-scwrl # ReadConformPDB reading from PDB file servers/shub_TS1.pdb.gz looking for model 1 # Found a chain break before 132 # copying to AlignedFragments data structure # naming current conformation shub_TS1 # request to SCWRL produces command: ulimit -t 133 ; scwrl3 -i /var/tmp/to_scwrl_374843925.pdb -s /var/tmp/to_scwrl_374843925.seq -o /var/tmp/from_scwrl_374843925.pdb > /var/tmp/scwrl_374843925.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_374843925.pdb # conformation set from SCWRL output # naming current conformation shub_TS1-scwrl # command:CPU_time= 52.837 sec, elapsed time= 864.954 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 64.044 real_cost = -63.914 shub_TS1 costs 64.044 real_cost = -64.715 panther3_TS1-scwrl costs 88.316 real_cost = 256.963 panther3_TS1 costs 88.265 real_cost = 251.637 panther2_TS1-scwrl costs 67.222 real_cost = 34.748 panther2_TS1 costs 67.206 real_cost = 33.646 nFOLD_TS5-scwrl costs 48.294 real_cost = -6.128 nFOLD_TS5 costs 48.207 real_cost = 45.840 nFOLD_TS4-scwrl costs 47.753 real_cost = -24.642 nFOLD_TS4 costs 47.578 real_cost = 20.208 nFOLD_TS3-scwrl costs 39.866 real_cost = -4.545 nFOLD_TS3 costs 39.704 real_cost = 41.229 nFOLD_TS2-scwrl costs 45.010 real_cost = -83.533 nFOLD_TS2 costs 44.812 real_cost = -16.688 nFOLD_TS1-scwrl costs 40.703 real_cost = 8.571 nFOLD_TS1 costs 40.681 real_cost = 58.820 mGen-3D_TS1-scwrl costs 27.948 real_cost = -92.508 mGen-3D_TS1 costs 27.925 real_cost = -26.233 keasar-server_TS5-scwrl costs 36.694 real_cost = -76.746 keasar-server_TS5 costs 36.694 real_cost = -65.010 keasar-server_TS4-scwrl costs 45.553 real_cost = -46.238 keasar-server_TS4 costs 45.553 real_cost = -30.153 keasar-server_TS3-scwrl costs 43.210 real_cost = -72.178 keasar-server_TS3 costs 43.210 real_cost = -52.364 keasar-server_TS2-scwrl costs 47.027 real_cost = 12.526 keasar-server_TS2 costs 47.027 real_cost = 21.161 keasar-server_TS1-scwrl costs 44.323 real_cost = -53.693 keasar-server_TS1 costs 44.323 real_cost = -42.707 karypis.srv_TS5-scwrl costs 65.645 real_cost = 22.063 karypis.srv_TS5 costs 65.590 real_cost = 25.866 karypis.srv_TS4-scwrl costs 70.110 real_cost = 58.006 karypis.srv_TS4 costs 70.102 real_cost = 54.664 karypis.srv_TS3-scwrl costs 59.705 real_cost = 14.314 karypis.srv_TS3 costs 59.720 real_cost = 14.420 karypis.srv_TS2-scwrl costs 38.965 real_cost = -78.005 karypis.srv_TS2 costs 38.965 real_cost = -78.005 karypis.srv_TS1-scwrl costs 37.078 real_cost = -51.448 karypis.srv_TS1 costs 37.052 real_cost = -54.092 karypis.srv.2_TS5-scwrl costs 42.293 real_cost = -83.387 karypis.srv.2_TS5 costs 42.293 real_cost = -83.387 karypis.srv.2_TS4-scwrl costs 39.839 real_cost = -93.086 karypis.srv.2_TS4 costs 39.839 real_cost = -93.086 karypis.srv.2_TS3-scwrl costs 19.255 real_cost = -73.873 karypis.srv.2_TS3 costs 19.255 real_cost = -73.873 karypis.srv.2_TS2-scwrl costs 24.549 real_cost = -76.284 karypis.srv.2_TS2 costs 24.549 real_cost = -76.284 karypis.srv.2_TS1-scwrl costs 31.395 real_cost = -67.920 karypis.srv.2_TS1 costs 31.395 real_cost = -67.920 forecast-s_AL5-scwrl costs 62.522 real_cost = 28.203 forecast-s_AL5 costs 62.496 real_cost = 117.434 forecast-s_AL4-scwrl costs 58.448 real_cost = 30.094 forecast-s_AL4 costs 58.375 real_cost = 80.585 forecast-s_AL3-scwrl costs 40.694 real_cost = -31.759 forecast-s_AL3 costs 40.716 real_cost = 60.578 forecast-s_AL2-scwrl costs 55.096 real_cost = 18.512 forecast-s_AL2 costs 54.872 real_cost = 48.357 forecast-s_AL1-scwrl costs 45.574 real_cost = -91.964 forecast-s_AL1 costs 45.409 real_cost = 2.331 beautshotbase_TS1-scwrl costs 55.168 real_cost = -90.345 beautshotbase_TS1 costs 55.135 real_cost = -90.603 beautshot_TS1-scwrl costs 58.398 real_cost = -64.533 beautshot_TS1 costs 58.398 real_cost = -60.749 Zhang-Server_TS5-scwrl costs 30.673 real_cost = -146.437 Zhang-Server_TS5 costs 30.673 real_cost = -146.437 Zhang-Server_TS4-scwrl costs 29.499 real_cost = -128.983 Zhang-Server_TS4 costs 29.499 real_cost = -128.983 Zhang-Server_TS3-scwrl costs 16.797 real_cost = -129.480 Zhang-Server_TS3 costs 16.797 real_cost = -129.480 Zhang-Server_TS2-scwrl costs 20.627 real_cost = -128.176 Zhang-Server_TS2 costs 20.627 real_cost = -128.176 Zhang-Server_TS1-scwrl costs 18.966 real_cost = -128.442 Zhang-Server_TS1 costs 18.966 real_cost = -128.442 UNI-EID_sfst_AL5-scwrl costs 31.778 real_cost = -92.399 UNI-EID_sfst_AL5 costs 31.798 real_cost = -9.444 UNI-EID_sfst_AL4-scwrl costs 30.320 real_cost = -95.956 UNI-EID_sfst_AL4 costs 30.377 real_cost = -9.883 UNI-EID_sfst_AL3-scwrl costs 52.554 real_cost = -53.239 UNI-EID_sfst_AL3 costs 52.508 real_cost = 27.686 UNI-EID_sfst_AL2-scwrl costs 48.883 real_cost = -88.962 UNI-EID_sfst_AL2 costs 48.896 real_cost = -11.019 UNI-EID_sfst_AL1-scwrl costs 35.445 real_cost = -42.162 UNI-EID_sfst_AL1 costs 35.451 real_cost = 45.278 UNI-EID_expm_TS1-scwrl costs 46.053 real_cost = -59.128 UNI-EID_expm_TS1 costs 46.063 real_cost = 13.078 UNI-EID_bnmx_TS5-scwrl costs 29.162 real_cost = -94.728 UNI-EID_bnmx_TS5 costs 29.205 real_cost = -6.363 UNI-EID_bnmx_TS4-scwrl costs 30.320 real_cost = -95.956 UNI-EID_bnmx_TS4 costs 30.377 real_cost = -9.883 UNI-EID_bnmx_TS3-scwrl costs 48.000 real_cost = -59.890 UNI-EID_bnmx_TS3 costs 48.007 real_cost = 27.508 UNI-EID_bnmx_TS2-scwrl costs 49.962 real_cost = -89.741 UNI-EID_bnmx_TS2 costs 49.973 real_cost = -4.805 UNI-EID_bnmx_TS1-scwrl costs 36.925 real_cost = -45.027 UNI-EID_bnmx_TS1 costs 36.990 real_cost = 43.542 SPARKS2_TS5-scwrl costs 38.302 real_cost = -109.302 SPARKS2_TS5 costs 38.302 real_cost = -105.794 SPARKS2_TS4-scwrl costs 48.833 real_cost = -29.419 SPARKS2_TS4 costs 48.833 real_cost = -23.109 SPARKS2_TS3-scwrl costs 20.836 real_cost = -105.640 SPARKS2_TS3 costs 20.836 real_cost = -100.229 SPARKS2_TS2-scwrl costs 41.857 real_cost = -77.022 SPARKS2_TS2 costs 41.857 real_cost = -74.988 SPARKS2_TS1-scwrl costs 32.969 real_cost = -66.583 SPARKS2_TS1 costs 32.969 real_cost = -63.308 SP4_TS5-scwrl costs 40.036 real_cost = -102.069 SP4_TS5 costs 40.036 real_cost = -100.437 SP4_TS4-scwrl costs 48.038 real_cost = -29.405 SP4_TS4 costs 48.038 real_cost = -21.650 SP4_TS3-scwrl costs 37.083 real_cost = -99.465 SP4_TS3 costs 37.083 real_cost = -91.079 SP4_TS2-scwrl costs 19.780 real_cost = -104.904 SP4_TS2 costs 19.780 real_cost = -93.526 SP4_TS1-scwrl costs 40.273 real_cost = -73.123 SP4_TS1 costs 40.273 real_cost = -73.257 SP3_TS5-scwrl costs 36.870 real_cost = -93.494 SP3_TS5 costs 36.870 real_cost = -88.029 SP3_TS4-scwrl costs 47.620 real_cost = -28.880 SP3_TS4 costs 47.620 real_cost = -28.672 SP3_TS3-scwrl costs 41.857 real_cost = -77.022 SP3_TS3 costs 41.857 real_cost = -74.988 SP3_TS2-scwrl costs 20.836 real_cost = -105.640 SP3_TS2 costs 20.836 real_cost = -100.229 SP3_TS1-scwrl costs 32.969 real_cost = -66.583 SP3_TS1 costs 32.969 real_cost = -63.308 SAM_T06_server_TS5-scwrl costs 71.328 real_cost = 90.090 SAM_T06_server_TS5 costs 71.061 real_cost = 26.759 SAM_T06_server_TS4-scwrl costs 40.312 real_cost = -4.760 SAM_T06_server_TS4 costs 40.301 real_cost = -30.661 SAM_T06_server_TS3-scwrl costs 78.828 real_cost = 83.705 SAM_T06_server_TS3 costs 78.675 real_cost = 15.818 SAM_T06_server_TS2-scwrl costs 45.218 real_cost = -15.974 SAM_T06_server_TS2 costs 45.152 real_cost = -52.737 SAM_T06_server_TS1-scwrl costs 30.813 real_cost = -67.381 SAM_T06_server_TS1 costs 30.813 real_cost = -67.128 SAM-T99_AL5-scwrl costs 66.925 real_cost = 46.066 SAM-T99_AL5 costs 66.985 real_cost = 122.085 SAM-T99_AL4-scwrl costs 65.536 real_cost = 47.103 SAM-T99_AL4 costs 65.543 real_cost = 121.482 SAM-T99_AL3-scwrl costs 55.078 real_cost = -41.542 SAM-T99_AL3 costs 55.046 real_cost = 19.663 SAM-T99_AL2-scwrl costs 52.452 real_cost = -34.676 SAM-T99_AL2 costs 52.415 real_cost = 30.642 SAM-T99_AL1-scwrl costs 54.098 real_cost = -24.035 SAM-T99_AL1 costs 54.073 real_cost = 35.266 SAM-T02_AL5-scwrl costs 41.318 real_cost = -16.346 SAM-T02_AL5 costs 41.215 real_cost = 60.361 SAM-T02_AL4-scwrl costs 35.827 real_cost = -18.324 SAM-T02_AL4 costs 35.853 real_cost = 64.185 SAM-T02_AL3-scwrl costs 38.631 real_cost = -24.182 SAM-T02_AL3 costs 38.519 real_cost = 58.107 SAM-T02_AL2-scwrl costs 44.260 real_cost = -50.918 SAM-T02_AL2 costs 44.227 real_cost = 38.032 SAM-T02_AL1-scwrl costs 37.870 real_cost = -75.477 SAM-T02_AL1 costs 37.745 real_cost = 7.901 ROKKY_TS5-scwrl costs 63.848 real_cost = 3.860 ROKKY_TS5 costs 63.848 real_cost = 10.737 ROKKY_TS4-scwrl costs 45.411 real_cost = -54.550 ROKKY_TS4 costs 45.411 real_cost = -52.808 ROKKY_TS3-scwrl costs 40.159 real_cost = -41.828 ROKKY_TS3 costs 40.159 real_cost = -32.170 ROKKY_TS2-scwrl costs 36.732 real_cost = -30.044 ROKKY_TS2 costs 36.732 real_cost = -29.388 ROKKY_TS1-scwrl costs 50.089 real_cost = -81.228 ROKKY_TS1 costs 50.089 real_cost = -75.643 ROBETTA_TS5-scwrl costs 34.751 real_cost = -42.222 ROBETTA_TS5 costs 34.751 real_cost = -43.250 ROBETTA_TS4-scwrl costs 22.549 real_cost = -113.616 ROBETTA_TS4 costs 22.549 real_cost = -108.003 ROBETTA_TS3-scwrl costs 33.060 real_cost = -62.518 ROBETTA_TS3 costs 33.060 real_cost = -58.903 ROBETTA_TS2-scwrl costs 23.941 real_cost = -119.730 ROBETTA_TS2 costs 23.941 real_cost = -116.960 ROBETTA_TS1-scwrl costs 28.138 real_cost = -112.015 ROBETTA_TS1 costs 28.138 real_cost = -105.339 RAPTOR_TS5-scwrl costs 36.201 real_cost = -43.164 RAPTOR_TS5 costs 36.201 real_cost = -42.258 RAPTOR_TS4-scwrl costs 32.961 real_cost = -55.466 RAPTOR_TS4 costs 32.961 real_cost = -49.434 RAPTOR_TS3-scwrl costs 22.753 real_cost = -76.323 RAPTOR_TS3 costs 22.753 real_cost = -66.655 RAPTOR_TS2-scwrl costs 41.865 real_cost = -95.337 RAPTOR_TS2 costs 41.865 real_cost = -82.684 RAPTOR_TS1-scwrl costs 42.252 real_cost = -50.142 RAPTOR_TS1 costs 42.252 real_cost = -46.359 RAPTORESS_TS5-scwrl costs 41.861 real_cost = -33.730 RAPTORESS_TS5 costs 41.861 real_cost = -29.657 RAPTORESS_TS4-scwrl costs 41.662 real_cost = -49.808 RAPTORESS_TS4 costs 41.662 real_cost = -48.216 RAPTORESS_TS3-scwrl costs 28.067 real_cost = -56.741 RAPTORESS_TS3 costs 28.067 real_cost = -50.424 RAPTORESS_TS2-scwrl costs 43.247 real_cost = -91.297 RAPTORESS_TS2 costs 43.247 real_cost = -81.445 RAPTORESS_TS1-scwrl costs 46.719 real_cost = -47.729 RAPTORESS_TS1 costs 46.719 real_cost = -39.666 RAPTOR-ACE_TS5-scwrl costs 42.276 real_cost = -73.076 RAPTOR-ACE_TS5 costs 42.276 real_cost = -64.753 RAPTOR-ACE_TS4-scwrl costs 40.400 real_cost = -66.533 RAPTOR-ACE_TS4 costs 40.400 real_cost = -58.354 RAPTOR-ACE_TS3-scwrl costs 39.282 real_cost = -30.179 RAPTOR-ACE_TS3 costs 39.282 real_cost = -25.613 RAPTOR-ACE_TS2-scwrl costs 43.262 real_cost = -42.296 RAPTOR-ACE_TS2 costs 43.262 real_cost = -44.802 RAPTOR-ACE_TS1-scwrl costs 37.990 real_cost = -42.894 RAPTOR-ACE_TS1 costs 37.990 real_cost = -38.883 Pmodeller6_TS5-scwrl costs 43.875 real_cost = -68.455 Pmodeller6_TS5 costs 43.862 real_cost = -69.971 Pmodeller6_TS4-scwrl costs 34.751 real_cost = -42.222 Pmodeller6_TS4 costs 34.751 real_cost = -43.250 Pmodeller6_TS3-scwrl costs 30.544 real_cost = -82.879 Pmodeller6_TS3 costs 30.534 real_cost = -85.986 Pmodeller6_TS2-scwrl costs 33.060 real_cost = -62.518 Pmodeller6_TS2 costs 33.060 real_cost = -58.903 Pmodeller6_TS1-scwrl costs 58.769 real_cost = -19.019 Pmodeller6_TS1 costs 58.760 real_cost = -26.452 Phyre-2_TS5-scwrl costs 36.836 real_cost = -50.418 Phyre-2_TS5 costs 36.836 real_cost = -53.427 Phyre-2_TS4-scwrl costs 37.858 real_cost = -49.846 Phyre-2_TS4 costs 37.858 real_cost = -52.844 Phyre-2_TS3-scwrl costs 38.266 real_cost = -47.102 Phyre-2_TS3 costs 38.266 real_cost = -49.870 Phyre-2_TS2-scwrl costs 39.475 real_cost = -44.642 Phyre-2_TS2 costs 39.475 real_cost = -47.455 Phyre-2_TS1-scwrl costs 39.364 real_cost = -73.989 Phyre-2_TS1 costs 39.364 real_cost = -71.404 Phyre-1_TS1-scwrl costs 37.286 real_cost = -37.704 Phyre-1_TS1 costs 37.261 real_cost = -41.651 Pcons6_TS5-scwrl costs 37.721 real_cost = -102.768 Pcons6_TS5 costs 37.675 real_cost = -102.246 Pcons6_TS4-scwrl costs 31.066 real_cost = -45.735 Pcons6_TS4 costs 31.084 real_cost = -44.359 Pcons6_TS3-scwrl costs 29.062 real_cost = -97.889 Pcons6_TS3 costs 29.053 real_cost = -102.259 Pcons6_TS2-scwrl costs 29.300 real_cost = -112.560 Pcons6_TS2 costs 29.291 real_cost = -117.522 Pcons6_TS1-scwrl costs 27.959 real_cost = -132.651 Pcons6_TS1 costs 27.943 real_cost = -135.077 PROTINFO_TS5-scwrl costs 39.352 real_cost = -112.107 PROTINFO_TS5 costs 39.352 real_cost = -109.099 PROTINFO_TS4-scwrl costs 50.965 real_cost = -61.585 PROTINFO_TS4 costs 50.965 real_cost = -58.985 PROTINFO_TS3-scwrl costs 43.390 real_cost = -99.676 PROTINFO_TS3 costs 43.390 real_cost = -99.878 PROTINFO_TS2-scwrl costs 43.306 real_cost = -102.272 PROTINFO_TS2 costs 43.306 real_cost = -99.663 PROTINFO_TS1-scwrl costs 29.984 real_cost = -70.744 PROTINFO_TS1 costs 29.984 real_cost = -65.735 POMYSL_TS5-scwrl costs 118.503 real_cost = 303.630 POMYSL_TS5 costs 118.469 real_cost = 313.309 POMYSL_TS4-scwrl costs 150.991 real_cost = 353.943 POMYSL_TS4 costs 151.015 real_cost = 374.228 POMYSL_TS3-scwrl costs 134.590 real_cost = 338.389 POMYSL_TS3 costs 134.540 real_cost = 348.666 POMYSL_TS2-scwrl costs 122.705 real_cost = 359.942 POMYSL_TS2 costs 122.709 real_cost = 356.662 POMYSL_TS1-scwrl costs 124.577 real_cost = 322.150 POMYSL_TS1 costs 124.527 real_cost = 333.812 NN_PUT_lab_TS1-scwrl costs 42.555 real_cost = -54.942 NN_PUT_lab_TS1 costs 42.559 real_cost = -58.412 MetaTasser_TS3-scwrl costs 33.543 real_cost = -94.643 MetaTasser_TS3 costs 33.543 real_cost = -91.423 MetaTasser_TS2-scwrl costs 28.988 real_cost = -97.596 MetaTasser_TS2 costs 28.988 real_cost = -97.108 MetaTasser_TS1-scwrl costs 24.530 real_cost = -102.490 MetaTasser_TS1 costs 24.530 real_cost = -102.679 Ma-OPUS-server_TS5-scwrl costs 33.654 real_cost = -65.754 Ma-OPUS-server_TS5 costs 33.654 real_cost = -62.081 Ma-OPUS-server_TS4-scwrl costs 38.947 real_cost = -92.755 Ma-OPUS-server_TS4 costs 38.947 real_cost = -89.350 Ma-OPUS-server_TS3-scwrl costs 34.584 real_cost = -91.722 Ma-OPUS-server_TS3 costs 34.584 real_cost = -88.604 Ma-OPUS-server_TS2-scwrl costs 30.123 real_cost = -81.722 Ma-OPUS-server_TS2 costs 30.123 real_cost = -76.604 Ma-OPUS-server_TS1-scwrl costs 27.405 real_cost = -78.235 Ma-OPUS-server_TS1 costs 27.405 real_cost = -69.494 Ma-OPUS-server2_TS5-scwrl costs 25.996 real_cost = -66.089 Ma-OPUS-server2_TS5 costs 25.996 real_cost = -68.311 Ma-OPUS-server2_TS4-scwrl costs 33.654 real_cost = -65.754 Ma-OPUS-server2_TS4 costs 33.654 real_cost = -62.081 Ma-OPUS-server2_TS3-scwrl costs 34.584 real_cost = -91.722 Ma-OPUS-server2_TS3 costs 34.584 real_cost = -88.604 Ma-OPUS-server2_TS2-scwrl costs 27.405 real_cost = -78.235 Ma-OPUS-server2_TS2 costs 27.405 real_cost = -69.494 Ma-OPUS-server2_TS1-scwrl costs 22.669 real_cost = -97.695 Ma-OPUS-server2_TS1 costs 22.669 real_cost = -89.588 MIG_FROST_AL1-scwrl costs 31.292 real_cost = -90.269 MIG_FROST_AL1 costs 31.168 real_cost = -6.555 LOOPP_TS5-scwrl costs 35.202 real_cost = 41.743 LOOPP_TS5 costs 35.205 real_cost = 34.663 LOOPP_TS4-scwrl costs 42.941 real_cost = -4.795 LOOPP_TS4 costs 42.953 real_cost = -4.386 LOOPP_TS3-scwrl costs 48.413 real_cost = -27.979 LOOPP_TS3 costs 48.417 real_cost = -29.742 LOOPP_TS2-scwrl costs 34.594 real_cost = -91.521 LOOPP_TS2 costs 34.594 real_cost = -92.384 LOOPP_TS1-scwrl costs 42.555 real_cost = -54.942 LOOPP_TS1 costs 42.559 real_cost = -58.412 Huber-Torda-Server_TS5-scwrl costs 67.247 real_cost = 30.193 Huber-Torda-Server_TS5 costs 67.138 real_cost = 58.542 Huber-Torda-Server_TS4-scwrl costs 56.578 real_cost = 56.979 Huber-Torda-Server_TS4 costs 56.640 real_cost = 91.164 Huber-Torda-Server_TS3-scwrl costs 57.336 real_cost = 37.463 Huber-Torda-Server_TS3 costs 57.289 real_cost = 94.509 Huber-Torda-Server_TS2-scwrl costs 61.398 real_cost = 75.719 Huber-Torda-Server_TS2 costs 61.244 real_cost = 110.766 Huber-Torda-Server_TS1-scwrl costs 48.153 real_cost = 26.971 Huber-Torda-Server_TS1 costs 48.161 real_cost = 86.868 HHpred3_TS1-scwrl costs 45.023 real_cost = -68.783 HHpred3_TS1 costs 45.023 real_cost = -67.537 HHpred2_TS1-scwrl costs 40.673 real_cost = -63.288 HHpred2_TS1 costs 40.673 real_cost = -56.707 HHpred1_TS1-scwrl costs 24.556 real_cost = -85.446 HHpred1_TS1 costs 24.556 real_cost = -75.903 GeneSilicoMetaServer_TS5-scwrl costs 48.683 real_cost = -93.952 GeneSilicoMetaServer_TS5 costs 48.685 real_cost = -83.753 GeneSilicoMetaServer_TS4-scwrl costs 45.218 real_cost = -68.548 GeneSilicoMetaServer_TS4 costs 45.224 real_cost = -63.023 GeneSilicoMetaServer_TS3-scwrl costs 41.138 real_cost = -59.758 GeneSilicoMetaServer_TS3 costs 41.128 real_cost = -57.011 GeneSilicoMetaServer_TS2-scwrl costs 44.116 real_cost = -61.384 GeneSilicoMetaServer_TS2 costs 44.094 real_cost = -59.775 GeneSilicoMetaServer_TS1-scwrl costs 37.789 real_cost = -91.429 GeneSilicoMetaServer_TS1 costs 37.789 real_cost = -90.321 Frankenstein_TS5-scwrl costs 31.670 real_cost = -37.620 Frankenstein_TS5 costs 31.670 real_cost = -29.783 Frankenstein_TS4-scwrl costs 39.497 real_cost = -96.863 Frankenstein_TS4 costs 39.497 real_cost = -87.569 Frankenstein_TS3-scwrl costs 33.294 real_cost = -30.293 Frankenstein_TS3 costs 33.294 real_cost = -19.693 Frankenstein_TS2-scwrl costs 36.770 real_cost = -38.308 Frankenstein_TS2 costs 36.770 real_cost = -33.025 Frankenstein_TS1-scwrl costs 45.811 real_cost = -61.429 Frankenstein_TS1 costs 45.811 real_cost = -54.246 FUNCTION_TS5-scwrl costs 50.994 real_cost = -42.288 FUNCTION_TS5 costs 50.994 real_cost = -41.119 FUNCTION_TS4-scwrl costs 46.948 real_cost = -68.419 FUNCTION_TS4 costs 46.948 real_cost = -65.025 FUNCTION_TS3-scwrl costs 49.362 real_cost = -3.055 FUNCTION_TS3 costs 49.362 real_cost = 1.008 FUNCTION_TS2-scwrl costs 39.156 real_cost = -69.163 FUNCTION_TS2 costs 39.156 real_cost = -67.868 FUNCTION_TS1-scwrl costs 28.408 real_cost = -117.481 FUNCTION_TS1 costs 28.408 real_cost = -109.223 FUGUE_AL5-scwrl costs 58.374 real_cost = 60.330 FUGUE_AL5 costs 58.477 real_cost = 127.141 FUGUE_AL4-scwrl costs 60.442 real_cost = 25.748 FUGUE_AL4 costs 60.381 real_cost = 91.849 FUGUE_AL3-scwrl costs 42.171 real_cost = -38.410 FUGUE_AL3 costs 42.207 real_cost = 58.916 FUGUE_AL2-scwrl costs 47.054 real_cost = -87.044 FUGUE_AL2 costs 46.985 real_cost = 12.477 FUGUE_AL1-scwrl costs 47.260 real_cost = -55.831 FUGUE_AL1 costs 47.262 real_cost = 37.292 FUGMOD_TS5-scwrl costs 57.860 real_cost = 56.352 FUGMOD_TS5 costs 57.878 real_cost = 65.018 FUGMOD_TS4-scwrl costs 42.217 real_cost = 11.567 FUGMOD_TS4 costs 42.233 real_cost = 16.616 FUGMOD_TS3-scwrl costs 36.873 real_cost = -53.914 FUGMOD_TS3 costs 36.885 real_cost = -51.259 FUGMOD_TS2-scwrl costs 40.214 real_cost = -72.672 FUGMOD_TS2 costs 40.184 real_cost = -60.240 FUGMOD_TS1-scwrl costs 47.597 real_cost = -53.185 FUGMOD_TS1 costs 47.578 real_cost = -54.107 FPSOLVER-SERVER_TS5-scwrl costs 167.431 real_cost = 295.749 FPSOLVER-SERVER_TS5 costs 167.431 real_cost = 294.071 FPSOLVER-SERVER_TS4-scwrl costs 159.725 real_cost = 308.488 FPSOLVER-SERVER_TS4 costs 159.725 real_cost = 309.043 FPSOLVER-SERVER_TS3-scwrl costs 166.500 real_cost = 254.551 FPSOLVER-SERVER_TS3 costs 166.500 real_cost = 257.504 FPSOLVER-SERVER_TS2-scwrl costs 151.375 real_cost = 239.795 FPSOLVER-SERVER_TS2 costs 151.375 real_cost = 242.794 FPSOLVER-SERVER_TS1-scwrl costs 153.309 real_cost = 239.332 FPSOLVER-SERVER_TS1 costs 153.309 real_cost = 247.879 FORTE2_AL5-scwrl costs 48.370 real_cost = 12.964 FORTE2_AL5 costs 48.305 real_cost = 99.395 FORTE2_AL4-scwrl costs 29.908 real_cost = -84.192 FORTE2_AL4 costs 29.846 real_cost = 5.460 FORTE2_AL3-scwrl costs 37.603 real_cost = -31.201 FORTE2_AL3 costs 37.620 real_cost = 55.968 FORTE2_AL2-scwrl costs 26.212 real_cost = -86.809 FORTE2_AL2 costs 26.155 real_cost = 0.632 FORTE2_AL1-scwrl costs 42.998 real_cost = -47.654 FORTE2_AL1 costs 42.967 real_cost = 42.490 FORTE1_AL5-scwrl costs 48.370 real_cost = 12.964 FORTE1_AL5 costs 48.305 real_cost = 99.395 FORTE1_AL4-scwrl costs 29.908 real_cost = -84.192 FORTE1_AL4 costs 29.846 real_cost = 5.460 FORTE1_AL3-scwrl costs 37.603 real_cost = -31.201 FORTE1_AL3 costs 37.620 real_cost = 55.968 FORTE1_AL2-scwrl costs 26.212 real_cost = -86.809 FORTE1_AL2 costs 26.155 real_cost = 0.632 FORTE1_AL1-scwrl costs 42.998 real_cost = -47.654 FORTE1_AL1 costs 42.967 real_cost = 42.490 FOLDpro_TS5-scwrl costs 49.866 real_cost = -34.593 FOLDpro_TS5 costs 49.866 real_cost = -30.731 FOLDpro_TS4-scwrl costs 50.355 real_cost = -42.496 FOLDpro_TS4 costs 50.355 real_cost = -34.043 FOLDpro_TS3-scwrl costs 55.511 real_cost = -57.314 FOLDpro_TS3 costs 55.511 real_cost = -49.380 FOLDpro_TS2-scwrl costs 37.988 real_cost = -72.374 FOLDpro_TS2 costs 37.988 real_cost = -67.493 FOLDpro_TS1-scwrl costs 46.059 real_cost = -89.693 FOLDpro_TS1 costs 46.059 real_cost = -80.667 FAMS_TS5-scwrl costs 28.795 real_cost = -99.912 FAMS_TS5 costs 28.795 real_cost = -96.932 FAMS_TS4-scwrl costs 29.200 real_cost = -93.985 FAMS_TS4 costs 29.200 real_cost = -91.331 FAMS_TS3-scwrl costs 39.156 real_cost = -69.163 FAMS_TS3 costs 39.156 real_cost = -67.868 FAMS_TS2-scwrl costs 41.931 real_cost = -70.962 FAMS_TS2 costs 41.932 real_cost = -69.006 FAMS_TS1-scwrl costs 35.418 real_cost = -76.222 FAMS_TS1 costs 35.418 real_cost = -66.092 FAMSD_TS5-scwrl costs 35.637 real_cost = -100.369 FAMSD_TS5 costs 35.628 real_cost = -97.348 FAMSD_TS4-scwrl costs 36.092 real_cost = -89.402 FAMSD_TS4 costs 36.067 real_cost = -94.178 FAMSD_TS3-scwrl costs 29.381 real_cost = -102.511 FAMSD_TS3 costs 29.372 real_cost = -101.432 FAMSD_TS2-scwrl costs 29.403 real_cost = -117.168 FAMSD_TS2 costs 29.417 real_cost = -116.313 FAMSD_TS1-scwrl costs 19.265 real_cost = -131.525 FAMSD_TS1 costs 19.265 real_cost = -118.664 Distill_TS5-scwrl costs 256.968 real_cost = 361.822 Distill_TS4-scwrl costs 253.159 real_cost = 360.125 Distill_TS3-scwrl costs 255.378 real_cost = 381.657 Distill_TS2-scwrl costs 254.877 real_cost = 375.999 Distill_TS1-scwrl costs 256.444 real_cost = 384.470 CaspIta-FOX_TS5-scwrl costs 43.977 real_cost = 18.369 CaspIta-FOX_TS5 costs 43.966 real_cost = 4.340 CaspIta-FOX_TS4-scwrl costs 32.175 real_cost = -46.493 CaspIta-FOX_TS4 costs 32.186 real_cost = -47.239 CaspIta-FOX_TS3-scwrl costs 27.192 real_cost = -110.997 CaspIta-FOX_TS3 costs 27.183 real_cost = -114.183 CaspIta-FOX_TS2-scwrl costs 41.590 real_cost = -95.873 CaspIta-FOX_TS2 costs 41.577 real_cost = -93.885 CaspIta-FOX_TS1-scwrl costs 39.347 real_cost = -60.808 CaspIta-FOX_TS1 costs 39.335 real_cost = -66.044 CPHmodels_TS1-scwrl costs 71.452 real_cost = 88.903 CPHmodels_TS1 costs 71.481 real_cost = 97.684 CIRCLE_TS5-scwrl costs 29.200 real_cost = -93.985 CIRCLE_TS5 costs 29.200 real_cost = -91.331 CIRCLE_TS4-scwrl costs 41.931 real_cost = -70.962 CIRCLE_TS4 costs 41.932 real_cost = -69.006 CIRCLE_TS3-scwrl costs 28.795 real_cost = -99.912 CIRCLE_TS3 costs 28.795 real_cost = -96.932 CIRCLE_TS2-scwrl costs 42.948 real_cost = -71.303 CIRCLE_TS2 costs 42.948 real_cost = -69.036 CIRCLE_TS1-scwrl costs 27.749 real_cost = -108.915 CIRCLE_TS1 costs 27.749 real_cost = -107.754 Bilab-ENABLE_TS4-scwrl costs 43.909 real_cost = -79.049 Bilab-ENABLE_TS4 costs 43.909 real_cost = -79.049 Bilab-ENABLE_TS3-scwrl costs 45.896 real_cost = -14.425 Bilab-ENABLE_TS3 costs 45.896 real_cost = -14.425 Bilab-ENABLE_TS2-scwrl costs 42.177 real_cost = -23.380 Bilab-ENABLE_TS2 costs 42.177 real_cost = -23.380 Bilab-ENABLE_TS1-scwrl costs 38.086 real_cost = -55.625 Bilab-ENABLE_TS1 costs 38.086 real_cost = -55.625 BayesHH_TS1-scwrl costs 32.951 real_cost = -99.615 BayesHH_TS1 costs 32.951 real_cost = -93.784 ABIpro_TS5-scwrl costs 47.648 real_cost = 225.946 ABIpro_TS5 costs 47.648 real_cost = 225.958 ABIpro_TS4-scwrl costs 45.923 real_cost = 172.563 ABIpro_TS4 costs 45.923 real_cost = 172.936 ABIpro_TS3-scwrl costs 53.318 real_cost = 217.074 ABIpro_TS3 costs 53.318 real_cost = 217.074 ABIpro_TS2-scwrl costs 44.130 real_cost = 228.463 ABIpro_TS2 costs 44.130 real_cost = 228.463 ABIpro_TS1-scwrl costs 60.454 real_cost = 171.148 ABIpro_TS1 costs 60.454 real_cost = 171.151 3Dpro_TS5-scwrl costs 64.780 real_cost = 49.776 3Dpro_TS5 costs 64.780 real_cost = 51.163 3Dpro_TS4-scwrl costs 55.511 real_cost = -57.314 3Dpro_TS4 costs 55.511 real_cost = -49.380 3Dpro_TS3-scwrl costs 36.347 real_cost = -60.076 3Dpro_TS3 costs 36.347 real_cost = -55.329 3Dpro_TS2-scwrl costs 72.830 real_cost = 49.008 3Dpro_TS2 costs 72.830 real_cost = 55.076 3Dpro_TS1-scwrl costs 37.988 real_cost = -72.374 3Dpro_TS1 costs 37.988 real_cost = -67.493 3D-JIGSAW_TS1-scwrl costs 77.762 real_cost = 105.849 3D-JIGSAW_TS1 costs 77.757 real_cost = 125.827 3D-JIGSAW_RECOM_TS1-scwrl costs 77.762 real_cost = 105.849 3D-JIGSAW_RECOM_TS1 costs 77.757 real_cost = 125.827 3D-JIGSAW_POPULUS_TS5-scwrl costs 77.762 real_cost = 105.849 3D-JIGSAW_POPULUS_TS5 costs 77.757 real_cost = 125.827 3D-JIGSAW_POPULUS_TS4-scwrl costs 77.762 real_cost = 105.849 3D-JIGSAW_POPULUS_TS4 costs 77.757 real_cost = 125.827 3D-JIGSAW_POPULUS_TS3-scwrl costs 77.762 real_cost = 105.849 3D-JIGSAW_POPULUS_TS3 costs 77.757 real_cost = 125.827 3D-JIGSAW_POPULUS_TS2-scwrl costs 77.762 real_cost = 105.849 3D-JIGSAW_POPULUS_TS2 costs 77.757 real_cost = 125.827 3D-JIGSAW_POPULUS_TS1-scwrl costs 77.762 real_cost = 105.849 3D-JIGSAW_POPULUS_TS1 costs 77.757 real_cost = 125.827 dimer//dimer-chimera-1-2a61A costs 29.265 real_cost = -51.742 dimer//dimer-7-2fbhA costs 21.607 real_cost = -26.661 dimer//dimer-7-2a61A costs 21.607 real_cost = -27.059 dimer//dimer-7-1lnwA costs 21.607 real_cost = -26.711 dimer//dimer-7-1jgsA costs 21.607 real_cost = -26.698 dimer//dimer-6-2fbhA costs 20.268 real_cost = -11.486 dimer//dimer-6-2a61A costs 20.268 real_cost = -11.596 dimer//dimer-6-1lnwA costs 20.268 real_cost = -11.645 dimer//dimer-6-1jgsA costs 20.268 real_cost = -11.664 dimer//dimer-1-2fbhA costs 29.269 real_cost = 62.294 dimer//dimer-1-2a61A costs 31.597 real_cost = 62.103 dimer//dimer-1-1lnwA costs 31.210 real_cost = 61.350 dimer//dimer-1-1jgsA costs 31.210 real_cost = 61.954 dimer//try9-opt2.unpack costs 18.498 real_cost = -115.948 dimer//try9-opt2.unpack.gromacs0.repack-nonPC costs 18.426 real_cost = -117.125 dimer//try9-opt2.unpack.gromacs0 costs 18.426 real_cost = -115.502 dimer//try9-opt2.repack-nonPC costs 18.498 real_cost = -113.218 dimer//try9-opt2 costs 18.498 real_cost = -115.948 dimer//try9-opt1 costs 17.164 real_cost = -108.952 dimer//try9-opt1-scwrl costs 17.164 real_cost = -108.463 dimer//try8-opt2.unpack costs 28.129 real_cost = -19.697 dimer//try8-opt2.unpack.gromacs0.repack-nonPC costs 22.652 real_cost = -17.736 dimer//try8-opt2.unpack.gromacs0 costs 22.652 real_cost = -18.167 dimer//try8-opt2.repack-nonPC costs 28.129 real_cost = -17.128 dimer//try8-opt2 costs 28.129 real_cost = -19.697 dimer//try8-opt1 costs 31.243 real_cost = -16.956 dimer//try8-opt1-scwrl costs 31.243 real_cost = -17.100 dimer//try7-opt2.unpack costs 21.607 real_cost = -26.678 dimer//try7-opt2.unpack.gromacs0.repack-nonPC costs 21.775 real_cost = -29.650 dimer//try7-opt2.unpack.gromacs0 costs 21.775 real_cost = -29.899 dimer//try7-opt2.repack-nonPC costs 21.607 real_cost = -23.732 dimer//try7-opt2 costs 21.607 real_cost = -26.678 dimer//try7-opt1 costs 22.562 real_cost = -27.098 dimer//try7-opt1-scwrl costs 22.562 real_cost = -24.672 dimer//try6-opt2.unpack costs 20.268 real_cost = -11.653 dimer//try6-opt2.unpack.gromacs0.repack-nonPC costs 15.358 real_cost = -8.800 dimer//try6-opt2.unpack.gromacs0 costs 15.358 real_cost = -10.514 dimer//try6-opt2.repack-nonPC costs 20.268 real_cost = -7.579 dimer//try6-opt2 costs 20.268 real_cost = -11.653 dimer//try6-opt1 costs 19.714 real_cost = -12.967 dimer//try6-opt1-scwrl costs 19.714 real_cost = -11.847 dimer//try5-opt2.unpack costs 19.845 real_cost = -6.952 dimer//try5-opt2.unpack.gromacs0.repack-nonPC costs 17.176 real_cost = -6.666 dimer//try5-opt2.unpack.gromacs0 costs 17.176 real_cost = -6.363 dimer//try5-opt2.repack-nonPC costs 19.845 real_cost = -6.597 dimer//try5-opt2 costs 19.845 real_cost = -6.952 dimer//try5-opt1 costs 18.832 real_cost = -6.223 dimer//try5-opt1-scwrl costs 18.832 real_cost = -6.787 dimer//try4-opt2.unpack costs 26.692 real_cost = 46.718 dimer//try4-opt2.unpack.gromacs0.repack-nonPC costs 18.514 real_cost = 44.067 dimer//try4-opt2.unpack.gromacs0 costs 18.514 real_cost = 44.490 dimer//try4-opt2.repack-nonPC costs 26.692 real_cost = 48.084 dimer//try4-opt2 costs 26.692 real_cost = 46.718 dimer//try4-opt1 costs 24.951 real_cost = 46.955 dimer//try4-opt1-scwrl costs 24.951 real_cost = 47.833 dimer//try3-opt2.unpack costs 24.472 real_cost = 50.254 dimer//try3-opt2.unpack.gromacs0.repack-nonPC costs 18.242 real_cost = 45.040 dimer//try3-opt2.unpack.gromacs0 costs 18.242 real_cost = 49.671 dimer//try3-opt2.repack-nonPC costs 24.472 real_cost = 49.047 dimer//try3-opt2 costs 24.472 real_cost = 50.254 dimer//try3-opt1 costs 25.397 real_cost = 50.885 dimer//try3-opt1-scwrl costs 25.397 real_cost = 48.826 dimer//try2-opt2.unpack costs 28.569 real_cost = 64.503 dimer//try2-opt2.unpack.gromacs0.repack-nonPC costs 21.983 real_cost = 66.621 dimer//try2-opt2.unpack.gromacs0 costs 21.983 real_cost = 66.332 dimer//try2-opt2.repack-nonPC costs 28.569 real_cost = 60.967 dimer//try2-opt2 costs 28.569 real_cost = 64.503 dimer//try2-opt1 costs 29.509 real_cost = 62.197 dimer//try2-opt1-scwrl costs 29.509 real_cost = 62.861 dimer//try1-opt2.unpack costs 29.656 real_cost = 62.123 dimer//try1-opt2.unpack.gromacs0.repack-nonPC costs 22.434 real_cost = 61.129 dimer//try1-opt2.unpack.gromacs0 costs 22.434 real_cost = 61.943 dimer//try1-opt2.repack-nonPC costs 29.656 real_cost = 60.290 dimer//try1-opt2 costs 29.656 real_cost = 62.123 dimer//try1-opt2.gromacs0.repack-nonPC costs 24.471 real_cost = 58.698 dimer//try1-opt2.gromacs0 costs 24.471 real_cost = 59.057 dimer//try1-opt1 costs 28.405 real_cost = 63.740 dimer//try1-opt1-scwrl costs 28.405 real_cost = 64.839 chimera-2-2a61A.pdb.gz costs 32.557 real_cost = -62.932 chimera-1-2a61A.pdb.gz costs 29.265 real_cost = -51.724 T0373.try2-opt2.repack-nonPC.pdb.gz costs 32.401 real_cost = -26.866 T0373.try2-opt2.pdb.gz costs 32.401 real_cost = -27.692 T0373.try2-opt2.gromacs0.repack-nonPC.pdb.gz costs 23.804 real_cost = -23.341 T0373.try2-opt2.gromacs0.pdb.gz costs 23.804 real_cost = -26.028 T0373.try2-opt1.pdb.gz costs 33.118 real_cost = -27.035 T0373.try2-opt1-scwrl.pdb.gz costs 33.118 real_cost = -29.777 T0373.try1-opt2.repack-nonPC.pdb.gz costs 29.296 real_cost = -12.508 T0373.try1-opt2.pdb.gz costs 29.296 real_cost = -13.104 T0373.try1-opt2.gromacs0.repack-nonPC.pdb.gz costs 25.820 real_cost = -13.135 T0373.try1-opt2.gromacs0.pdb.gz costs 25.820 real_cost = -13.752 T0373.try1-opt1.pdb.gz costs 30.636 real_cost = -9.103 T0373.try1-opt1-scwrl.pdb.gz costs 30.636 real_cost = -8.924 ../model5.ts-submitted costs 76.797 real_cost = -1.033 ../model4.ts-submitted costs 41.709 real_cost = -79.679 ../model3.ts-submitted costs 29.269 real_cost = 61.362 ../model2.ts-submitted costs 20.268 real_cost = -11.487 ../model1.ts-submitted costs 18.498 real_cost = -115.937 align5 costs 49.154 real_cost = 20.879 align4 costs 64.393 real_cost = 10.482 align3 costs 36.649 real_cost = -43.778 align2 costs 73.435 real_cost = -5.966 align1 costs 35.954 real_cost = -74.962 T0373.try1-opt2.pdb costs 29.296 real_cost = -13.104 model5-scwrl costs 76.961 real_cost = 62.655 model5.ts-submitted costs 76.797 real_cost = -1.033 model4-scwrl costs 41.735 real_cost = -45.839 model4.ts-submitted costs 41.709 real_cost = -79.679 model3-scwrl costs 29.269 real_cost = 62.057 model3.ts-submitted costs 29.269 real_cost = 61.362 model2-scwrl costs 20.268 real_cost = -15.309 model2.ts-submitted costs 20.268 real_cost = -11.487 model1-scwrl costs 18.498 real_cost = -115.328 model1.ts-submitted costs 18.498 real_cost = -115.939 2hr3A costs 24.827 real_cost = -871.058 # command:CPU_time= 716.195 sec, elapsed time= 1530.741 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/T0373'